USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 584 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 43 LYS NZ :NH3+ 175:sc= 0 (180deg=0) USER MOD Set 1.2: A 58 GLN :FLIP amide:sc= -6.19! C(o=-10!,f=-6.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 65:sc= -1.83! USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= -0.0196 (180deg=-0.205) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 63:sc= 0.306 USER MOD Single : A 16 GLN : amide:sc= -2.27 X(o=-2.3,f=-2.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0474 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.84 USER MOD Single : A 25 MET CE :methyl -161:sc= -2.17 (180deg=-3.84!) USER MOD Single : A 26 LYS NZ :NH3+ 149:sc= -0.103 (180deg=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= -0.0452 (180deg=-0.355) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.77 K(o=-1.8,f=-3.3!) USER MOD Single : A 36 SER OG : rot 62:sc= 0.588 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 39 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 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.266 K(o=-0.27,f=-1) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0794 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -145:sc= -0.0298 (180deg=-1.03) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.443 -2.872 -17.580 1.00 0.00 N ATOM 2 CA MET A 1 2.409 -2.190 -16.811 1.00 0.00 C ATOM 3 C MET A 1 2.746 -2.194 -15.323 1.00 0.00 C ATOM 4 O MET A 1 1.936 -2.609 -14.494 1.00 0.00 O ATOM 5 CB MET A 1 1.050 -2.855 -17.039 1.00 0.00 C ATOM 6 CG MET A 1 0.364 -2.412 -18.321 1.00 0.00 C ATOM 7 SD MET A 1 -1.048 -3.449 -18.748 1.00 0.00 S ATOM 8 CE MET A 1 -2.403 -2.432 -18.168 1.00 0.00 C ATOM 0 H1 MET A 1 3.192 -2.857 -18.589 1.00 0.00 H new ATOM 0 H2 MET A 1 4.354 -2.389 -17.442 1.00 0.00 H new ATOM 0 H3 MET A 1 3.522 -3.858 -17.258 1.00 0.00 H new ATOM 0 HA MET A 1 2.361 -1.156 -17.152 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.183 -3.937 -17.063 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.400 -2.633 -16.193 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.032 -1.380 -18.213 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.084 -2.431 -19.139 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.348 -2.940 -18.362 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.297 -2.260 -17.097 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.390 -1.476 -18.692 1.00 0.00 H new ATOM 18 N ASP A 2 3.946 -1.730 -14.992 1.00 0.00 N ATOM 19 CA ASP A 2 4.390 -1.680 -13.604 1.00 0.00 C ATOM 20 C ASP A 2 4.660 -0.242 -13.172 1.00 0.00 C ATOM 21 O ASP A 2 5.768 0.091 -12.750 1.00 0.00 O ATOM 22 CB ASP A 2 5.649 -2.527 -13.418 1.00 0.00 C ATOM 23 CG ASP A 2 5.400 -4.000 -13.676 1.00 0.00 C ATOM 24 OD1 ASP A 2 5.331 -4.392 -14.860 1.00 0.00 O ATOM 25 OD2 ASP A 2 5.274 -4.761 -12.694 1.00 0.00 O ATOM 0 H ASP A 2 4.629 -1.383 -15.666 1.00 0.00 H new ATOM 0 HA ASP A 2 3.594 -2.085 -12.979 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.427 -2.169 -14.093 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.024 -2.397 -12.403 1.00 0.00 H new ATOM 30 N GLU A 3 3.642 0.605 -13.280 1.00 0.00 N ATOM 31 CA GLU A 3 3.772 2.007 -12.902 1.00 0.00 C ATOM 32 C GLU A 3 3.437 2.206 -11.427 1.00 0.00 C ATOM 33 O GLU A 3 3.919 3.143 -10.790 1.00 0.00 O ATOM 34 CB GLU A 3 2.857 2.878 -13.766 1.00 0.00 C ATOM 35 CG GLU A 3 2.987 4.365 -13.484 1.00 0.00 C ATOM 36 CD GLU A 3 4.421 4.851 -13.568 1.00 0.00 C ATOM 37 OE1 GLU A 3 4.968 4.892 -14.690 1.00 0.00 O ATOM 38 OE2 GLU A 3 4.997 5.190 -12.513 1.00 0.00 O ATOM 0 H GLU A 3 2.718 0.345 -13.626 1.00 0.00 H new ATOM 0 HA GLU A 3 4.807 2.306 -13.065 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.082 2.695 -14.817 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.822 2.575 -13.604 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.377 4.921 -14.196 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.592 4.579 -12.491 1.00 0.00 H new ATOM 45 N THR A 4 2.607 1.318 -10.889 1.00 0.00 N ATOM 46 CA THR A 4 2.206 1.396 -9.490 1.00 0.00 C ATOM 47 C THR A 4 1.292 0.235 -9.115 1.00 0.00 C ATOM 48 O THR A 4 1.345 -0.273 -7.995 1.00 0.00 O ATOM 49 CB THR A 4 1.484 2.722 -9.186 1.00 0.00 C ATOM 50 OG1 THR A 4 0.949 2.695 -7.858 1.00 0.00 O ATOM 51 CG2 THR A 4 0.363 2.969 -10.184 1.00 0.00 C ATOM 0 H THR A 4 2.199 0.536 -11.401 1.00 0.00 H new ATOM 0 HA THR A 4 3.118 1.343 -8.896 1.00 0.00 H new ATOM 0 HB THR A 4 2.209 3.532 -9.269 1.00 0.00 H new ATOM 0 HG1 THR A 4 1.683 2.649 -7.210 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.132 3.911 -9.949 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.777 3.018 -11.191 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.360 2.155 -10.128 1.00 0.00 H new ATOM 59 N GLY A 5 0.455 -0.183 -10.059 1.00 0.00 N ATOM 60 CA GLY A 5 -0.459 -1.282 -9.808 1.00 0.00 C ATOM 61 C GLY A 5 -1.861 -0.996 -10.307 1.00 0.00 C ATOM 62 O GLY A 5 -2.419 -1.766 -11.090 1.00 0.00 O ATOM 0 H GLY A 5 0.393 0.220 -10.994 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -0.081 -2.182 -10.292 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.492 -1.486 -8.738 1.00 0.00 H new ATOM 66 N LYS A 6 -2.435 0.113 -9.853 1.00 0.00 N ATOM 67 CA LYS A 6 -3.781 0.500 -10.257 1.00 0.00 C ATOM 68 C LYS A 6 -3.840 1.984 -10.605 1.00 0.00 C ATOM 69 O LYS A 6 -3.927 2.353 -11.775 1.00 0.00 O ATOM 70 CB LYS A 6 -4.781 0.186 -9.141 1.00 0.00 C ATOM 71 CG LYS A 6 -5.215 -1.269 -9.104 1.00 0.00 C ATOM 72 CD LYS A 6 -4.242 -2.121 -8.307 1.00 0.00 C ATOM 73 CE LYS A 6 -4.917 -3.364 -7.750 1.00 0.00 C ATOM 74 NZ LYS A 6 -5.861 -3.035 -6.646 1.00 0.00 N ATOM 0 H LYS A 6 -1.988 0.760 -9.204 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.045 -0.074 -11.145 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.335 0.448 -8.181 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.662 0.816 -9.266 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.209 -1.342 -8.663 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.288 -1.654 -10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.407 -2.413 -8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.828 -1.533 -7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.456 -3.873 -8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.159 -4.057 -7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.052 -3.890 -6.