USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 726 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 78 MET CE :methyl -164:sc= -0.0485 (180deg=-0.412) USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 41 THR OG1 : rot 132:sc= 1.35 USER MOD Set 2.2: A 43 SER OG : rot 180:sc= 0.808 USER MOD Set 3.1: A 4 TYR OH : rot 30:sc= 0.837 USER MOD Set 3.2: A 27 CYS SG : rot -131:sc= 0.965 USER MOD Set 4.1: A 9 GLN : amide:sc= 0.364 K(o=0.71,f=-0.12) USER MOD Set 4.2: A 13 ASN : amide:sc= 0.345 K(o=0.71,f=-1.4!) USER MOD Single : A 1 MET CE :methyl -169:sc= 0 (180deg=-0.138) USER MOD Single : A 1 MET N :NH3+ -160:sc= 1.2 (180deg=0.353) USER MOD Single : A 6 THR OG1 : rot 88:sc= 1.23 USER MOD Single : A 12 THR OG1 : rot 76:sc= 1.19 USER MOD Single : A 14 ASN : amide:sc= 1.1 K(o=1.1,f=-1.2) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.447 K(o=0.45,f=-0.76) USER MOD Single : A 24 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.18) USER MOD Single : A 25 SER OG : rot 75:sc= 0.92 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -47:sc= 1.25 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0362 USER MOD Single : A 47 SER OG : rot 88:sc= 1.26 USER MOD Single : A 51 SER OG : rot 96:sc= 1.2 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.000327) USER MOD Single : A 59 ASN : amide:sc= 0.787 K(o=0.79,f=-1.4!) USER MOD Single : A 61 SER OG : rot -44:sc= 1.27 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= 0.835 K(o=0.84,f=-2.8!) USER MOD Single : A 70 SER OG : rot 180:sc= -1.03 USER MOD Single : A 77 THR OG1 : rot 72:sc= 0.811 USER MOD Single : A 84 THR OG1 : rot 73:sc= 0.00557 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.861 14.411 -4.696 1.00 0.00 N0 ATOM 2 CA MET A 1 -0.717 13.792 -5.355 1.00 0.00 C0 ATOM 3 C MET A 1 0.493 14.719 -5.344 1.00 0.00 C0 ATOM 4 O MET A 1 0.939 15.185 -6.392 1.00 0.00 O0 ATOM 5 CB MET A 1 -1.078 13.404 -6.787 1.00 0.00 C0 ATOM 6 CG MET A 1 -2.136 12.316 -6.895 1.00 0.00 C0 ATOM 7 SD MET A 1 -2.493 11.862 -8.605 1.00 0.00 S0 ATOM 8 CE MET A 1 -3.408 13.298 -9.154 1.00 0.00 C0 ATOM 0 H1 MET A 1 -2.540 13.675 -4.415 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.539 14.926 -3.852 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.322 15.075 -5.351 1.00 0.00 H new ATOM 0 HA MET A 1 -0.454 12.891 -4.801 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.431 14.291 -7.313 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.176 13.069 -7.298 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.801 11.433 -6.351 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.053 12.657 -6.415 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.865 13.090 -10.122 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.186 13.533 -8.428 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.731 14.147 -9.247 1.00 0.00 H new ATOM 20 N ALA A 2 1.019 14.983 -4.153 1.00 0.00 N0 ATOM 21 CA ALA A 2 2.153 15.887 -3.999 1.00 0.00 C0 ATOM 22 C ALA A 2 3.423 15.280 -4.583 1.00 0.00 C0 ATOM 23 O ALA A 2 4.115 15.913 -5.380 1.00 0.00 O0 ATOM 24 CB ALA A 2 2.359 16.234 -2.532 1.00 0.00 C0 ATOM 0 H ALA A 2 0.678 14.583 -3.279 1.00 0.00 H new ATOM 0 HA ALA A 2 1.932 16.802 -4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.209 16.909 -2.434 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.463 16.719 -2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.552 15.323 -1.966 1.00 0.00 H new ATOM 30 N GLU A 3 3.723 14.049 -4.182 1.00 0.00 N0 ATOM 31 CA GLU A 3 4.906 13.352 -4.671 1.00 0.00 C0 ATOM 32 C GLU A 3 4.716 12.888 -6.109 1.00 0.00 C0 ATOM 33 O GLU A 3 5.566 13.129 -6.967 1.00 0.00 O0 ATOM 34 CB GLU A 3 5.227 12.153 -3.776 1.00 0.00 C0 ATOM 35 CG GLU A 3 6.493 11.400 -4.162 1.00 0.00 C0 ATOM 36 CD GLU A 3 6.776 10.232 -3.259 1.00 0.00 C0 ATOM 37 OE1 GLU A 3 5.895 9.432 -3.059 1.00 0.00 O0 ATOM 38 OE2 GLU A 3 7.878 10.140 -2.769 1.00 0.00 O1- ATOM 0 H GLU A 3 3.162 13.514 -3.519 1.00 0.00 H new ATOM 0 HA GLU A 3 5.741 14.053 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.324 12.499 -2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.385 11.461 -3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.400 11.045 -5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 3 7.340 12.086 -4.137 1.00 0.00 H new ATOM 45 N TYR A 4 3.597 12.220 -6.368 1.00 0.00 N0 ATOM 46 CA TYR A 4 3.307 11.694 -7.697 1.00 0.00 C0 ATOM 47 C TYR A 4 3.211 12.814 -8.724 1.00 0.00 C0 ATOM 48 O TYR A 4 3.725 12.695 -9.836 1.00 0.00 O0 ATOM 49 CB TYR A 4 2.013 10.878 -7.679 1.00 0.00 C0 ATOM 50 CG TYR A 4 1.720 10.170 -8.983 1.00 0.00 C0 ATOM 51 CD1 TYR A 4 2.468 9.061 -9.354 1.00 0.00 C0 ATOM 52 CD2 TYR A 4 0.704 10.629 -9.808 1.00 0.00 C0 ATOM 53 CE1 TYR A 4 2.199 8.414 -10.544 1.00 0.00 C0 ATOM 54 CE2 TYR A 4 0.436 9.982 -10.999 1.00 0.00 C0 ATOM 55 CZ TYR A 4 1.180 8.879 -11.368 1.00 0.00 C0 ATOM 56 OH TYR A 4 0.914 8.235 -12.554 1.00 0.00 O0 ATOM 0 H TYR A 4 2.875 12.030 -5.674 1.00 0.00 H new ATOM 0 HA TYR A 4 4.131 11.041 -7.985 1.00 0.00 H new ATOM 0 HB2 TYR A 4 2.072 10.139 -6.880 1.00 0.00 H new ATOM 0 HB3 TYR A 4 1.180 11.540 -7.440 1.00 0.00 H new ATOM 0 HD1 TYR A 4 3.260 8.704 -8.712 1.00 0.00 H new ATOM 0 HD2 TYR A 4 0.122 11.492 -9.519 1.00 0.00 H new ATOM 0 HE1 TYR A 4 2.778 7.550 -10.834 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -0.355 10.339 -11.641 1.00 0.00 H new ATOM 0 HH TYR A 4 1.138 7.285 -12.468 1.00 0.00 H new ATOM 66 N GLY A 5 2.551 13.904 -8.344 1.00 0.00 N0 ATOM 67 CA GLY A 5 2.452 15.077 -9.202 1.00 0.00 C0 ATOM 68 C GLY A 5 3.830 15.633 -9.537 1.00 0.00 C0 ATOM 69 O GLY A 5 4.105 15.988 -10.684 1.00 0.00 O0 ATOM 0 H GLY A 5 2.077 13.998 -7.446 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.929 14.815 -10.122 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.858 15.845 -8.706 1.00 0.00 H new ATOM 73 N THR A 6 4.694 15.705 -8.530 1.00 0.00 N0 ATOM 74 CA THR A 6 6.075 16.123 -8.735 1.00 0.00 C0 ATOM 75 C THR A 6 6.799 15.185 -9.693 1.00 0.00 C0 ATOM 76 O THR A 6 7.568 15.626 -10.547 1.00 0.00 O0 ATOM 77 CB THR A 6 6.839 16.188 -7.399 1.00 0.00 C0 ATOM 78 OG1 THR A 6 6.221 17.153 -6.539 1.00 0.00 O0 ATOM 79 CG2 THR A 6 8.291 16.577 -7.633 1.00 0.00 C0 ATOM 0 H THR A 6 4.461 15.479 -7.563 1.00 0.00 H new ATOM 0 HA THR A 6 6.048 17.120 -9.175 1.00 0.00 H new ATOM 0 HB THR A 6 6.809 15.204 -6.932 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.507 16.722 -6.024 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.815 16.618 -6.678 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.767 15.837 -8.277 1.00 0.00 H new ATOM 0 HG23 THR A 6 8.333 17.555 -8.112 1.00 0.00 H new ATOM 87 N LEU A 7 6.547 13.889 -9.546 1.00 0.00 N0 ATOM 88 CA LEU A 7 7.163 12.886 -10.407 1.00 0.00 C0 ATOM 89 C LEU A 7 6.665 13.012 -11.842 1.00 0.00 C0 ATOM 90 O LEU A 7 7.408 12.761 -12.791 1.00 0.00 O0 ATOM 91 CB LEU A 7 6.865 11.478 -9.879 1.00 0.00 C0 ATOM 92 CG LEU A 7 7.531 11.112 -8.546 1.00 0.00 C0 ATOM 93 CD1 LEU A 7 6.986 9.778 -8.054 1.00 0.00 C0 ATOM 94 CD2 LEU A 7 9.039 11.051 -8.734 1.00 0.00 C0 ATOM 0 H LEU A 7 5.920 13.508 -8.838 1.00 0.00 H new ATOM 0 HA LEU A 7 8.240 13.055 -10.399 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.786 11.373 -9.766 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.178 10.754 -10.631 1.00 0.00 H new ATOM 0 HG LEU A 7 7.307 11.871 -7.796 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.459 9.518 -7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.908 9.856 -7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.200 9.004 -8.791 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.513 10.791 -7.788 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.282 10.296 -9.481 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.404 12.022 -9.068 1.00 0.00 H new ATOM 106 N LEU A 8 5.404 13.403 -11.992 1.00 0.00 N0 ATOM 107 CA LEU A 8 4.839 13.675 -13.309 1.00 0.00 C0 ATOM 108 C LEU A 8 5.525 14.865 -13.969 1.00 0.00 C0 ATOM 109 O LEU A 8 5.718 14.886 -15.184 1.00 0.00 O0 ATOM 110 CB LEU A 8 3.334 13.945 -13.194 1.00 0.00 C0 ATOM 111 CG LEU A 8 2.465 12.730 -12.843 1.00 0.00 C0 ATOM 112 CD1 LEU A 8 1.028 13.180 -12.620 1.00 0.00 C0 ATOM 113 CD2 LEU A 8 2.549 11.705 -13.965 1.00 0.00 C0 ATOM 0 H LEU A 8 4.754 13.539 -11.218 1.00 0.00 H new ATOM 0 HA LEU A 8 5.003 12.795 -13.931 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.178 14.712 -12.435 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.984 14.358 -14.140 1.00 0.00 H new ATOM 0 HG LEU A 8 2.826 12.266 -11.925 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.411 12.317 -12.371 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.995 13.899 -11.801 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.648 13.647 -13.528 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.932 10.842 -13.716 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.191 12.151 -14.893 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.584 11.387 -14.091 1.00 0.00 H new ATOM 125 N GLN A 9 5.892 15.852 -13.159 1.00 0.00 N0 ATOM 126 CA GLN A 9 6.642 17.004 -13.648 1.00 0.00 C0 ATOM 127 C GLN A 9 8.045 16.603 -14.087 1.00 0.00 C0 ATOM 128 O GLN A 9 8.533 17.053 -15.123 1.00 0.00 O0 ATOM 129 CB GLN A 9 6.722 18.087 -12.570 1.00 0.00 C0 ATOM 130 CG GLN A 9 7.383 19.376 -13.029 1.00 0.00 C0 ATOM 131 CD GLN A 9 6.587 20.080 -14.111 1.00 0.00 C0 ATOM 132 OE1 GLN A 9 5.390 20.338 -13.953 1.00 0.00 O0 ATOM 133 NE2 GLN A 9 7.247 20.395 -15.221 1.00 0.00 N0 ATOM 0 H GLN A 9 5.683 15.878 -12.161 1.00 0.00 H new ATOM 0 HA GLN A 9 6.113 17.402 -14.514 1.00 0.00 H new ATOM 0 HB2 GLN A 9 5.714 18.313 -12.222 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.273 17.694 -11.716 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.502 20.044 -12.176 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.383 19.155 -13.403 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.236 20.163 -15.309 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.764 20.869 -15.984 1.00 0.00 H new ATOM 142 N ASP A 10 8.688 15.754 -13.293 1.00 0.00 N0 ATOM 143 CA ASP A 10 9.998 15.219 -13.644 1.00 0.00 C0 ATOM 144 C ASP A 10 9.950 14.471 -14.970 1.00 0.00 C0 ATOM 145 O ASP A 10 10.843 14.612 -15.806 1.00 0.00 O0 ATOM 146 CB ASP A 10 10.508 14.287 -12.543 1.00 0.00 C0 ATOM 147 CG ASP A 10 10.935 15.031 -11.285 1.00 0.00 C0 ATOM 148 OD1 ASP A 10 11.045 16.234 -11.339 1.00 0.00 O0 ATOM 149 OD2 ASP A 10 11.145 14.392 -10.282 1.00 0.00 O1- ATOM 0 H ASP A 10 8.323 15.421 -12.401 1.00 0.00 H new ATOM 0 HA ASP A 10 10.683 16.061 -13.747 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.725 13.572 -12.288 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.353 13.712 -12.923 1.00 0.00 H new ATOM 154 N LEU A 11 8.902 13.675 -15.157 1.00 0.00 N0 ATOM 155 CA LEU A 11 8.659 13.018 -16.435 1.00 0.00 C0 ATOM 156 C LEU A 11 8.436 14.037 -17.545 1.00 0.00 C0 ATOM 157 O LEU A 11 9.077 13.976 -18.595 1.00 0.00 O0 ATOM 158 CB LEU A 11 7.439 12.092 -16.331 1.00 0.00 C0 ATOM 159 CG LEU A 11 7.025 11.389 -17.630 1.00 0.00 C0 ATOM 160 CD1 LEU A 11 8.133 10.445 -18.073 1.00 0.00 C0 ATOM 161 CD2 LEU A 11 5.722 10.637 -17.407 1.00 0.00 C0 ATOM 0 H LEU A 11 8.207 13.470 -14.439 1.00 0.00 H new ATOM 0 HA LEU A 11 9.542 12.429 -16.681 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.646 