USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 814 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 81 GLN : amide:sc= -0.939 K(o=-0.94,f=-2.9!) USER MOD Set 1.2: A 84 THR OG1 : rot -160:sc= 0 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 27 ASN :FLIP amide:sc= -5.25! C(o=-5.7!,f=-5.2!) USER MOD Single : A 1 ARG N :NH3+ -165:sc= -0.12 (180deg=-0.482) USER MOD Single : A 2 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0313) USER MOD Single : A 6 THR OG1 : rot 180:sc=-0.00179 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.51) USER MOD Single : A 14 ASN : amide:sc=-0.00747 X(o=-0.0075,f=0.19) USER MOD Single : A 16 MET CE :methyl -167:sc= 0 (180deg=-0.0725) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 72:sc= 1.05 USER MOD Single : A 20 GLN : amide:sc= -0.0187 K(o=-0.019,f=-1.6!) USER MOD Single : A 22 THR OG1 : rot 47:sc= 0.278 USER MOD Single : A 26 LYS NZ :NH3+ -161:sc= -0.0186 (180deg=-0.171) USER MOD Single : A 31 ASN : amide:sc= -2.41! C(o=-2.4!,f=-13!) USER MOD Single : A 36 THR OG1 : rot 70:sc= 0.146 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot -69:sc= 1.15 USER MOD Single : A 44 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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 53 LYS NZ :NH3+ -110:sc= -0.463 (180deg=-2.94!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS :FLIP no HD1:sc= -1.01 F(o=-1.6,f=-1) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.218 K(o=-0.22,f=-1.1!) USER MOD Single : A 66 HIS : no HD1:sc= -0.404 K(o=-0.4,f=-1.4) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 70 SER OG : rot 180:sc= -0.184 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 166:sc= -0.0113 (180deg=-0.363) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -1.96 X(o=-2,f=-2) USER MOD Single : A 83 ASN : amide:sc=-0.00321 X(o=-0.0032,f=-0.0033) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -24:sc= 0.395 USER MOD Single : A 92 GLN : amide:sc= -0.283 K(o=-0.28,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 53.063 13.668 32.644 1.00 0.00 N ATOM 2 CA ARG A 1 53.513 13.978 33.991 1.00 0.00 C ATOM 3 C ARG A 1 52.322 14.349 34.876 1.00 0.00 C ATOM 4 O ARG A 1 51.978 15.524 35.000 1.00 0.00 O ATOM 5 CB ARG A 1 54.515 15.133 33.985 1.00 0.00 C ATOM 6 CG ARG A 1 55.883 14.671 33.478 1.00 0.00 C ATOM 7 CD ARG A 1 56.040 14.960 31.984 1.00 0.00 C ATOM 8 NE ARG A 1 57.067 14.067 31.401 1.00 0.00 N ATOM 9 CZ ARG A 1 57.766 14.348 30.281 1.00 0.00 C ATOM 10 NH1 ARG A 1 57.554 15.501 29.612 1.00 0.00 N ATOM 11 NH2 ARG A 1 58.659 13.477 29.849 1.00 0.00 N ATOM 0 H1 ARG A 1 53.823 13.180 32.128 1.00 0.00 H new ATOM 0 H2 ARG A 1 52.226 13.053 32.691 1.00 0.00 H new ATOM 0 H3 ARG A 1 52.818 14.549 32.148 1.00 0.00 H new ATOM 0 HA ARG A 1 54.003 13.090 34.389 1.00 0.00 H new ATOM 0 HB2 ARG A 1 54.142 15.939 33.353 1.00 0.00 H new ATOM 0 HB3 ARG A 1 54.614 15.538 34.992 1.00 0.00 H new ATOM 0 HG2 ARG A 1 56.671 15.178 34.035 1.00 0.00 H new ATOM 0 HG3 ARG A 1 56.000 13.603 33.660 1.00 0.00 H new ATOM 0 HD2 ARG A 1 55.087 14.814 31.475 1.00 0.00 H new ATOM 0 HD3 ARG A 1 56.325 16.002 31.835 1.00 0.00 H new ATOM 0 HE ARG A 1 57.258 13.184 31.875 1.00 0.00 H new ATOM 0 HH11 ARG A 1 56.861 16.168 29.952 1.00 0.00 H new ATOM 0 HH12 ARG A 1 58.087 15.705 28.766 1.00 0.00 H new ATOM 0 HH21 ARG A 1 58.812 12.608 30.360 1.00 0.00 H new ATOM 0 HH22 ARG A 1 59.196 13.673 29.004 1.00 0.00 H new ATOM 24 N LYS A 2 51.724 13.326 35.469 1.00 0.00 N ATOM 25 CA LYS A 2 50.578 13.530 36.339 1.00 0.00 C ATOM 26 C LYS A 2 49.417 14.098 35.521 1.00 0.00 C ATOM 27 O LYS A 2 49.607 14.536 34.387 1.00 0.00 O ATOM 28 CB LYS A 2 50.965 14.396 37.540 1.00 0.00 C ATOM 29 CG LYS A 2 51.253 13.531 38.769 1.00 0.00 C ATOM 30 CD LYS A 2 52.612 13.879 39.378 1.00 0.00 C ATOM 31 CE LYS A 2 53.739 13.118 38.676 1.00 0.00 C ATOM 32 NZ LYS A 2 53.790 11.716 39.148 1.00 0.00 N ATOM 0 H LYS A 2 52.012 12.353 35.364 1.00 0.00 H new ATOM 0 HA LYS A 2 50.241 12.580 36.755 1.00 0.00 H new ATOM 0 HB2 LYS A 2 51.845 14.991 37.295 1.00 0.00 H new ATOM 0 HB3 LYS A 2 50.159 15.095 37.764 1.00 0.00 H new ATOM 0 HG2 LYS A 2 50.469 13.677 39.512 1.00 0.00 H new ATOM 0 HG3 LYS A 2 51.235 12.478 38.489 1.00 0.00 H new ATOM 0 HD2 LYS A 2 52.787 14.952 39.296 1.00 0.00 H new ATOM 0 HD3 LYS A 2 52.611 13.636 40.441 1.00 0.00 H new ATOM 0 HE2 LYS A 2 53.583 13.139 37.597 1.00 0.00 H new ATOM 0 HE3 LYS A 2 54.693 13.608 38.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 54.648 11.257 38.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 53.807 11.700 40.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 52.951 11.204 38.808 1.00 0.00 H new ATOM 45 N LEU A 3 48.239 14.072 36.127 1.00 0.00 N ATOM 46 CA LEU A 3 47.047 14.579 35.469 1.00 0.00 C ATOM 47 C LEU A 3 46.828 16.039 35.872 1.00 0.00 C ATOM 48 O LEU A 3 45.852 16.361 36.548 1.00 0.00 O ATOM 49 CB LEU A 3 45.848 13.675 35.761 1.00 0.00 C ATOM 50 CG LEU A 3 45.739 12.409 34.909 1.00 0.00 C ATOM 51 CD1 LEU A 3 45.590 12.758 33.426 1.00 0.00 C ATOM 52 CD2 LEU A 3 46.923 11.474 35.161 1.00 0.00 C ATOM 0 H LEU A 3 48.085 13.708 37.067 1.00 0.00 H new ATOM 0 HA LEU A 3 47.174 14.562 34.387 1.00 0.00 H new ATOM 0 HB2 LEU A 3 45.887 13.381 36.810 1.00 0.00 H new ATOM 0 HB3 LEU A 3 44.937 14.259 35.627 1.00 0.00 H new ATOM 0 HG LEU A 3 44.837 11.874 35.207 1.00 0.00 H new ATOM 0 HD11 LEU A 3 45.515 11.841 32.842 1.00 0.00 H new ATOM 0 HD12 LEU A 3 44.690 13.355 33.281 1.00 0.00 H new ATOM 0 HD13 LEU A 3 46.460 13.327 33.097 1.00 0.00 H new ATOM 0 HD21 LEU A 3 46.820 10.582 34.543 1.00 0.00 H new ATOM 0 HD22 LEU A 3 47.851 11.986 34.908 1.00 0.00 H new ATOM 0 HD23 LEU A 3 46.942 11.187 36.212 1.00 0.00 H new ATOM 64 N GLU A 4 47.754 16.883 35.441 1.00 0.00 N ATOM 65 CA GLU A 4 47.675 18.301 35.748 1.00 0.00 C ATOM 66 C GLU A 4 46.848 19.029 34.686 1.00 0.00 C ATOM 67 O GLU A 4 45.854 19.679 35.006 1.00 0.00 O ATOM 68 CB GLU A 4 49.071 18.914 35.871 1.00 0.00 C ATOM 69 CG GLU A 4 49.787 18.400 37.122 1.00 0.00 C ATOM 70 CD GLU A 4 50.336 19.560 37.955 1.00 0.00 C ATOM 71 OE1 GLU A 4 49.599 20.511 38.256 1.00 0.00 O ATOM 72 OE2 GLU A 4 51.577 19.450 38.292 1.00 0.00 O ATOM 0 H GLU A 4 48.563 16.612 34.882 1.00 0.00 H new ATOM 0 HA GLU A 4 47.177 18.417 36.711 1.00 0.00 H new ATOM 0 HB2 GLU A 4 49.658 18.671 34.986 1.00 0.00 H new ATOM 0 HB3 GLU A 4 48.993 20.000 35.913 1.00 0.00 H new ATOM 0 HG2 GLU A 4 49.096 17.810 37.724 1.00 0.00 H new ATOM 0 HG3 GLU A 4 50.603 17.738 36.832 1.00 0.00 H new ATOM 80 N LEU A 5 47.289 18.896 33.444 1.00 0.00 N ATOM 81 CA LEU A 5 46.603 19.533 32.333 1.00 0.00 C ATOM 82 C LEU A 5 47.234 19.072 31.018 1.00 0.00 C ATOM 83 O LEU A 5 48.281 19.578 30.617 1.00 0.00 O ATOM 84 CB LEU A 5 46.591 21.052 32.511 1.00 0.00 C ATOM 85 CG LEU A 5 47.958 21.718 32.680 1.00 0.00 C ATOM 86 CD1 LEU A 5 47.987 23.090 32.003 1.00 0.00 C ATOM 87 CD2 LEU A 5 48.350 21.799 34.156 1.00 0.00 C ATOM 0 H LEU A 5 48.114 18.356 33.182 1.00 0.00 H new ATOM 0 HA LEU A 5 45.556 19.231 32.307 1.00 0.00 H new ATOM 0 HB2 LEU A 5 46.097 21.495 31.646 1.00 0.00 H new ATOM 0 HB3 LEU A 5 45.982 21.291 33.383 1.00 0.00 H new ATOM 0 HG LEU A 5 48.704 21.098 32.183 1.00 0.00 H new ATOM 0 HD11 LEU A 5 48.970 23.542 32.138 1.00 0.00 H new ATOM 0 HD12 LEU A 5 47.784 22.975 30.938 1.00 0.00 H new ATOM 0 HD13 LEU A 5 47.228 23.732 32.450 1.00 0.00 H new ATOM 0 HD21 LEU A 5 49.326 22.276 34.248 1.00 0.00 H new ATOM 0 HD22 LEU A 5 47.607 22.384 34.698 1.00 0.00 H new ATOM 0 HD23 LEU A 5 48.397 20.794 34.576 1.00 0.00 H new ATOM 99 N THR A 6 46.570 18.117 30.382 1.00 0.00 N ATOM 100 CA THR A 6 47.053 17.583 29.120 1.00 0.00 C ATOM 101 C THR A 6 45.949 17.635 28.062 1.00 0.00 C ATOM 102 O THR A 6 45.583 16.609 27.491 1.00 0.00 O ATOM 103 CB THR A 6 47.583 16.171 29.377 1.00 0.00 C ATOM 104 OG1 THR A 6 46.450 15.459 29.867 1.00 0.00 O ATOM 105 CG2 THR A 6 48.583 16.122 30.534 1.00 0.00 C ATOM 0 H THR A 6 45.702 17.700 30.717 1.00 0.00 H new ATOM 0 HA THR A 6 47.870 18.185 28.722 1.00 0.00 H new ATOM 0 HB THR A 6 48.057 15.791 28.472 1.00 0.00 H new ATOM 0 HG1 THR A 6 46.704 14.532 30.058 1.00 0.00 H new ATOM 0 HG21 THR A 6 48.928 15.097 30.674 1.00 0.00 H new ATOM 0 HG22 THR A 6 49.434 16.763 30.306 1.00 0.00 H new ATOM 0 HG23 THR A 6 48.100 16.470 31.447 1.00 0.00 H new ATOM 113 N LYS A 7 45.449 18.840 27.833 1.00 0.00 N ATOM 114 CA LYS A 7 44.395 19.040 26.854 1.00 0.00 C ATOM 115 C LYS A 7 44.963 18.831 25.449 1.00 0.00 C ATOM 116 O LYS A 7 44.952 19.748 24.628 1.00 0.00 O ATOM 117 CB LYS A 7 43.730 20.403 27.052 1.00 0.00 C ATOM 118 CG LYS A 7 44.747 21.536 26.903 1.00 0.00 C ATOM 119 CD LYS A 7 44.102 22.893 27.192 1.00 0.00 C ATOM 120 CE LYS A 7 43.697 23.595 25.894 1.00 0.00 C ATOM 121 NZ LYS A 7 43.027 24.882 26.187 1.00 0.00 N ATOM 0 H LYS A 7 45.755 19.689 28.309 1.00 0.00 H new ATOM 0 HA LYS A 7 43.604 18.303 26.991 1.00 0.00 H new ATOM 0 HB2 LYS A 7 42.929 20.530 26.324 1.00 0.00 H new ATOM 0 HB3 LYS A 7 43.272 20.448 28.040 1.00 0.00 H new ATOM 0 HG2 LYS A 7 45.581 21.373 27.586 1.00 0.00 H new ATOM 0 HG3 LYS A 7 45.156 21.532 25.893 1.00 0.00 H new ATOM 0 HD2 LYS A 7 43.225 22.755 27.824 1.00 0.00 H new ATOM 0 HD3 LYS A 7 44.800 23.521 27.747 1.00 0.00 H new ATOM 0 HE2 LYS A 7 44.579 23.770 25.278 1.00 0.00 H new ATOM 0 HE3 LYS A 7 43.029 22.953 25.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 42.759 25.345 25.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 42.174 24.708 26.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 43.676 25.499 26.716 1.00 0.00 H new ATOM 134 N ALA A 8 45.448 17.621 25.215 1.00 0.00 N ATOM 135 CA ALA A 8 46.020 17.281 23.923 1.00 0.00 C ATOM 136 C ALA A 8 47.329 18.048 23.732 1.00 0.00 C ATOM 137 O ALA A 8 48.400 17.553 24.080 1.00 0.00 O ATOM 138 CB ALA A 8 45.003 17.579 22.819 1.00 0.00 C ATOM 0 H ALA A 8 45.457 16.864 25.898 1.00 0.00 H new ATOM 0 HA ALA A 8 46.251 16.217 23.874 1.00 0.00 H new ATOM 0 HB1 ALA A 8 45.432 17.324 21.850 1.00 0.00 H new ATOM 0 HB2 ALA A 8 44.103 16.987 22.984 1.00 0.00 H new ATOM 0 HB3 ALA A 8 44.748 18.639 22.835 1.00 0.00 H new ATOM 144 N GLU A 9 47.201 19.246 23.179 1.00 0.00 N ATOM 145 CA GLU A 9 48.361 20.087 22.938 1.00 0.00 C ATOM 146 C GLU A 9 49.165 19.553 21.750 1.00 0.00 C ATOM 147 O GLU A 9 50.276 20.014 21.492 1.00 0.00 O ATOM 148 CB GLU A 9 49.234 20.189 24.190 1.00 0.00 C ATOM 149 CG GLU A 9 49.334 21.638 24.672 1.00 0.00 C ATOM 150 CD GLU A 9 50.765 21.979 25.093 1.00 0.00 C ATOM 151 OE1 GLU A 9 51.471 22.692 24.366 1.00 0.00 O ATOM 152 OE2 GLU A 9 51.136 21.474 26.221 1.00 0.00 O ATOM 0 H GLU A 9 46.311 19.654 22.891 1.00 0.00 H new ATOM 0 HA GLU A 9 48.014 21.091 22.695 1.00 0.00 H new ATOM 0 HB2 GLU A 9 48.816 19.567 24.981 1.00 0.00 H new ATOM 0 HB3 GLU A 9 50.231 19.804 23.975 1.00 0.00 H new ATOM 0 HG2 GLU A 9 49.015 22.312 23.877 1.00 0.00 H new ATOM 0 HG3 GLU A 9 48.657 21.793 25.512 1.00 0.00 H new ATOM 160 N LYS A 10 48.573 18.590 21.060 1.00 0.00 N ATOM 161 CA LYS A 10 49.220 17.989 19.907 1.00 0.00 C ATOM 162 C LYS A 10 48.317 18.144 18.682 1.00 0.00 C ATOM 163 O LYS A 10 48.788 18.480 17.596 1.00 0.00 O ATOM 164 CB LYS A 10 49.609 16.540 20.204 1.00 0.00 C ATOM 165 CG LYS A 10 48.544 15.852 21.061 1.00 0.00 C ATOM 166 CD LYS A 10 48.659 14.329 20.961 1.00 0.00 C ATOM 167 CE LYS A 10 49.914 13.826 21.678 1.00 0.00 C ATOM 168 NZ LYS A 10 49.554 12.844 22.725 1.00 0.00 N ATOM 0 H LYS A 10 47.651 18.211 21.278 1.00 0.00 H new ATOM 0 HA LYS A 10 50.153 18.505 19.683 1.00 0.00 H new ATOM 0 HB2 LYS A 10 49.737 15.995 19.269 1.00 0.00 H new ATOM 0 HB3 LYS A 10 50.568 16.516 20.721 1.00 0.00 H new ATOM 0 HG2 LYS A 10 48.653 16.161 22.101 1.00 0.00 H new ATOM 0 HG3 LYS A 10 47.552 16.167 20.737 1.00 0.00 H new ATOM 0 HD2 LYS A 10 47.775 13.864 21.398 1.00 0.00 H new ATOM 0 HD3 LYS A 10 48.690 14.031 19.913 1.00 0.00 H new ATOM 0 HE2 LYS A 10 50.592 13.367 20.958 1.00 0.00 H new ATOM 0 HE3 LYS A 10 50.445 14.666 22.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 50.417 12.513 23.