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.439 -2.308 -6.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.752 -2.677 -7.046 1.00 0.00 H new ATOM 88 N GLU A 7 -3.790 2.829 -9.580 1.00 0.00 N ATOM 89 CA GLU A 7 -3.837 4.273 -9.779 1.00 0.00 C ATOM 90 C GLU A 7 -3.184 5.005 -8.610 1.00 0.00 C ATOM 91 O GLU A 7 -3.693 4.985 -7.488 1.00 0.00 O ATOM 92 CB GLU A 7 -5.284 4.741 -9.944 1.00 0.00 C ATOM 93 CG GLU A 7 -5.857 4.473 -11.326 1.00 0.00 C ATOM 94 CD GLU A 7 -6.591 3.149 -11.406 1.00 0.00 C ATOM 95 OE1 GLU A 7 -7.210 2.751 -10.397 1.00 0.00 O ATOM 96 OE2 GLU A 7 -6.548 2.512 -12.479 1.00 0.00 O ATOM 0 H GLU A 7 -3.717 2.539 -8.605 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.282 4.507 -10.687 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.905 4.243 -9.200 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.337 5.810 -9.739 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.539 5.279 -11.595 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.049 4.481 -12.058 1.00 0.00 H new ATOM 103 N LEU A 8 -2.054 5.650 -8.880 1.00 0.00 N ATOM 104 CA LEU A 8 -1.330 6.389 -7.851 1.00 0.00 C ATOM 105 C LEU A 8 -1.620 7.883 -7.948 1.00 0.00 C ATOM 106 O LEU A 8 -1.866 8.409 -9.034 1.00 0.00 O ATOM 107 CB LEU A 8 0.173 6.139 -7.979 1.00 0.00 C ATOM 108 CG LEU A 8 0.959 6.086 -6.669 1.00 0.00 C ATOM 109 CD1 LEU A 8 0.430 4.976 -5.774 1.00 0.00 C ATOM 110 CD2 LEU A 8 2.443 5.890 -6.944 1.00 0.00 C ATOM 0 H LEU A 8 -1.619 5.676 -9.802 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.669 6.035 -6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.321 5.196 -8.506 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.600 6.924 -8.604 1.00 0.00 H new ATOM 0 HG LEU A 8 0.829 7.036 -6.151 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.001 4.953 -4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.621 5.160 -5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.529 4.018 -6.285 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.986 5.855 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.593 4.955 -7.484 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.814 6.720 -7.546 1.00 0.00 H new ATOM 122 N VAL A 9 -1.586 8.563 -6.807 1.00 0.00 N ATOM 123 CA VAL A 9 -1.841 9.998 -6.763 1.00 0.00 C ATOM 124 C VAL A 9 -0.820 10.711 -5.884 1.00 0.00 C ATOM 125 O VAL A 9 -0.504 10.254 -4.784 1.00 0.00 O ATOM 126 CB VAL A 9 -3.256 10.300 -6.237 1.00 0.00 C ATOM 127 CG1 VAL A 9 -4.303 9.928 -7.275 1.00 0.00 C ATOM 128 CG2 VAL A 9 -3.506 9.566 -4.928 1.00 0.00 C ATOM 0 H VAL A 9 -1.384 8.143 -5.900 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.755 10.367 -7.785 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.333 11.371 -6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.297 10.149 -6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.134 10.504 -8.185 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.230 8.864 -7.500 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.511 9.791 -4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.410 8.492 -5.089 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.776 9.888 -4.185 1.00 0.00 H new ATOM 138 N LEU A 10 -0.307 11.834 -6.374 1.00 0.00 N ATOM 139 CA LEU A 10 0.679 12.612 -5.633 1.00 0.00 C ATOM 140 C LEU A 10 0.049 13.870 -5.044 1.00 0.00 C ATOM 141 O LEU A 10 -0.641 14.615 -5.740 1.00 0.00 O ATOM 142 CB LEU A 10 1.848 12.992 -6.544 1.00 0.00 C ATOM 143 CG LEU A 10 2.950 13.837 -5.904 1.00 0.00 C ATOM 144 CD1 LEU A 10 3.958 12.950 -5.190 1.00 0.00 C ATOM 145 CD2 LEU A 10 3.642 14.695 -6.954 1.00 0.00 C ATOM 0 H LEU A 10 -0.558 12.226 -7.282 1.00 0.00 H new ATOM 0 HA LEU A 10 1.050 11.996 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.297 12.076 -6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.452 13.536 -7.402 1.00 0.00 H new ATOM 0 HG LEU A 10 2.492 14.497 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.734 13.570 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.453 12.380 -4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.410 12.264 -5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.423 15.290 -6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.086 14.052 -7.714 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.913 15.358 -7.420 1.00 0.00 H new ATOM 157 N ALA A 11 0.292 14.102 -3.758 1.00 0.00 N ATOM 158 CA ALA A 11 -0.248 15.272 -3.078 1.00 0.00 C ATOM 159 C ALA A 11 0.550 16.525 -3.422 1.00 0.00 C ATOM 160 O ALA A 11 1.765 16.574 -3.225 1.00 0.00 O ATOM 161 CB ALA A 11 -0.259 15.049 -1.573 1.00 0.00 C ATOM 0 H ALA A 11 0.859 13.495 -3.167 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.272 15.420 -3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.665 15.931 -1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.878 14.183 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.758 14.873 -1.224 1.00 0.00 H new ATOM 167 N LEU A 12 -0.140 17.537 -3.938 1.00 0.00 N ATOM 168 CA LEU A 12 0.505 18.791 -4.311 1.00 0.00 C ATOM 169 C LEU A 12 0.543 19.756 -3.131 1.00 0.00 C ATOM 170 O LEU A 12 1.524 20.474 -2.934 1.00 0.00 O ATOM 171 CB LEU A 12 -0.230 19.435 -5.488 1.00 0.00 C ATOM 172 CG LEU A 12 -0.262 18.624 -6.784 1.00 0.00 C ATOM 173 CD1 LEU A 12 -0.905 19.430 -7.902 1.00 0.00 C ATOM 174 CD2 LEU A 12 1.143 18.191 -7.177 1.00 0.00 C ATOM 0 H LEU A 12 -1.146 17.513 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 12 1.530 18.569 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.257 19.636 -5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.235 20.399 -5.697 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.863 17.730 -6.616 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.919 18.837 -8.816 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.926 19.690 -7.622 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.331 20.342 -8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.101 17.615 -8.101 