11.332 -15.578 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.592 12.676 -15.970 1.00 0.00 H new ATOM 0 HG LEU A 11 6.866 12.125 -18.418 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.838 9.946 -18.996 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.048 11.012 -18.244 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.308 9.700 -17.297 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.428 10.137 -18.330 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.860 9.895 -16.621 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.943 11.339 -17.110 1.00 0.00 H new ATOM 173 N THR A 12 7.525 14.973 -17.308 1.00 0.00 N0 ATOM 174 CA THR A 12 7.131 15.937 -18.329 1.00 0.00 C0 ATOM 175 C THR A 12 8.341 16.679 -18.881 1.00 0.00 C0 ATOM 176 O THR A 12 8.402 16.990 -20.070 1.00 0.00 O0 ATOM 177 CB THR A 12 6.112 16.949 -17.774 1.00 0.00 C0 ATOM 178 OG1 THR A 12 4.928 16.258 -17.354 1.00 0.00 O0 ATOM 179 CG2 THR A 12 5.747 17.975 -18.836 1.00 0.00 C0 ATOM 0 H THR A 12 7.044 15.085 -16.416 1.00 0.00 H new ATOM 0 HA THR A 12 6.664 15.376 -19.139 1.00 0.00 H new ATOM 0 HB THR A 12 6.560 17.465 -16.925 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.100 15.800 -16.505 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.026 18.682 -18.426 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.644 18.511 -19.148 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.310 17.468 -19.696 1.00 0.00 H new ATOM 187 N ASN A 13 9.304 16.961 -18.010 1.00 0.00 N0 ATOM 188 CA ASN A 13 10.456 17.776 -18.378 1.00 0.00 C0 ATOM 189 C ASN A 13 11.275 17.108 -19.476 1.00 0.00 C0 ATOM 190 O ASN A 13 11.936 17.781 -20.266 1.00 0.00 O0 ATOM 191 CB ASN A 13 11.321 18.058 -17.163 1.00 0.00 C0 ATOM 192 CG ASN A 13 10.684 19.034 -16.214 1.00 0.00 C0 ATOM 193 OD1 ASN A 13 9.782 19.790 -16.594 1.00 0.00 O0 ATOM 194 ND2 ASN A 13 11.135 19.033 -14.986 1.00 0.00 N0 ATOM 0 H ASN A 13 9.309 16.637 -17.043 1.00 0.00 H new ATOM 0 HA ASN A 13 10.085 18.724 -18.766 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.520 17.124 -16.638 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.284 18.451 -17.490 1.00 0.00 H new ATOM 0 HD21 ASN A 13 10.741 19.674 -14.297 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.881 18.391 -14.717 1.00 0.00 H new ATOM 201 N ASN A 14 11.226 15.781 -19.518 1.00 0.00 N0 ATOM 202 CA ASN A 14 12.103 15.010 -20.392 1.00 0.00 C0 ATOM 203 C ASN A 14 11.319 14.358 -21.522 1.00 0.00 C0 ATOM 204 O ASN A 14 11.807 14.251 -22.647 1.00 0.00 O0 ATOM 205 CB ASN A 14 12.864 13.965 -19.596 1.00 0.00 C0 ATOM 206 CG ASN A 14 13.838 14.573 -18.626 1.00 0.00 C0 ATOM 207 OD1 ASN A 14 14.255 15.726 -18.786 1.00 0.00 O0 ATOM 208 ND2 ASN A 14 14.210 13.820 -17.622 1.00 0.00 N0 ATOM 0 H ASN A 14 10.588 15.217 -18.957 1.00 0.00 H new ATOM 0 HA ASN A 14 12.822 15.697 -20.838 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.155 13.342 -19.051 1.00 0.00 H new ATOM 0 HB3 ASN A 14 13.401 13.311 -20.283 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.870 14.179 -16.932 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.840 12.874 -17.530 1.00 0.00 H new ATOM 215 N ILE A 15 10.102 13.922 -21.217 1.00 0.00 N0 ATOM 216 CA ILE A 15 9.285 13.194 -22.181 1.00 0.00 C0 ATOM 217 C ILE A 15 8.584 14.147 -23.140 1.00 0.00 C0 ATOM 218 O ILE A 15 8.390 15.323 -22.830 1.00 0.00 O0 ATOM 219 CB ILE A 15 8.237 12.323 -21.466 1.00 0.00 C0 ATOM 220 CG1 ILE A 15 7.707 11.241 -22.410 1.00 0.00 C0 ATOM 221 CG2 ILE A 15 7.097 13.183 -20.943 1.00 0.00 C0 ATOM 222 CD1 ILE A 15 6.923 10.152 -21.714 1.00 0.00 C0 ATOM 0 H ILE A 15 9.659 14.060 -20.309 1.00 0.00 H new ATOM 0 HA ILE A 15 9.954 12.550 -22.752 1.00 0.00 H new ATOM 0 HB ILE A 15 8.715 11.834 -20.617 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.072 11.708 -23.162 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.547 10.790 -22.938 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.365 12.551 -20.440 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.488 13.916 -20.238 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.619 13.699 -21.776 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.581 9.423 -22.449 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.560 9.657 -20.981 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.062 10.590 -21.209 1.00 0.00 H new ATOM 234 N THR A 16 8.207 13.634 -24.307 1.00 0.00 N0 ATOM 235 CA THR A 16 7.406 14.397 -25.256 1.00 0.00 C0 ATOM 236 C THR A 16 5.951 14.475 -24.811 1.00 0.00 C0 ATOM 237 O THR A 16 5.486 13.648 -24.027 1.00 0.00 O0 ATOM 238 CB THR A 16 7.484 13.784 -26.666 1.00 0.00 C0 ATOM 239 OG1 THR A 16 6.899 12.475 -26.654 1.00 0.00 O0 ATOM 240 CG2 THR A 16 8.932 13.685 -27.125 1.00 0.00 C0 ATOM 0 H THR A 16 8.444 12.692 -24.618 1.00 0.00 H new ATOM 0 HA THR A 16 7.817 15.406 -25.288 1.00 0.00 H new ATOM 0 HB THR A 16 6.938 14.427 -27.356 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.948 12.087 -27.552 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.968 13.249 -28.124 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.376 14.680 -27.147 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.491 13.054 -26.434 1.00 0.00 H new ATOM 248 N LEU A 17 5.236 15.474 -25.319 1.00 0.00 N0 ATOM 249 CA LEU A 17 3.854 15.709 -24.913 1.00 0.00 C0 ATOM 250 C LEU A 17 2.938 14.600 -25.414 1.00 0.00 C0 ATOM 251 O LEU A 17 1.940 14.270 -24.773 1.00 0.00 O0 ATOM 252 CB LEU A 17 3.369 17.062 -25.446 1.00 0.00 C0 ATOM 253 CG LEU A 17 4.032 18.299 -24.825 1.00 0.00 C0 ATOM 254 CD1 LEU A 17 3.544 19.551 -25.540 1.00 0.00 C0 ATOM 255 CD2 LEU A 17 3.707 18.356 -23.339 1.00 0.00 C0 ATOM 0 H LEU A 17 5.590 16.133 -26.012 1.00 0.00 H new ATOM 0 HA LEU A 17 3.821 15.716 -23.824 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.533 17.087 -26.523 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.293 17.130 -25.286 1.00 0.00 H new ATOM 0 HG LEU A 17 5.114 18.239 -24.939 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.015 20.429 -25.098 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.805 19.492 -26.597 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.462 19.630 -25.438 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.178 19.234 -22.897 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.627 18.417 -23.205 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.083 17.458 -22.850 1.00 0.00 H new ATOM 267 N GLU A 18 3.281 14.029 -26.563 1.00 0.00 N0 ATOM 268 CA GLU A 18 2.497 12.946 -27.144 1.00 0.00 C0 ATOM 269 C GLU A 18 2.539 11.703 -26.264 1.00 0.00 C0 ATOM 270 O GLU A 18 1.498 11.161 -25.890 1.00 0.00 O0 ATOM 271 CB GLU A 18 3.011 12.607 -28.545 1.00 0.00 C0 ATOM 272 CG GLU A 18 2.329 11.412 -29.194 1.00 0.00 C0 ATOM 273 CD GLU A 18 0.865 11.641 -29.451 1.00 0.00 C0 ATOM 274 OE1 GLU A 18 0.490 12.769 -29.668 1.00 0.00 O0 ATOM 275 OE2 GLU A 18 0.122 10.690 -29.430 1.00 0.00 O1- ATOM 0 H GLU A 18 4.098 14.299 -27.111 1.00 0.00 H new ATOM 0 HA GLU A 18 1.463 13.284 -27.214 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.879 13.478 -29.187 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.082 12.412 -28.488 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.827 11.184 -30.137 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.448 10.539 -28.552 1.00 0.00 H new ATOM 282 N ASP A 19 3.746 11.256 -25.937 1.00 0.00 N0 ATOM 283 CA ASP A 19 3.925 10.081 -25.093 1.00 0.00 C0 ATOM 284 C ASP A 19 3.437 10.342 -23.673 1.00 0.00 C0 ATOM 285 O ASP A 19 2.937 9.440 -23.002 1.00 0.00 O0 ATOM 286 CB ASP A 19 5.396 9.660 -25.064 1.00 0.00 C0 ATOM 287 CG ASP A 19 5.868 9.060 -26.382 1.00 0.00 C0 ATOM 288 OD1 ASP A 19 5.034 8.721 -27.189 1.00 0.00 O0 ATOM 289 OD2 ASP A 19 7.055 8.947 -26.569 1.00 0.00 O1- ATOM 0 H ASP A 19 4.616 11.690 -26.244 1.00 0.00 H new ATOM 0 HA ASP A 19 3.330 9.274 -25.520 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.012 10.527 -24.824 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.545 8.933 -24.266 1.00 0.00 H new ATOM 294 N LEU A 20 3.587 11.583 -23.221 1.00 0.00 N0 ATOM 295 CA LEU A 20 3.095 11.985 -21.908 1.00 0.00 C0 ATOM 296 C LEU A 20 1.592 11.769 -21.795 1.00 0.00 C0 ATOM 297 O LEU A 20 1.113 11.168 -20.833 1.00 0.00 O0 ATOM 298 CB LEU A 20 3.429 13.459 -21.646 1.00 0.00 C0 ATOM 299 CG LEU A 20 2.922 14.028 -20.315 1.00 0.00 C0 ATOM 300 CD1 LEU A 20 3.573 13.279 -19.160 1.00 0.00 C0 ATOM 301 CD2 LEU A 20 3.235 15.516 -20.247 1.00 0.00 C0 ATOM 0 H LEU A 20 4.046 12.328 -23.745 1.00 0.00 H new ATOM 0 HA LEU A 20 3.588 11.364 -21.160 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.512 13.580 -21.683 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.014 14.057 -22.458 1.00 0.00 H new ATOM 0 HG LEU A 20 1.842 13.899 -20.243 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.212 13.684 -18.214 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.318 12.221 -19.223 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.655 13.395 -19.215 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.875 15.921 -19.301 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.312 15.665 -20.319 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.742 16.030 -21.073 1.00 0.00 H new ATOM 313 N GLU A 21 0.852 12.265 -22.780 1.00 0.00 N0 ATOM 314 CA GLU A 21 -0.603 12.183 -22.762 1.00 0.00 C0 ATOM 315 C GLU A 21 -1.074 10.738 -22.867 1.00 0.00 C0 ATOM 316 O GLU A 21 -2.103 10.367 -22.301 1.00 0.00 O0 ATOM 317 CB GLU A 21 -1.199 13.008 -23.903 1.00 0.00 C0 ATOM 318 CG GLU A 21 -1.106 14.514 -23.706 1.00 0.00 C0 ATOM 319 CD GLU A 21 -1.881 14.996 -22.511 1.00 0.00 C0 ATOM 320 OE1 GLU A 21 -2.994 14.562 -22.335 1.00 0.00 O0 ATOM 321 OE2 GLU A 21 -1.360 15.801 -21.775 1.00 0.00 O1- ATOM 0 H GLU A 21 1.237 12.729 -23.603 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.947 12.588 -21.811 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.691 12.743 -24.830 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.247 12.734 -24.024 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.059 14.797 -23.592 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.476 15.016 -24.600 1.00 0.00 H new ATOM 328 N GLN A 22 -0.316 9.925 -23.595 1.00 0.00 N0 ATOM 329 CA GLN A 22 -0.595 8.496 -23.689 1.00 0.00 C0 ATOM 330 C GLN A 22 -0.475 7.822 -22.328 1.00 0.00 C0 ATOM 331 O GLN A 22 -1.325 7.016 -21.948 1.00 0.00 O0 ATOM 332 CB GLN A 22 0.355 7.830 -24.688 1.00 0.00 C0 ATOM 333 CG GLN A 22 0.090 8.196 -26.138 1.00 0.00 C0 ATOM 334 CD GLN A 22 1.096 7.571 -27.086 1.00 0.00 C0 ATOM 335 OE1 GLN A 22 1.764 6.590 -26.745 1.00 0.00 O0 ATOM 336 NE2 GLN A 22 1.209 8.133 -28.283 1.00 0.00 N0 ATOM 0 H GLN A 22 0.497 10.231 -24.129 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.620 8.379 -24.040 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.379 8.105 -24.437 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.279 6.748 -24.578 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.914 7.873 -26.414 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.117 9.280 -26.247 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.637 8.943 -28.522 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.868 7.755 -28.964 1.00 0.00 H new ATOM 345 N LEU A 23 0.583 8.157 -21.598 1.00 0.00 N0 ATOM 346 CA LEU A 23 0.787 7.625 -20.256 1.00 0.00 C0 ATOM 