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 48.925 13.293 23.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 49.067 12.035 22.289 1.00 0.00 H new ATOM 181 N HIS A 11 47.034 17.893 18.897 1.00 0.00 N ATOM 182 CA HIS A 11 46.060 18.000 17.824 1.00 0.00 C ATOM 183 C HIS A 11 46.490 17.118 16.650 1.00 0.00 C ATOM 184 O HIS A 11 46.928 17.623 15.618 1.00 0.00 O ATOM 185 CB HIS A 11 45.853 19.462 17.423 1.00 0.00 C ATOM 186 CG HIS A 11 44.411 19.911 17.460 1.00 0.00 C ATOM 187 ND1 HIS A 11 43.671 20.149 16.315 1.00 0.00 N ATOM 188 CD2 HIS A 11 43.583 20.162 18.514 1.00 0.00 C ATOM 189 CE1 HIS A 11 42.453 20.526 16.676 1.00 0.00 C ATOM 190 NE2 HIS A 11 42.401 20.534 18.039 1.00 0.00 N ATOM 0 H HIS A 11 46.646 17.616 19.799 1.00 0.00 H new ATOM 0 HA HIS A 11 45.092 17.638 18.169 1.00 0.00 H new ATOM 0 HB2 HIS A 11 46.438 20.097 18.089 1.00 0.00 H new ATOM 0 HB3 HIS A 11 46.243 19.611 16.416 1.00 0.00 H new ATOM 0 HD2 HIS A 11 43.845 20.073 19.558 1.00 0.00 H new ATOM 0 HE1 HIS A 11 41.644 20.782 16.008 1.00 0.00 H new ATOM 0 HE2 HIS A 11 41.587 20.785 18.601 1.00 0.00 H new ATOM 198 N VAL A 12 46.349 15.816 16.848 1.00 0.00 N ATOM 199 CA VAL A 12 46.717 14.858 15.819 1.00 0.00 C ATOM 200 C VAL A 12 47.996 15.330 15.124 1.00 0.00 C ATOM 201 O VAL A 12 47.939 15.929 14.051 1.00 0.00 O ATOM 202 CB VAL A 12 45.550 14.656 14.850 1.00 0.00 C ATOM 203 CG1 VAL A 12 44.432 13.840 15.502 1.00 0.00 C ATOM 204 CG2 VAL A 12 45.023 15.999 14.340 1.00 0.00 C ATOM 0 H VAL A 12 45.985 15.402 17.706 1.00 0.00 H new ATOM 0 HA VAL A 12 46.927 13.884 16.261 1.00 0.00 H new ATOM 0 HB VAL A 12 45.919 14.093 13.992 1.00 0.00 H new ATOM 0 HG11 VAL A 12 43.615 13.711 14.793 1.00 0.00 H new ATOM 0 HG12 VAL A 12 44.817 12.863 15.794 1.00 0.00 H new ATOM 0 HG13 VAL A 12 44.066 14.364 16.385 1.00 0.00 H new ATOM 0 HG21 VAL A 12 44.194 15.827 13.653 1.00 0.00 H new ATOM 0 HG22 VAL A 12 44.678 16.598 15.183 1.00 0.00 H new ATOM 0 HG23 VAL A 12 45.821 16.529 13.820 1.00 0.00 H new ATOM 214 N HIS A 13 49.120 15.043 15.764 1.00 0.00 N ATOM 215 CA HIS A 13 50.410 15.430 15.221 1.00 0.00 C ATOM 216 C HIS A 13 50.770 14.515 14.049 1.00 0.00 C ATOM 217 O HIS A 13 50.932 14.979 12.921 1.00 0.00 O ATOM 218 CB HIS A 13 51.480 15.439 16.315 1.00 0.00 C ATOM 219 CG HIS A 13 52.216 16.751 16.443 1.00 0.00 C ATOM 220 ND1 HIS A 13 51.593 17.978 16.293 1.00 0.00 N ATOM 221 CD2 HIS A 13 53.528 17.015 16.710 1.00 0.00 C ATOM 222 CE1 HIS A 13 52.499 18.930 16.462 1.00 0.00 C ATOM 223 NE2 HIS A 13 53.697 18.332 16.720 1.00 0.00 N ATOM 0 H HIS A 13 49.164 14.547 16.654 1.00 0.00 H new ATOM 0 HA HIS A 13 50.355 16.449 14.838 1.00 0.00 H new ATOM 0 HB2 HIS A 13 51.011 15.203 17.270 1.00 0.00 H new ATOM 0 HB3 HIS A 13 52.201 14.648 16.110 1.00 0.00 H new ATOM 0 HD2 HIS A 13 54.298 16.278 16.884 1.00 0.00 H new ATOM 0 HE1 HIS A 13 52.320 19.994 16.405 1.00 0.00 H new ATOM 0 HE2 HIS A 13 54.578 18.817 16.892 1.00 0.00 H new ATOM 231 N ASN A 14 50.883 13.231 14.356 1.00 0.00 N ATOM 232 CA ASN A 14 51.220 12.246 13.342 1.00 0.00 C ATOM 233 C ASN A 14 51.463 10.892 14.012 1.00 0.00 C ATOM 234 O ASN A 14 52.578 10.600 14.442 1.00 0.00 O ATOM 235 CB ASN A 14 52.496 12.639 12.595 1.00 0.00 C ATOM 236 CG ASN A 14 52.223 12.818 11.100 1.00 0.00 C ATOM 237 OD1 ASN A 14 52.019 13.915 10.607 1.00 0.00 O ATOM 238 ND2 ASN A 14 52.231 11.682 10.409 1.00 0.00 N ATOM 0 H ASN A 14 50.747 12.850 15.292 1.00 0.00 H new ATOM 0 HA ASN A 14 50.391 12.192 12.637 1.00 0.00 H new ATOM 0 HB2 ASN A 14 52.893 13.566 13.009 1.00 0.00 H new ATOM 0 HB3 ASN A 14 53.257 11.873 12.740 1.00 0.00 H new ATOM 0 HD21 ASN A 14 52.059 11.695 9.404 1.00 0.00 H new ATOM 0 HD22 ASN A 14 52.409 10.797 10.884 1.00 0.00 H new ATOM 245 N PHE A 15 50.401 10.103 14.082 1.00 0.00 N ATOM 246 CA PHE A 15 50.485 8.788 14.693 1.00 0.00 C ATOM 247 C PHE A 15 50.477 7.688 13.629 1.00 0.00 C ATOM 248 O PHE A 15 51.298 6.774 13.670 1.00 0.00 O ATOM 249 CB PHE A 15 49.251 8.629 15.584 1.00 0.00 C ATOM 250 CG PHE A 15 49.466 7.705 16.785 1.00 0.00 C ATOM 251 CD1 PHE A 15 50.102 8.169 17.894 1.00 0.00 C ATOM 252 CD2 PHE A 15 49.021 6.421 16.743 1.00 0.00 C ATOM 253 CE1 PHE A 15 50.301 7.312 19.009 1.00 0.00 C ATOM 254 CE2 PHE A 15 49.220 5.564 17.858 1.00 0.00 C ATOM 255 CZ PHE A 15 49.855 6.028 18.967 1.00 0.00 C ATOM 0 H PHE A 15 49.478 10.349 13.725 1.00 0.00 H new ATOM 0 HA PHE A 15 51.411 8.700 15.261 1.00 0.00 H new ATOM 0 HB2 PHE A 15 48.947 9.612 15.944 1.00 0.00 H new ATOM 0 HB3 PHE A 15 48.429 8.241 14.983 1.00 0.00 H new ATOM 0 HD1 PHE A 15 50.456 9.189 17.927 1.00 0.00 H new ATOM 0 HD2 PHE A 15 48.516 6.053 15.862 1.00 0.00 H new ATOM 0 HE1 PHE A 15 50.806 7.680 19.890 1.00 0.00 H new ATOM 0 HE2 PHE A 15 48.867 4.544 17.825 1.00 0.00 H new ATOM 0 HZ PHE A 15 50.005 5.376 19.815 1.00 0.00 H new ATOM 265 N MET A 16 49.538 7.812 12.702 1.00 0.00 N ATOM 266 CA MET A 16 49.412 6.840 11.630 1.00 0.00 C ATOM 267 C MET A 16 48.715 7.453 10.413 1.00 0.00 C ATOM 268 O MET A 16 47.701 6.936 9.948 1.00 0.00 O ATOM 269 CB MET A 16 48.608 5.635 12.125 1.00 0.00 C ATOM 270 CG MET A 16 47.337 6.084 12.848 1.00 0.00 C ATOM 271 SD MET A 16 46.204 4.712 12.999 1.00 0.00 S ATOM 272 CE MET A 16 45.462 4.744 11.376 1.00 0.00 C ATOM 0 H MET A 16 48.857 8.571 12.672 1.00 0.00 H new ATOM 0 HA MET A 16 50.412 6.524 11.332 1.00 0.00 H new ATOM 0 HB2 MET A 16 48.345 4.997 11.281 1.00 0.00 H new ATOM 0 HB3 MET A 16 49.221 5.036 12.798 1.00 0.00 H new ATOM 0 HG2 MET A 16 47.588 6.470 13.836 1.00 0.00 H new ATOM 0 HG3 MET A 16 46.864 6.898 12.298 1.00 0.00 H new ATOM 0 HE1 MET A 16 44.575 4.110 11.369 1.00 0.00 H new ATOM 0 HE2 MET A 16 45.179 5.766 11.125 1.00 0.00 H new ATOM 0 HE3 MET A 16 46.178 4.375 10.641 1.00 0.00 H new ATOM 282 N MET A 17 49.288 8.546 9.932 1.00 0.00 N ATOM 283 CA MET A 17 48.736 9.236 8.779 1.00 0.00 C ATOM 284 C MET A 17 49.663 9.108 7.568 1.00 0.00 C ATOM 285 O MET A 17 49.198 8.976 6.437 1.00 0.00 O ATOM 286 CB MET A 17 48.534 10.714 9.115 1.00 0.00 C ATOM 287 CG MET A 17 47.474 10.890 10.204 1.00 0.00 C ATOM 288 SD MET A 17 46.291 12.131 9.710 1.00 0.00 S ATOM 289 CE MET A 17 44.858 11.570 10.615 1.00 0.00 C ATOM 0 H MET A 17 50.130 8.971 10.320 1.00 0.00 H new ATOM 0 HA MET A 17 47.779 8.778 8.530 1.00 0.00 H new ATOM 0 HB2 MET A 17 49.477 11.147 9.448 1.00 0.00 H new ATOM 0 HB3 MET A 17 48.233 11.256 8.219 1.00 0.00 H new ATOM 0 HG2 MET A 17 46.966 9.943 10.385 1.00 0.00 H new ATOM 0 HG3 MET A 17 47.949 11.181 11.141 1.00 0.00 H new ATOM 0 HE1 MET A 17 44.019 12.238 10.419 1.00 0.00 H new ATOM 0 HE2 MET A 17 44.599 10.560 10.297 1.00 0.00 H new ATOM 0 HE3 MET A 17 45.079 11.569 11.682 1.00 0.00 H new ATOM 299 N ASP A 18 50.957 9.154 7.847 1.00 0.00 N ATOM 300 CA ASP A 18 51.953 9.046 6.795 1.00 0.00 C ATOM 301 C ASP A 18 53.142 8.229 7.306 1.00 0.00 C ATOM 302 O ASP A 18 53.365 7.105 6.859 1.00 0.00 O ATOM 303 CB ASP A 18 52.471 10.425 6.382 1.00 0.00 C ATOM 304 CG ASP A 18 51.757 11.051 5.183 1.00 0.00 C ATOM 305 OD1 ASP A 18 50.586 11.450 5.273 1.00 0.00 O ATOM 306 OD2 ASP A 18 52.462 11.122 4.105 1.00 0.00 O ATOM 0 H ASP A 18 51.339 9.265 8.786 1.00 0.00 H new ATOM 0 HA ASP A 18 51.485 8.565 5.936 1.00 0.00 H new ATOM 0 HB2 ASP A 18 52.381 11.100 7.233 1.00 0.00 H new ATOM 0 HB3 ASP A 18 53.533 10.343 6.151 1.00 0.00 H new ATOM 312 N THR A 19 53.873 8.825 8.236 1.00 0.00 N ATOM 313 CA THR A 19 55.033 8.167 8.812 1.00 0.00 C ATOM 314 C THR A 19 55.780 7.369 7.742 1.00 0.00 C ATOM 315 O THR A 19 55.815 6.141 7.790 1.00 0.00 O ATOM 316 CB THR A 19 54.555 7.310 9.986 1.00 0.00 C ATOM 317 OG1 THR A 19 54.016 6.145 9.369 1.00 0.00 O ATOM 318 CG2 THR A 19 53.363 7.931 10.717 1.00 0.00 C ATOM 0 H THR A 19 53.684 9.757 8.605 1.00 0.00 H new ATOM 0 HA THR A 19 55.752 8.893 9.192 1.00 0.00 H new ATOM 0 HB THR A 19 55.376 7.166 10.688 1.00 0.00 H new ATOM 0 HG1 THR A 19 54.745 5.597 9.011 1.00 0.00 H new ATOM 0 HG21 THR A 19 53.064 7.283 11.541 1.00 0.00 H new ATOM 0 HG22 THR A 19 53.645 8.908 11.108 1.00 0.00 H new ATOM 0 HG23 THR A 19 52.530 8.045 10.023 1.00 0.00 H new ATOM 326 N GLN A 20 56.360 8.100 6.801 1.00 0.00 N ATOM 327 CA GLN A 20 57.104 7.476 5.721 1.00 0.00 C ATOM 328 C GLN A 20 56.156 7.059 4.595 1.00 0.00 C ATOM 329 O GLN A 20 56.317 7.486 3.453 1.00 0.00 O ATOM 330 CB GLN A 20 57.910 6.279 6.231 1.00 0.00 C ATOM 331 CG GLN A 20 59.265 6.191 5.525 1.00 0.00 C ATOM 332 CD GLN A 20 59.845 4.779 5.628 1.00 0.00 C ATOM 333 OE1 GLN A 20 59.245 3.872 6.181 1.00 0.00 O ATOM 334 NE2 GLN A 20 61.043 4.643 5.065 1.00 0.00 N ATOM 0 H GLN A 20 56.329 9.119 6.765 1.00 0.00 H new ATOM 0 HA GLN A 20 57.810 8.205 5.323 1.00 0.00 H new ATOM 0 HB2 GLN A 20 58.061 6.369 7.307 1.00 0.00 H new ATOM 0 HB3 GLN A 20 57.348 5.360 6.064 1.00 0.00 H new ATOM 0 HG2 GLN A 20 59.151 6.466 4.476 1.00 0.00 H new ATOM 0 HG3 GLN A 20 59.958 6.906 5.969 1.00 0.00 H new ATOM 0 HE21 GLN A 20 61.490 5.443 4.618 1.00 0.00 H new ATOM 0 HE22 GLN A 20 61.514 3.738 5.080 1.00 0.00 H new ATOM 343 N LEU A 21 55.189 6.229 4.956 1.00 0.00 N ATOM 344 CA LEU A 21 54.215 5.749 3.990 1.00 0.00 C ATOM 345 C LEU A 21 53.188 4.867 4.703 1.00 0.00 C ATOM 346 O LEU A 21 53.529 3.803 5.217 1.00 0.00 O ATOM 347 CB LEU A 21 54.917 5.054 2.822 1.00 0.00 C ATOM 348 CG LEU A 21 55.836 3.888 3.189 1.00 0.00 C ATOM 349 CD1 LEU A 21 55.120 2.548 3.011 1.00 0.00 C ATOM 350 CD2 LEU A 21 57.143 3.949 2.396 1.00 0.00 C ATOM 0 H LEU A 21 55.059 5.876 5.904 1.00 0.00 H new ATOM 0 HA LEU A 21 53.669 6.585 3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 21 54.156 4.688 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 21 55.504 5.797 2.283 1.00 0.00 H new ATOM 0 HG LEU A 21 56.095 3.977 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 21 55.796 1.736 3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 21 54.242 2.516 3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 21 54.812 2.436 1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 21 57.778 3.109 2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 21 56.924 3.899 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 21 57.659 4.883 2.617 1.00 0.00 H new ATOM 362 N THR A 22 51.951 5.343 4.711 1.00 0.00 N ATOM 363 CA THR A 22 50.872 4.611 5.353 1.00 0.00 C ATOM 364 C THR A 22 50.245 3.618 4.372 1.00 0.00 C ATOM 365 O THR A 22 49.259 3.935 3.708 1.00 0.00 O ATOM 366 CB THR A 22 49.875 5.629 5.908 1.00 0.00 C ATOM 367 OG1 THR A 22 50.495 6.108 7.099 1.00 0.00 O ATOM 368 CG2 THR A 22 48.582 4.975 6.399 1.00 0.00 C ATOM 0 H THR A 22 51.672 6.226 4.283 1.00 0.00 H new ATOM 0 HA THR A 22 51.241 4.010 6.184 1.00 0.00 H new ATOM 0 HB THR A 22 49.640 6.364 5.138 1.00 0.00 H new ATOM 0 HG1 THR A 22 51.434 6.322 6.916 1.00 0.00 H new ATOM 0 HG21 THR A 22 47.909 5.742 6.783 1.00 0.00 H new ATOM 0 HG22 THR A 22 48.102 4.452 5.572 1.00 0.00 H new ATOM 0 HG23 THR A 22 48.812 4.264 7.193 1.00 0.00 H new ATOM 376 N LYS A 23 50.841 2.437 4.312 1.00 0.00 N ATOM 377 CA LYS A 23 50.353 1.396 3.424 1.00 0.00 C ATOM 378 C LYS A 23 49.917 2.025 2.099 1.00 0.00 C ATOM 379 O LYS A 23 50.659 2.805 1.504 1.00 0.00 O ATOM 380 CB LYS A 23 49.255 0.579 4.108 1.00 0.00 C ATOM 381 CG LYS A 23 49.180 -0.834 3.527 1.00 0.00 C ATOM 382 CD LYS A 23 50.486 -1.594 3.763 1.00 0.00 C ATOM 383 CE LYS A 23 50.273 -3.104 3.638 1.00 0.00 C ATOM 384 NZ LYS A 23 50.772 -3.800 4.845 1.00 0.00 N ATOM 0 H LYS A 23 51.658 2.177 4.864 1.00 0.00 H new ATOM 0 HA LYS A 23 51.149 0.687 3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 23 49.450 0.526 5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 23 48.294 1.079 3.984 1.00 0.00 H new ATOM 0 HG2 LYS A 23 48.352 -1.376 3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 23 48.974 -0.781 2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 23 51.236 -1.268 3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 23 50.874 -1.359 4.754 1.00 0.00 H new ATOM 0 HE2 LYS A 23 49.213 -3.317 3.500 1.00 0.00 H new ATOM 0 HE3 LYS A 23 50.791 -3.478 2.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 50.620 -4.824 4.