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.767 19.072 -7.327 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.569 17.575 -6.385 1.00 0.00 H new ATOM 186 N TYR A 13 -0.530 19.767 -2.348 1.00 0.00 N ATOM 187 CA TYR A 13 -0.620 20.644 -1.186 1.00 0.00 C ATOM 188 C TYR A 13 -0.614 19.836 0.108 1.00 0.00 C ATOM 189 O TYR A 13 -0.435 18.618 0.092 1.00 0.00 O ATOM 190 CB TYR A 13 -1.887 21.497 -1.263 1.00 0.00 C ATOM 191 CG TYR A 13 -1.931 22.409 -2.468 1.00 0.00 C ATOM 192 CD1 TYR A 13 -2.199 21.905 -3.735 1.00 0.00 C ATOM 193 CD2 TYR A 13 -1.705 23.773 -2.341 1.00 0.00 C ATOM 194 CE1 TYR A 13 -2.241 22.733 -4.839 1.00 0.00 C ATOM 195 CE2 TYR A 13 -1.745 24.610 -3.439 1.00 0.00 C ATOM 196 CZ TYR A 13 -2.013 24.085 -4.686 1.00 0.00 C ATOM 197 OH TYR A 13 -2.053 24.915 -5.783 1.00 0.00 O ATOM 0 H TYR A 13 -1.350 19.179 -2.497 1.00 0.00 H new ATOM 0 HA TYR A 13 0.251 21.299 -1.187 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.756 20.840 -1.283 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.964 22.100 -0.358 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.378 20.847 -3.858 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.494 24.187 -1.366 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.451 22.325 -5.817 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.568 25.669 -3.322 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.872 25.837 -5.503 1.00 0.00 H new ATOM 207 N ASP A 14 -0.812 20.524 1.227 1.00 0.00 N ATOM 208 CA ASP A 14 -0.832 19.872 2.531 1.00 0.00 C ATOM 209 C ASP A 14 -2.262 19.710 3.037 1.00 0.00 C ATOM 210 O ASP A 14 -3.095 20.600 2.867 1.00 0.00 O ATOM 211 CB ASP A 14 -0.009 20.676 3.540 1.00 0.00 C ATOM 212 CG ASP A 14 -0.444 22.126 3.615 1.00 0.00 C ATOM 213 OD1 ASP A 14 -0.039 22.913 2.735 1.00 0.00 O ATOM 214 OD2 ASP A 14 -1.188 22.475 4.556 1.00 0.00 O ATOM 0 H ASP A 14 -0.961 21.533 1.257 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.391 18.881 2.420 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.102 20.220 4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.045 20.629 3.265 1.00 0.00 H new ATOM 219 N TYR A 15 -2.539 18.568 3.657 1.00 0.00 N ATOM 220 CA TYR A 15 -3.869 18.288 4.184 1.00 0.00 C ATOM 221 C TYR A 15 -3.783 17.604 5.545 1.00 0.00 C ATOM 222 O TYR A 15 -2.760 17.015 5.891 1.00 0.00 O ATOM 223 CB TYR A 15 -4.653 17.410 3.207 1.00 0.00 C ATOM 224 CG TYR A 15 -6.115 17.264 3.563 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.983 18.346 3.478 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.630 16.044 3.984 1.00 0.00 C ATOM 227 CE1 TYR A 15 -8.319 18.218 3.803 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.965 15.906 4.310 1.00 0.00 C ATOM 229 CZ TYR A 15 -8.806 16.996 4.218 1.00 0.00 C ATOM 230 OH TYR A 15 -10.137 16.863 4.541 1.00 0.00 O ATOM 0 H TYR A 15 -1.860 17.822 3.807 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.391 19.237 4.308 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.572 17.833 2.206 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.196 16.421 3.173 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.606 19.304 3.152 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.975 15.189 4.058 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.979 19.070 3.733 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.349 14.950 4.635 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.686 17.047 3.750 1.00 0.00 H new ATOM 240 N GLN A 16 -4.866 17.687 6.311 1.00 0.00 N ATOM 241 CA GLN A 16 -4.914 17.076 7.634 1.00 0.00 C ATOM 242 C GLN A 16 -6.150 16.195 7.783 1.00 0.00 C ATOM 243 O GLN A 16 -7.168 16.424 7.130 1.00 0.00 O ATOM 244 CB GLN A 16 -4.909 18.156 8.718 1.00 0.00 C ATOM 245 CG GLN A 16 -5.860 19.307 8.434 1.00 0.00 C ATOM 246 CD GLN A 16 -7.315 18.881 8.462 1.00 0.00 C ATOM 247 OE1 GLN A 16 -7.814 18.401 9.480 1.00 0.00 O ATOM 248 NE2 GLN A 16 -8.005 19.057 7.341 1.00 0.00 N ATOM 0 H GLN A 16 -5.721 18.171 6.038 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.029 16.450 7.750 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.176 17.702 9.672 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.898 18.549 8.823 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.702 20.095 9.171 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.628 19.732 7.458 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.551 19.459 6.521 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.989 18.791 7.301 1.00 0.00 H new ATOM 257 N GLU A 17 -6.053 15.188 8.645 1.00 0.00 N ATOM 258 CA GLU A 17 -7.164 14.273 8.878 1.00 0.00 C ATOM 259 C GLU A 17 -7.950 14.676 10.122 1.00 0.00 C ATOM 260 O GLU A 17 -7.371 14.971 11.168 1.00 0.00 O ATOM 261 CB GLU A 17 -6.650 12.840 9.028 1.00 0.00 C ATOM 262 CG GLU A 17 -5.952 12.579 10.352 1.00 0.00 C ATOM 263 CD GLU A 17 -5.201 11.262 10.366 1.00 0.00 C ATOM 264 OE1 GLU A 17 -5.101 10.626 9.296 1.00 0.00 O ATOM 265 OE2 GLU A 17 -4.714 10.868 11.446 1.00 0.00 O ATOM 0 H GLU A 17 -5.217 14.985 9.193 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.830 14.324 8.017 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.488 12.150 8.926 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.959 12.624 8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.256 13.392 10.558 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.690 12.581 11.154 1.00 0.00 H new ATOM 272 N LYS A 18 -9.273 14.687 10.002 1.00 0.00 N ATOM 273 CA LYS A 18 -10.140 15.053 11.115 1.00 0.00 C ATOM 274 C LYS A 18 -11.000 13.870 11.547 1.00 0.00 C ATOM 275 O LYS A 18 -11.176 13.621 12.740 1.00 0.00 O ATOM 276 CB LYS A 18 -11.036 16.232 10.725 1.00 0.00 C ATOM 277 CG LYS A 18 -11.693 16.915 11.911 1.00 0.00 C ATOM 278 CD LYS A 18 -13.052 16.310 12.221 1.00 0.00 C ATOM 279 CE LYS A 18 -13.380 16.403 13.703 1.00 0.00 C ATOM 280 NZ LYS A 18 -13.884 17.754 14.076 1.00 0.00 N ATOM 0 H LYS A 18 -9.769 14.446 9.144 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.508 15.346 11.953 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.441 16.964 10.179 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.811 15.879 10.045 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.047 16.829 12.785 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.806 17.979 11.702 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.820 16.825 11.644 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.066 15.266 11.909 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.129 15.653 13.957 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.489 16.174 14.