347 C LEU A 23 -0.256 8.165 -19.285 1.00 0.00 C0 ATOM 348 O LEU A 23 -0.748 7.440 -18.422 1.00 0.00 O0 ATOM 349 CB LEU A 23 2.193 7.977 -19.754 1.00 0.00 C0 ATOM 350 CG LEU A 23 3.351 7.267 -20.466 1.00 0.00 C0 ATOM 351 CD1 LEU A 23 4.672 7.884 -20.029 1.00 0.00 C0 ATOM 352 CD2 LEU A 23 3.309 5.781 -20.144 1.00 0.00 C0 ATOM 0 H LEU A 23 1.313 8.795 -21.914 1.00 0.00 H new ATOM 0 HA LEU A 23 0.682 6.541 -20.306 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.335 9.053 -19.853 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.248 7.745 -18.690 1.00 0.00 H new ATOM 0 HG LEU A 23 3.256 7.389 -21.545 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.495 7.379 -20.535 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.682 8.943 -20.287 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.787 7.773 -18.951 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.132 5.276 -20.650 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.403 5.639 -19.067 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.362 5.362 -20.484 1.00 0.00 H new ATOM 364 N LYS A 24 -0.588 9.444 -19.433 1.00 0.00 N0 ATOM 365 CA LYS A 24 -1.609 10.070 -18.602 1.00 0.00 C0 ATOM 366 C LYS A 24 -2.965 9.406 -18.802 1.00 0.00 C0 ATOM 367 O LYS A 24 -3.706 9.186 -17.843 1.00 0.00 O0 ATOM 368 CB LYS A 24 -1.707 11.566 -18.910 1.00 0.00 C0 ATOM 369 CG LYS A 24 -0.553 12.397 -18.363 1.00 0.00 C0 ATOM 370 CD LYS A 24 -0.572 13.808 -18.930 1.00 0.00 C0 ATOM 371 CE LYS A 24 -1.825 14.559 -18.503 1.00 0.00 C0 ATOM 372 NZ LYS A 24 -1.829 15.963 -18.998 1.00 0.00 N1+ ATOM 0 H LYS A 24 -0.164 10.067 -20.121 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.316 9.941 -17.560 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.755 11.700 -19.991 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.641 11.949 -18.499 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.615 12.439 -17.276 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.394 11.916 -18.610 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.312 14.350 -18.593 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.524 13.766 -20.018 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.706 14.039 -18.880 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.896 14.558 -17.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.729 16.418 -18.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.041 16.486 -18.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.720 15.967 -20.032 1.00 0.00 H new ATOM 386 N SER A 25 -3.284 9.086 -20.051 1.00 0.00 N0 ATOM 387 CA SER A 25 -4.528 8.396 -20.372 1.00 0.00 C0 ATOM 388 C SER A 25 -4.594 7.034 -19.693 1.00 0.00 C0 ATOM 389 O SER A 25 -5.624 6.656 -19.136 1.00 0.00 O0 ATOM 390 CB SER A 25 -4.661 8.230 -21.874 1.00 0.00 C0 ATOM 391 OG SER A 25 -4.781 9.474 -22.508 1.00 0.00 O0 ATOM 0 H SER A 25 -2.697 9.294 -20.859 1.00 0.00 H new ATOM 0 HA SER A 25 -5.354 9.003 -20.001 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.791 7.702 -22.264 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.534 7.617 -22.100 1.00 0.00 H new ATOM 0 HG SER A 25 -3.906 9.916 -22.530 1.00 0.00 H new ATOM 397 N ALA A 26 -3.488 6.299 -19.744 1.00 0.00 N0 ATOM 398 CA ALA A 26 -3.398 5.003 -19.083 1.00 0.00 C0 ATOM 399 C ALA A 26 -3.587 5.139 -17.578 1.00 0.00 C0 ATOM 400 O ALA A 26 -4.232 4.302 -16.946 1.00 0.00 O0 ATOM 401 CB ALA A 26 -2.062 4.342 -19.391 1.00 0.00 C0 ATOM 0 H ALA A 26 -2.640 6.580 -20.237 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.200 4.373 -19.468 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.010 3.375 -18.890 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.967 4.199 -20.467 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.251 4.978 -19.036 1.00 0.00 H new ATOM 407 N CYS A 27 -3.019 6.196 -17.008 1.00 0.00 N0 ATOM 408 CA CYS A 27 -3.155 6.463 -15.581 1.00 0.00 C0 ATOM 409 C CYS A 27 -4.603 6.750 -15.210 1.00 0.00 C0 ATOM 410 O CYS A 27 -5.079 6.329 -14.156 1.00 0.00 O0 ATOM 411 CB CYS A 27 -2.284 7.651 -15.171 1.00 0.00 C0 ATOM 412 SG CYS A 27 -0.507 7.315 -15.214 1.00 0.00 S0 ATOM 0 H CYS A 27 -2.459 6.883 -17.513 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.826 5.571 -15.049 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.500 8.491 -15.831 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.560 7.959 -14.163 1.00 0.00 H new ATOM 0 HG CYS A 27 0.037 7.711 -14.101 1.00 0.00 H new ATOM 418 N LYS A 28 -5.301 7.469 -16.083 1.00 0.00 N0 ATOM 419 CA LYS A 28 -6.714 7.764 -15.877 1.00 0.00 C0 ATOM 420 C LYS A 28 -7.558 6.498 -15.962 1.00 0.00 C0 ATOM 421 O LYS A 28 -8.534 6.342 -15.228 1.00 0.00 O0 ATOM 422 CB LYS A 28 -7.202 8.791 -16.900 1.00 0.00 C0 ATOM 423 CG LYS A 28 -6.660 10.197 -16.687 1.00 0.00 C0 ATOM 424 CD LYS A 28 -7.158 11.151 -17.763 1.00 0.00 C0 ATOM 425 CE LYS A 28 -6.614 12.556 -17.555 1.00 0.00 C0 ATOM 426 NZ LYS A 28 -7.084 13.497 -18.607 1.00 0.00 N1+ ATOM 0 H LYS A 28 -4.910 7.859 -16.941 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.825 8.182 -14.876 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.921 8.454 -17.898 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.291 8.826 -16.870 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.964 10.561 -15.706 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.570 10.174 -16.695 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.857 10.784 -18.744 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.248 11.176 -17.753 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.923 12.923 -16.576 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.524 12.527 -17.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.690 14.443 -18.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.768 13.161 -19.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.123 13.546 -18.590 1.00 0.00 H new ATOM 440 N GLU A 29 -7.176 5.597 -16.860 1.00 0.00 N0 ATOM 441 CA GLU A 29 -7.883 4.333 -17.025 1.00 0.00 C0 ATOM 442 C GLU A 29 -7.755 3.463 -15.782 1.00 0.00 C0 ATOM 443 O GLU A 29 -8.707 2.794 -15.381 1.00 0.00 O0 ATOM 444 CB GLU A 29 -7.348 3.579 -18.245 1.00 0.00 C0 ATOM 445 CG GLU A 29 -7.725 4.197 -19.583 1.00 0.00 C0 ATOM 446 CD GLU A 29 -7.053 3.526 -20.748 1.00 0.00 C0 ATOM 447 OE1 GLU A 29 -6.138 2.771 -20.527 1.00 0.00 O0 ATOM 448 OE2 GLU A 29 -7.456 3.770 -21.862 1.00 0.00 O1- ATOM 0 H GLU A 29 -6.380 5.719 -17.486 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.938 4.559 -17.177 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.261 3.527 -18.176 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.719 2.555 -18.215 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.806 4.140 -19.712 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.460 5.254 -19.577 1.00 0.00 H new ATOM 455 N ASP A 30 -6.573 3.477 -15.175 1.00 0.00 N0 ATOM 456 CA ASP A 30 -6.309 2.666 -13.993 1.00 0.00 C0 ATOM 457 C ASP A 30 -6.917 3.295 -12.747 1.00 0.00 C0 ATOM 458 O ASP A 30 -7.702 2.662 -12.040 1.00 0.00 O0 ATOM 459 CB ASP A 30 -4.803 2.479 -13.795 1.00 0.00 C0 ATOM 460 CG ASP A 30 -4.176 1.563 -14.838 1.00 0.00 C0 ATOM 461 OD1 ASP A 30 -4.909 0.917 -15.549 1.00 0.00 O0 ATOM 462 OD2 ASP A 30 -2.972 1.518 -14.913 1.00 0.00 O1- ATOM 0 H ASP A 30 -5.782 4.042 -15.483 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.773 1.692 -14.150 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.313 3.452 -13.832 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.621 2.068 -12.802 1.00 0.00 H new ATOM 467 N ILE A 31 -6.550 4.544 -12.481 1.00 0.00 N0 ATOM 468 CA ILE A 31 -6.997 5.234 -11.278 1.00 0.00 C0 ATOM 469 C ILE A 31 -7.997 6.333 -11.612 1.00 0.00 C0 ATOM 470 O ILE A 31 -7.635 7.364 -12.180 1.00 0.00 O0 ATOM 471 CB ILE A 31 -5.804 5.840 -10.516 1.00 0.00 C0 ATOM 472 CG1 ILE A 31 -4.792 4.750 -10.154 1.00 0.00 C0 ATOM 473 CG2 ILE A 31 -6.282 6.564 -9.267 1.00 0.00 C0 ATOM 474 CD1 ILE A 31 -5.355 3.667 -9.263 1.00 0.00 C0 ATOM 0 H ILE A 31 -5.943 5.099 -13.084 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.487 4.495 -10.644 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.311 6.565 -11.164 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.418 4.295 -11.071 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.939 5.210 -9.656 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.426 6.986 -8.741 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.965 7.365 -9.550 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.798 5.861 -8.614 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.579 2.931 -9.050 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.703 4.108 -8.329 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.190 3.179 -9.766 1.00 0.00 H new ATOM 486 N PRO A 32 -9.258 6.107 -11.258 1.00 0.00 N0 ATOM 487 CA PRO A 32 -10.295 7.117 -11.430 1.00 0.00 C0 ATOM 488 C PRO A 32 -9.927 8.412 -10.717 1.00 0.00 C0 ATOM 489 O PRO A 32 -9.251 8.394 -9.688 1.00 0.00 O0 ATOM 490 CB PRO A 32 -11.526 6.457 -10.802 1.00 0.00 C0 ATOM 491 CG PRO A 32 -11.253 4.995 -10.910 1.00 0.00 C0 ATOM 492 CD PRO A 32 -9.772 4.873 -10.664 1.00 0.00 C0 ATOM 0 HA PRO A 32 -10.451 7.403 -12.470 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.655 6.762 -9.764 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -12.439 6.732 -11.331 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -11.826 4.428 -10.176 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -11.526 4.611 -11.893 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -9.540 4.805 -9.601 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.352 3.987 -11.139 1.00 0.00 H new ATOM 500 N SER A 33 -10.376 9.534 -11.268 1.00 0.00 N0 ATOM 501 CA SER A 33 -10.084 10.841 -10.693 1.00 0.00 C0 ATOM 502 C SER A 33 -10.606 10.944 -9.266 1.00 0.00 C0 ATOM 503 O SER A 33 -10.045 11.664 -8.439 1.00 0.00 O0 ATOM 504 CB SER A 33 -10.696 11.936 -11.545 1.00 0.00 C0 ATOM 505 OG SER A 33 -12.096 11.883 -11.500 1.00 0.00 O0 ATOM 0 H SER A 33 -10.945 9.564 -12.114 1.00 0.00 H new ATOM 0 HA SER A 33 -9.001 10.963 -10.671 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.354 12.909 -11.194 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.357 11.832 -12.576 1.00 0.00 H new ATOM 0 HG SER A 33 -12.468 12.599 -12.055 1.00 0.00 H new ATOM 511 N GLU A 34 -11.683 10.219 -8.981 1.00 0.00 N0 ATOM 512 CA GLU A 34 -12.247 10.180 -7.638 1.00 0.00 C0 ATOM 513 C GLU A 34 -11.295 9.502 -6.661 1.00 0.00 C0 ATOM 514 O GLU A 34 -11.285 9.815 -5.471 1.00 0.00 O0 ATOM 515 CB GLU A 34 -13.592 9.449 -7.645 1.00 0.00 C0 ATOM 516 CG GLU A 34 -14.705 10.189 -8.371 1.00 0.00 C0 ATOM 517 CD GLU A 34 -16.000 9.425 -8.391 1.00 0.00 C0 ATOM 518 OE1 GLU A 34 -16.001 8.284 -7.996 1.00 0.00 O0 ATOM 519 OE2 GLU A 34 -16.990 9.984 -8.801 1.00 0.00 O1- ATOM 0 H GLU A 34 -12.183 9.650 -9.664 1.00 0.00 H new ATOM 0 HA GLU A 34 -12.400 11.208 -7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.458 8.472 -8.110 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -13.901 9.272 -6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -14.866 11.154 -7.891 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.392 10.391 -9.395 1.00 0.00 H new ATOM 526 N LYS A 35 -10.496 8.571 -7.171 1.00 0.00 N0 ATOM 527 CA LYS A 35 -9.531 7.854 -6.346 1.00 0.00 C0 ATOM 528 C LYS A 35 -8.242 8.651 -6.187 1.00 