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 51.788 -3.611 4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 50.259 -3.455 5.682 1.00 0.00 H new ATOM 397 N ARG A 24 48.715 1.662 1.676 1.00 0.00 N ATOM 398 CA ARG A 24 48.171 2.182 0.433 1.00 0.00 C ATOM 399 C ARG A 24 46.644 2.098 0.446 1.00 0.00 C ATOM 400 O ARG A 24 46.004 2.513 1.410 1.00 0.00 O ATOM 401 CB ARG A 24 48.708 1.404 -0.770 1.00 0.00 C ATOM 402 CG ARG A 24 50.233 1.294 -0.717 1.00 0.00 C ATOM 403 CD ARG A 24 50.777 0.599 -1.966 1.00 0.00 C ATOM 404 NE ARG A 24 51.066 -0.822 -1.670 1.00 0.00 N ATOM 405 CZ ARG A 24 51.921 -1.585 -2.383 1.00 0.00 C ATOM 406 NH1 ARG A 24 52.580 -1.069 -3.443 1.00 0.00 N ATOM 407 NH2 ARG A 24 52.104 -2.843 -2.029 1.00 0.00 N ATOM 0 H ARG A 24 48.103 1.014 2.172 1.00 0.00 H new ATOM 0 HA ARG A 24 48.480 3.224 0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 24 48.269 0.407 -0.788 1.00 0.00 H new ATOM 0 HB3 ARG A 24 48.408 1.901 -1.692 1.00 0.00 H new ATOM 0 HG2 ARG A 24 50.670 2.289 -0.631 1.00 0.00 H new ATOM 0 HG3 ARG A 24 50.530 0.737 0.172 1.00 0.00 H new ATOM 0 HD2 ARG A 24 50.052 0.670 -2.777 1.00 0.00 H new ATOM 0 HD3 ARG A 24 51.684 1.100 -2.305 1.00 0.00 H new ATOM 0 HE ARG A 24 50.589 -1.252 -0.877 1.00 0.00 H new ATOM 0 HH11 ARG A 24 52.433 -0.096 -3.710 1.00 0.00 H new ATOM 0 HH12 ARG A 24 53.224 -1.653 -3.976 1.00 0.00 H new ATOM 0 HH21 ARG A 24 51.603 -3.225 -1.227 1.00 0.00 H new ATOM 0 HH22 ARG A 24 52.747 -3.433 -2.557 1.00 0.00 H new ATOM 420 N VAL A 25 46.103 1.558 -0.637 1.00 0.00 N ATOM 421 CA VAL A 25 44.663 1.414 -0.762 1.00 0.00 C ATOM 422 C VAL A 25 44.219 0.134 -0.051 1.00 0.00 C ATOM 423 O VAL A 25 43.228 -0.484 -0.439 1.00 0.00 O ATOM 424 CB VAL A 25 44.260 1.448 -2.238 1.00 0.00 C ATOM 425 CG1 VAL A 25 42.740 1.366 -2.394 1.00 0.00 C ATOM 426 CG2 VAL A 25 44.815 2.696 -2.929 1.00 0.00 C ATOM 0 H VAL A 25 46.637 1.215 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 25 44.153 2.248 -0.280 1.00 0.00 H new ATOM 0 HB VAL A 25 44.694 0.574 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 25 42.481 1.392 -3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 25 42.379 0.436 -1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 25 42.276 2.211 -1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 25 44.514 2.696 -3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 25 44.423 3.588 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 25 45.903 2.694 -2.864 1.00 0.00 H new ATOM 436 N LYS A 26 44.972 -0.226 0.977 1.00 0.00 N ATOM 437 CA LYS A 26 44.669 -1.421 1.746 1.00 0.00 C ATOM 438 C LYS A 26 44.627 -1.068 3.234 1.00 0.00 C ATOM 439 O LYS A 26 43.729 -1.501 3.954 1.00 0.00 O ATOM 440 CB LYS A 26 45.654 -2.541 1.407 1.00 0.00 C ATOM 441 CG LYS A 26 47.065 -1.986 1.200 1.00 0.00 C ATOM 442 CD LYS A 26 47.392 -1.861 -0.290 1.00 0.00 C ATOM 443 CE LYS A 26 47.171 -3.191 -1.013 1.00 0.00 C ATOM 444 NZ LYS A 26 46.070 -3.071 -1.994 1.00 0.00 N ATOM 0 H LYS A 26 45.792 0.289 1.296 1.00 0.00 H new ATOM 0 HA LYS A 26 43.684 -1.804 1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 26 45.663 -3.278 2.210 1.00 0.00 H new ATOM 0 HB3 LYS A 26 45.326 -3.058 0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 26 47.149 -1.010 1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 26 47.791 -2.640 1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 26 46.766 -1.090 -0.740 1.00 0.00 H new ATOM 0 HD3 LYS A 26 48.427 -1.543 -0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 26 48.087 -3.492 -1.521 1.00 0.00 H new ATOM 0 HE3 LYS A 26 46.937 -3.971 -0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 45.717 -4.019 -2.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 45.298 -2.509 -1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 46.420 -2.601 -2.853 1.00 0.00 H new ATOM 457 N ASN A 27 45.611 -0.284 3.651 1.00 0.00 N ATOM 458 CA ASN A 27 45.699 0.132 5.040 1.00 0.00 C ATOM 459 C ASN A 27 46.187 1.580 5.105 1.00 0.00 C ATOM 460 O ASN A 27 47.246 1.858 5.666 1.00 0.00 O ATOM 461 CB ASN A 27 46.692 -0.737 5.814 1.00 0.00 C ATOM 462 CG ASN A 27 46.538 -2.212 5.439 1.00 0.00 C ATOM 463 OD1 ASN A 27 47.663 -2.915 5.535 1.00 0.00 O flip ATOM 464 ND2 ASN A 27 45.468 -2.682 5.087 1.00 0.00 N flip ATOM 0 H ASN A 27 46.354 0.074 3.051 1.00 0.00 H new ATOM 0 HA ASN A 27 44.709 0.031 5.485 1.00 0.00 H new ATOM 0 HB2 ASN A 27 47.710 -0.409 5.603 1.00 0.00 H new ATOM 0 HB3 ASN A 27 46.533 -0.612 6.885 1.00 0.00 H new ATOM 0 HD21 ASN A 27 44.642 -2.086 5.035 1.00 0.00 H new ATOM 0 HD22 ASN A 27 45.400 -3.671 4.845 1.00 0.00 H new ATOM 471 N ALA A 28 45.393 2.466 4.522 1.00 0.00 N ATOM 472 CA ALA A 28 45.731 3.879 4.506 1.00 0.00 C ATOM 473 C ALA A 28 44.445 4.706 4.444 1.00 0.00 C ATOM 474 O ALA A 28 44.401 5.828 4.946 1.00 0.00 O ATOM 475 CB ALA A 28 46.666 4.167 3.329 1.00 0.00 C ATOM 0 H ALA A 28 44.516 2.232 4.057 1.00 0.00 H new ATOM 0 HA ALA A 28 46.259 4.158 5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.920 5.227 3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 28 47.576 3.577 3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 28 46.169 3.902 2.396 1.00 0.00 H new ATOM 481 N ALA A 29 43.431 4.120 3.825 1.00 0.00 N ATOM 482 CA ALA A 29 42.148 4.788 3.692 1.00 0.00 C ATOM 483 C ALA A 29 41.291 4.489 4.924 1.00 0.00 C ATOM 484 O ALA A 29 40.686 5.393 5.498 1.00 0.00 O ATOM 485 CB ALA A 29 41.474 4.346 2.392 1.00 0.00 C ATOM 0 H ALA A 29 43.472 3.189 3.410 1.00 0.00 H new ATOM 0 HA ALA A 29 42.282 5.868 3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 29 40.511 4.847 2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 29 42.109 4.608 1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 29 41.321 3.267 2.410 1.00 0.00 H new ATOM 491 N ALA A 30 41.268 3.217 5.294 1.00 0.00 N ATOM 492 CA ALA A 30 40.495 2.787 6.447 1.00 0.00 C ATOM 493 C ALA A 30 39.012 3.061 6.192 1.00 0.00 C ATOM 494 O ALA A 30 38.267 2.159 5.813 1.00 0.00 O ATOM 495 CB ALA A 30 41.012 3.495 7.701 1.00 0.00 C ATOM 0 H ALA A 30 41.772 2.470 4.816 1.00 0.00 H new ATOM 0 HA ALA A 30 40.609 1.715 6.608 1.00 0.00 H new ATOM 0 HB1 ALA A 30 40.432 3.173 8.566 1.00 0.00 H new ATOM 0 HB2 ALA A 30 42.062 3.244 7.854 1.00 0.00 H new ATOM 0 HB3 ALA A 30 40.911 4.573 7.578 1.00 0.00 H new ATOM 501 N ASN A 31 38.627 4.310 6.412 1.00 0.00 N ATOM 502 CA ASN A 31 37.246 4.714 6.211 1.00 0.00 C ATOM 503 C ASN A 31 37.214 6.081 5.524 1.00 0.00 C ATOM 504 O ASN A 31 36.169 6.728 5.469 1.00 0.00 O ATOM 505 CB ASN A 31 36.509 4.839 7.546 1.00 0.00 C ATOM 506 CG ASN A 31 37.160 5.902 8.434 1.00 0.00 C ATOM 507 OD1 ASN A 31 38.137 6.536 8.073 1.00 0.00 O ATOM 508 ND2 ASN A 31 36.566 6.059 9.613 1.00 0.00 N ATOM 0 H ASN A 31 39.248 5.055 6.728 1.00 0.00 H new ATOM 0 HA ASN A 31 36.758 3.955 5.599 1.00 0.00 H new ATOM 0 HB2 ASN A 31 35.466 5.099 7.367 1.00 0.00 H new ATOM 0 HB3 ASN A 31 36.514 3.878 8.060 1.00 0.00 H new ATOM 0 HD21 ASN A 31 36.926 6.744 10.278 1.00 0.00 H new ATOM 0 HD22 ASN A 31 35.751 5.495 9.852 1.00 0.00 H new ATOM 515 N VAL A 32 38.371 6.479 5.016 1.00 0.00 N ATOM 516 CA VAL A 32 38.489 7.757 4.334 1.00 0.00 C ATOM 517 C VAL A 32 38.140 8.884 5.308 1.00 0.00 C ATOM 518 O VAL A 32 37.900 10.016 4.892 1.00 0.00 O ATOM 519 CB VAL A 32 37.616 7.761 3.077 1.00 0.00 C ATOM 520 CG1 VAL A 32 37.190 6.341 2.700 1.00 0.00 C ATOM 521 CG2 VAL A 32 36.398 8.669 3.258 1.00 0.00 C ATOM 0 H VAL A 32 39.235 5.939 5.063 1.00 0.00 H new ATOM 0 HA VAL A 32 39.514 7.920 4.002 1.00 0.00 H new ATOM 0 HB VAL A 32 38.213 8.160 2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 32 36.571 6.373 1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 32 38.075 5.734 2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 32 36.620 5.903 3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 32 35.795 8.654 2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 32 35.800 8.313 4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 32 36.730 9.688 3.456 1.00 0.00 H new ATOM 531 N LEU A 33 38.123 8.534 6.586 1.00 0.00 N ATOM 532 CA LEU A 33 37.807 9.502 7.622 1.00 0.00 C ATOM 533 C LEU A 33 36.297 9.746 7.643 1.00 0.00 C ATOM 534 O LEU A 33 35.650 9.567 8.674 1.00 0.00 O ATOM 535 CB LEU A 33 38.633 10.776 7.435 1.00 0.00 C ATOM 536 CG LEU A 33 39.312 11.326 8.691 1.00 0.00 C ATOM 537 CD1 LEU A 33 40.827 11.421 8.499 1.00 0.00 C ATOM 538 CD2 LEU A 33 38.702 12.668 9.102 1.00 0.00 C ATOM 0 H LEU A 33 38.323 7.594 6.927 1.00 0.00 H new ATOM 0 HA LEU A 33 38.081 9.113 8.603 1.00 0.00 H new ATOM 0 HB2 LEU A 33 39.401 10.581 6.687 1.00 0.00 H new ATOM 0 HB3 LEU A 33 37.982 11.551 7.029 1.00 0.00 H new ATOM 0 HG LEU A 33 39.134 10.627 9.508 1.00 0.00 H new ATOM 0 HD11 LEU A 33 41.285 11.815 9.406 1.00 0.00 H new ATOM 0 HD12 LEU A 33 41.230 10.430 8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 33 41.047 12.086 7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 33 39.203 13.036 9.997 1.00 0.00 H new ATOM 0 HD22 LEU A 33 38.828 13.388 8.293 1.00 0.00 H new ATOM 0 HD23 LEU A 33 37.640 12.537 9.309 1.00 0.00 H new ATOM 550 N ARG A 34 35.779 10.152 6.493 1.00 0.00 N ATOM 551 CA ARG A 34 34.357 10.422 6.367 1.00 0.00 C ATOM 552 C ARG A 34 33.544 9.190 6.769 1.00 0.00 C ATOM 553 O ARG A 34 32.486 9.313 7.384 1.00 0.00 O ATOM 554 CB ARG A 34 33.997 10.816 4.933 1.00 0.00 C ATOM 555 CG ARG A 34 34.437 12.249 4.631 1.00 0.00 C ATOM 556 CD ARG A 34 33.264 13.088 4.120 1.00 0.00 C ATOM 557 NE ARG A 34 33.753 14.135 3.196 1.00 0.00 N ATOM 558 CZ ARG A 34 34.210 15.341 3.592 1.00 0.00 C ATOM 559 NH1 ARG A 34 34.243 15.665 4.903 1.00 0.00 N ATOM 560 NH2 ARG A 34 34.623 16.201 2.680 1.00 0.00 N ATOM 0 H ARG A 34 36.319 10.300 5.640 1.00 0.00 H new ATOM 0 HA ARG A 34 34.117 11.252 7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 34 34.474 10.130 4.233 1.00 0.00 H new ATOM 0 HB3 ARG A 34 32.921 10.724 4.786 1.00 0.00 H new ATOM 0 HG2 ARG A 34 34.849 12.704 5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 34 35.233 12.239 3.886 1.00 0.00 H new ATOM 0 HD2 ARG A 34 32.544 12.448 3.609 1.00 0.00 H new ATOM 0 HD3 ARG A 34 32.742 13.548 4.960 1.00 0.00 H new ATOM 0 HE ARG A 34 33.744 13.932 2.196 1.00 0.00 H new ATOM 0 HH11 ARG A 34 33.921 14.996 5.602 1.00 0.00 H new ATOM 0 HH12 ARG A 34 34.590 16.579 5.194 1.00 0.00 H new ATOM 0 HH21 ARG A 34 34.594 15.950 1.692 1.00 0.00 H new ATOM 0 HH22 ARG A 34 34.971 17.117 2.963 1.00 0.00 H new ATOM 573 N GLU A 35 34.071 8.029 6.407 1.00 0.00 N ATOM 574 CA GLU A 35 33.407 6.776 6.723 1.00 0.00 C ATOM 575 C GLU A 35 31.930 6.844 6.333 1.00 0.00 C ATOM 576 O GLU A 35 31.079 6.258 7.001 1.00 0.00 O ATOM 577 CB GLU A 35 33.568 6.428 8.204 1.00 0.00 C ATOM 578 CG GLU A 35 32.739 7.370 9.081 1.00 0.00 C ATOM 579 CD GLU A 35 32.493 6.759 10.462 1.00 0.00 C ATOM 580 OE1 GLU A 35 32.369 5.531 10.583 1.00 0.00 O ATOM 581 OE2 GLU A 35 32.432 7.608 11.431 1.00 0.00 O ATOM 0 H GLU A 35 34.950 7.930 5.898 1.00 0.00 H new ATOM 0 HA GLU A 35 33.879 5.982 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 35 33.257 5.398 8.375 1.00 0.00 H new ATOM 0 HB3 GLU A 35 34.619 6.494 8.485 1.00 0.00 H new ATOM 0 HG2 GLU A 35 33.257 8.323 9.188 1.00 0.00 H new ATOM 0 HG3 GLU A 35 31.785 7.578 8.596 1.00 0.00 H new ATOM 589 N THR A 36 31.669 7.565 5.252 1.00 0.00 N ATOM 590 CA THR A 36 30.308 7.717 4.765 1.00 0.00 C ATOM 591 C THR A 36 29.809 6.404 4.158 1.00 0.00 C ATOM 592 O THR A 36 28.607 6.219 3.974 1.00 0.00 O ATOM 593 CB THR A 36 30.287 8.888 3.780 1.00 0.00 C ATOM 594 OG1 THR A 36 31.522 8.775 3.079 1.00 0.00 O ATOM 595 CG2 THR A 36 30.380 10.245 4.482 1.00 0.00 C ATOM 0 H THR A 36 32.376 8.050 4.700 1.00 0.00 H new ATOM 0 HA THR A 36 29.620 7.945 5.579 1.00 0.00 H new ATOM 0 HB THR A 36 29.373 8.847 3.188 1.00 0.00 H new ATOM 0 HG1 THR A 36 31.498 7.985 2.499 1.00 0.00 H new ATOM 0 HG21 THR A 36 30.361 11.042 3.738 1.00 0.00 H new ATOM 0 HG22 THR A 36 29.535 10.362 5.161 1.00 0.00 H new ATOM 0 HG23 THR A 36 31.310 10.299 5.048 1.00 0.00 H new ATOM 603 N TRP A 37 30.757 5.527 3.864 1.00 0.00 N ATOM 604 CA TRP A 37 30.428 4.237 3.282 1.00 0.00 C ATOM 605 C TRP A 37 30.280 3.228 4.422 1.00 0.00 C ATOM 606 O TRP A 37 29.712 2.153 4.235 1.00 0.00 O ATOM 607 CB TRP A 37 31.474 3.820 2.246 1.00 0.00 C ATOM 608 CG TRP A 37 32.384 4.961 1.787 1.00 0.00 C ATOM 609 CD1 TRP A 37 33.633 5.232 2.189 1.00 0.00 C ATOM 610 CD2 TRP A 37 32.064 5.979 0.816 1.00 0.00 C ATOM 611 NE1 TRP A 37 34.139 6.347 1.551 1.00 0.00 N ATOM 612 CE2 TRP A 37 33.154 6.815 0.689 1.00 0.00 C ATOM 613 CE3 TRP A 37 30.891 6.187 0.069 1.00 0.00 C ATOM 614 CZ2 TRP A 37 33.181 7.915 -0.176 1.00 0.00 C ATOM 615 CZ3 TRP A 37 30.933 7.291 -0.791 1.00 0.00 C ATOM 616 CH2 TRP A 37 32.023 8.142 -0.930 1.00 0.00 C ATOM 0 H TRP A 37 31.753 5.684 4.018 1.00 0.00 H new ATOM 0 HA TRP A 37 29.485 4.288 2.738 1.00 0.00 H new ATOM 0 HB2 TRP A 37 32.090 3.025 2.666 1.00 0.00 H new ATOM 0 HB3 TRP A 37 30.964 3.404 1.377 1.00 0.00 H new ATOM 0 HD1 TRP A 37 34.176 4.651 2.920 1.00 0.00 H new ATOM 0 HE1 TRP A 37 35.065 6.753 1.687 1.00 0.00 H new ATOM 0 HE3 TRP A 37 30.026 5.546 0.