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.096 17.777 15.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.159 18.467 13.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.749 17.963 13.537 1.00 0.00 H new ATOM 294 N SER A 19 -11.531 13.142 10.570 1.00 0.00 N ATOM 295 CA SER A 19 -12.374 11.985 10.850 1.00 0.00 C ATOM 296 C SER A 19 -11.537 10.713 10.944 1.00 0.00 C ATOM 297 O SER A 19 -10.406 10.647 10.463 1.00 0.00 O ATOM 298 CB SER A 19 -13.440 11.829 9.764 1.00 0.00 C ATOM 299 OG SER A 19 -13.427 12.932 8.874 1.00 0.00 O ATOM 0 H SER A 19 -11.393 13.333 9.578 1.00 0.00 H new ATOM 0 HA SER A 19 -12.865 12.148 11.810 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.266 10.908 9.209 1.00 0.00 H new ATOM 0 HB3 SER A 19 -14.424 11.742 10.225 1.00 0.00 H new ATOM 0 HG SER A 19 -14.116 12.807 8.188 1.00 0.00 H new ATOM 305 N PRO A 20 -12.106 9.677 11.579 1.00 0.00 N ATOM 306 CA PRO A 20 -11.431 8.388 11.752 1.00 0.00 C ATOM 307 C PRO A 20 -11.287 7.629 10.437 1.00 0.00 C ATOM 308 O PRO A 20 -10.529 6.662 10.347 1.00 0.00 O ATOM 309 CB PRO A 20 -12.355 7.629 12.708 1.00 0.00 C ATOM 310 CG PRO A 20 -13.698 8.238 12.500 1.00 0.00 C ATOM 311 CD PRO A 20 -13.451 9.686 12.178 1.00 0.00 C ATOM 0 HA PRO A 20 -10.414 8.507 12.125 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.365 6.562 12.485 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.028 7.735 13.742 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.229 7.743 11.687 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.315 8.137 13.393 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.197 10.077 11.486 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -13.489 10.309 13.072 1.00 0.00 H new ATOM 319 N ARG A 21 -12.017 8.073 9.420 1.00 0.00 N ATOM 320 CA ARG A 21 -11.970 7.434 8.110 1.00 0.00 C ATOM 321 C ARG A 21 -11.205 8.298 7.111 1.00 0.00 C ATOM 322 O ARG A 21 -11.420 8.204 5.903 1.00 0.00 O ATOM 323 CB ARG A 21 -13.387 7.175 7.594 1.00 0.00 C ATOM 324 CG ARG A 21 -14.254 8.422 7.540 1.00 0.00 C ATOM 325 CD ARG A 21 -15.684 8.090 7.146 1.00 0.00 C ATOM 326 NE ARG A 21 -16.385 9.249 6.599 1.00 0.00 N ATOM 327 CZ ARG A 21 -16.758 10.294 7.329 1.00 0.00 C ATOM 328 NH1 ARG A 21 -16.498 10.326 8.629 1.00 0.00 N ATOM 329 NH2 ARG A 21 -17.391 11.311 6.759 1.00 0.00 N ATOM 0 H ARG A 21 -12.648 8.872 9.477 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.449 6.482 8.216 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.327 6.741 6.596 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.868 6.436 8.235 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.248 8.913 8.513 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.833 9.128 6.824 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.680 7.288 6.408 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.223 7.719 8.018 1.00 0.00 H new ATOM 0 HE ARG A 21 -16.600 9.256 5.602 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.010 9.547 9.071 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.786 11.130 9.187 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -17.592 11.291 5.759 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.677 12.113 7.321 1.00 0.00 H new ATOM 343 N GLU A 22 -10.312 9.137 7.625 1.00 0.00 N ATOM 344 CA GLU A 22 -9.516 10.018 6.778 1.00 0.00 C ATOM 345 C GLU A 22 -8.025 9.822 7.039 1.00 0.00 C ATOM 346 O GLU A 22 -7.624 9.381 8.117 1.00 0.00 O ATOM 347 CB GLU A 22 -9.900 11.479 7.020 1.00 0.00 C ATOM 348 CG GLU A 22 -11.273 11.845 6.482 1.00 0.00 C ATOM 349 CD GLU A 22 -11.348 13.281 6.003 1.00 0.00 C ATOM 350 OE1 GLU A 22 -10.450 13.702 5.244 1.00 0.00 O ATOM 351 OE2 GLU A 22 -12.306 13.985 6.387 1.00 0.00 O ATOM 0 H GLU A 22 -10.121 9.226 8.623 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.722 9.764 5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.873 11.680 8.091 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.154 12.124 6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.526 11.178 5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.018 11.686 7.261 1.00 0.00 H new ATOM 358 N VAL A 23 -7.208 10.154 6.045 1.00 0.00 N ATOM 359 CA VAL A 23 -5.761 10.016 6.166 1.00 0.00 C ATOM 360 C VAL A 23 -5.063 11.356 5.968 1.00 0.00 C ATOM 361 O VAL A 23 -5.493 12.181 5.160 1.00 0.00 O ATOM 362 CB VAL A 23 -5.206 9.005 5.145 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.700 7.601 5.461 1.00 0.00 C ATOM 364 CG2 VAL A 23 -5.594 9.409 3.730 1.00 0.00 C ATOM 0 H VAL A 23 -7.523 10.520 5.147 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.561 9.651 7.173 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.118 9.006 5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.298 6.900 4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.368 7.314 6.459 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.789 7.581 5.422 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.194 8.684 3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.680 9.438 3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.186 10.395 3.509 1.00 0.00 H new ATOM 374 N THR A 24 -3.981 11.569 6.710 1.00 0.00 N ATOM 375 CA THR A 24 -3.222 12.810 6.618 1.00 0.00 C ATOM 376 C THR A 24 -2.182 12.736 5.506 1.00 0.00 C ATOM 377 O THR A 24 -1.378 11.806 5.455 1.00 0.00 O ATOM 378 CB THR A 24 -2.514 13.136 7.946 1.00 0.00 C ATOM 379 OG1 THR A 24 -3.479 13.269 8.996 1.00 0.00 O ATOM 380 CG2 THR A 24 -1.706 14.420 7.828 1.00 0.00 C ATOM 0 H THR A 24 -3.610 10.897 7.382 1.00 0.00 H new ATOM 0 HA THR A 24 -3.937 13.602 6.393 1.00 0.00 H new ATOM 0 HB THR A 24 -1.833 12.317 8.180 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.021 13.475 9.837 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.215 14.630 8.778 