0.00 C0 ATOM 529 O LYS A 35 -7.558 8.545 -5.169 1.00 0.00 O0 ATOM 530 CB LYS A 35 -9.228 6.481 -6.947 1.00 0.00 C0 ATOM 531 CG LYS A 35 -10.416 5.528 -6.971 1.00 0.00 C0 ATOM 532 CD LYS A 35 -10.918 5.235 -5.564 1.00 0.00 C0 ATOM 533 CE LYS A 35 -12.077 4.250 -5.583 1.00 0.00 C0 ATOM 534 NZ LYS A 35 -12.630 4.014 -4.221 1.00 0.00 N1+ ATOM 0 H LYS A 35 -10.498 8.295 -8.153 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.973 7.719 -5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.866 6.616 -7.966 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.419 6.020 -6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.221 5.962 -7.564 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.128 4.596 -7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.104 4.830 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.235 6.163 -5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.865 4.630 -6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.742 3.304 -6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.417 3.337 -4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.885 3.628 -3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.974 4.912 -3.825 1.00 0.00 H new ATOM 548 N SER A 36 -7.918 9.449 -7.197 1.00 0.00 N0 ATOM 549 CA SER A 36 -6.724 10.285 -7.161 1.00 0.00 C0 ATOM 550 C SER A 36 -6.831 11.351 -6.078 1.00 0.00 C0 ATOM 551 O SER A 36 -5.823 11.890 -5.622 1.00 0.00 O0 ATOM 552 CB SER A 36 -6.505 10.942 -8.510 1.00 0.00 C0 ATOM 553 OG SER A 36 -7.450 11.951 -8.736 1.00 0.00 O0 ATOM 0 H SER A 36 -8.466 9.535 -8.053 1.00 0.00 H new ATOM 0 HA SER A 36 -5.873 9.645 -6.928 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.501 11.363 -8.555 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.572 10.193 -9.299 1.00 0.00 H new ATOM 0 HG SER A 36 -8.344 11.617 -8.514 1.00 0.00 H new ATOM 559 N GLU A 37 -8.059 11.652 -5.670 1.00 0.00 N0 ATOM 560 CA GLU A 37 -8.298 12.607 -4.595 1.00 0.00 C0 ATOM 561 C GLU A 37 -7.786 12.076 -3.262 1.00 0.00 C0 ATOM 562 O GLU A 37 -7.507 12.845 -2.343 1.00 0.00 O0 ATOM 563 CB GLU A 37 -9.790 12.928 -4.488 1.00 0.00 C0 ATOM 564 CG GLU A 37 -10.348 13.725 -5.658 1.00 0.00 C0 ATOM 565 CD GLU A 37 -11.818 14.011 -5.525 1.00 0.00 C0 ATOM 566 OE1 GLU A 37 -12.416 13.522 -4.597 1.00 0.00 O0 ATOM 567 OE2 GLU A 37 -12.343 14.718 -6.353 1.00 0.00 O1- ATOM 0 H GLU A 37 -8.906 11.247 -6.069 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.752 13.520 -4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.345 11.994 -4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.964 13.486 -3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.806 14.667 -5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.173 13.175 -6.582 1.00 0.00 H new ATOM 574 N GLU A 38 -7.664 10.757 -3.164 1.00 0.00 N0 ATOM 575 CA GLU A 38 -7.216 10.118 -1.932 1.00 0.00 C0 ATOM 576 C GLU A 38 -5.761 9.679 -2.039 1.00 0.00 C0 ATOM 577 O GLU A 38 -5.260 8.945 -1.185 1.00 0.00 O0 ATOM 578 CB GLU A 38 -8.100 8.913 -1.603 1.00 0.00 C0 ATOM 579 CG GLU A 38 -9.556 9.259 -1.326 1.00 0.00 C0 ATOM 580 CD GLU A 38 -10.386 8.057 -0.974 1.00 0.00 C0 ATOM 581 OE1 GLU A 38 -9.854 6.972 -0.969 1.00 0.00 O0 ATOM 582 OE2 GLU A 38 -11.554 8.222 -0.709 1.00 0.00 O1- ATOM 0 H GLU A 38 -7.869 10.108 -3.924 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.297 10.850 -1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.058 8.209 -2.434 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.688 8.403 -0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.604 9.979 -0.509 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.982 9.744 -2.204 1.00 0.00 H new ATOM 589 N ILE A 39 -5.087 10.131 -3.090 1.00 0.00 N0 ATOM 590 CA ILE A 39 -3.680 9.808 -3.295 1.00 0.00 C0 ATOM 591 C ILE A 39 -2.802 11.043 -3.135 1.00 0.00 C0 ATOM 592 O ILE A 39 -2.979 12.037 -3.838 1.00 0.00 O0 ATOM 593 CB ILE A 39 -3.455 9.194 -4.688 1.00 0.00 C0 ATOM 594 CG1 ILE A 39 -4.230 7.881 -4.825 1.00 0.00 C0 ATOM 595 CG2 ILE A 39 -1.971 8.968 -4.936 1.00 0.00 C0 ATOM 596 CD1 ILE A 39 -4.248 7.327 -6.231 1.00 0.00 C0 ATOM 0 H ILE A 39 -5.493 10.723 -3.815 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.401 9.078 -2.535 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.826 9.892 -5.438 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.791 7.139 -4.158 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.256 8.039 -4.494 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.830 8.533 -5.926 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.443 9.920 -4.879 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.575 8.288 -4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.815 6.397 -6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.715 8.049 -6.901 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.227 7.135 -6.560 1.00 0.00 H new ATOM 608 N THR A 40 -1.856 10.973 -2.205 1.00 0.00 N0 ATOM 609 CA THR A 40 -0.993 12.109 -1.904 1.00 0.00 C0 ATOM 610 C THR A 40 0.455 11.816 -2.281 1.00 0.00 C0 ATOM 611 O THR A 40 1.231 12.730 -2.556 1.00 0.00 O0 ATOM 612 CB THR A 40 -1.073 12.487 -0.414 1.00 0.00 C0 ATOM 613 OG1 THR A 40 -0.639 11.379 0.387 1.00 0.00 O0 ATOM 614 CG2 THR A 40 -2.498 12.856 -0.033 1.00 0.00 C0 ATOM 0 H THR A 40 -1.667 10.141 -1.646 1.00 0.00 H new ATOM 0 HA THR A 40 -1.347 12.950 -2.500 1.00 0.00 H new ATOM 0 HB THR A 40 -0.427 13.347 -0.238 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.689 11.621 1.335 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.535 13.120 1.024 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.826 13.706 -0.631 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.156 12.007 -0.218 1.00 0.00 H new ATOM 622 N THR A 41 0.810 10.535 -2.291 1.00 0.00 N0 ATOM 623 CA THR A 41 2.173 10.122 -2.598 1.00 0.00 C0 ATOM 624 C THR A 41 2.201 9.138 -3.762 1.00 0.00 C0 ATOM 625 O THR A 41 1.159 8.652 -4.201 1.00 0.00 O0 ATOM 626 CB THR A 41 2.852 9.489 -1.369 1.00 0.00 C0 ATOM 627 OG1 THR A 41 2.202 8.252 -1.046 1.00 0.00 O0 ATOM 628 CG2 THR A 41 2.773 10.425 -0.174 1.00 0.00 C0 ATOM 0 H THR A 41 0.172 9.765 -2.090 1.00 0.00 H new ATOM 0 HA THR A 41 2.725 11.018 -2.882 1.00 0.00 H new ATOM 0 HB THR A 41 3.900 9.307 -1.606 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.876 7.552 -0.917 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.258 9.961 0.685 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.276 11.362 -0.412 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.728 10.624 0.063 1.00 0.00 H new ATOM 636 N GLY A 42 3.400 8.850 -4.257 1.00 0.00 N0 ATOM 637 CA GLY A 42 3.574 7.860 -5.312 1.00 0.00 C0 ATOM 638 C GLY A 42 3.401 6.445 -4.776 1.00 0.00 C0 ATOM 639 O GLY A 42 2.992 5.540 -5.503 1.00 0.00 O0 ATOM 0 H GLY A 42 4.266 9.289 -3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.850 8.041 -6.107 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.565 7.966 -5.753 1.00 0.00 H new ATOM 643 N SER A 43 3.714 6.260 -3.498 1.00 0.00 N0 ATOM 644 CA SER A 43 3.489 4.983 -2.831 1.00 0.00 C0 ATOM 645 C SER A 43 2.002 4.726 -2.620 1.00 0.00 C0 ATOM 646 O SER A 43 1.549 3.582 -2.663 1.00 0.00 O0 ATOM 647 CB SER A 43 4.209 4.958 -1.496 1.00 0.00 C0 ATOM 648 OG SER A 43 3.643 5.876 -0.602 1.00 0.00 O0 ATOM 0 H SER A 43 4.125 6.979 -2.903 1.00 0.00 H new ATOM 0 HA SER A 43 3.885 4.195 -3.471 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.161 3.955 -1.072 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.263 5.191 -1.643 1.00 0.00 H new ATOM 0 HG SER A 43 4.123 5.840 0.252 1.00 0.00 H new ATOM 654 N ALA A 44 1.248 5.796 -2.395 1.00 0.00 N0 ATOM 655 CA ALA A 44 -0.206 5.708 -2.328 1.00 0.00 C0 ATOM 656 C ALA A 44 -0.800 5.363 -3.688 1.00 0.00 C0 ATOM 657 O ALA A 44 -1.721 4.553 -3.786 1.00 0.00 O0 ATOM 658 CB ALA A 44 -0.793 7.013 -1.811 1.00 0.00 C0 ATOM 0 H ALA A 44 1.620 6.735 -2.256 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.462 4.907 -1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.879 6.931 -1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.404 7.217 -0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.517 7.827 -2.482 1.00 0.00 H new ATOM 664 N TRP A 45 -0.266 5.982 -4.735 1.00 0.00 N0 ATOM 665 CA TRP A 45 -0.671 5.666 -6.100 1.00 0.00 C0 ATOM 666 C TRP A 45 -0.554 4.174 -6.378 1.00 0.00 C0 ATOM 667 O TRP A 45 -1.508 3.541 -6.833 1.00 0.00 O0 ATOM 668 CB TRP A 45 0.184 6.444 -7.102 1.00 0.00 C0 ATOM 669 CG TRP A 45 -0.224 6.230 -8.529 1.00 0.00 C0 ATOM 670 CD1 TRP A 45 0.273 5.296 -9.388 1.00 0.00 C0 ATOM 671 CD2 TRP A 45 -1.222 6.969 -9.274 1.00 0.00 C0 ATOM 672 NE1 TRP A 45 -0.342 5.401 -10.610 1.00 0.00 N0 ATOM 673 CE2 TRP A 45 -1.261 6.419 -10.559 1.00 0.00 C0 ATOM 674 CE3 TRP A 45 -2.074 8.035 -8.959 1.00 0.00 C0 ATOM 675 CZ2 TRP A 45 -2.119 6.899 -11.536 1.00 0.00 C0 ATOM 676 CZ3 TRP A 45 -2.934 8.515 -9.938 1.00 0.00 C0 ATOM 677 CH2 TRP A 45 -2.956 7.962 -11.194 1.00 0.00 C0 ATOM 0 H TRP A 45 0.449 6.706 -4.665 1.00 0.00 H new ATOM 0 HA TRP A 45 -1.715 5.957 -6.212 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.124 7.507 -6.871 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.227 6.151 -6.983 1.00 0.00 H new ATOM 0 HD1 TRP A 45 1.040 4.577 -9.142 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -0.148 4.818 -11.424 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.062 8.476 -7.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -2.139 6.466 -12.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -3.596 9.337 -9.707 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -3.636 8.358 -11.934 1.00 0.00 H new ATOM 688 N PHE A 46 0.619 3.615 -6.102 1.00 0.00 N0 ATOM 689 CA PHE A 46 0.844 2.184 -6.265 1.00 0.00 C0 ATOM 690 C PHE A 46 -0.109 1.373 -5.397 1.00 0.00 C0 ATOM 691 O PHE A 46 -0.688 0.386 -5.850 1.00 0.00 O0 ATOM 692 CB PHE A 46 2.290 1.827 -5.915 1.00 0.00 C0 ATOM 693 CG PHE A 46 2.606 0.366 -6.063 1.00 0.00 C0 ATOM 694 CD1 PHE A 46 2.872 -0.179 -7.310 1.00 0.00 C0 ATOM 695 CD2 PHE A 46 2.637 -0.467 -4.954 1.00 0.00 C0 ATOM 696 CE1 PHE A 46 3.163 -1.524 -7.446 1.00 0.00 C0 ATOM 697 CE2 PHE A 46 2.928 -1.811 -5.088 1.00 0.00 C0 ATOM 698 CZ PHE A 46 3.191 -2.339 -6.336 1.00 0.00 C0 ATOM 0 H PHE A 46 1.430 4.133 -5.764 1.00 0.00 H new ATOM 0 HA PHE A 46 0.655 1.936 -7.310 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.961 2.401 -6.554 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.491 2.131 -4.888 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.852 0.454 -8.185 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.431 -0.060 -3.975 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.368 -1.936 -8.423 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.950 -2.448 -4.216 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.418 -3.389 -6.442 1.00 0.00 H new ATOM 708 N SER A 47 -0.269 1.797 -4.148 1.00 0.00 N0 ATOM 709 CA SER A 47 -1.146 1.106 -3.211 1.00 0.00 C0 ATOM 710 C SER A 47 -2.553 0.961 -3.778 1.00 0.00 C0 ATOM 711 O SER A 47 -3.190 -0.081 -3.626 1.00 0.00 O0 ATOM 712 CB SER A 47 -1.196 1.855 -1.894 1.00 0.00 C0 ATOM 713 OG SER A 47 0.053 1.838 -1.259 1.00 0.00 O0 ATOM 0 H SER A 47 0.198 2.617 -3.761 1.00 0.00 H new ATOM 0 HA SER A 47 -0.741 0.108 -3.044 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.505 2.886 -2.069 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.945 