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 34.048 8.554 -0.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 30.057 7.496 -1.388 1.00 0.00 H new ATOM 0 HH2 TRP A 37 31.977 8.975 -1.616 1.00 0.00 H new ATOM 627 N LEU A 38 30.802 3.609 5.579 1.00 0.00 N ATOM 628 CA LEU A 38 30.736 2.751 6.749 1.00 0.00 C ATOM 629 C LEU A 38 29.499 3.114 7.573 1.00 0.00 C ATOM 630 O LEU A 38 28.778 2.233 8.039 1.00 0.00 O ATOM 631 CB LEU A 38 32.044 2.821 7.540 1.00 0.00 C ATOM 632 CG LEU A 38 33.309 2.413 6.782 1.00 0.00 C ATOM 633 CD1 LEU A 38 33.431 3.184 5.466 1.00 0.00 C ATOM 634 CD2 LEU A 38 34.551 2.576 7.660 1.00 0.00 C ATOM 0 H LEU A 38 31.273 4.501 5.731 1.00 0.00 H new ATOM 0 HA LEU A 38 30.627 1.708 6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.173 3.842 7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.949 2.183 8.418 1.00 0.00 H new ATOM 0 HG LEU A 38 33.231 1.355 6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 38 34.338 2.876 4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.564 2.973 4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 38 33.477 4.253 5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 38 35.436 2.279 7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.647 3.618 7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 38 34.456 1.947 8.545 1.00 0.00 H new ATOM 646 N ILE A 39 29.291 4.414 7.728 1.00 0.00 N ATOM 647 CA ILE A 39 28.154 4.904 8.488 1.00 0.00 C ATOM 648 C ILE A 39 26.873 4.683 7.681 1.00 0.00 C ATOM 649 O ILE A 39 25.818 4.405 8.249 1.00 0.00 O ATOM 650 CB ILE A 39 28.375 6.360 8.903 1.00 0.00 C ATOM 651 CG1 ILE A 39 28.713 7.231 7.691 1.00 0.00 C ATOM 652 CG2 ILE A 39 29.440 6.463 9.998 1.00 0.00 C ATOM 653 CD1 ILE A 39 27.632 8.287 7.456 1.00 0.00 C ATOM 0 H ILE A 39 29.891 5.142 7.340 1.00 0.00 H new ATOM 0 HA ILE A 39 28.047 4.344 9.417 1.00 0.00 H new ATOM 0 HB ILE A 39 27.444 6.740 9.323 1.00 0.00 H new ATOM 0 HG12 ILE A 39 29.675 7.719 7.846 1.00 0.00 H new ATOM 0 HG13 ILE A 39 28.813 6.604 6.805 1.00 0.00 H new ATOM 0 HG21 ILE A 39 29.578 7.508 10.275 1.00 0.00 H new ATOM 0 HG22 ILE A 39 29.120 5.896 10.872 1.00 0.00 H new ATOM 0 HG23 ILE A 39 30.382 6.058 9.628 1.00 0.00 H new ATOM 0 HD11 ILE A 39 27.897 8.892 6.589 1.00 0.00 H new ATOM 0 HD12 ILE A 39 26.676 7.795 7.277 1.00 0.00 H new ATOM 0 HD13 ILE A 39 27.552 8.927 8.334 1.00 0.00 H new ATOM 665 N TYR A 40 27.008 4.814 6.370 1.00 0.00 N ATOM 666 CA TYR A 40 25.875 4.631 5.479 1.00 0.00 C ATOM 667 C TYR A 40 24.716 5.551 5.871 1.00 0.00 C ATOM 668 O TYR A 40 24.068 5.337 6.894 1.00 0.00 O ATOM 669 CB TYR A 40 25.435 3.176 5.649 1.00 0.00 C ATOM 670 CG TYR A 40 26.151 2.196 4.717 1.00 0.00 C ATOM 671 CD1 TYR A 40 26.278 2.490 3.374 1.00 0.00 C ATOM 672 CD2 TYR A 40 26.669 1.020 5.218 1.00 0.00 C ATOM 673 CE1 TYR A 40 26.951 1.568 2.497 1.00 0.00 C ATOM 674 CE2 TYR A 40 27.342 0.098 4.341 1.00 0.00 C ATOM 675 CZ TYR A 40 27.451 0.417 3.023 1.00 0.00 C ATOM 676 OH TYR A 40 28.087 -0.453 2.195 1.00 0.00 O ATOM 0 H TYR A 40 27.885 5.045 5.903 1.00 0.00 H new ATOM 0 HA TYR A 40 26.153 4.866 4.452 1.00 0.00 H new ATOM 0 HB2 TYR A 40 25.609 2.873 6.681 1.00 0.00 H new ATOM 0 HB3 TYR A 40 24.361 3.109 5.474 1.00 0.00 H new ATOM 0 HD1 TYR A 40 25.873 3.411 2.982 1.00 0.00 H new ATOM 0 HD2 TYR A 40 26.570 0.791 6.269 1.00 0.00 H new ATOM 0 HE1 TYR A 40 27.057 1.785 1.444 1.00 0.00 H new ATOM 0 HE2 TYR A 40 27.751 -0.826 4.721 1.00 0.00 H new ATOM 0 HH TYR A 40 28.392 -1.230 2.709 1.00 0.00 H new ATOM 686 N LYS A 41 24.491 6.554 5.035 1.00 0.00 N ATOM 687 CA LYS A 41 23.422 7.507 5.281 1.00 0.00 C ATOM 688 C LYS A 41 22.976 8.122 3.953 1.00 0.00 C ATOM 689 O LYS A 41 23.789 8.312 3.050 1.00 0.00 O ATOM 690 CB LYS A 41 23.855 8.541 6.323 1.00 0.00 C ATOM 691 CG LYS A 41 24.977 9.429 5.780 1.00 0.00 C ATOM 692 CD LYS A 41 24.417 10.531 4.879 1.00 0.00 C ATOM 693 CE LYS A 41 24.661 11.914 5.488 1.00 0.00 C ATOM 694 NZ LYS A 41 23.411 12.450 6.073 1.00 0.00 N ATOM 0 H LYS A 41 25.030 6.727 4.187 1.00 0.00 H new ATOM 0 HA LYS A 41 22.554 7.004 5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 41 23.002 9.158 6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 41 24.193 8.033 7.226 1.00 0.00 H new ATOM 0 HG2 LYS A 41 25.525 9.876 6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 41 25.687 8.821 5.219 1.00 0.00 H new ATOM 0 HD2 LYS A 41 24.885 10.475 3.896 1.00 0.00 H new ATOM 0 HD3 LYS A 41 23.348 10.378 4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 41 25.431 11.849 6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 41 25.032 12.595 4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 23.594 13.389 6.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 22.687 12.531 5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 23.073 11.808 6.818 1.00 0.00 H new ATOM 707 N ASN A 42 21.686 8.415 3.876 1.00 0.00 N ATOM 708 CA ASN A 42 21.123 9.004 2.673 1.00 0.00 C ATOM 709 C ASN A 42 20.118 10.089 3.064 1.00 0.00 C ATOM 710 O ASN A 42 20.321 11.264 2.764 1.00 0.00 O ATOM 711 CB ASN A 42 20.386 7.954 1.839 1.00 0.00 C ATOM 712 CG ASN A 42 21.330 7.287 0.837 1.00 0.00 C ATOM 713 OD1 ASN A 42 21.991 6.303 1.128 1.00 0.00 O ATOM 714 ND2 ASN A 42 21.357 7.875 -0.355 1.00 0.00 N ATOM 0 H ASN A 42 21.015 8.255 4.627 1.00 0.00 H new ATOM 0 HA ASN A 42 21.942 9.421 2.086 1.00 0.00 H new ATOM 0 HB2 ASN A 42 19.956 7.199 2.497 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.558 8.423 1.307 1.00 0.00 H new ATOM 0 HD21 ASN A 42 21.957 7.505 -1.093 1.00 0.00 H new ATOM 0 HD22 ASN A 42 20.778 8.696 -0.532 1.00 0.00 H new ATOM 721 N THR A 43 19.056 9.655 3.727 1.00 0.00 N ATOM 722 CA THR A 43 18.019 10.575 4.162 1.00 0.00 C ATOM 723 C THR A 43 17.712 11.592 3.061 1.00 0.00 C ATOM 724 O THR A 43 17.778 12.799 3.289 1.00 0.00 O ATOM 725 CB THR A 43 18.477 11.219 5.473 1.00 0.00 C ATOM 726 OG1 THR A 43 17.556 12.287 5.676 1.00 0.00 O ATOM 727 CG2 THR A 43 19.833 11.916 5.340 1.00 0.00 C ATOM 0 H THR A 43 18.891 8.679 3.973 1.00 0.00 H new ATOM 0 HA THR A 43 17.081 10.053 4.350 1.00 0.00 H new ATOM 0 HB THR A 43 18.535 10.457 6.251 1.00 0.00 H new ATOM 0 HG1 THR A 43 17.706 12.981 5.001 1.00 0.00 H new ATOM 0 HG21 THR A 43 20.111 12.356 6.298 1.00 0.00 H new ATOM 0 HG22 THR A 43 20.588 11.189 5.041 1.00 0.00 H new ATOM 0 HG23 THR A 43 19.767 12.700 4.586 1.00 0.00 H new ATOM 735 N LYS A 44 17.382 11.067 1.890 1.00 0.00 N ATOM 736 CA LYS A 44 17.064 11.914 0.753 1.00 0.00 C ATOM 737 C LYS A 44 15.554 11.886 0.508 1.00 0.00 C ATOM 738 O LYS A 44 15.021 12.736 -0.203 1.00 0.00 O ATOM 739 CB LYS A 44 17.893 11.506 -0.467 1.00 0.00 C ATOM 740 CG LYS A 44 17.664 10.034 -0.818 1.00 0.00 C ATOM 741 CD LYS A 44 18.033 9.755 -2.276 1.00 0.00 C ATOM 742 CE LYS A 44 16.790 9.411 -3.100 1.00 0.00 C ATOM 743 NZ LYS A 44 17.177 8.923 -4.442 1.00 0.00 N ATOM 0 H LYS A 44 17.328 10.066 1.704 1.00 0.00 H new ATOM 0 HA LYS A 44 17.334 12.949 0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 44 17.626 12.132 -1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 44 18.951 11.675 -0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 44 18.261 9.402 -0.161 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.619 9.774 -0.647 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.527 10.628 -2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.745 8.931 -2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.204 8.650 -2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.155 10.292 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.322 8.694 -4.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.717 9.661 -4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.765 8.070 -4.345 1.00 0.00 H new ATOM 756 N LEU A 45 14.907 10.899 1.111 1.00 0.00 N ATOM 757 CA LEU A 45 13.469 10.749 0.967 1.00 0.00 C ATOM 758 C LEU A 45 12.765 11.865 1.742 1.00 0.00 C ATOM 759 O LEU A 45 12.216 11.628 2.817 1.00 0.00 O ATOM 760 CB LEU A 45 13.033 9.342 1.381 1.00 0.00 C ATOM 761 CG LEU A 45 13.217 8.991 2.859 1.00 0.00 C ATOM 762 CD1 LEU A 45 11.868 8.751 3.538 1.00 0.00 C ATOM 763 CD2 LEU A 45 14.163 7.800 3.026 1.00 0.00 C ATOM 0 H LEU A 45 15.352 10.196 1.700 1.00 0.00 H new ATOM 0 HA LEU A 45 13.177 10.853 -0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.980 9.220 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.590 8.620 0.784 1.00 0.00 H new ATOM 0 HG LEU A 45 13.680 9.843 3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.028 8.503 4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.259 9.652 3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.354 7.926 3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.277 7.571 4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.751 6.933 2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 45 15.136 8.046 2.602 1.00 0.00 H new ATOM 775 N VAL A 46 12.803 13.057 1.165 1.00 0.00 N ATOM 776 CA VAL A 46 12.175 14.210 1.788 1.00 0.00 C ATOM 777 C VAL A 46 11.278 14.911 0.765 1.00 0.00 C ATOM 778 O VAL A 46 11.682 15.897 0.152 1.00 0.00 O ATOM 779 CB VAL A 46 13.243 15.133 2.378 1.00 0.00 C ATOM 780 CG1 VAL A 46 12.607 16.235 3.226 1.00 0.00 C ATOM 781 CG2 VAL A 46 14.267 14.337 3.190 1.00 0.00 C ATOM 0 H VAL A 46 13.259 13.249 0.273 1.00 0.00 H new ATOM 0 HA VAL A 46 11.541 13.898 2.617 1.00 0.00 H new ATOM 0 HB VAL A 46 13.769 15.609 1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.388 16.877 3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.935 16.829 2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.044 15.785 4.044 1.00 0.00 H new ATOM 0 HG21 VAL A 46 15.015 15.016 3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 46 13.762 13.820 4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 46 14.754 13.606 2.545 1.00 0.00 H new ATOM 791 N LYS A 47 10.076 14.373 0.613 1.00 0.00 N ATOM 792 CA LYS A 47 9.118 14.935 -0.324 1.00 0.00 C ATOM 793 C LYS A 47 8.549 16.233 0.251 1.00 0.00 C ATOM 794 O LYS A 47 7.609 16.206 1.044 1.00 0.00 O ATOM 795 CB LYS A 47 8.049 13.900 -0.682 1.00 0.00 C ATOM 796 CG LYS A 47 7.345 13.383 0.574 1.00 0.00 C ATOM 797 CD LYS A 47 7.371 11.854 0.626 1.00 0.00 C ATOM 798 CE LYS A 47 6.026 11.268 0.192 1.00 0.00 C ATOM 799 NZ LYS A 47 5.392 10.539 1.313 1.00 0.00 N ATOM 0 H LYS A 47 9.744 13.554 1.123 1.00 0.00 H new ATOM 0 HA LYS A 47 9.609 15.191 -1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.317 14.346 -1.356 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.508 13.067 -1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.831 13.789 1.461 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.313 13.734 0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.162 11.478 -0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.606 11.525 1.638 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.367 12.067 -0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.172 10.594 -0.