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.953 14.306 7.048 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.370 15.246 7.573 1.00 0.00 H new ATOM 388 N MET A 25 -2.203 13.724 4.616 1.00 0.00 N ATOM 389 CA MET A 25 -1.259 13.771 3.505 1.00 0.00 C ATOM 390 C MET A 25 -0.564 15.127 3.440 1.00 0.00 C ATOM 391 O MET A 25 -1.049 16.113 3.996 1.00 0.00 O ATOM 392 CB MET A 25 -1.978 13.490 2.185 1.00 0.00 C ATOM 393 CG MET A 25 -3.163 14.407 1.930 1.00 0.00 C ATOM 394 SD MET A 25 -3.897 14.159 0.302 1.00 0.00 S ATOM 395 CE MET A 25 -4.758 15.714 0.078 1.00 0.00 C ATOM 0 H MET A 25 -2.863 14.502 4.643 1.00 0.00 H new ATOM 0 HA MET A 25 -0.504 13.003 3.670 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.267 13.592 1.365 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.322 12.456 2.181 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.920 14.237 2.695 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.842 15.444 2.025 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.519 15.601 -0.694 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.233 16.005 1.015 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.047 16.483 -0.223 1.00 0.00 H new ATOM 405 N LYS A 26 0.575 15.171 2.758 1.00 0.00 N ATOM 406 CA LYS A 26 1.337 16.406 2.619 1.00 0.00 C ATOM 407 C LYS A 26 1.942 16.518 1.223 1.00 0.00 C ATOM 408 O LYS A 26 2.137 15.514 0.537 1.00 0.00 O ATOM 409 CB LYS A 26 2.446 16.467 3.672 1.00 0.00 C ATOM 410 CG LYS A 26 1.928 16.630 5.091 1.00 0.00 C ATOM 411 CD LYS A 26 1.537 18.070 5.380 1.00 0.00 C ATOM 412 CE LYS A 26 2.719 18.876 5.896 1.00 0.00 C ATOM 413 NZ LYS A 26 3.490 19.502 4.787 1.00 0.00 N ATOM 0 H LYS A 26 0.991 14.365 2.292 1.00 0.00 H new ATOM 0 HA LYS A 26 0.655 17.243 2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.042 15.556 3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.112 17.298 3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.066 15.981 5.241 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.694 16.311 5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.149 18.532 4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.733 18.089 6.116 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.362 19.652 6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.377 18.227 6.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.906 20.397 5.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.248 18.858 4.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.855 19.690 3.985 1.00 0.00 H new ATOM 427 N LYS A 27 2.239 17.745 0.808 1.00 0.00 N ATOM 428 CA LYS A 27 2.824 17.989 -0.505 1.00 0.00 C ATOM 429 C LYS A 27 4.048 17.106 -0.727 1.00 0.00 C ATOM 430 O LYS A 27 5.112 17.348 -0.159 1.00 0.00 O ATOM 431 CB LYS A 27 3.213 19.462 -0.647 1.00 0.00 C ATOM 432 CG LYS A 27 3.925 20.024 0.571 1.00 0.00 C ATOM 433 CD LYS A 27 3.021 20.951 1.367 1.00 0.00 C ATOM 434 CE LYS A 27 2.730 22.235 0.605 1.00 0.00 C ATOM 435 NZ LYS A 27 3.969 23.021 0.349 1.00 0.00 N ATOM 0 H LYS A 27 2.084 18.587 1.363 1.00 0.00 H new ATOM 0 HA LYS A 27 2.077 17.742 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.857 19.576 -1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.315 20.050 -0.835 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.260 19.205 1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.816 20.566 0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.085 20.441 1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.493 21.191 2.320 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.251 21.994 -0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.025 22.843 1.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.715 23.997 0.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.559 23.028 1.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.500 22.588 -0.434 1.00 0.00 H new ATOM 449 N GLY A 28 3.889 16.081 -1.559 1.00 0.00 N ATOM 450 CA GLY A 28 4.990 15.178 -1.843 1.00 0.00 C ATOM 451 C GLY A 28 4.679 13.746 -1.457 1.00 0.00 C ATOM 452 O GLY A 28 5.446 12.833 -1.763 1.00 0.00 O ATOM 0 H GLY A 28 3.018 15.860 -2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.226 15.221 -2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.877 15.512 -1.305 1.00 0.00 H new ATOM 456 N ASP A 29 3.552 13.548 -0.782 1.00 0.00 N ATOM 457 CA ASP A 29 3.142 12.216 -0.353 1.00 0.00 C ATOM 458 C ASP A 29 2.521 11.439 -1.510 1.00 0.00 C ATOM 459 O ASP A 29 2.023 12.029 -2.469 1.00 0.00 O ATOM 460 CB ASP A 29 2.147 12.313 0.804 1.00 0.00 C ATOM 461 CG ASP A 29 2.450 11.326 1.914 1.00 0.00 C ATOM 462 OD1 ASP A 29 3.176 10.344 1.652 1.00 0.00 O ATOM 463 OD2 ASP A 29 1.962 11.535 3.044 1.00 0.00 O ATOM 0 H ASP A 29 2.906 14.293 -0.520 1.00 0.00 H new ATOM 0 HA ASP A 29 4.030 11.681 -0.015 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.162 13.325 1.208 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.139 12.135 0.428 1.00 0.00 H new ATOM 468 N ILE A 30 2.556 10.115 -1.414 1.00 0.00 N ATOM 469 CA ILE A 30 1.997 9.258 -2.452 1.00 0.00 C ATOM 470 C ILE A 30 0.920 8.340 -1.886 1.00 0.00 C ATOM 471 O ILE A 30 1.177 7.548 -0.978 1.00 0.00 O ATOM 472 CB ILE A 30 3.087 8.401 -3.122 1.00 0.00 C ATOM 473 CG1 ILE A 30 4.168 9.296 -3.732 1.00 0.00 C ATOM 474 CG2 ILE A 30 2.475 7.501 -4.185 1.00 0.00 C ATOM 475 CD1 ILE A 30 5.415 8.544 -4.143 1.00 0.00 C ATOM 0 H ILE A 30 2.966 9.612 -0.627 1.00 0.00 H new ATOM 0 HA ILE A 30 1.554 9.916 -3.199 1.00 0.00 H new ATOM 0 HB ILE A 30 3.550 7.771 -2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.757 9.806 -4.604 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.440 10.067 -3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.258 6.902 -4.649 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.739 6.842 -3.724 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.989 8.113 -4.944 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.137 9.242 -4.567 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.850 8.057 -3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.157 7.791 -4.888 1.00 0.00 H new ATOM 487 N LEU A 31 -0.287 8.448 -2.430 1.00 0.00 N ATOM 488 CA LEU A 31 -1.405 7.626 -1.981 1.00 0.00 C ATOM 489 C LEU