1.404 -1.243 1.00 0.00 H new ATOM 0 HG SER A 47 0.592 2.592 -1.577 1.00 0.00 H new ATOM 719 N PHE A 48 -3.032 2.013 -4.432 1.00 0.00 N0 ATOM 720 CA PHE A 48 -4.356 1.999 -5.042 1.00 0.00 C0 ATOM 721 C PHE A 48 -4.401 1.058 -6.239 1.00 0.00 C0 ATOM 722 O PHE A 48 -5.396 0.367 -6.461 1.00 0.00 O0 ATOM 723 CB PHE A 48 -4.759 3.408 -5.479 1.00 0.00 C0 ATOM 724 CG PHE A 48 -5.364 4.234 -4.380 1.00 0.00 C0 ATOM 725 CD1 PHE A 48 -4.718 4.368 -3.159 1.00 0.00 C0 ATOM 726 CD2 PHE A 48 -6.578 4.879 -4.563 1.00 0.00 C0 ATOM 727 CE1 PHE A 48 -5.273 5.128 -2.147 1.00 0.00 C0 ATOM 728 CE2 PHE A 48 -7.134 5.640 -3.553 1.00 0.00 C0 ATOM 729 CZ PHE A 48 -6.481 5.764 -2.343 1.00 0.00 C0 ATOM 0 H PHE A 48 -2.522 2.888 -4.553 1.00 0.00 H new ATOM 0 HA PHE A 48 -5.062 1.640 -4.293 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.880 3.923 -5.866 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.472 3.334 -6.300 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.772 3.873 -2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.095 4.785 -5.507 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.760 5.224 -1.201 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.079 6.138 -3.710 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.915 6.358 -1.552 1.00 0.00 H new ATOM 739 N LEU A 49 -3.318 1.036 -7.008 1.00 0.00 N0 ATOM 740 CA LEU A 49 -3.210 0.140 -8.154 1.00 0.00 C0 ATOM 741 C LEU A 49 -3.332 -1.317 -7.726 1.00 0.00 C0 ATOM 742 O LEU A 49 -4.017 -2.109 -8.376 1.00 0.00 O0 ATOM 743 CB LEU A 49 -1.873 0.357 -8.873 1.00 0.00 C0 ATOM 744 CG LEU A 49 -1.753 1.660 -9.673 1.00 0.00 C0 ATOM 745 CD1 LEU A 49 -0.318 1.830 -10.156 1.00 0.00 C0 ATOM 746 CD2 LEU A 49 -2.723 1.627 -10.845 1.00 0.00 C0 ATOM 0 H LEU A 49 -2.502 1.629 -6.859 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.029 0.369 -8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.074 0.332 -8.132 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.705 -0.481 -9.550 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.006 2.510 -9.040 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.233 2.756 -10.725 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.353 1.868 -9.298 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.046 0.988 -10.792 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.638 2.553 -11.414 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.485 0.781 -11.490 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.742 1.523 -10.471 1.00 0.00 H new ATOM 758 N GLU A 50 -2.666 -1.665 -6.631 1.00 0.00 N0 ATOM 759 CA GLU A 50 -2.730 -3.019 -6.093 1.00 0.00 C0 ATOM 760 C GLU A 50 -4.073 -3.283 -5.425 1.00 0.00 C0 ATOM 761 O GLU A 50 -4.696 -4.320 -5.650 1.00 0.00 O0 ATOM 762 CB GLU A 50 -1.597 -3.249 -5.091 1.00 0.00 C0 ATOM 763 CG GLU A 50 -1.502 -4.673 -4.565 1.00 0.00 C0 ATOM 764 CD GLU A 50 -0.287 -4.903 -3.710 1.00 0.00 C0 ATOM 765 OE1 GLU A 50 0.409 -3.955 -3.434 1.00 0.00 O0 ATOM 766 OE2 GLU A 50 -0.053 -6.027 -3.332 1.00 0.00 O1- ATOM 0 H GLU A 50 -2.075 -1.027 -6.098 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.618 -3.714 -6.925 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.651 -2.986 -5.564 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.731 -2.571 -4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.396 -4.901 -3.985 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.483 -5.365 -5.407 1.00 0.00 H new ATOM 773 N SER A 51 -4.514 -2.338 -4.601 1.00 0.00 N0 ATOM 774 CA SER A 51 -5.716 -2.522 -3.798 1.00 0.00 C0 ATOM 775 C SER A 51 -6.946 -2.705 -4.680 1.00 0.00 C0 ATOM 776 O SER A 51 -7.824 -3.513 -4.378 1.00 0.00 O0 ATOM 777 CB SER A 51 -5.916 -1.335 -2.877 1.00 0.00 C0 ATOM 778 OG SER A 51 -4.883 -1.252 -1.934 1.00 0.00 O0 ATOM 0 H SER A 51 -4.056 -1.436 -4.472 1.00 0.00 H new ATOM 0 HA SER A 51 -5.586 -3.425 -3.201 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.952 -0.417 -3.464 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.874 -1.425 -2.365 1.00 0.00 H new ATOM 0 HG SER A 51 -4.197 -0.630 -2.254 1.00 0.00 H new ATOM 784 N HIS A 52 -7.003 -1.948 -5.771 1.00 0.00 N0 ATOM 785 CA HIS A 52 -8.178 -1.934 -6.633 1.00 0.00 C0 ATOM 786 C HIS A 52 -7.978 -2.828 -7.851 1.00 0.00 C0 ATOM 787 O HIS A 52 -8.760 -2.783 -8.801 1.00 0.00 O0 ATOM 788 CB HIS A 52 -8.499 -0.507 -7.087 1.00 0.00 C0 ATOM 789 CG HIS A 52 -8.870 0.413 -5.965 1.00 0.00 C0 ATOM 790 ND1 HIS A 52 -10.013 0.243 -5.213 1.00 0.00 N0 ATOM 791 CD2 HIS A 52 -8.251 1.508 -5.468 1.00 0.00 C0 ATOM 792 CE1 HIS A 52 -10.080 1.197 -4.299 1.00 0.00 C0 ATOM 793 NE2 HIS A 52 -9.023 1.977 -4.434 1.00 0.00 N0 ATOM 0 H HIS A 52 -6.248 -1.336 -6.079 1.00 0.00 H new ATOM 0 HA HIS A 52 -9.016 -2.320 -6.053 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.634 -0.098 -7.609 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -9.319 -0.539 -7.805 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.323 1.934 -5.819 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -10.865 1.317 -3.567 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -8.814 2.796 -3.862 1.00 0.00 H new ATOM 801 N ASN A 53 -6.926 -3.639 -7.817 1.00 0.00 N0 ATOM 802 CA ASN A 53 -6.640 -4.568 -8.903 1.00 0.00 C0 ATOM 803 C ASN A 53 -6.506 -3.837 -10.233 1.00 0.00 C0 ATOM 804 O ASN A 53 -6.990 -4.307 -11.263 1.00 0.00 O0 ATOM 805 CB ASN A 53 -7.714 -5.638 -8.988 1.00 0.00 C0 ATOM 806 CG ASN A 53 -7.767 -6.501 -7.758 1.00 0.00 C0 ATOM 807 OD1 ASN A 53 -6.729 -6.908 -7.225 1.00 0.00 O0 ATOM 808 ND2 ASN A 53 -8.958 -6.787 -7.297 1.00 0.00 N0 ATOM 0 H ASN A 53 -6.257 -3.671 -7.048 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.686 -5.050 -8.688 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.684 -5.163 -9.137 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.529 -6.265 -9.860 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.057 -7.368 -6.465 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.788 -6.429 -7.770 1.00 0.00 H new ATOM 815 N LYS A 54 -5.846 -2.684 -10.204 1.00 0.00 N0 ATOM 816 CA LYS A 54 -5.615 -1.904 -11.414 1.00 0.00 C0 ATOM 817 C LYS A 54 -4.158 -1.983 -11.850 1.00 0.00 C0 ATOM 818 O LYS A 54 -3.759 -1.357 -12.833 1.00 0.00 O0 ATOM 819 CB LYS A 54 -6.019 -0.445 -11.196 1.00 0.00 C0 ATOM 820 CG LYS A 54 -7.470 -0.250 -10.775 1.00 0.00 C0 ATOM 821 CD LYS A 54 -8.428 -0.710 -11.864 1.00 0.00 C0 ATOM 822 CE LYS A 54 -9.875 -0.437 -11.481 1.00 0.00 C0 ATOM 823 NZ LYS A 54 -10.826 -0.925 -12.515 1.00 0.00 N1+ ATOM 0 H LYS A 54 -5.462 -2.269 -9.355 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.232 -2.328 -12.206 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.371 -0.011 -10.434 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.843 0.110 -12.118 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.663 -0.808 -9.859 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.648 0.802 -10.552 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.194 -0.197 -12.797 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.292 -1.777 -12.043 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.095 -0.920 -10.529 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.016 0.634 -11.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.800 -0.719 -12.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.633 -0.446 -13.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.710 -1.951 -12.636 1.00 0.00 H new ATOM 837 N LEU A 55 -3.367 -2.758 -11.115 1.00 0.00 N0 ATOM 838 CA LEU A 55 -1.931 -2.838 -11.361 1.00 0.00 C0 ATOM 839 C LEU A 55 -1.622 -3.795 -12.505 1.00 0.00 C0 ATOM 840 O LEU A 55 -1.237 -4.942 -12.282 1.00 0.00 O0 ATOM 841 CB LEU A 55 -1.203 -3.297 -10.092 1.00 0.00 C0 ATOM 842 CG LEU A 55 0.330 -3.271 -10.159 1.00 0.00 C0 ATOM 843 CD1 LEU A 55 0.804 -1.846 -10.417 1.00 0.00 C0 ATOM 844 CD2 LEU A 55 0.905 -3.812 -8.858 1.00 0.00 C0 ATOM 0 H LEU A 55 -3.696 -3.340 -10.344 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.582 -1.844 -11.640 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.523 -2.666 -9.263 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.521 -4.313 -9.860 1.00 0.00 H new ATOM 0 HG LEU A 55 0.678 -3.902 -10.977 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.893 -1.828 -10.465 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.393 -1.492 -11.363 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.465 -1.198 -9.609 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.994 -3.793 -8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.568 -3.194 -8.026 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.566 -4.837 -8.709 1.00 0.00 H new ATOM 856 N ASP A 56 -1.793 -3.316 -13.733 1.00 0.00 N0 ATOM 857 CA ASP A 56 -1.421 -4.086 -14.915 1.00 0.00 C0 ATOM 858 C ASP A 56 0.091 -4.213 -15.036 1.00 0.00 C0 ATOM 859 O ASP A 56 0.828 -3.268 -14.754 1.00 0.00 O0 ATOM 860 CB ASP A 56 -1.988 -3.435 -16.178 1.00 0.00 C0 ATOM 861 CG ASP A 56 -3.497 -3.596 -16.302 1.00 0.00 C0 ATOM 862 OD1 ASP A 56 -4.053 -4.383 -15.574 1.00 0.00 O0 ATOM 863 OD2 ASP A 56 -4.080 -2.930 -17.125 1.00 0.00 O1- ATOM 0 H ASP A 56 -2.187 -2.397 -13.936 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.843 -5.085 -14.806 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.740 -2.374 -16.176 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.508 -3.873 -17.053 1.00 0.00 H new ATOM 868 N LYS A 57 0.548 -5.388 -15.457 1.00 0.00 N0 ATOM 869 CA LYS A 57 1.976 -5.648 -15.595 1.00 0.00 C0 ATOM 870 C LYS A 57 2.607 -4.730 -16.635 1.00 0.00 C0 ATOM 871 O LYS A 57 3.733 -4.263 -16.461 1.00 0.00 O0 ATOM 872 CB LYS A 57 2.220 -7.111 -15.970 1.00 0.00 C0 ATOM 873 CG LYS A 57 1.936 -8.103 -14.849 1.00 0.00 C0 ATOM 874 CD LYS A 57 2.131 -9.537 -15.319 1.00 0.00 C0 ATOM 875 CE LYS A 57 1.870 -10.529 -14.195 1.00 0.00 C0 ATOM 876 NZ LYS A 57 1.946 -11.938 -14.666 1.00 0.00 N1+ ATOM 0 H LYS A 57 -0.050 -6.175 -15.708 1.00 0.00 H new ATOM 0 HA LYS A 57 2.445 -5.445 -14.632 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.597 -7.362 -16.828 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.257 -7.225 -16.285 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.596 -7.901 -14.006 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.914 -7.970 -14.493 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.459 -9.743 -16.152 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.148 -9.665 -15.691 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.597 -10.373 -13.398 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.885 -10.342 -13.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.729 -12.580 -13.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.258 -12.086 -15.