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.480 10.148 1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.014 9.764 1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.235 11.192 2.107 1.00 0.00 H new ATOM 812 N LYS A 48 9.143 17.340 -0.170 1.00 0.00 N ATOM 813 CA LYS A 48 8.707 18.646 0.294 1.00 0.00 C ATOM 814 C LYS A 48 7.302 18.930 -0.241 1.00 0.00 C ATOM 815 O LYS A 48 7.130 19.751 -1.140 1.00 0.00 O ATOM 816 CB LYS A 48 9.735 19.717 -0.079 1.00 0.00 C ATOM 817 CG LYS A 48 10.052 19.676 -1.575 1.00 0.00 C ATOM 818 CD LYS A 48 9.507 20.917 -2.285 1.00 0.00 C ATOM 819 CE LYS A 48 10.549 22.038 -2.305 1.00 0.00 C ATOM 820 NZ LYS A 48 9.902 23.350 -2.080 1.00 0.00 N ATOM 0 H LYS A 48 9.923 17.359 -0.827 1.00 0.00 H new ATOM 0 HA LYS A 48 8.643 18.662 1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.352 20.702 0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.649 19.564 0.494 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.130 19.614 -1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.618 18.779 -2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.223 20.661 -3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.605 21.263 -1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.299 21.859 -1.535 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.070 22.042 -3.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.623 24.100 -2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.203 23.525 -2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.426 23.348 -1.156 1.00 0.00 H new ATOM 833 N ILE A 49 6.333 18.233 0.334 1.00 0.00 N ATOM 834 CA ILE A 49 4.948 18.399 -0.073 1.00 0.00 C ATOM 835 C ILE A 49 4.541 19.863 0.105 1.00 0.00 C ATOM 836 O ILE A 49 5.340 20.683 0.555 1.00 0.00 O ATOM 837 CB ILE A 49 4.048 17.414 0.674 1.00 0.00 C ATOM 838 CG1 ILE A 49 4.086 17.672 2.182 1.00 0.00 C ATOM 839 CG2 ILE A 49 4.412 15.969 0.331 1.00 0.00 C ATOM 840 CD1 ILE A 49 2.672 17.763 2.759 1.00 0.00 C ATOM 0 H ILE A 49 6.480 17.552 1.079 1.00 0.00 H new ATOM 0 HA ILE A 49 4.830 18.162 -1.130 1.00 0.00 H new ATOM 0 HB ILE A 49 3.021 17.574 0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.634 16.871 2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.625 18.598 2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.757 15.290 0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.292 15.808 -0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.448 15.778 0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.728 17.947 3.832 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.135 18.581 2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.144 16.827 2.578 1.00 0.00 H new ATOM 852 N ASP A 50 3.298 20.147 -0.256 1.00 0.00 N ATOM 853 CA ASP A 50 2.775 21.497 -0.141 1.00 0.00 C ATOM 854 C ASP A 50 2.133 21.675 1.236 1.00 0.00 C ATOM 855 O ASP A 50 0.911 21.627 1.367 1.00 0.00 O ATOM 856 CB ASP A 50 1.703 21.765 -1.200 1.00 0.00 C ATOM 857 CG ASP A 50 2.229 22.316 -2.527 1.00 0.00 C ATOM 858 OD1 ASP A 50 3.143 21.744 -3.139 1.00 0.00 O ATOM 859 OD2 ASP A 50 1.652 23.395 -2.936 1.00 0.00 O ATOM 0 H ASP A 50 2.638 19.464 -0.628 1.00 0.00 H new ATOM 0 HA ASP A 50 3.603 22.192 -0.282 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.167 20.836 -1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.979 22.471 -0.792 1.00 0.00 H new ATOM 865 N HIS A 51 2.987 21.878 2.229 1.00 0.00 N ATOM 866 CA HIS A 51 2.518 22.063 3.592 1.00 0.00 C ATOM 867 C HIS A 51 1.315 23.008 3.597 1.00 0.00 C ATOM 868 O HIS A 51 0.190 22.584 3.862 1.00 0.00 O ATOM 869 CB HIS A 51 3.655 22.547 4.496 1.00 0.00 C ATOM 870 CG HIS A 51 3.453 22.230 5.959 1.00 0.00 C ATOM 871 ND1 HIS A 51 3.454 20.938 6.454 1.00 0.00 N ATOM 872 CD2 HIS A 51 3.244 23.052 7.028 1.00 0.00 C ATOM 873 CE1 HIS A 51 3.254 20.991 7.762 1.00 0.00 C ATOM 874 NE2 HIS A 51 3.123 22.302 8.116 1.00 0.00 N ATOM 0 H HIS A 51 4.000 21.918 2.117 1.00 0.00 H new ATOM 0 HA HIS A 51 2.188 21.108 4.000 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.589 22.094 4.162 1.00 0.00 H new ATOM 0 HB3 HIS A 51 3.764 23.625 4.380 1.00 0.00 H new ATOM 0 HD2 HIS A 51 3.187 24.130 6.994 1.00 0.00 H new ATOM 0 HE1 HIS A 51 3.203 20.145 8.431 1.00 0.00 H new ATOM 0 HE2 HIS A 51 2.959 22.649 9.061 1.00 0.00 H new ATOM 882 N ALA A 52 1.591 24.269 3.301 1.00 0.00 N ATOM 883 CA ALA A 52 0.545 25.277 3.268 1.00 0.00 C ATOM 884 C ALA A 52 0.037 25.525 4.690 1.00 0.00 C ATOM 885 O ALA A 52 0.615 25.028 5.655 1.00 0.00 O ATOM 886 CB ALA A 52 -0.569 24.826 2.321 1.00 0.00 C ATOM 0 H ALA A 52 2.525 24.616 3.082 1.00 0.00 H new ATOM 0 HA ALA A 52 0.934 26.221 2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.354 25.582 2.296 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.162 24.692 1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.986 23.882 2.673 1.00 0.00 H new ATOM 892 N LYS A 53 -1.040 26.293 4.774 1.00 0.00 N ATOM 893 CA LYS A 53 -1.632 26.613 6.061 1.00 0.00 C ATOM 894 C LYS A 53 -3.156 26.522 5.953 1.00 0.00 C ATOM 895 O LYS A 53 -3.714 25.427 5.907 1.00 0.00 O ATOM 896 CB LYS A 53 -1.131 27.970 6.559 1.00 0.00 C ATOM 897 CG LYS A 53 -1.068 28.985 5.416 1.00 0.00 C ATOM 898 CD LYS A 53 0.381 29.346 5.082 1.00 0.00 C ATOM 899 CE LYS A 53 0.552 29.596 3.583 1.00 0.00 C ATOM 900 NZ LYS A 53 1.562 28.674 3.015 1.00 0.00 N ATOM 0 H LYS A 53 -1.518 26.703 3.971 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.321 25.889 6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.792 28.340 7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.142 27.856 7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.557 28.574 4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.616 29.885 5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.675 30.236 5.639 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.043 28.539 5.398 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.402 29.458 3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.857 30.628 3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.415 29.210 2.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.807 27.951 3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.174 28.213 2.167 1.00 0.00 H new ATOM 913 N VAL A 54 -3.785 27.688 5.916 1.00 0.00 N ATOM 914 CA VAL A 54 -5.233 27.754 5.814 1.00 0.00 C ATOM 915 C VAL A 54 -5.626 28.009 4.358 1.00 0.00 C ATOM 916 O VAL A 54 -6.400 28.921 4.071 1.00 0.00 O ATOM 917 CB VAL A 54 -5.777 28.813 6.775 1.00 0.00 C ATOM 918 CG1 VAL A 54 -5.467 28.447 8.228 1.00 0.00 C ATOM 919 CG2 VAL A 54 -5.229 30.199 6.430 1.00 0.00 C ATOM 0 H VAL A 54 -3.318 28.594 5.955 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.681 26.805 6.110 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.861 28.843 6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.865 29.216 8.890 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.927 27.489 8.468 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.388 28.375 8.363 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.631 30.933 7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.141 30.188 6.501 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.524 30.464 5.415 1.00 0.00 H new ATOM 929 N ARG A 55 -5.076 27.186 3.477 1.00 0.00 N ATOM 930 CA ARG A 55 -5.360 27.312 2.058 1.00 0.00 C ATOM 931 C ARG A 55 -5.427 28.787 1.658 1.00 0.00 C ATOM 932 O ARG A 55 -6.499 29.390 1.678 1.00 0.00 O ATOM 933 CB ARG A 55 -6.683 26.632 1.698 1.00 0.00 C ATOM 934 CG ARG A 55 -6.488 25.614 0.573 1.00 0.00 C ATOM 935 CD ARG A 55 -6.372 26.311 -0.784 1.00 0.00 C ATOM 936 NE ARG A 55 -7.234 25.633 -1.777 1.00 0.00 N ATOM 937 CZ ARG A 55 -8.582 25.598 -1.710 1.00 0.00 C ATOM 938 NH1 ARG A 55 -9.234 26.203 -0.694 1.00 0.00 N ATOM 939 NH2 ARG A 55 -9.254 24.963 -2.652 1.00 0.00 N ATOM 0 H ARG A 55 -4.436 26.430 3.719 1.00 0.00 H new ATOM 0 HA ARG A 55 -4.553 26.821 1.514 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.091 26.134 2.577 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.411 27.383 1.391 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.590 25.026 0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.327 24.918 0.558 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.664 27.357 -0.691 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.336 26.298 -1.121 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.782 25.163 -2.561 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.708 26.691 0.031 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.253 26.172 -0.651 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.755 24.508 -3.416 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.273 24.927 -2.616 1.00 0.00 H new ATOM 952 N LYS A 56 -4.269 29.325 1.304 1.00 0.00 N ATOM 953 CA LYS A 56 -4.184 30.718 0.900 1.00 0.00 C ATOM 954 C LYS A 56 -5.105 30.955 -0.297 1.00 0.00 C ATOM 955 O LYS A 56 -4.675 30.855 -1.446 1.00 0.00 O ATOM 956 CB LYS A 56 -2.728 31.113 0.644 1.00 0.00 C ATOM 957 CG LYS A 56 -2.117 30.261 -0.470 1.00 0.00 C ATOM 958 CD LYS A 56 -1.430 31.139 -1.518 1.00 0.00 C ATOM 959 CE LYS A 56 -0.021 30.627 -1.824 1.00 0.00 C ATOM 960 NZ LYS A 56 0.993 31.457 -1.136 1.00 0.00 N ATOM 0 H LYS A 56 -3.382 28.821 1.289 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.531 31.369 1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.676 32.167 0.371 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.148 30.992 1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.395 29.564 -0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.896 29.664 -0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.023 31.151 -2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.377 32.167 -1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.072 29.589 -1.505 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.154 30.646 -2.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.944 31.096 -1.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.914 32.442 -1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.835 31.417 -0.109 1.00 0.00 H new ATOM 973 N HIS A 57 -6.356 31.265 0.011 1.00 0.00 N ATOM 974 CA HIS A 57 -7.342 31.517 -1.026 1.00 0.00 C ATOM 975 C HIS A 57 -7.983 32.888 -0.803 1.00 0.00 C ATOM 976 O HIS A 57 -7.285 33.899 -0.730 1.00 0.00 O ATOM 977 CB HIS A 57 -8.370 30.385 -1.085 1.00 0.00 C ATOM 978 CG HIS A 57 -9.254 30.421 -2.309 1.00 0.00 C ATOM 979 ND1 HIS A 57 -10.603 30.580 -2.430 1.00 0.00 N flip ATOM 980 CD2 HIS A 57 -8.760 30.283 -3.595 1.00 0.00 C flip ATOM 981 CE1 HIS A 57 -10.916 30.542 -3.719 1.00 0.00 C flip ATOM 982 NE2 HIS A 57 -9.775 30.358 -4.443 1.00 0.00 N flip ATOM 0 H HIS A 57 -6.709 31.347 0.964 1.00 0.00 H new ATOM 0 HA HIS A 57 -6.853 31.537 -2.000 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.846 29.430 -1.056 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.997 30.431 -0.195 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.723 30.139 -3.862 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.911 30.641 -4.128 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.714 30.290 -5.459 1.00 0.00 H new ATOM 990 N GLN A 58 -9.304 32.879 -0.701 1.00 0.00 N ATOM 991 CA GLN A 58 -10.046 34.110 -0.488 1.00 0.00 C ATOM 992 C GLN A 58 -11.261 33.849 0.404 1.00 0.00 C ATOM 993 O GLN A 58 -12.059 32.955 0.127 1.00 0.00 O ATOM 994 CB GLN A 58 -10.468 34.734 -1.820 1.00 0.00 C ATOM 995 CG GLN A 58 -9.336 35.574 -2.414 1.00 0.00 C ATOM 996 CD GLN A 58 -9.712 37.057 -2.443 1.00 0.00 C ATOM 997 OE1 GLN A 58 -10.165 37.590 -3.443 1.00 0.00 O ATOM 998 NE2 GLN A 58 -9.499 37.692 -1.294 1.00 0.00 N ATOM 0 H GLN A 58 -9.879 32.039 -0.762 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.394 34.822 0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.749 33.948 -2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -11.349 35.358 -1.671 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.429 35.436 -1.826 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -9.115 35.231 -3.425 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.117 37.186 -0.495 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.717 38.685 -1.212 1.00 0.00 H new ATOM 1007 N ARG A 59 -11.363 34.645 1.458 1.00 0.00 N ATOM 1008 CA ARG A 59 -12.467 34.512 2.393 1.00 