A 31 -1.917 6.738 -3.111 1.00 0.00 C ATOM 490 O LEU A 31 -1.707 7.030 -4.289 1.00 0.00 O ATOM 491 CB LEU A 31 -2.538 8.511 -1.459 1.00 0.00 C ATOM 492 CG LEU A 31 -2.125 9.651 -0.529 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.201 10.726 -0.490 1.00 0.00 C ATOM 494 CD2 LEU A 31 -1.845 9.123 0.871 1.00 0.00 C ATOM 0 H LEU A 31 -0.517 9.097 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.051 6.986 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.062 8.938 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.252 7.879 -0.931 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.209 10.097 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.889 11.529 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.353 11.126 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.134 10.294 -0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.552 9.949 1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.743 8.651 1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.038 8.391 0.829 1.00 0.00 H new ATOM 506 N THR A 32 -2.593 5.653 -2.746 1.00 0.00 N ATOM 507 CA THR A 32 -3.136 4.724 -3.728 1.00 0.00 C ATOM 508 C THR A 32 -4.615 4.994 -3.982 1.00 0.00 C ATOM 509 O THR A 32 -5.468 4.655 -3.160 1.00 0.00 O ATOM 510 CB THR A 32 -2.963 3.262 -3.275 1.00 0.00 C ATOM 511 OG1 THR A 32 -1.588 3.003 -2.971 1.00 0.00 O ATOM 512 CG2 THR A 32 -3.441 2.301 -4.353 1.00 0.00 C ATOM 0 H THR A 32 -2.777 5.396 -1.776 1.00 0.00 H new ATOM 0 HA THR A 32 -2.578 4.879 -4.651 1.00 0.00 H new ATOM 0 HB THR A 32 -3.567 3.108 -2.381 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.487 2.072 -2.682 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.309 1.275 -4.010 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.496 2.482 -4.560 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.861 2.457 -5.263 1.00 0.00 H new ATOM 520 N LEU A 33 -4.913 5.605 -5.123 1.00 0.00 N ATOM 521 CA LEU A 33 -6.290 5.921 -5.485 1.00 0.00 C ATOM 522 C LEU A 33 -7.159 4.667 -5.465 1.00 0.00 C ATOM 523 O LEU A 33 -6.997 3.772 -6.296 1.00 0.00 O ATOM 524 CB LEU A 33 -6.339 6.566 -6.871 1.00 0.00 C ATOM 525 CG LEU A 33 -7.434 7.611 -7.087 1.00 0.00 C ATOM 526 CD1 LEU A 33 -8.797 7.039 -6.729 1.00 0.00 C ATOM 527 CD2 LEU A 33 -7.147 8.861 -6.268 1.00 0.00 C ATOM 0 H LEU A 33 -4.219 5.892 -5.814 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.681 6.624 -4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.374 7.034 -7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.466 5.777 -7.612 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.444 7.886 -8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.563 7.797 -6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.005 6.174 -7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.801 6.735 -5.682 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.936 9.594 -6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.109 8.602 -5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.190 9.284 -6.573 1.00 0.00 H new ATOM 539 N LEU A 34 -8.083 4.610 -4.511 1.00 0.00 N ATOM 540 CA LEU A 34 -8.980 3.467 -4.383 1.00 0.00 C ATOM 541 C LEU A 34 -10.366 3.799 -4.926 1.00 0.00 C ATOM 542 O LEU A 34 -11.009 2.968 -5.567 1.00 0.00 O ATOM 543 CB LEU A 34 -9.083 3.035 -2.920 1.00 0.00 C ATOM 544 CG LEU A 34 -9.214 1.532 -2.670 1.00 0.00 C ATOM 545 CD1 LEU A 34 -8.633 1.163 -1.314 1.00 0.00 C ATOM 546 CD2 LEU A 34 -10.670 1.101 -2.764 1.00 0.00 C ATOM 0 H LEU A 34 -8.230 5.342 -3.816 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.567 2.646 -4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.199 3.395 -2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.944 3.533 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.649 1.005 -3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.735 0.090 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.578 1.435 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.169 1.699 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.744 0.029 -2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.257 1.636 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.053 1.329 -3.759 1.00 0.00 H new ATOM 558 N ASN A 35 -10.820 5.021 -4.666 1.00 0.00 N ATOM 559 CA ASN A 35 -12.130 5.464 -5.129 1.00 0.00 C ATOM 560 C ASN A 35 -12.068 6.899 -5.645 1.00 0.00 C ATOM 561 O ASN A 35 -11.673 7.813 -4.922 1.00 0.00 O ATOM 562 CB ASN A 35 -13.156 5.361 -3.999 1.00 0.00 C ATOM 563 CG ASN A 35 -14.490 5.979 -4.371 1.00 0.00 C ATOM 564 OD1 ASN A 35 -14.952 6.921 -3.727 1.00 0.00 O ATOM 565 ND2 ASN A 35 -15.117 5.448 -5.415 1.00 0.00 N ATOM 0 H ASN A 35 -10.300 5.722 -4.137 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.436 4.814 -5.949 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.304 4.312 -3.741 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.765 5.856 -3.110 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.019 5.821 -5.712 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.697 4.668 -5.920 1.00 0.00 H new ATOM 572 N SER A 36 -12.461 7.088 -6.901 1.00 0.00 N ATOM 573 CA SER A 36 -12.447 8.410 -7.515 1.00 0.00 C ATOM 574 C SER A 36 -13.816 8.755 -8.093 1.00 0.00 C ATOM 575 O SER A 36 -13.936 9.612 -8.970 1.00 0.00 O ATOM 576 CB SER A 36 -11.386 8.473 -8.615 1.00 0.00 C ATOM 577 OG SER A 36 -11.955 8.221 -9.888 1.00 0.00 O ATOM 0 H SER A 36 -12.793 6.342 -7.513 1.00 0.00 H new ATOM 0 HA SER A 36 -12.204 9.140 -6.743 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.913 9.455 -8.613 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.603 7.742 -8.412 1.00 0.00 H new ATOM 0 HG SER A 36 -12.626 8.906 -10.088 1.00 0.00 H new ATOM 583 N THR A 37 -14.849 8.082 -7.595 1.00 0.00 N ATOM 584 CA THR A 37 -16.210 8.315 -8.061 1.00 0.00 C ATOM 585 C THR A 37 -16.553 9.800 -8.035 1.00 0.00 C ATOM 586 O THR A 37 -17.332 10.281 -8.856 1.00 0.00 O ATOM 587 CB THR A 37 -17.235 7.547 -7.206 1.00 0.00 C ATOM 588 OG1 THR A 37 -18.547 7.701 -7.760 1.00 0.00 O ATOM 589 CG2 THR A 37 -17.224 8.047 -5.769 1.00 0.00 C ATOM 0 H THR A 37 -14.768 7.371 -6.868 1.00 0.00 H new ATOM 0 HA THR A 37 -16.260 7.952 -9.088 1.00 0.00 H new ATOM 0 HB THR