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.904 -12.135 -15.019 1.00 0.00 H new ATOM 890 N ASP A 58 1.875 -4.476 -17.713 1.00 0.00 N0 ATOM 891 CA ASP A 58 2.350 -3.590 -18.769 1.00 0.00 C0 ATOM 892 C ASP A 58 2.532 -2.167 -18.256 1.00 0.00 C0 ATOM 893 O ASP A 58 3.564 -1.539 -18.493 1.00 0.00 O0 ATOM 894 CB ASP A 58 1.376 -3.591 -19.949 1.00 0.00 C0 ATOM 895 CG ASP A 58 1.381 -4.904 -20.721 1.00 0.00 C0 ATOM 896 OD1 ASP A 58 2.303 -5.668 -20.550 1.00 0.00 O0 ATOM 897 OD2 ASP A 58 0.465 -5.131 -21.475 1.00 0.00 O1- ATOM 0 H ASP A 58 0.949 -4.871 -17.879 1.00 0.00 H new ATOM 0 HA ASP A 58 3.318 -3.964 -19.102 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.369 -3.395 -19.582 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.633 -2.776 -20.626 1.00 0.00 H new ATOM 902 N ASN A 59 1.525 -1.665 -17.550 1.00 0.00 N0 ATOM 903 CA ASN A 59 1.549 -0.297 -17.048 1.00 0.00 C0 ATOM 904 C ASN A 59 2.582 -0.134 -15.940 1.00 0.00 C0 ATOM 905 O ASN A 59 3.159 0.940 -15.769 1.00 0.00 O0 ATOM 906 CB ASN A 59 0.174 0.117 -16.560 1.00 0.00 C0 ATOM 907 CG ASN A 59 -0.795 0.346 -17.687 1.00 0.00 C0 ATOM 908 OD1 ASN A 59 -0.406 0.374 -18.859 1.00 0.00 O0 ATOM 909 ND2 ASN A 59 -2.050 0.509 -17.354 1.00 0.00 N0 ATOM 0 H ASN A 59 0.681 -2.186 -17.312 1.00 0.00 H new ATOM 0 HA ASN A 59 1.836 0.356 -17.872 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.220 -0.654 -15.898 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.261 1.029 -15.970 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.753 0.667 -18.076 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.325 0.478 -16.372 1.00 0.00 H new ATOM 916 N LEU A 60 2.812 -1.207 -15.190 1.00 0.00 N0 ATOM 917 CA LEU A 60 3.850 -1.218 -14.167 1.00 0.00 C0 ATOM 918 C LEU A 60 5.234 -1.065 -14.786 1.00 0.00 C0 ATOM 919 O LEU A 60 6.067 -0.307 -14.287 1.00 0.00 O0 ATOM 920 CB LEU A 60 3.786 -2.522 -13.361 1.00 0.00 C0 ATOM 921 CG LEU A 60 4.843 -2.676 -12.260 1.00 0.00 C0 ATOM 922 CD1 LEU A 60 4.753 -1.497 -11.300 1.00 0.00 C0 ATOM 923 CD2 LEU A 60 4.627 -3.993 -11.530 1.00 0.00 C0 ATOM 0 H LEU A 60 2.292 -2.081 -15.272 1.00 0.00 H new ATOM 0 HA LEU A 60 3.674 -0.372 -13.502 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.799 -2.597 -12.905 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.883 -3.360 -14.052 1.00 0.00 H new ATOM 0 HG LEU A 60 5.840 -2.686 -12.700 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.504 -1.607 -10.518 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.929 -0.570 -11.845 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.761 -1.470 -10.849 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.378 -4.103 -10.748 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.633 -4.002 -11.083 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.715 -4.819 -12.236 1.00 0.00 H new ATOM 935 N SER A 61 5.475 -1.788 -15.873 1.00 0.00 N0 ATOM 936 CA SER A 61 6.729 -1.675 -16.607 1.00 0.00 C0 ATOM 937 C SER A 61 6.858 -0.311 -17.272 1.00 0.00 C0 ATOM 938 O SER A 61 7.964 0.184 -17.487 1.00 0.00 O0 ATOM 939 CB SER A 61 6.822 -2.769 -17.653 1.00 0.00 C0 ATOM 940 OG SER A 61 5.916 -2.543 -18.698 1.00 0.00 O0 ATOM 0 H SER A 61 4.817 -2.460 -16.266 1.00 0.00 H new ATOM 0 HA SER A 61 7.546 -1.786 -15.894 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.836 -2.813 -18.049 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.618 -3.736 -17.193 1.00 0.00 H new ATOM 0 HG SER A 61 5.050 -2.273 -18.327 1.00 0.00 H new ATOM 946 N TYR A 62 5.719 0.293 -17.597 1.00 0.00 N0 ATOM 947 CA TYR A 62 5.696 1.650 -18.129 1.00 0.00 C0 ATOM 948 C TYR A 62 6.113 2.664 -17.071 1.00 0.00 C0 ATOM 949 O TYR A 62 6.792 3.644 -17.371 1.00 0.00 O0 ATOM 950 CB TYR A 62 4.306 1.989 -18.672 1.00 0.00 C0 ATOM 951 CG TYR A 62 3.935 1.223 -19.923 1.00 0.00 C0 ATOM 952 CD1 TYR A 62 4.921 0.596 -20.669 1.00 0.00 C0 ATOM 953 CD2 TYR A 62 2.609 1.148 -20.321 1.00 0.00 C0 ATOM 954 CE1 TYR A 62 4.582 -0.104 -21.812 1.00 0.00 C0 ATOM 955 CE2 TYR A 62 2.271 0.448 -21.464 1.00 0.00 C0 ATOM 956 CZ TYR A 62 3.252 -0.176 -22.207 1.00 0.00 C0 ATOM 957 OH TYR A 62 2.914 -0.872 -23.345 1.00 0.00 O0 ATOM 0 H TYR A 62 4.799 -0.137 -17.501 1.00 0.00 H new ATOM 0 HA TYR A 62 6.415 1.701 -18.947 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.565 1.785 -17.899 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.260 3.057 -18.884 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.953 0.654 -20.357 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.841 1.636 -19.739 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.348 -0.593 -22.396 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.239 0.389 -21.776 1.00 0.00 H new ATOM 0 HH TYR A 62 1.945 -0.826 -23.481 1.00 0.00 H new ATOM 967 N ILE A 63 5.699 2.421 -15.832 1.00 0.00 N0 ATOM 968 CA ILE A 63 6.137 3.236 -14.705 1.00 0.00 C0 ATOM 969 C ILE A 63 7.647 3.162 -14.525 1.00 0.00 C0 ATOM 970 O ILE A 63 8.299 4.167 -14.243 1.00 0.00 O0 ATOM 971 CB ILE A 63 5.441 2.795 -13.405 1.00 0.00 C0 ATOM 972 CG1 ILE A 63 3.944 3.110 -13.467 1.00 0.00 C0 ATOM 973 CG2 ILE A 63 6.082 3.472 -12.203 1.00 0.00 C0 ATOM 974 CD1 ILE A 63 3.137 2.456 -12.369 1.00 0.00 C0 ATOM 0 H ILE A 63 5.060 1.666 -15.583 1.00 0.00 H new ATOM 0 HA ILE A 63 5.861 4.267 -14.924 1.00 0.00 H new ATOM 0 HB ILE A 63 5.561 1.717 -13.296 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.807 4.190 -13.412 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.554 2.788 -14.433 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.578 3.149 -11.292 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.136 3.199 -12.151 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.992 4.554 -12.304 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.087 2.726 -12.479 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.242 1.373 -12.436 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.499 2.797 -11.399 1.00 0.00 H new ATOM 986 N GLU A 64 8.199 1.964 -14.687 1.00 0.00 N0 ATOM 987 CA GLU A 64 9.646 1.785 -14.718 1.00 0.00 C0 ATOM 988 C GLU A 64 10.290 2.682 -15.768 1.00 0.00 C0 ATOM 989 O GLU A 64 11.329 3.296 -15.522 1.00 0.00 O0 ATOM 990 CB GLU A 64 9.996 0.323 -14.999 1.00 0.00 C0 ATOM 991 CG GLU A 64 11.482 0.004 -14.909 1.00 0.00 C0 ATOM 992 CD GLU A 64 11.780 -1.456 -15.113 1.00 0.00 C0 ATOM 993 OE1 GLU A 64 10.866 -2.242 -15.062 1.00 0.00 O0 ATOM 994 OE2 GLU A 64 12.925 -1.783 -15.321 1.00 0.00 O1- ATOM 0 H GLU A 64 7.666 1.102 -14.799 1.00 0.00 H new ATOM 0 HA GLU A 64 10.037 2.066 -13.740 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.458 -0.309 -14.293 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.640 0.062 -15.996 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.020 0.587 -15.656 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.857 0.313 -13.933 1.00 0.00 H new ATOM 1001 N HIS A 65 9.667 2.754 -16.939 1.00 0.00 N0 ATOM 1002 CA HIS A 65 10.183 3.569 -18.032 1.00 0.00 C0 ATOM 1003 C HIS A 65 9.976 5.053 -17.757 1.00 0.00 C0 ATOM 1004 O HIS A 65 10.762 5.892 -18.201 1.00 0.00 O0 ATOM 1005 CB HIS A 65 9.508 3.192 -19.356 1.00 0.00 C0 ATOM 1006 CG HIS A 65 9.944 1.865 -19.896 1.00 0.00 C0 ATOM 1007 ND1 HIS A 65 11.256 1.588 -20.218 1.00 0.00 N0 ATOM 1008 CD2 HIS A 65 9.243 0.739 -20.169 1.00 0.00 C0 ATOM 1009 CE1 HIS A 65 11.343 0.348 -20.668 1.00 0.00 C0 ATOM 1010 NE2 HIS A 65 10.136 -0.187 -20.648 1.00 0.00 N0 ATOM 0 H HIS A 65 8.803 2.257 -17.156 1.00 0.00 H new ATOM 0 HA HIS A 65 11.253 3.374 -18.109 1.00 0.00 H new ATOM 0 HB2 HIS A 65 8.428 3.179 -19.212 1.00 0.00 H new ATOM 0 HB3 HIS A 65 9.722 3.964 -20.096 1.00 0.00 H new ATOM 0 HD1 HIS A 65 12.037 2.238 -20.124 1.00 0.00 H new ATOM 0 HD2 HIS A 65 8.181 0.596 -20.035 1.00 0.00 H new ATOM 0 HE1 HIS A 65 12.247 -0.144 -20.996 1.00 0.00 H new ATOM 1018 N ILE A 66 8.916 5.373 -17.024 1.00 0.00 N0 ATOM 1019 CA ILE A 66 8.690 6.735 -16.555 1.00 0.00 C0 ATOM 1020 C ILE A 66 9.824 7.203 -15.654 1.00 0.00 C0 ATOM 1021 O ILE A 66 10.287 8.338 -15.762 1.00 0.00 O0 ATOM 1022 CB ILE A 66 7.354 6.840 -15.797 1.00 0.00 C0 ATOM 1023 CG1 ILE A 66 6.178 6.764 -16.775 1.00 0.00 C0 ATOM 1024 CG2 ILE A 66 7.299 8.129 -14.993 1.00 0.00 C0 ATOM 1025 CD1 ILE A 66 4.830 6.642 -16.100 1.00 0.00 C0 ATOM 0 H ILE A 66 8.198 4.706 -16.741 1.00 0.00 H new ATOM 0 HA ILE A 66 8.653 7.379 -17.434 1.00 0.00 H new ATOM 0 HB ILE A 66 7.281 6.001 -15.105 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.181 7.656 -17.402 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.322 5.909 -17.436 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.348 8.187 -14.463 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.117 8.144 -14.273 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.392 8.982 -15.666 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.047 6.593 -16.857 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.807 5.735 -15.495 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.663 7.509 -15.461 1.00 0.00 H new ATOM 1037 N PHE A 67 10.269 6.321 -14.765 1.00 0.00 N0 ATOM 1038 CA PHE A 67 11.366 6.635 -13.858 1.00 0.00 C0 ATOM 1039 C PHE A 67 12.709 6.580 -14.576 1.00 0.00 C0 ATOM 1040 O PHE A 67 13.668 7.235 -14.171 1.00 0.00 O0 ATOM 1041 CB PHE A 67 11.376 5.665 -12.674 1.00 0.00 C0 ATOM 1042 CG PHE A 67 10.254 5.888 -11.700 1.00 0.00 C0 ATOM 1043 CD1 PHE A 67 9.600 4.814 -11.116 1.00 0.00 C0 ATOM 1044 CD2 PHE A 67 9.852 7.172 -11.365 1.00 0.00 C0 ATOM 1045 CE1 PHE A 67 8.568 5.018 -10.219 1.00 0.00 C0 ATOM 1046 CE2 PHE A 67 8.822 7.379 -10.467 1.00 0.00 C0 ATOM 1047 CZ PHE A 67 8.179 6.300 -9.894 1.00 0.00 C0 ATOM 0 H PHE A 67 9.886 5.382 -14.654 1.00 0.00 H new ATOM 0 HA PHE A 67 11.211 7.650 -13.491 1.00 0.00 H new ATOM 0 HB2 PHE A 67 11.320 4.644 -13.052 1.00 0.00 H new ATOM 0 HB3 PHE A 67 12.326 5.758 -12.148 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.900 3.807 -11.365 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.350 8.020 -11.811 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.066 4.172 -9.773 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.520 8.385 -10.214 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.373 6.460 -9.193 1.00 0.00 H new ATOM 1057 N GLU A 68 12.770 5.793 -15.645 1.00 0.00 N0 ATOM 1058 CA GLU A 68 13.901 5.835 -16.563 1.00 0.00 C0 ATOM 1059 C GLU A 68 14.022 7.200 -17.228 1.00 0.00 C0 ATOM 1060 O GLU A 68 15.099 7.795 -17.256 1.00 0.00 O0 ATOM 1061 CB GLU A 68 13.763 4.747 -17.631 1.00 0.00 C0 ATOM 1062 CG GLU A 68 14.920 4.684 -18.617 1.00 0.00 C0 ATOM 1063 CD GLU A 68 14.728 3.636 -19.678 1.00 0.00 C0 ATOM 1064 OE1 GLU A 68 13.686 3.025 -19.701 1.00 0.00 O0 ATOM 1065 OE2 GLU A 68 15.624 3.446 -20.466 1.00 0.00 O1- ATOM 0 H GLU A 68 12.048 5.118 -15.897 1.00 0.00 H new ATOM 0 HA GLU A 68 14.806 5.655 -15.983 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.669 3.780 -17.137 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.839 4.913 -18.184 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.039 5.658 -19.092 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.843 4.479 -18.074 1.00 0.00 H new ATOM 1072 N ILE A 69 12.908 7.693 -17.762 1.00 0.00 N0 ATOM 1073 CA ILE A 69 12.889 8.986 -18.434 1.00 0.00 C0 ATOM 1074 C ILE A 69 13.075 10.125 -17.440 1.00 0.00 C0 ATOM 1075 O ILE A 69 13.836 11.061 -17.689 1.00 0.00 O0 ATOM 1076 CB ILE A 69 11.569 9.186 -19.202 1.00 0.00 C0 ATOM 1077 CG1 ILE A 69 11.479 8.202 -20.372 1.00 0.00 C0 ATOM 1078 CG2 ILE A 69 11.453 10.619 -19.697 1.00 0.00 C0 ATOM 1079 CD1 ILE A 69 10.108 8.130 -21.004 1.00 0.00 C0 ATOM 0 H ILE A 69 12.007 7.215 -17.742 1.00 0.00 H new ATOM 0 HA ILE A 69 13.719 8.997 -19.141 1.00 0.00 H new ATOM 0 HB ILE A 69 10.739 8.991 -18.523 1.00 0.00 H new ATOM 0 HG12 ILE A 69 12.205 8.489 -21.133 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.760 7.209 -20.022 1.00 0.00 H new ATOM 0 HG21 ILE A 69 10.514 10.742 -20.237 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.474 