0.00 C ATOM 1009 C ARG A 59 -13.803 34.624 1.656 1.00 0.00 C ATOM 1010 O ARG A 59 -14.075 35.633 1.006 1.00 0.00 O ATOM 1011 CB ARG A 59 -12.401 35.585 3.481 1.00 0.00 C ATOM 1012 CG ARG A 59 -12.582 36.982 2.885 1.00 0.00 C ATOM 1013 CD ARG A 59 -12.090 38.060 3.853 1.00 0.00 C ATOM 1014 NE ARG A 59 -11.501 39.188 3.098 1.00 0.00 N ATOM 1015 CZ ARG A 59 -11.390 40.445 3.578 1.00 0.00 C ATOM 1016 NH1 ARG A 59 -11.827 40.745 4.820 1.00 0.00 N ATOM 1017 NH2 ARG A 59 -10.847 41.376 2.816 1.00 0.00 N ATOM 0 H ARG A 59 -10.699 35.385 1.685 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.388 33.531 2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.175 35.401 4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.442 35.527 3.996 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.034 37.054 1.946 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.634 37.149 2.654 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -12.918 38.415 4.466 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.348 37.639 4.532 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.157 39.004 2.155 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.245 40.019 5.403 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.740 41.697 5.175 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.519 41.141 1.879 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.756 42.331 3.164 1.00 0.00 H new ATOM 1030 N LYS A 60 -14.603 33.575 1.782 1.00 0.00 N ATOM 1031 CA LYS A 60 -15.904 33.544 1.136 1.00 0.00 C ATOM 1032 C LYS A 60 -16.824 34.570 1.801 1.00 0.00 C ATOM 1033 O LYS A 60 -16.375 35.375 2.615 1.00 0.00 O ATOM 1034 CB LYS A 60 -16.468 32.121 1.135 1.00 0.00 C ATOM 1035 CG LYS A 60 -16.980 31.734 2.524 1.00 0.00 C ATOM 1036 CD LYS A 60 -16.558 30.309 2.887 1.00 0.00 C ATOM 1037 CE LYS A 60 -17.064 29.925 4.279 1.00 0.00 C ATOM 1038 NZ LYS A 60 -15.991 29.265 5.056 1.00 0.00 N ATOM 0 H LYS A 60 -14.375 32.740 2.322 1.00 0.00 H new ATOM 0 HA LYS A 60 -15.815 33.828 0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -17.279 32.048 0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -15.695 31.420 0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -16.592 32.432 3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -18.067 31.813 2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.950 29.610 2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.471 30.229 2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.408 30.815 4.806 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -17.920 29.257 4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.351 29.011 5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.682 28.405 4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.185 29.915 5.157 1.00 0.00 H new ATOM 1051 N PHE A 61 -18.094 34.506 1.430 1.00 0.00 N ATOM 1052 CA PHE A 61 -19.081 35.420 1.981 1.00 0.00 C ATOM 1053 C PHE A 61 -20.501 34.905 1.737 1.00 0.00 C ATOM 1054 O PHE A 61 -20.891 34.668 0.595 1.00 0.00 O ATOM 1055 CB PHE A 61 -18.905 36.757 1.258 1.00 0.00 C ATOM 1056 CG PHE A 61 -19.184 36.694 -0.245 1.00 0.00 C ATOM 1057 CD1 PHE A 61 -18.318 36.047 -1.071 1.00 0.00 C ATOM 1058 CD2 PHE A 61 -20.298 37.284 -0.755 1.00 0.00 C ATOM 1059 CE1 PHE A 61 -18.577 35.988 -2.466 1.00 0.00 C ATOM 1060 CE2 PHE A 61 -20.557 37.225 -2.150 1.00 0.00 C ATOM 1061 CZ PHE A 61 -19.691 36.578 -2.976 1.00 0.00 C ATOM 0 H PHE A 61 -18.463 33.836 0.755 1.00 0.00 H new ATOM 0 HA PHE A 61 -18.938 35.517 3.057 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -19.570 37.493 1.710 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -17.886 37.111 1.413 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -17.433 35.578 -0.666 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -20.986 37.797 -0.099 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -17.889 35.475 -3.122 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -21.442 37.694 -2.555 1.00 0.00 H new ATOM 0 HZ PHE A 61 -19.888 36.533 -4.037 1.00 0.00 H new ATOM 1071 N LEU A 62 -21.234 34.746 2.829 1.00 0.00 N ATOM 1072 CA LEU A 62 -22.602 34.264 2.748 1.00 0.00 C ATOM 1073 C LEU A 62 -23.478 35.333 2.091 1.00 0.00 C ATOM 1074 O LEU A 62 -23.016 36.443 1.828 1.00 0.00 O ATOM 1075 CB LEU A 62 -23.098 33.825 4.127 1.00 0.00 C ATOM 1076 CG LEU A 62 -23.482 34.950 5.091 1.00 0.00 C ATOM 1077 CD1 LEU A 62 -24.993 34.975 5.330 1.00 0.00 C ATOM 1078 CD2 LEU A 62 -22.696 34.843 6.399 1.00 0.00 C ATOM 0 H LEU A 62 -20.906 34.942 3.775 1.00 0.00 H new ATOM 0 HA LEU A 62 -22.656 33.376 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -23.965 33.179 3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -22.321 33.221 4.596 1.00 0.00 H new ATOM 0 HG LEU A 62 -23.213 35.901 4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -25.239 35.783 6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -25.509 35.135 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -25.309 34.024 5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -22.988 35.654 7.066 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -22.911 33.886 6.875 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -21.629 34.912 6.189 1.00 0.00 H new ATOM 1090 N GLN A 63 -24.725 34.962 1.845 1.00 0.00 N ATOM 1091 CA GLN A 63 -25.669 35.875 1.224 1.00 0.00 C ATOM 1092 C GLN A 63 -26.144 36.919 2.238 1.00 0.00 C ATOM 1093 O GLN A 63 -26.870 36.593 3.175 1.00 0.00 O ATOM 1094 CB GLN A 63 -26.854 35.115 0.625 1.00 0.00 C ATOM 1095 CG GLN A 63 -26.431 34.335 -0.621 1.00 0.00 C ATOM 1096 CD GLN A 63 -26.756 32.847 -0.473 1.00 0.00 C ATOM 1097 OE1 GLN A 63 -27.668 32.452 0.235 1.00 0.00 O ATOM 1098 NE2 GLN A 63 -25.962 32.047 -1.178 1.00 0.00 N ATOM 0 H GLN A 63 -25.104 34.041 2.065 1.00 0.00 H new ATOM 0 HA GLN A 63 -25.162 36.392 0.410 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -27.263 34.429 1.367 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -27.648 35.816 0.368 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -26.941 34.737 -1.497 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -25.362 34.462 -0.789 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -25.217 32.444 -1.751 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -26.098 31.037 -1.146 1.00 0.00 H new ATOM 1107 N ALA A 64 -25.713 38.152 2.015 1.00 0.00 N ATOM 1108 CA ALA A 64 -26.084 39.245 2.897 1.00 0.00 C ATOM 1109 C ALA A 64 -27.415 39.841 2.432 1.00 0.00 C ATOM 1110 O ALA A 64 -27.795 40.929 2.860 1.00 0.00 O ATOM 1111 CB ALA A 64 -24.960 40.282 2.927 1.00 0.00 C ATOM 0 H ALA A 64 -25.110 38.418 1.236 1.00 0.00 H new ATOM 0 HA ALA A 64 -26.222 38.885 3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -25.239 41.102 3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -24.045 39.816 3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -24.794 40.668 1.921 1.00 0.00 H new ATOM 1117 N ILE A 65 -28.086 39.101 1.561 1.00 0.00 N ATOM 1118 CA ILE A 65 -29.365 39.542 1.034 1.00 0.00 C ATOM 1119 C ILE A 65 -29.211 40.943 0.439 1.00 0.00 C ATOM 1120 O ILE A 65 -29.362 41.941 1.143 1.00 0.00 O ATOM 1121 CB ILE A 65 -30.450 39.447 2.108 1.00 0.00 C ATOM 1122 CG1 ILE A 65 -31.168 38.097 2.044 1.00 0.00 C ATOM 1123 CG2 ILE A 65 -31.426 40.620 2.008 1.00 0.00 C ATOM 1124 CD1 ILE A 65 -31.842 37.770 3.378 1.00 0.00 C ATOM 0 H ILE A 65 -27.767 38.199 1.208 1.00 0.00 H new ATOM 0 HA ILE A 65 -29.690 38.886 0.227 1.00 0.00 H new ATOM 0 HB ILE A 65 -29.970 39.511 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -31.915 38.116 1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -30.454 37.313 1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -32.187 40.527 2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -30.884 41.556 2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -31.904 40.613 1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -32.345 36.806 3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -31.089 37.728 4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -32.573 38.543 3.616 1.00 0.00 H new ATOM 1136 N HIS A 66 -28.911 40.974 -0.852 1.00 0.00 N ATOM 1137 CA HIS A 66 -28.735 42.236 -1.549 1.00 0.00 C ATOM 1138 C HIS A 66 -30.020 42.593 -2.298 1.00 0.00 C ATOM 1139 O HIS A 66 -30.159 42.287 -3.481 1.00 0.00 O ATOM 1140 CB HIS A 66 -27.510 42.184 -2.465 1.00 0.00 C ATOM 1141 CG HIS A 66 -27.100 43.528 -3.019 1.00 0.00 C ATOM 1142 ND1 HIS A 66 -27.973 44.354 -3.706 1.00 0.00 N ATOM 1143 CD2 HIS A 66 -25.903 44.181 -2.980 1.00 0.00 C ATOM 1144 CE1 HIS A 66 -27.320 45.451 -4.060 1.00 0.00 C ATOM 1145 NE2 HIS A 66 -26.037 45.341 -3.610 1.00 0.00 N ATOM 0 H HIS A 66 -28.786 40.145 -1.433 1.00 0.00 H new ATOM 0 HA HIS A 66 -28.544 43.030 -0.827 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -26.673 41.760 -1.911 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -27.718 41.508 -3.295 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -24.999 43.816 -2.515 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -27.731 46.286 -4.608 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -25.302 46.036 -3.737 1.00 0.00 H new ATOM 1153 N GLN A 67 -30.927 43.236 -1.577 1.00 0.00 N ATOM 1154 CA GLN A 67 -32.197 43.638 -2.159 1.00 0.00 C ATOM 1155 C GLN A 67 -32.544 45.068 -1.739 1.00 0.00 C ATOM 1156 O GLN A 67 -32.235 45.484 -0.623 1.00 0.00 O ATOM 1157 CB GLN A 67 -33.312 42.666 -1.767 1.00 0.00 C ATOM 1158 CG GLN A 67 -33.604 42.743 -0.267 1.00 0.00 C ATOM 1159 CD GLN A 67 -34.776 41.834 0.110 1.00 0.00 C ATOM 1160 OE1 GLN A 67 -35.357 41.151 -0.718 1.00 0.00 O ATOM 1161 NE2 GLN A 67 -35.089 41.864 1.402 1.00 0.00 N ATOM 0 H GLN A 67 -30.808 43.488 -0.596 1.00 0.00 H new ATOM 0 HA GLN A 67 -32.102 43.611 -3.244 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -34.216 42.898 -2.330 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -33.023 41.649 -2.033 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -32.717 42.451 0.295 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -33.833 43.772 0.010 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -34.561 42.459 2.041 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -35.857 41.292 1.754 1.00 0.00 H new ATOM 1170 N LEU A 68 -33.182 45.782 -2.655 1.00 0.00 N ATOM 1171 CA LEU A 68 -33.574 47.156 -2.394 1.00 0.00 C ATOM 1172 C LEU A 68 -34.560 47.187 -1.224 1.00 0.00 C ATOM 1173 O LEU A 68 -35.364 46.270 -1.061 1.00 0.00 O ATOM 1174 CB LEU A 68 -34.111 47.812 -3.668 1.00 0.00 C ATOM 1175 CG LEU A 68 -35.486 47.335 -4.139 1.00 0.00 C ATOM 1176 CD1 LEU A 68 -36.600 48.195 -3.538 1.00 0.00 C ATOM 1177 CD2 LEU A 68 -35.558 47.291 -5.667 1.00 0.00 C ATOM 0 H LEU A 68 -33.437 45.434 -3.579 1.00 0.00 H new ATOM 0 HA LEU A 68 -32.709 47.749 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -34.158 48.889 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -33.394 47.641 -4.471 1.00 0.00 H new ATOM 0 HG LEU A 68 -35.635 46.317 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -37.567 47.835 -3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -36.562 48.132 -2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -36.466 49.232 -3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -36.546 46.949 -5.975 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -35.378 48.288 -6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -34.801 46.605 -6.047 1.00 0.00 H new ATOM 1189 N ARG A 69 -34.467 48.252 -0.441 1.00 0.00 N ATOM 1190 CA ARG A 69 -35.340 48.414 0.708 1.00 0.00 C ATOM 1191 C ARG A 69 -36.123 49.725 0.599 1.00 0.00 C ATOM 1192 O ARG A 69 -35.737 50.733 1.189 1.00 0.00 O ATOM 1193 CB ARG A 69 -34.541 48.413 2.013 1.00 0.00 C ATOM 1194 CG ARG A 69 -34.533 47.021 2.649 1.00 0.00 C ATOM 1195 CD ARG A 69 -33.405 46.894 3.675 1.00 0.00 C ATOM 1196 NE ARG A 69 -33.970 46.654 5.022 1.00 0.00 N ATOM 1197 CZ ARG A 69 -34.288 45.433 5.503 1.00 0.00 C ATOM 1198 NH1 ARG A 69 -34.097 44.329 4.749 1.00 0.00 N ATOM 1199 NH2 ARG A 69 -34.786 45.335 6.721 1.00 0.00 N ATOM 0 H ARG A 69 -33.800 49.011 -0.580 1.00 0.00 H new ATOM 0 HA ARG A 69 -36.032 47.572 0.719 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -33.518 