A 37 -16.961 6.492 -7.209 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.193 7.209 -7.212 1.00 0.00 H new ATOM 0 HG21 THR A 37 -17.956 7.490 -5.184 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.232 7.903 -5.341 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.476 9.107 -5.751 1.00 0.00 H new ATOM 597 N ASN A 38 -15.965 10.522 -7.087 1.00 0.00 N ATOM 598 CA ASN A 38 -16.209 11.954 -6.954 1.00 0.00 C ATOM 599 C ASN A 38 -15.098 12.759 -7.620 1.00 0.00 C ATOM 600 O ASN A 38 -14.111 12.199 -8.099 1.00 0.00 O ATOM 601 CB ASN A 38 -16.318 12.339 -5.477 1.00 0.00 C ATOM 602 CG ASN A 38 -17.747 12.631 -5.060 1.00 0.00 C ATOM 603 OD1 ASN A 38 -18.512 11.719 -4.745 1.00 0.00 O ATOM 604 ND2 ASN A 38 -18.113 13.908 -5.056 1.00 0.00 N ATOM 0 H ASN A 38 -15.316 10.139 -6.399 1.00 0.00 H new ATOM 0 HA ASN A 38 -17.150 12.185 -7.453 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -15.921 11.530 -4.863 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.700 13.217 -5.286 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -19.062 14.166 -4.784 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.445 14.631 -5.325 1.00 0.00 H new ATOM 611 N LYS A 39 -15.264 14.077 -7.647 1.00 0.00 N ATOM 612 CA LYS A 39 -14.275 14.961 -8.252 1.00 0.00 C ATOM 613 C LYS A 39 -13.664 15.890 -7.208 1.00 0.00 C ATOM 614 O LYS A 39 -12.560 16.402 -7.389 1.00 0.00 O ATOM 615 CB LYS A 39 -14.915 15.785 -9.372 1.00 0.00 C ATOM 616 CG LYS A 39 -16.099 16.619 -8.912 1.00 0.00 C ATOM 617 CD LYS A 39 -17.406 15.854 -9.048 1.00 0.00 C ATOM 618 CE LYS A 39 -18.567 16.787 -9.356 1.00 0.00 C ATOM 619 NZ LYS A 39 -19.872 16.068 -9.348 1.00 0.00 N ATOM 0 H LYS A 39 -16.075 14.557 -7.257 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.481 14.344 -8.672 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.162 16.445 -9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.241 15.113 -10.166 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.955 16.914 -7.873 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.150 17.536 -9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.314 15.112 -9.841 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.609 15.311 -8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.591 17.592 -8.621 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.413 17.250 -10.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -20.639 16.737 -9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -19.858 15.316 -10.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -20.031 15.648 -8.410 1.00 0.00 H new ATOM 633 N ASP A 40 -14.389 16.102 -6.115 1.00 0.00 N ATOM 634 CA ASP A 40 -13.917 16.967 -5.040 1.00 0.00 C ATOM 635 C ASP A 40 -13.288 16.146 -3.919 1.00 0.00 C ATOM 636 O ASP A 40 -12.181 16.439 -3.468 1.00 0.00 O ATOM 637 CB ASP A 40 -15.070 17.807 -4.490 1.00 0.00 C ATOM 638 CG ASP A 40 -15.752 18.630 -5.565 1.00 0.00 C ATOM 639 OD1 ASP A 40 -15.047 19.372 -6.281 1.00 0.00 O ATOM 640 OD2 ASP A 40 -16.990 18.531 -5.691 1.00 0.00 O ATOM 0 H ASP A 40 -15.306 15.687 -5.950 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.156 17.632 -5.449 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.802 17.150 -4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.693 18.471 -3.713 1.00 0.00 H new ATOM 645 N TRP A 41 -14.003 15.120 -3.472 1.00 0.00 N ATOM 646 CA TRP A 41 -13.515 14.258 -2.401 1.00 0.00 C ATOM 647 C TRP A 41 -13.028 12.924 -2.956 1.00 0.00 C ATOM 648 O TRP A 41 -13.824 12.102 -3.410 1.00 0.00 O ATOM 649 CB TRP A 41 -14.616 14.022 -1.366 1.00 0.00 C ATOM 650 CG TRP A 41 -14.889 15.219 -0.507 1.00 0.00 C ATOM 651 CD1 TRP A 41 -15.978 16.042 -0.570 1.00 0.00 C ATOM 652 CD2 TRP A 41 -14.059 15.729 0.542 1.00 0.00 C ATOM 653 NE1 TRP A 41 -15.874 17.032 0.377 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.707 16.862 1.073 1.00 0.00 C ATOM 655 CE3 TRP A 41 -12.833 15.338 1.086 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -14.167 17.605 2.119 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -12.298 16.077 2.124 1.00 0.00 C ATOM 658 CH2 TRP A 41 -12.965 17.200 2.632 1.00 0.00 C ATOM 0 H TRP A 41 -14.922 14.865 -3.834 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.675 14.759 -1.919 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -15.533 13.736 -1.881 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -14.333 13.184 -0.729 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -16.799 15.931 -1.262 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -16.556 17.774 0.536 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.312 14.473 0.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -14.679 18.471 2.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -11.350 15.784 2.551 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -12.522 17.757 3.444 1.00 0.00 H new ATOM 669 N TRP A 42 -11.717 12.715 -2.917 1.00 0.00 N ATOM 670 CA TRP A 42 -11.125 11.479 -3.417 1.00 0.00 C ATOM 671 C TRP A 42 -10.721 10.565 -2.265 1.00 0.00 C ATOM 672 O TRP A 42 -10.160 11.018 -1.267 1.00 0.00 O ATOM 673 CB TRP A 42 -9.907 11.789 -4.289 1.00 0.00 C ATOM 674 CG TRP A 42 -10.248 11.986 -5.735 1.00 0.00 C ATOM 675 CD1 TRP A 42 -11.497 12.108 -6.274 1.00 0.00 C ATOM 676 CD2 TRP A 42 -9.327 12.082 -6.827 1.00 0.00 C ATOM 677 NE1 TRP A 42 -11.408 12.274 -7.635 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.088 12.262 -7.999 1.00 0.00 C ATOM 679 CE3 TRP A 42 -7.934 12.034 -6.929 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -9.500 12.394 -9.255 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -7.353 12.165 -8.176 1.00 0.00 C ATOM 682 CH2 TRP A 42 -8.134 12.344 -9.325 1.00 0.00 C ATOM 0 H TRP A 42 -11.044 13.385 -2.545 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.873 10.965 -4.020 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.418 12.688 -3.912 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.188 10.974 -4.200 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.419 12.078 -5.713 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -12.197 12.388 -8.271 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.323 11.897 -6.