11.301 -18.847 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.287 10.843 -20.362 1.00 0.00 H new ATOM 0 HD11 ILE A 69 10.123 7.413 -21.825 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.380 7.813 -20.258 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.831 9.113 -21.386 1.00 0.00 H new ATOM 1091 N SER A 70 12.377 10.041 -16.313 1.00 0.00 N0 ATOM 1092 CA SER A 70 12.414 11.097 -15.308 1.00 0.00 C0 ATOM 1093 C SER A 70 13.697 11.034 -14.489 1.00 0.00 C0 ATOM 1094 O SER A 70 13.974 11.920 -13.681 1.00 0.00 O0 ATOM 1095 CB SER A 70 11.212 10.986 -14.390 1.00 0.00 C0 ATOM 1096 OG SER A 70 11.326 9.876 -13.544 1.00 0.00 O0 ATOM 0 H SER A 70 11.778 9.251 -16.072 1.00 0.00 H new ATOM 0 HA SER A 70 12.386 12.055 -15.827 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.120 11.894 -13.794 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.302 10.902 -14.985 1.00 0.00 H new ATOM 0 HG SER A 70 10.540 9.827 -12.961 1.00 0.00 H new ATOM 1102 N ARG A 71 14.477 9.980 -14.703 1.00 0.00 N0 ATOM 1103 CA ARG A 71 15.765 9.831 -14.033 1.00 0.00 C0 ATOM 1104 C ARG A 71 15.589 9.719 -12.524 1.00 0.00 C0 ATOM 1105 O ARG A 71 16.111 10.538 -11.766 1.00 0.00 O0 ATOM 1106 CB ARG A 71 16.672 11.009 -14.350 1.00 0.00 C0 ATOM 1107 CG ARG A 71 17.006 11.181 -15.824 1.00 0.00 C0 ATOM 1108 CD ARG A 71 17.952 12.305 -16.045 1.00 0.00 C0 ATOM 1109 NE ARG A 71 18.277 12.471 -17.452 1.00 0.00 N0 ATOM 1110 CZ ARG A 71 19.053 13.454 -17.948 1.00 0.00 C0 ATOM 1111 NH1 ARG A 71 19.575 14.350 -17.139 1.00 0.00 N1+ ATOM 1112 NH2 ARG A 71 19.291 13.519 -19.247 1.00 0.00 N0 ATOM 0 H ARG A 71 14.240 9.216 -15.335 1.00 0.00 H new ATOM 0 HA ARG A 71 16.223 8.913 -14.402 1.00 0.00 H new ATOM 0 HB2 ARG A 71 16.197 11.922 -13.991 1.00 0.00 H new ATOM 0 HB3 ARG A 71 17.602 10.893 -13.793 1.00 0.00 H new ATOM 0 HG2 ARG A 71 17.441 10.258 -16.209 1.00 0.00 H new ATOM 0 HG3 ARG A 71 16.090 11.360 -16.386 1.00 0.00 H new ATOM 0 HD2 ARG A 71 17.516 13.227 -15.662 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.867 12.126 -15.480 1.00 0.00 H new ATOM 0 HE ARG A 71 17.890 11.795 -18.111 1.00 0.00 H new ATOM 0 HH11 ARG A 71 19.392 14.300 -16.137 1.00 0.00 H new ATOM 0 HH12 ARG A 71 20.163 15.095 -17.514 1.00 0.00 H new ATOM 0 HH21 ARG A 71 18.887 12.824 -19.875 1.00 0.00 H new ATOM 0 HH22 ARG A 71 19.879 14.264 -19.621 1.00 0.00 H new ATOM 1126 N ARG A 72 14.852 8.702 -12.091 1.00 0.00 N0 ATOM 1127 CA ARG A 72 14.782 8.353 -10.678 1.00 0.00 C0 ATOM 1128 C ARG A 72 15.155 6.893 -10.452 1.00 0.00 C0 ATOM 1129 O ARG A 72 14.285 6.029 -10.351 1.00 0.00 O0 ATOM 1130 CB ARG A 72 13.384 8.606 -10.133 1.00 0.00 C0 ATOM 1131 CG ARG A 72 12.934 10.058 -10.177 1.00 0.00 C0 ATOM 1132 CD ARG A 72 13.656 10.889 -9.180 1.00 0.00 C0 ATOM 1133 NE ARG A 72 13.149 12.251 -9.140 1.00 0.00 N0 ATOM 1134 CZ ARG A 72 13.622 13.218 -8.330 1.00 0.00 C0 ATOM 1135 NH1 ARG A 72 14.608 12.959 -7.502 1.00 0.00 N1+ ATOM 1136 NH2 ARG A 72 13.092 14.429 -8.369 1.00 0.00 N0 ATOM 0 H ARG A 72 14.294 8.104 -12.700 1.00 0.00 H new ATOM 0 HA ARG A 72 15.497 8.984 -10.149 1.00 0.00 H new ATOM 0 HB2 ARG A 72 12.674 8.003 -10.699 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.344 8.259 -9.100 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.102 10.461 -11.176 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.862 10.112 -9.988 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.560 10.437 -8.193 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.719 10.904 -9.422 1.00 0.00 H new ATOM 0 HE ARG A 72 12.382 12.491 -9.769 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.017 12.025 -7.472 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.965 13.692 -6.889 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.326 14.630 -9.012 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.449 15.162 -7.756 1.00 0.00 H new ATOM 1150 N PRO A 73 16.454 6.626 -10.374 1.00 0.00 N0 ATOM 1151 CA PRO A 73 16.949 5.259 -10.254 1.00 0.00 C0 ATOM 1152 C PRO A 73 16.391 4.578 -9.011 1.00 0.00 C0 ATOM 1153 O PRO A 73 16.089 3.385 -9.028 1.00 0.00 O0 ATOM 1154 CB PRO A 73 18.466 5.448 -10.162 1.00 0.00 C0 ATOM 1155 CG PRO A 73 18.722 6.716 -10.904 1.00 0.00 C0 ATOM 1156 CD PRO A 73 17.555 7.599 -10.550 1.00 0.00 C0 ATOM 0 HA PRO A 73 16.651 4.618 -11.084 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.796 5.519 -9.126 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.000 4.610 -10.610 1.00 0.00 H new ATOM 0 HG2 PRO A 73 19.668 7.168 -10.604 1.00 0.00 H new ATOM 0 HG3 PRO A 73 18.778 6.543 -11.979 1.00 0.00 H new ATOM 0 HD2 PRO A 73 17.740 8.170 -9.640 1.00 0.00 H new ATOM 0 HD3 PRO A 73 17.337 8.319 -11.339 1.00 0.00 H new ATOM 1164 N ASP A 74 16.257 5.343 -7.934 1.00 0.00 N0 ATOM 1165 CA ASP A 74 15.795 4.801 -6.661 1.00 0.00 C0 ATOM 1166 C ASP A 74 14.373 4.267 -6.774 1.00 0.00 C0 ATOM 1167 O ASP A 74 14.081 3.152 -6.342 1.00 0.00 O0 ATOM 1168 CB ASP A 74 15.859 5.869 -5.567 1.00 0.00 C0 ATOM 1169 CG ASP A 74 17.285 6.210 -5.156 1.00 0.00 C0 ATOM 1170 OD1 ASP A 74 18.172 5.455 -5.477 1.00 0.00 O0 ATOM 1171 OD2 ASP A 74 17.474 7.222 -4.525 1.00 0.00 O1- ATOM 0 H ASP A 74 16.462 6.342 -7.917 1.00 0.00 H new ATOM 0 HA ASP A 74 16.455 3.976 -6.395 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.361 6.773 -5.919 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.308 5.521 -4.694 1.00 0.00 H new ATOM 1176 N LEU A 75 13.490 5.069 -7.358 1.00 0.00 N0 ATOM 1177 CA LEU A 75 12.095 4.680 -7.527 1.00 0.00 C0 ATOM 1178 C LEU A 75 11.945 3.620 -8.609 1.00 0.00 C0 ATOM 1179 O LEU A 75 11.102 2.728 -8.507 1.00 0.00 O0 ATOM 1180 CB LEU A 75 11.242 5.906 -7.880 1.00 0.00 C0 ATOM 1181 CG LEU A 75 11.110 6.965 -6.778 1.00 0.00 C0 ATOM 1182 CD1 LEU A 75 10.381 8.183 -7.329 1.00 0.00 C0 ATOM 1183 CD2 LEU A 75 10.365 6.372 -5.591 1.00 0.00 C0 ATOM 0 H LEU A 75 13.716 5.994 -7.723 1.00 0.00 H new ATOM 0 HA LEU A 75 11.749 4.258 -6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.668 6.380 -8.764 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.243 5.565 -8.152 1.00 0.00 H new ATOM 0 HG LEU A 75 12.098 7.279 -6.442 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.287 8.936 -6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.945 8.597 -8.165 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.389 7.889 -7.671 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.271 7.124 -4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.372 6.052 -5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.917 5.515 -5.206 1.00 0.00 H new ATOM 1195 N LEU A 76 12.768 3.722 -9.648 1.00 0.00 N0 ATOM 1196 CA LEU A 76 12.830 2.693 -10.680 1.00 0.00 C0 ATOM 1197 C LEU A 76 13.129 1.327 -10.078 1.00 0.00 C0 ATOM 1198 O LEU A 76 12.467 0.339 -10.397 1.00 0.00 O0 ATOM 1199 CB LEU A 76 13.903 3.048 -11.717 1.00 0.00 C0 ATOM 1200 CG LEU A 76 13.946 2.152 -12.962 1.00 0.00 C0 ATOM 1201 CD1 LEU A 76 14.577 2.918 -14.117 1.00 0.00 C0 ATOM 1202 CD2 LEU A 76 14.733 0.888 -12.650 1.00 0.00 C0 ATOM 0 H LEU A 76 13.402 4.507 -9.798 1.00 0.00 H new ATOM 0 HA LEU A 76 11.856 2.648 -11.167 1.00 0.00 H new ATOM 0 HB2 LEU A 76 13.746 4.078 -12.038 1.00 0.00 H new ATOM 0 HB3 LEU A 76 14.878 3.011 -11.231 1.00 0.00 H new ATOM 0 HG LEU A 76 12.935 1.865 -13.251 1.00 0.00 H new ATOM 0 HD11 LEU A 76 14.608 2.282 -15.002 1.00 0.00 H new ATOM 0 HD12 LEU A 76 13.985 3.808 -14.330 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.591 3.213 -13.847 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.764 0.251 -13.534 1.00 0.00 H new ATOM 0 HD22 LEU A 76 15.749 1.155 -12.359 1.00 0.00 H new ATOM 0 HD23 LEU A 76 14.251 0.351 -11.833 1.00 0.00 H new ATOM 1214 N THR A 77 14.131 1.276 -9.207 1.00 0.00 N0 ATOM 1215 CA THR A 77 14.493 0.039 -8.526 1.00 0.00 C0 ATOM 1216 C THR A 77 13.313 -0.527 -7.746 1.00 0.00 C0 ATOM 1217 O THR A 77 13.082 -1.736 -7.742 1.00 0.00 O0 ATOM 1218 CB THR A 77 15.684 0.257 -7.574 1.00 0.00 C0 ATOM 1219 OG1 THR A 77 16.822 0.699 -8.325 1.00 0.00 O0 ATOM 1220 CG2 THR A 77 16.030 -1.034 -6.848 1.00 0.00 C0 ATOM 0 H THR A 77 14.708 2.079 -8.956 1.00 0.00 H new ATOM 0 HA THR A 77 14.782 -0.678 -9.294 1.00 0.00 H new ATOM 0 HB THR A 77 15.409 1.012 -6.838 1.00 0.00 H new ATOM 0 HG1 THR A 77 16.679 1.621 -8.623 1.00 0.00 H new ATOM 0 HG21 THR A 77 16.874 -0.861 -6.180 1.00 0.00 H new ATOM 0 HG22 THR A 77 15.170 -1.367 -6.267 1.00 0.00 H new ATOM 0 HG23 THR A 77 16.295 -1.801 -7.576 1.00 0.00 H new ATOM 1228 N MET A 78 12.568 0.354 -7.088 1.00 0.00 N0 ATOM 1229 CA MET A 78 11.390 -0.051 -6.331 1.00 0.00 C0 ATOM 1230 C MET A 78 10.351 -0.702 -7.235 1.00 0.00 C0 ATOM 1231 O MET A 78 9.689 -1.664 -6.845 1.00 0.00 O0 ATOM 1232 CB MET A 78 10.789 1.151 -5.605 1.00 0.00 C0 ATOM 1233 CG MET A 78 11.626 1.669 -4.444 1.00 0.00 C0 ATOM 1234 SD MET A 78 11.886 0.425 -3.165 1.00 0.00 S0 ATOM 1235 CE MET A 78 10.214 0.196 -2.570 1.00 0.00 C0 ATOM 0 H MET A 78 12.760 1.356 -7.064 1.00 0.00 H new ATOM 0 HA MET A 78 11.700 -0.790 -5.592 1.00 0.00 H new ATOM 0 HB2 MET A 78 10.646 1.959 -6.323 1.00 0.00 H new ATOM 0 HB3 MET A 78 9.802 0.878 -5.232 1.00 0.00 H new ATOM 0 HG2 MET A 78 12.592 2.006 -4.820 1.00 0.00 H new ATOM 0 HG3 MET A 78 11.134 2.538 -4.006 1.00 0.00 H new ATOM 0 HE1 MET A 78 10.237 -0.315 -1.608 1.00 0.00 H new ATOM 0 HE2 MET A 78 9.733 1.167 -2.454 1.00 0.00 H new ATOM 0 HE3 MET A 78 9.652 -0.404 -3.286 1.00 0.00 H new ATOM 1245 N VAL A 79 10.211 -0.170 -8.444 1.00 0.00 N0 ATOM 1246 CA VAL A 79 9.286 -0.727 -9.424 1.00 0.00 C0 ATOM 1247 C VAL A 79 9.722 -2.120 -9.862 1.00 0.00 C0 ATOM 1248 O VAL A 79 8.894 -3.015 -10.035 1.00 0.00 O0 ATOM 1249 CB VAL A 79 9.196 0.191 -10.657 1.00 0.00 C0 ATOM 1250 CG1 VAL A 79 8.410 -0.487 -11.769 1.00 0.00 C0 ATOM 1251 CG2 VAL A 79 8.553 1.514 -10.271 1.00 0.00 C0 ATOM 0 H VAL A 79 10.727 0.647 -8.769 1.00 0.00 H new ATOM 0 HA VAL A 79 8.307 -0.800 -8.951 1.00 0.00 H new ATOM 0 HB VAL A 79 10.202 0.387 -11.027 1.00 0.00 H new ATOM 0 HG11 VAL A 79 8.356 0.176 -12.633 1.00 0.00 H new ATOM 0 HG12 VAL A 79 8.908 -1.414 -12.053 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.402 -0.709 -11.419 1.00 0.00 H new ATOM 0 HG21 VAL A 79 8.492 2.159 -11.148 1.00 0.00 H new ATOM 0 HG22 VAL A 79 7.550 1.332 -9.884 1.00 0.00 H new ATOM 0 HG23 VAL A 79 9.155 2.001 -9.504 1.00 0.00 H new ATOM 1261 N VAL A 80 11.027 -2.297 -10.041 1.00 0.00 N0 ATOM 1262 CA VAL A 80 11.588 -3.608 -10.346 1.00 0.00 C0 ATOM 1263 C VAL A 80 11.229 -4.624 -9.269 1.00 0.00 C0 ATOM 1264 O VAL A 80 10.866 -5.761 -9.571 1.00 0.00 O0 ATOM 1265 CB VAL A 80 13.119 -3.518 -10.473 1.00 0.00 C0 ATOM 1266 CG1 VAL A 80 13.729 -4.908 -10.571 1.00 0.00 C0 ATOM 1267 CG2 VAL A 80 13.490 -2.680 -11.688 1.00 0.00 C0 ATOM 0 H VAL A 80 11.717 -1.548 -9.980 1.00 0.00 H new ATOM 0 HA VAL A 80 11.162 -3.938 -11.293 1.00 0.00 H new ATOM 0 HB VAL A 80 13.519 -3.036 -9.581 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.812 -4.825 -10.660 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.481 -5.478 -9.675 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.331 -5.419 -11.448 1.00 0.00 H new ATOM 0 HG21 VAL A 80 14.575 -2.621 -11.771 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.082 -3.142 -12.587 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.079 -1.676 -11.577 1.00 