48.733 1.817 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -34.973 49.132 2.709 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -35.492 46.832 3.132 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -34.412 46.264 1.874 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -32.742 46.074 3.399 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -32.803 47.803 3.681 1.00 0.00 H new ATOM 0 HE ARG A 69 -34.129 47.461 5.625 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -33.710 44.414 3.809 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -34.340 43.410 5.119 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -34.925 46.174 7.284 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -35.032 44.420 7.100 1.00 0.00 H new ATOM 1212 N SER A 70 -37.208 49.668 -0.159 1.00 0.00 N ATOM 1213 CA SER A 70 -38.047 50.838 -0.353 1.00 0.00 C ATOM 1214 C SER A 70 -39.466 50.407 -0.731 1.00 0.00 C ATOM 1215 O SER A 70 -39.648 49.540 -1.585 1.00 0.00 O ATOM 1216 CB SER A 70 -37.468 51.760 -1.428 1.00 0.00 C ATOM 1217 OG SER A 70 -36.123 52.135 -1.141 1.00 0.00 O ATOM 0 H SER A 70 -37.525 48.830 -0.646 1.00 0.00 H new ATOM 0 HA SER A 70 -38.080 51.394 0.584 1.00 0.00 H new ATOM 0 HB2 SER A 70 -37.506 51.258 -2.395 1.00 0.00 H new ATOM 0 HB3 SER A 70 -38.085 52.655 -1.509 1.00 0.00 H new ATOM 0 HG SER A 70 -35.788 52.722 -1.851 1.00 0.00 H new ATOM 1223 N VAL A 71 -40.434 51.032 -0.077 1.00 0.00 N ATOM 1224 CA VAL A 71 -41.830 50.724 -0.335 1.00 0.00 C ATOM 1225 C VAL A 71 -42.394 51.731 -1.339 1.00 0.00 C ATOM 1226 O VAL A 71 -43.605 51.933 -1.408 1.00 0.00 O ATOM 1227 CB VAL A 71 -42.610 50.692 0.981 1.00 0.00 C ATOM 1228 CG1 VAL A 71 -42.940 52.108 1.458 1.00 0.00 C ATOM 1229 CG2 VAL A 71 -43.880 49.849 0.846 1.00 0.00 C ATOM 0 H VAL A 71 -40.279 51.750 0.631 1.00 0.00 H new ATOM 0 HA VAL A 71 -41.926 49.734 -0.780 1.00 0.00 H new ATOM 0 HB VAL A 71 -41.976 50.224 1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -43.494 52.056 2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -42.016 52.664 1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -43.545 52.614 0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -44.415 49.843 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -44.519 50.275 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -43.612 48.828 0.574 1.00 0.00 H new ATOM 1239 N LYS A 72 -41.488 52.337 -2.092 1.00 0.00 N ATOM 1240 CA LYS A 72 -41.879 53.319 -3.090 1.00 0.00 C ATOM 1241 C LYS A 72 -42.109 52.615 -4.429 1.00 0.00 C ATOM 1242 O LYS A 72 -42.118 51.387 -4.495 1.00 0.00 O ATOM 1243 CB LYS A 72 -40.853 54.452 -3.158 1.00 0.00 C ATOM 1244 CG LYS A 72 -41.293 55.643 -2.305 1.00 0.00 C ATOM 1245 CD LYS A 72 -42.345 56.481 -3.034 1.00 0.00 C ATOM 1246 CE LYS A 72 -42.297 57.940 -2.575 1.00 0.00 C ATOM 1247 NZ LYS A 72 -41.777 58.806 -3.657 1.00 0.00 N ATOM 0 H LYS A 72 -40.484 52.167 -2.031 1.00 0.00 H new ATOM 0 HA LYS A 72 -42.821 53.791 -2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -39.884 54.091 -2.813 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -40.724 54.769 -4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -41.699 55.287 -1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -40.429 56.264 -2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -42.176 56.428 -4.110 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -43.337 56.069 -2.847 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -43.295 58.269 -2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -41.663 58.029 -1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -41.751 59.793 -3.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -40.817 58.501 -3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -42.398 58.734 -4.488 1.00 0.00 H new ATOM 1260 N MET A 73 -42.288 53.424 -5.463 1.00 0.00 N ATOM 1261 CA MET A 73 -42.517 52.895 -6.796 1.00 0.00 C ATOM 1262 C MET A 73 -41.649 53.616 -7.829 1.00 0.00 C ATOM 1263 O MET A 73 -41.003 54.614 -7.514 1.00 0.00 O ATOM 1264 CB MET A 73 -43.993 53.059 -7.165 1.00 0.00 C ATOM 1265 CG MET A 73 -44.370 54.538 -7.272 1.00 0.00 C ATOM 1266 SD MET A 73 -45.947 54.709 -8.089 1.00 0.00 S ATOM 1267 CE MET A 73 -47.012 53.961 -6.867 1.00 0.00 C ATOM 0 H MET A 73 -42.279 54.442 -5.404 1.00 0.00 H new ATOM 0 HA MET A 73 -42.249 51.839 -6.798 1.00 0.00 H new ATOM 0 HB2 MET A 73 -44.192 52.560 -8.113 1.00 0.00 H new ATOM 0 HB3 MET A 73 -44.616 52.575 -6.413 1.00 0.00 H new ATOM 0 HG2 MET A 73 -44.416 54.983 -6.278 1.00 0.00 H new ATOM 0 HG3 MET A 73 -43.603 55.078 -7.827 1.00 0.00 H new ATOM 0 HE1 MET A 73 -48.051 54.201 -7.094 1.00 0.00 H new ATOM 0 HE2 MET A 73 -46.878 52.879 -6.881 1.00 0.00 H new ATOM 0 HE3 MET A 73 -46.758 54.345 -5.879 1.00 0.00 H new ATOM 1277 N GLU A 74 -41.663 53.083 -9.042 1.00 0.00 N ATOM 1278 CA GLU A 74 -40.885 53.664 -10.124 1.00 0.00 C ATOM 1279 C GLU A 74 -40.941 55.191 -10.057 1.00 0.00 C ATOM 1280 O GLU A 74 -42.004 55.768 -9.831 1.00 0.00 O ATOM 1281 CB GLU A 74 -41.371 53.156 -11.483 1.00 0.00 C ATOM 1282 CG GLU A 74 -42.786 53.657 -11.781 1.00 0.00 C ATOM 1283 CD GLU A 74 -43.403 52.891 -12.953 1.00 0.00 C ATOM 1284 OE1 GLU A 74 -44.266 52.026 -12.743 1.00 0.00 O ATOM 1285 OE2 GLU A 74 -42.955 53.222 -14.117 1.00 0.00 O ATOM 0 H GLU A 74 -42.201 52.255 -9.300 1.00 0.00 H new ATOM 0 HA GLU A 74 -39.847 53.353 -10.007 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -40.690 53.491 -12.265 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -41.357 52.066 -11.494 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -43.411 53.540 -10.896 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -42.758 54.722 -12.012 1.00 0.00 H new ATOM 1293 N GLN A 75 -39.783 55.803 -10.258 1.00 0.00 N ATOM 1294 CA GLN A 75 -39.688 57.253 -10.224 1.00 0.00 C ATOM 1295 C GLN A 75 -40.486 57.865 -11.377 1.00 0.00 C ATOM 1296 O GLN A 75 -40.933 57.153 -12.274 1.00 0.00 O ATOM 1297 CB GLN A 75 -38.227 57.707 -10.267 1.00 0.00 C ATOM 1298 CG GLN A 75 -37.763 58.190 -8.892 1.00 0.00 C ATOM 1299 CD GLN A 75 -37.561 59.707 -8.883 1.00 0.00 C ATOM 1300 OE1 GLN A 75 -38.468 60.478 -8.615 1.00 0.00 O ATOM 1301 NE2 GLN A 75 -36.325 60.090 -9.189 1.00 0.00 N ATOM 0 H GLN A 75 -38.903 55.322 -10.445 1.00 0.00 H new ATOM 0 HA GLN A 75 -40.117 57.604 -9.285 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -37.596 56.883 -10.599 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -38.113 58.509 -10.996 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -38.500 57.913 -8.138 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -36.830 57.694 -8.624 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -35.613 59.392 -9.403 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -36.089 61.082 -9.209 1.00 0.00 H new ATOM 1310 N ARG A 76 -40.641 59.179 -11.314 1.00 0.00 N ATOM 1311 CA ARG A 76 -41.378 59.896 -12.341 1.00 0.00 C ATOM 1312 C ARG A 76 -42.795 59.334 -12.467 1.00 0.00 C ATOM 1313 O ARG A 76 -43.193 58.876 -13.537 1.00 0.00 O ATOM 1314 CB ARG A 76 -40.674 59.794 -13.696 1.00 0.00 C ATOM 1315 CG ARG A 76 -39.310 60.485 -13.659 1.00 0.00 C ATOM 1316 CD ARG A 76 -38.867 60.900 -15.063 1.00 0.00 C ATOM 1317 NE ARG A 76 -38.317 62.274 -15.035 1.00 0.00 N ATOM 1318 CZ ARG A 76 -39.066 63.391 -15.152 1.00 0.00 C ATOM 1319 NH1 ARG A 76 -40.404 63.306 -15.307 1.00 0.00 N ATOM 1320 NH2 ARG A 76 -38.470 64.568 -15.114 1.00 0.00 N ATOM 0 H ARG A 76 -40.269 59.766 -10.568 1.00 0.00 H new ATOM 0 HA ARG A 76 -41.424 60.944 -12.046 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -40.547 58.746 -13.966 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -41.295 60.249 -14.468 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -39.361 61.363 -13.015 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -38.570 59.813 -13.224 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -38.114 60.206 -15.436 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -39.713 60.852 -15.749 1.00 0.00 H new ATOM 0 HE ARG A 76 -37.309 62.384 -14.920 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -40.857 62.393 -15.336 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -40.962 64.155 -15.395 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -37.458 64.624 -14.998 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -39.021 65.422 -15.201 1.00 0.00 H new ATOM 1333 N LYS A 77 -43.519 59.388 -11.358 1.00 0.00 N ATOM 1334 CA LYS A 77 -44.884 58.890 -11.331 1.00 0.00 C ATOM 1335 C LYS A 77 -45.810 59.981 -10.789 1.00 0.00 C ATOM 1336 O LYS A 77 -46.764 60.379 -11.456 1.00 0.00 O ATOM 1337 CB LYS A 77 -44.960 57.576 -10.551 1.00 0.00 C ATOM 1338 CG LYS A 77 -46.413 57.191 -10.265 1.00 0.00 C ATOM 1339 CD LYS A 77 -46.746 55.823 -10.863 1.00 0.00 C ATOM 1340 CE LYS A 77 -47.306 55.965 -12.279 1.00 0.00 C ATOM 1341 NZ LYS A 77 -46.570 55.089 -13.218 1.00 0.00 N ATOM 0 H LYS A 77 -43.186 59.769 -10.472 1.00 0.00 H new ATOM 0 HA LYS A 77 -45.223 58.655 -12.340 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -44.475 56.783 -11.120 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -44.415 57.674 -9.612 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -46.583 57.172 -9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -47.081 57.946 -10.680 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -45.850 55.203 -10.883 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -47.472 55.313 -10.230 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -48.365 55.706 -12.285 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -47.229 57.002 -12.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -46.963 55.198 -14.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -45.564 55.354 -13.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -46.665 54.099 -12.915 1.00 0.00 H new ATOM 1354 N LEU A 78 -45.495 60.435 -9.584 1.00 0.00 N ATOM 1355 CA LEU A 78 -46.287 61.472 -8.945 1.00 0.00 C ATOM 1356 C LEU A 78 -45.456 62.753 -8.847 1.00 0.00 C ATOM 1357 O LEU A 78 -44.234 62.717 -8.982 1.00 0.00 O ATOM 1358 CB LEU A 78 -46.824 60.983 -7.599 1.00 0.00 C ATOM 1359 CG LEU A 78 -45.885 61.146 -6.402 1.00 0.00 C ATOM 1360 CD1 LEU A 78 -46.606 61.805 -5.225 1.00 0.00 C ATOM 1361 CD2 LEU A 78 -45.256 59.807 -6.012 1.00 0.00 C ATOM 0 H LEU A 78 -44.702 60.104 -9.034 1.00 0.00 H new ATOM 0 HA LEU A 78 -47.166 61.706 -9.546 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -47.750 61.517 -7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -47.079 59.928 -7.694 1.00 0.00 H new ATOM 0 HG LEU A 78 -45.072 61.811 -6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -45.916 61.909 -4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -46.965 62.790 -5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -47.451 61.186 -4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -44.593 59.951 -5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -46.042 59.100 -5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -44.685 59.415 -6.853 1.00 0.00 H new ATOM 1373 N ASN A 79 -46.153 63.856 -8.612 1.00 0.00 N ATOM 1374 CA ASN A 79 -45.495 65.146 -8.494 1.00 0.00 C ATOM 1375 C ASN A 79 -46.511 66.190 -8.026 1.00 0.00 C ATOM 1376 O ASN A 79 -46.189 67.052 -7.209 1.00 0.00 O ATOM 1377 CB ASN A 79 -44.934 65.603 -9.841 1.00 0.00 C ATOM 1378 CG ASN A 79 -46.058 66.029 -10.788 1.00 0.00 C ATOM 1379 OD1 ASN A 79 -46.873 65.232 -11.224 1.00 0.00 O ATOM 1380 ND2 ASN A 79 -46.057 67.326 -11.080 1.00 0.00 N ATOM 0 H ASN A 79 -47.167 63.882 -8.500 1.00 0.00 H new ATOM 0 HA ASN A 79 -44.678 65.044 -7.779 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -44.247 66.435 -9.689 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -44.360 64.794 -10.293 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -46.768 67.709 -11.703 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -45.346 67.938 -10.681 1.00 0.00 H new ATOM 1387 N ASP A 80 -47.717 66.079 -8.563 1.00 0.00 N ATOM 1388 CA ASP A 80 -48.781 67.003 -8.211 1.00 0.00 C ATOM 1389 C ASP A 80 -50.110 66.245 -8.153 1.00 0.00 C ATOM 1390 O ASP A 80 -50.825 66.162 -9.150 1.00 0.00 O ATOM 1391 CB ASP A 80 -48.915 68.113 -9.255 1.00 0.00 C ATOM 1392 CG ASP A 80 -48.947 67.633 -10.708 1.00 0.00 C ATOM 1393 OD1 ASP A 80 -49.275 66.472 -10.991 1.00 0.00 O ATOM 1394 OD2 ASP A 80 -48.610 68.521 -11.582 1.00 0.00 O ATOM 0 H ASP A 80 -47.981 65.363 -9.240 1.00 0.00 H new ATOM 0 HA ASP A 80 -48.538 67.445 -7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -49.828 68.673 -9.053 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -48.083 68.806 -9.135 1.00 0.00 H new ATOM 1400 N GLN A 81 -50.399 65.712 -6.975 1.00 0.00 N ATOM 1401 CA GLN A 81 -51.629 64.965 -6.774 1.00 0.00 C ATOM 1402 C GLN A 81 -51.581 63.646 -7.548 1.00 0.00 C ATOM 1403 O GLN A 81 -51.591 62.571 -6.951 1.00 0.00 O ATOM 1404 CB GLN A 81 -52.848 65.795 -7.180 1.00 0.00 C ATOM 1405 CG GLN A 81 -53.974 65.653 -6.155 1.00 0.00 C ATOM 1406 CD GLN A 81 -55.253 65.132 -6.814 1.00 0.00 C ATOM 1407 OE1 GLN A 81 -55.344 63.992 -7.239 1.00 0.00 O ATOM 1408 NE2 GLN A 81 -56.234 66.028 -6.876 1.00 0.00 N ATOM 0 H GLN A 81 -49.803 65.783 -6.150 1.00 0.00 H new ATOM 0 HA GLN A 81 -51.723 64.738 -5.712 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -52.564 66.844 -7.271 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -53.201 65.474 -8.160 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -53.665 64.971 -5.362 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -54.169 66.618 -5.687 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -56.092 66.966 -6.501 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -57.128 65.777 -7.298 1.00 0.00 H new ATOM 1417 N ALA A 82 -51.529 63.772 -8.866 1.00 0.00 N ATOM 1418 CA ALA A 82 -51.479 62.603 -9.728 1.00 0.00 C ATOM 1419 C ALA A 82 -52.824 61.876 -9.672 1.00 0.00 C ATOM 1420 O ALA A 82 -53.425 61.757 -8.606 1.00 0.00 O ATOM 1421 CB ALA A 82 -50.314 61.707 -9.307 1.00 0.00 C ATOM 0 H ALA A 82 -51.520 64.665 -9.358 1.00 0.00 H new ATOM 0 HA ALA A 82 -51.306 62.897 -10.763 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -50.277 60.830 -9.954 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -49.379 62.261 -9.393 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -50.454 61.390 -8.274 1.00 0.00 H new ATOM 1427 N ASN A 83 -53.257 61.409 -10.834 1.00 0.00 N ATOM 1428 CA ASN A 83 -54.520 60.697 -10.931 1.00 0.00 C ATOM 1429 C ASN A 83 -55.655 61.616 -10.474 1.00 0.00 C ATOM 1430 O ASN A 83 -56.042 61.597 -9.307 1.00 0.00 O ATOM 1431 CB ASN A 83 -54.524 59.459 -10.032 1.00 0.00 C ATOM 1432 CG ASN A 83 -53.672 58.340 -10.637 1.00 0.00 C ATOM 1433 OD1 ASN A 83 -53.954 57.817 -11.702 1.00 0.00 O ATOM 1434 ND2 ASN A 83 -52.618 58.004 -9.899 1.00 0.00 N ATOM 0 H ASN A 83 -52.755 61.510 -11.716 1.00 0.00 H new ATOM 0 HA ASN A 83 -54.656 60.391 -11.968 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -54.141 59.720 -9.046 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -55.547 59.108 -9.894 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -51.988 57.267 -10.216 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -52.440 58.483 -9.016 1.00 0.00 H new ATOM 1441 N THR A 84 -56.157 62.398 -11.419 1.00 0.00 N ATOM 1442 CA THR A 84 -57.240 63.322 -11.128 1.00 0.00 C ATOM 1443 C THR A 84 -57.725 63.996 -12.413 1.00 0.00 C ATOM 1444 O THR A 84 -57.685 65.220 -12.530 1.00 0.00 O ATOM 1445 CB THR A 84 -56.746 64.312 -10.072 1.00 0.00 C ATOM 1446 OG1 THR A 84 -57.927 64.988 -9.650 1.00 0.00 O ATOM 1447 CG2 THR A 84 -55.876 65.420 -10.669 1.00 0.00 C ATOM 0 H THR A 84 -55.834 62.411 -12.386 1.00 0.00 H new ATOM 0 HA THR A 84 -58.108 62.800 -10.724 1.00 0.00 H new ATOM 0 HB THR A 84 -56.179 63.777 -9.310 1.00 0.00 H new ATOM 0 HG1 THR A 84 -57.684 65.836 -9.223 1.00 0.00 H new ATOM 0 HG21 THR A 84 -55.552 66.095 -9.877 1.00 0.00 H new ATOM 0 HG22 THR A 84 -55.003 64.978 -11.149 1.00 0.00 H new ATOM 0 HG23 THR A 84 -56.453 65.977 -11.407 1.00 0.00 H new ATOM 1455 N LEU A 85 -58.173 63.168 -13.345 1.00 0.00 N ATOM 1456 CA LEU A 85 -58.665 63.668 -14.617 1.00 0.00 C ATOM 1457 C LEU A 85 -60.130 63.260 -14.789 1.00 0.00 C ATOM 1458 O LEU A 85 -60.737 63.534 -15.823 1.00 0.00 O ATOM 1459 CB LEU A 85 -57.760 63.207 -15.761 1.00 0.00 C ATOM 1460 CG LEU A 85 -57.548 61.696 -15.881 1.00 0.00 C ATOM 1461 CD1 LEU A 85 -57.992 61.187 -17.254 1.00 0.00 C ATOM 1462 CD2 LEU A 85 -56.098 61.320 -15.571 1.00 0.00 C ATOM 0 H LEU A 85 -58.206 62.153 -13.244 1.00 0.00 H new ATOM 0 HA LEU A 85 -58.633 64.757 -14.635 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -58.180 63.571 -16.699 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -56.786 63.682 -15.642 1.00 0.00 H new ATOM 0 HG LEU A 85 -58.174 61.203 -15.138 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -57.831 60.111 -17.313 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -59.051 61.404 -17.397 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -57.412 61.684 -18.031 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -55.974 60.241 -15.663 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -55.434 61.823 -16.274 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -55.852 61.628 -14.555 1.00 0.00 H new ATOM 1474 N VAL A 86 -60.655 62.612 -13.759 1.00 0.00 N ATOM 1475 CA VAL A 86 -62.036 62.164 -13.783 1.00 0.00 C ATOM 1476 C VAL A 86 -62.606 62.205 -12.363 1.00 0.00 C ATOM 1477 O VAL A 86 -62.799 61.164 -11.738 1.00 0.00 O ATOM 1478 CB VAL A 86 -62.126 60.777 -14.423 1.00 0.00 C ATOM 1479 CG1 VAL A 86 -63.434 60.081 -14.043 1.00 0.00 C ATOM 1480 CG2 VAL A 86 -61.971 60.864 -15.942 1.00 0.00 C ATOM 0 H VAL A 86 -60.148 62.387 -12.903 1.00 0.00 H new ATOM 0 HA VAL A 86 -62.642 62.830 -14.397 1.00 0.00 H new ATOM 0 HB VAL A 86 -61.303 60.175 -14.036 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -63.472 59.097 -14.511 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -63.486 59.970 -12.960 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -64.278 60.679 -14.387 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -62.039 59.865 -16.372 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -62.762 61.491 -16.353 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -61.001 61.299 -16.184 1.00 0.00 H new ATOM 1490 N ASP A 87 -62.858 63.419 -11.896 1.00 0.00 N ATOM 1491 CA ASP A 87 -63.402 63.610 -10.562 1.00 0.00 C ATOM 1492 C ASP A 87 -64.493 64.681 -10.609 1.00 0.00 C ATOM 1493 O ASP A 87 -65.116 64.893 -11.648 1.00 0.00 O ATOM 1494 CB ASP A 87 -62.319 64.079 -9.588 1.00 0.00 C ATOM 1495 CG ASP A 87 -62.434 63.513 -8.172 1.00 0.00 C ATOM 1496 OD1 ASP A 87 -63.203 62.573 -7.920 1.00 0.00 O ATOM 1497 OD2 ASP A 87 -61.683 64.085 -7.293 1.00 0.00 O ATOM 0 H ASP A 87 -62.696 64.280 -12.418 1.00 0.00 H new ATOM 0 HA ASP A 87 -63.804 62.656 -10.222 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -61.344 63.807 -9.994 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -62.349 65.167 -9.532 1.00 0.00 H new ATOM 1503 N LEU A 88 -64.690 65.329 -9.470 1.00 0.00 N ATOM 1504 CA LEU A 88 -65.695 66.374 -9.367 1.00 0.00 C ATOM 1505 C LEU A 88 -67.058 65.739 -9.088 1.00 0.00 C ATOM 1506 O LEU A 88 -67.803 66.211 -8.230 1.00 0.00 O ATOM 1507 CB LEU A 88 -65.674 67.261 -10.614 1.00 0.00 C ATOM 1508 CG LEU A 88 -64.291 67.595 -11.177 1.00 0.00 C ATOM 1509 CD1 LEU A 88 -64.377 68.714 -12.216 1.00 0.00 C ATOM 1510 CD2 LEU A 88 -63.308 67.931 -10.053 1.00 0.00 C ATOM 0 H LEU A 88 -64.171 65.151 -8.610 1.00 0.00 H new ATOM 0 HA LEU A 88 -65.473 67.035 -8.529 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -66.253 66.769 -11.395 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -66.184 68.195 -10.380 1.00 0.00 H new ATOM 0 HG LEU A 88 -63.908 66.711 -11.687 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -63.380 68.931 -12.600 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -65.021 68.399 -13.037 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -64.791 69.610 -11.753 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -62.333 68.165 -10.480 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -63.675 68.792 -9.494 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -63.215 67.076 -9.383 1.00 0.00 H new ATOM 1522 N ALA A 89 -67.343 64.677 -9.827 1.00 0.00 N ATOM 1523 CA ALA A 89 -68.604 63.972 -9.669 1.00 0.00 C ATOM 1524 C ALA A 89 -68.779 63.571 -8.203 1.00 0.00 C ATOM 1525 O ALA A 89 -69.838 63.792 -7.618 1.00 0.00 O ATOM 1526 CB ALA A 89 -68.637 62.766 -10.611 1.00 0.00 C ATOM 0 H ALA A 89 -66.723 64.288 -10.537 1.00 0.00 H new ATOM 0 HA ALA A 89 -69.440 64.618 -9.937 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -69.583 62.237 -10.492 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -68.539 63.107 -11.642 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -67.813 62.094 -10.371 1.00 0.00 H new ATOM 1532 N LYS A 90 -67.725 62.989 -7.651 1.00 0.00 N ATOM 1533 CA LYS A 90 -67.749 62.556 -6.265 1.00 0.00 C ATOM 1534 C LYS A 90 -68.782 61.439 -6.102 1.00 0.00 C ATOM 1535 O LYS A 90 -68.427 60.263 -6.050 1.00 0.00 O ATOM 1536 CB LYS A 90 -67.980 63.748 -5.335 1.00 0.00 C ATOM 1537 CG LYS A 90 -68.096 63.294 -3.878 1.00 0.00 C ATOM 1538 CD LYS A 90 -66.718 63.201 -3.221 1.00 0.00 C ATOM 1539 CE LYS A 90 -66.832 63.274 -1.697 1.00 0.00 C ATOM 1540 NZ LYS A 90 -65.630 62.690 -1.059 1.00 0.00 N ATOM 0 H LYS A 90 -66.848 62.807 -8.139 1.00 0.00 H new ATOM 0 HA LYS A 90 -66.783 62.141 -5.979 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -67.157 64.456 -5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -68.889 64.272 -5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -68.720 63.995 -3.324 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -68.590 62.323 -3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -66.236 62.267 -3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -66.084 64.011 -3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -66.949 64.312 -1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -67.723 62.739 -1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -65.723 62.747 -0.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -65.535 61.694 -1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -64.786 63.218 -1.360 1.00 0.00 H new ATOM 1553 N THR A 91 -70.040 61.848 -6.025 1.00 0.00 N ATOM 1554 CA THR A 91 -71.127 60.897 -5.869 1.00 0.00 C ATOM 1555 C THR A 91 -71.988 60.859 -7.133 1.00 0.00 C ATOM 1556 O THR A 91 -72.845 59.988 -7.279 1.00 0.00 O ATOM 1557 CB THR A 91 -71.911 61.277 -4.611 1.00 0.00 C ATOM 1558 OG1 THR A 91 -72.869 60.232 -4.470 1.00 0.00 O ATOM 1559 CG2 THR A 91 -72.759 62.536 -4.808 1.00 0.00 C ATOM 0 H THR A 91 -70.330 62.825 -6.068 1.00 0.00 H new ATOM 0 HA THR A 91 -70.749 59.883 -5.740 1.00 0.00 H new ATOM 0 HB THR A 91 -71.218 61.432 -3.784 1.00 0.00 H new ATOM 0 HG1 THR A 91 -73.024 59.811 -5.341 1.00 0.00 H new ATOM 0 HG21 THR A 91 -73.295 62.762 -3.886 1.00 0.00 H new ATOM 0 HG22 THR A 91 -72.112 63.374 -5.066 1.00 0.00 H new ATOM 0 HG23 THR A 91 -73.475 62.370 -5.613 1.00 0.00 H new ATOM 1567 N GLN A 92 -71.731 61.814 -8.015 1.00 0.00 N ATOM 1568 CA GLN A 92 -72.472 61.900 -9.262 1.00 0.00 C ATOM 1569 C GLN A 92 -72.274 63.276 -9.902 1.00 0.00 C ATOM 1570 O GLN A 92 -71.771 63.378 -11.020 1.00 0.00 O ATOM 1571 CB GLN A 92 -73.957 61.607 -9.039 1.00 0.00 C ATOM 1572 CG GLN A 92 -74.337 60.239 -9.610 1.00 0.00 C ATOM 1573 CD GLN A 92 -75.706 60.291 -10.291 1.00 0.00 C ATOM 1574 OE1 GLN A 92 -76.270 61.346 -10.529 1.00 0.00 O ATOM 1575 NE2 GLN A 92 -76.208 59.096 -10.589 1.00 0.00 N ATOM 0 H GLN A 92 -71.020 62.535 -7.891 1.00 0.00 H new ATOM 0 HA GLN A 92 -72.086 61.144 -9.945 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -74.181 61.635 -7.973 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -74.560 62.383 -9.512 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -73.582 59.918 -10.327 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -74.352 59.499 -8.810 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -75.683 58.251 -10.362 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -77.118 59.024 -11.045 1.00 0.00 H new TER 1584 GLN A 92