0.00 H new ATOM 1277 N ASP A 81 11.334 -4.208 -8.012 1.00 0.00 N0 ATOM 1278 CA ASP A 81 10.911 -5.040 -6.892 1.00 0.00 C0 ATOM 1279 C ASP A 81 9.405 -5.270 -6.915 1.00 0.00 C0 ATOM 1280 O ASP A 81 8.928 -6.353 -6.576 1.00 0.00 O0 ATOM 1281 CB ASP A 81 11.315 -4.396 -5.563 1.00 0.00 C0 ATOM 1282 CG ASP A 81 12.815 -4.460 -5.306 1.00 0.00 C0 ATOM 1283 OD1 ASP A 81 13.481 -5.211 -5.978 1.00 0.00 O0 ATOM 1284 OD2 ASP A 81 13.278 -3.757 -4.440 1.00 0.00 O1- ATOM 0 H ASP A 81 11.709 -3.298 -7.743 1.00 0.00 H new ATOM 0 HA ASP A 81 11.410 -6.004 -6.989 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.995 -3.354 -5.557 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.790 -4.895 -4.749 1.00 0.00 H new ATOM 1289 N TYR A 82 8.661 -4.245 -7.315 1.00 0.00 N0 ATOM 1290 CA TYR A 82 7.212 -4.352 -7.438 1.00 0.00 C0 ATOM 1291 C TYR A 82 6.824 -5.349 -8.521 1.00 0.00 C0 ATOM 1292 O TYR A 82 5.856 -6.097 -8.372 1.00 0.00 O0 ATOM 1293 CB TYR A 82 6.598 -2.981 -7.734 1.00 0.00 C0 ATOM 1294 CG TYR A 82 6.640 -2.027 -6.562 1.00 0.00 C0 ATOM 1295 CD1 TYR A 82 6.736 -2.521 -5.269 1.00 0.00 C0 ATOM 1296 CD2 TYR A 82 6.583 -0.658 -6.779 1.00 0.00 C0 ATOM 1297 CE1 TYR A 82 6.775 -1.649 -4.198 1.00 0.00 C0 ATOM 1298 CE2 TYR A 82 6.621 0.213 -5.708 1.00 0.00 C0 ATOM 1299 CZ TYR A 82 6.717 -0.278 -4.422 1.00 0.00 C0 ATOM 1300 OH TYR A 82 6.755 0.590 -3.355 1.00 0.00 O0 ATOM 0 H TYR A 82 9.038 -3.329 -7.560 1.00 0.00 H new ATOM 0 HA TYR A 82 6.821 -4.716 -6.488 1.00 0.00 H new ATOM 0 HB2 TYR A 82 7.125 -2.531 -8.575 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.562 -3.117 -8.043 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.780 -3.587 -5.100 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.509 -0.273 -7.785 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.850 -2.031 -3.191 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.576 1.279 -5.877 1.00 0.00 H new ATOM 0 HH TYR A 82 6.706 1.513 -3.682 1.00 0.00 H new ATOM 1310 N ARG A 83 7.582 -5.357 -9.612 1.00 0.00 N0 ATOM 1311 CA ARG A 83 7.359 -6.308 -10.695 1.00 0.00 C0 ATOM 1312 C ARG A 83 7.553 -7.741 -10.217 1.00 0.00 C0 ATOM 1313 O ARG A 83 6.774 -8.631 -10.561 1.00 0.00 O0 ATOM 1314 CB ARG A 83 8.303 -6.031 -11.854 1.00 0.00 C0 ATOM 1315 CG ARG A 83 7.971 -4.791 -12.668 1.00 0.00 C0 ATOM 1316 CD ARG A 83 8.961 -4.564 -13.753 1.00 0.00 C0 ATOM 1317 NE ARG A 83 8.969 -5.652 -14.716 1.00 0.00 N0 ATOM 1318 CZ ARG A 83 9.837 -5.761 -15.740 1.00 0.00 C0 ATOM 1319 NH1 ARG A 83 10.760 -4.842 -15.920 1.00 0.00 N1+ ATOM 1320 NH2 ARG A 83 9.763 -6.792 -16.564 1.00 0.00 N0 ATOM 0 H ARG A 83 8.358 -4.714 -9.770 1.00 0.00 H new ATOM 0 HA ARG A 83 6.329 -6.186 -11.031 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.315 -5.931 -11.463 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.302 -6.895 -12.519 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.976 -4.895 -13.100 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.945 -3.921 -12.012 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.732 -3.629 -14.264 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.955 -4.455 -13.320 1.00 0.00 H new ATOM 0 HE ARG A 83 8.268 -6.385 -14.609 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.819 -4.047 -15.284 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.417 -4.924 -16.695 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.048 -7.506 -16.425 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.421 -6.874 -17.339 1.00 0.00 H new ATOM 1334 N THR A 84 8.594 -7.959 -9.423 1.00 0.00 N0 ATOM 1335 CA THR A 84 8.837 -9.264 -8.818 1.00 0.00 C0 ATOM 1336 C THR A 84 7.688 -9.670 -7.905 1.00 0.00 C0 ATOM 1337 O THR A 84 7.238 -10.816 -7.930 1.00 0.00 O0 ATOM 1338 CB THR A 84 10.156 -9.269 -8.023 1.00 0.00 C0 ATOM 1339 OG1 THR A 84 11.252 -9.002 -8.908 1.00 0.00 O0 ATOM 1340 CG2 THR A 84 10.368 -10.618 -7.352 1.00 0.00 C0 ATOM 0 H THR A 84 9.285 -7.248 -9.182 1.00 0.00 H new ATOM 0 HA THR A 84 8.912 -9.987 -9.630 1.00 0.00 H new ATOM 0 HB THR A 84 10.104 -8.497 -7.256 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.245 -8.055 -9.161 1.00 0.00 H new ATOM 0 HG21 THR A 84 11.305 -10.604 -6.795 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.542 -10.818 -6.669 1.00 0.00 H new ATOM 0 HG23 THR A 84 10.409 -11.399 -8.111 1.00 0.00 H new ATOM 1348 N ARG A 85 7.216 -8.724 -7.100 1.00 0.00 N0 ATOM 1349 CA ARG A 85 6.067 -8.959 -6.233 1.00 0.00 C0 ATOM 1350 C ARG A 85 4.863 -9.440 -7.033 1.00 0.00 C0 ATOM 1351 O ARG A 85 4.219 -10.424 -6.671 1.00 0.00 O0 ATOM 1352 CB ARG A 85 5.698 -7.690 -5.479 1.00 0.00 C0 ATOM 1353 CG ARG A 85 4.475 -7.812 -4.584 1.00 0.00 C0 ATOM 1354 CD ARG A 85 4.159 -6.527 -3.908 1.00 0.00 C0 ATOM 1355 NE ARG A 85 2.924 -6.605 -3.144 1.00 0.00 N0 ATOM 1356 CZ ARG A 85 2.835 -7.056 -1.878 1.00 0.00 C0 ATOM 1357 NH1 ARG A 85 3.914 -7.464 -1.248 1.00 0.00 N1+ ATOM 1358 NH2 ARG A 85 1.663 -7.088 -1.269 1.00 0.00 N0 ATOM 0 H ARG A 85 7.612 -7.787 -7.030 1.00 0.00 H new ATOM 0 HA ARG A 85 6.347 -9.735 -5.520 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.549 -7.387 -4.869 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.524 -6.893 -6.202 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.619 -8.131 -5.179 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.648 -8.585 -3.835 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.980 -6.255 -3.244 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.076 -5.736 -4.653 1.00 0.00 H new ATOM 0 HE ARG A 85 2.065 -6.296 -3.599 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.819 -7.439 -1.718 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.846 -7.805 -0.289 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.826 -6.771 -1.758 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.596 -7.430 -0.310 1.00 0.00 H new ATOM 1372 N VAL A 86 4.564 -8.738 -8.120 1.00 0.00 N0 ATOM 1373 CA VAL A 86 3.424 -9.081 -8.963 1.00 0.00 C0 ATOM 1374 C VAL A 86 3.592 -10.464 -9.581 1.00 0.00 C0 ATOM 1375 O VAL A 86 2.637 -11.235 -9.670 1.00 0.00 O0 ATOM 1376 CB VAL A 86 3.255 -8.038 -10.084 1.00 0.00 C0 ATOM 1377 CG1 VAL A 86 2.219 -8.506 -11.095 1.00 0.00 C0 ATOM 1378 CG2 VAL A 86 2.858 -6.697 -9.486 1.00 0.00 C0 ATOM 0 H VAL A 86 5.095 -7.928 -8.439 1.00 0.00 H new ATOM 0 HA VAL A 86 2.535 -9.086 -8.332 1.00 0.00 H new ATOM 0 HB VAL A 86 4.205 -7.920 -10.605 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.112 -7.757 -11.880 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.541 -9.450 -11.535 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.261 -8.647 -10.595 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.740 -5.964 -10.284 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.916 -6.803 -8.948 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.633 -6.362 -8.797 1.00 0.00 H new ATOM 1388 N LEU A 87 4.813 -10.771 -10.008 1.00 0.00 N0 ATOM 1389 CA LEU A 87 5.120 -12.080 -10.572 1.00 0.00 C0 ATOM 1390 C LEU A 87 4.897 -13.186 -9.549 1.00 0.00 C0 ATOM 1391 O LEU A 87 4.444 -14.278 -9.890 1.00 0.00 O0 ATOM 1392 CB LEU A 87 6.572 -12.116 -11.065 1.00 0.00 C0 ATOM 1393 CG LEU A 87 6.871 -11.281 -12.316 1.00 0.00 C0 ATOM 1394 CD1 LEU A 87 8.374 -11.253 -12.562 1.00 0.00 C0 ATOM 1395 CD2 LEU A 87 6.132 -11.870 -13.508 1.00 0.00 C0 ATOM 0 H LEU A 87 5.606 -10.130 -9.974 1.00 0.00 H new ATOM 0 HA LEU A 87 4.447 -12.249 -11.413 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.219 -11.772 -10.258 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.841 -13.152 -11.270 1.00 0.00 H new ATOM 0 HG LEU A 87 6.528 -10.257 -12.171 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.586 -10.659 -13.451 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.875 -10.810 -11.702 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.738 -12.270 -12.709 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.344 -11.277 -14.397 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.462 -12.896 -13.669 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.060 -11.860 -13.313 1.00 0.00 H new ATOM 1407 N LYS A 88 5.219 -12.897 -8.292 1.00 0.00 N0 ATOM 1408 CA LYS A 88 4.973 -13.835 -7.204 1.00 0.00 C0 ATOM 1409 C LYS A 88 3.481 -14.008 -6.950 1.00 0.00 C0 ATOM 1410 O LYS A 88 3.019 -15.101 -6.622 1.00 0.00 O0 ATOM 1411 CB LYS A 88 5.674 -13.369 -5.927 1.00 0.00 C0 ATOM 1412 CG LYS A 88 7.191 -13.509 -5.954 1.00 0.00 C0 ATOM 1413 CD LYS A 88 7.814 -13.021 -4.656 1.00 0.00 C0 ATOM 1414 CE LYS A 88 9.320 -13.237 -4.647 1.00 0.00 C0 ATOM 1415 NZ LYS A 88 9.947 -12.741 -3.392 1.00 0.00 N1+ ATOM 0 H LYS A 88 5.651 -12.020 -8.002 1.00 0.00 H new ATOM 0 HA LYS A 88 5.381 -14.802 -7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.421 -12.324 -5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.284 -13.939 -5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.459 -14.553 -6.119 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.596 -12.940 -6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.596 -11.961 -4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.364 -13.548 -3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.535 -14.299 -4.764 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.765 -12.726 -5.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.973 -12.907 -3.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.765 -11.722 -3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.542 -13.246 -2.578 1.00 0.00 H new ATOM 1429 N ILE A 89 2.731 -12.922 -7.102 1.00 0.00 N0 ATOM 1430 CA ILE A 89 1.283 -12.961 -6.937 1.00 0.00 C0 ATOM 1431 C ILE A 89 0.629 -13.808 -8.019 1.00 0.00 C0 ATOM 1432 O ILE A 89 -0.199 -14.673 -7.729 1.00 0.00 O0 ATOM 1433 CB ILE A 89 0.688 -11.541 -6.966 1.00 0.00 C0 ATOM 1434 CG1 ILE A 89 1.126 -10.754 -5.727 1.00 0.00 C0 ATOM 1435 CG2 ILE A 89 -0.828 -11.602 -7.054 1.00 0.00 C0 ATOM 1436 CD1 ILE A 89 0.835 -9.273 -5.811 1.00 0.00 C0 ATOM 0 H ILE A 89 3.103 -12.002 -7.340 1.00 0.00 H new ATOM 0 HA ILE A 89 1.079 -13.413 -5.966 1.00 0.00 H new ATOM 0 HB ILE A 89 1.062 -11.026 -7.851 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.624 -11.164 -4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.196 -10.897 -5.577 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.232 -10.590 -7.073 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.119 -12.127 -7.964 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.222 -12.133 -6.188 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.173 -8.783 -4.898 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.359 -8.847 -6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.238 -9.119 -5.929 1.00 0.00 H new ATOM 1448 N SER A 90 1.003 -13.556 -9.269 1.00 0.00 N0 ATOM 1449 CA SER A 90 0.458 -14.302 -10.397 1.00 0.00 C0 ATOM 1450 C SER A 90 1.261 -14.044 -11.666 1.00 0.00 C0 ATOM 1451 O SER A 90 2.298 -14.621 -11.848 1.00 0.00 O0 ATOM 1452 CB SER A 90 -0.993 -13.925 -10.620 1.00 0.00 C0 ATOM 1453 OG SER A 90 -1.524 -14.602 -11.727 1.00 0.00 O0 ATOM 0 H SER A 90 1.682 -12.840 -9.526 1.00 0.00 H new ATOM 0 HA SER A 90 0.523 -15.364 -10.161 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.575 -14.163 -9.730 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.073 -12.849 -10.775 1.00 0.00 H new ATOM 0 HG SER A 90 -2.461 -14.344 -11.850 1.00 0.00 H new TER 1459 SER A 90