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.101 12.531 -10.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.277 12.129 -8.266 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.649 12.444 -10.285 1.00 0.00 H new ATOM 693 N LYS A 43 -11.008 9.276 -2.410 1.00 0.00 N ATOM 694 CA LYS A 43 -10.673 8.297 -1.383 1.00 0.00 C ATOM 695 C LYS A 43 -9.498 7.428 -1.821 1.00 0.00 C ATOM 696 O LYS A 43 -9.604 6.659 -2.776 1.00 0.00 O ATOM 697 CB LYS A 43 -11.886 7.415 -1.075 1.00 0.00 C ATOM 698 CG LYS A 43 -11.523 5.981 -0.731 1.00 0.00 C ATOM 699 CD LYS A 43 -12.624 5.304 0.068 1.00 0.00 C ATOM 700 CE LYS A 43 -13.561 4.513 -0.832 1.00 0.00 C ATOM 701 NZ LYS A 43 -14.141 3.334 -0.130 1.00 0.00 N ATOM 0 H LYS A 43 -11.472 8.885 -3.230 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.386 8.838 -0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.440 7.850 -0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.553 7.415 -1.937 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.341 5.421 -1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.595 5.967 -0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.181 4.638 0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.192 6.056 0.615 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.366 5.162 -1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.019 4.178 -1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.837 2.870 -0.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.383 2.661 0.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.608 3.646 0.745 1.00 0.00 H new ATOM 715 N VAL A 44 -8.379 7.556 -1.116 1.00 0.00 N ATOM 716 CA VAL A 44 -7.185 6.781 -1.431 1.00 0.00 C ATOM 717 C VAL A 44 -6.865 5.787 -0.319 1.00 0.00 C ATOM 718 O VAL A 44 -7.594 5.691 0.668 1.00 0.00 O ATOM 719 CB VAL A 44 -5.965 7.694 -1.653 1.00 0.00 C ATOM 720 CG1 VAL A 44 -6.046 8.371 -3.013 1.00 0.00 C ATOM 721 CG2 VAL A 44 -5.862 8.726 -0.540 1.00 0.00 C ATOM 0 H VAL A 44 -8.274 8.189 -0.323 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.396 6.237 -2.352 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.065 7.080 -1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.176 9.012 -3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.068 7.613 -3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.953 8.973 -3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.994 9.362 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.764 9.338 -0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.754 8.218 0.418 1.00 0.00 H new ATOM 731 N GLU A 45 -5.772 5.051 -0.487 1.00 0.00 N ATOM 732 CA GLU A 45 -5.356 4.064 0.503 1.00 0.00 C ATOM 733 C GLU A 45 -3.902 4.282 0.912 1.00 0.00 C ATOM 734 O GLU A 45 -3.056 4.614 0.082 1.00 0.00 O ATOM 735 CB GLU A 45 -5.536 2.648 -0.049 1.00 0.00 C ATOM 736 CG GLU A 45 -5.470 1.567 1.016 1.00 0.00 C ATOM 737 CD GLU A 45 -5.407 0.171 0.427 1.00 0.00 C ATOM 738 OE1 GLU A 45 -4.464 -0.107 -0.343 1.00 0.00 O ATOM 739 OE2 GLU A 45 -6.301 -0.644 0.737 1.00 0.00 O ATOM 0 H GLU A 45 -5.158 5.119 -1.299 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.985 4.185 1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.497 2.585 -0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.766 2.458 -0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.594 1.733 1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.344 1.645 1.663 1.00 0.00 H new ATOM 746 N VAL A 46 -3.620 4.093 2.197 1.00 0.00 N ATOM 747 CA VAL A 46 -2.270 4.268 2.717 1.00 0.00 C ATOM 748 C VAL A 46 -1.763 2.988 3.373 1.00 0.00 C ATOM 749 O VAL A 46 -2.545 2.098 3.710 1.00 0.00 O ATOM 750 CB VAL A 46 -2.207 5.416 3.741 1.00 0.00 C ATOM 751 CG1 VAL A 46 -2.565 6.740 3.083 1.00 0.00 C ATOM 752 CG2 VAL A 46 -3.128 5.131 4.918 1.00 0.00 C ATOM 0 H VAL A 46 -4.309 3.819 2.897 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.633 4.514 1.867 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.186 5.488 4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.515 7.539 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.862 6.947 2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.575 6.683 2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.071 5.953 5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.153 5.030 4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.821 4.205 5.405 1.00 0.00 H new ATOM 762 N LYS A 47 -0.449 2.901 3.552 1.00 0.00 N ATOM 763 CA LYS A 47 0.164 1.731 4.169 1.00 0.00 C ATOM 764 C LYS A 47 0.940 2.122 5.423 1.00 0.00 C ATOM 765 O LYS A 47 1.956 2.813 5.345 1.00 0.00 O ATOM 766 CB LYS A 47 1.096 1.034 3.176 1.00 0.00 C ATOM 767 CG LYS A 47 1.370 -0.420 3.517 1.00 0.00 C ATOM 768 CD LYS A 47 0.333 -1.343 2.900 1.00 0.00 C ATOM 769 CE LYS A 47 0.926 -2.702 2.562 1.00 0.00 C ATOM 770 NZ LYS A 47 1.480 -2.737 1.180 1.00 0.00 N ATOM 0 H LYS A 47 0.212 3.628 3.278 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.632 1.043 4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.658 1.088 2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.042 1.574 3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.362 -0.697 3.161 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.373 -0.546 4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.500 -1.470 3.592 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.070 -0.886 1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.714 -2.942 3.275 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.158 -3.469 2.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.875 -3.680 0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.723 -2.533 0.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.230 -2.022 1.088 1.00 0.00 H new ATOM 784 N ILE A 48 0.456 1.673 6.576 1.00 0.00 N ATOM 785 CA ILE A 48 1.107 1.974 7.845 1.00 0.00 C ATOM 786 C ILE A 48 1.696 0.715 8.473 1.00 0.00 C ATOM 787 O ILE A 48 0.995 -0.276 8.680 1.00 0.00 O ATOM 788 CB ILE A 48 0.126 2.620 8.842 1.00 0.00 C ATOM 789 CG1 ILE A 48 -0.458 3.907 8.254 1.00 0.00 C ATOM 790 CG2 ILE A 48 0.824 2.905 10.163 1.00 0.00 C ATOM 791 CD1 ILE A 48 -1.736 3.689 7.476 1.00 0.00 C ATOM 0 H ILE A 48 -0.384 1.100 6.658 1.00 0.00 H new ATOM 0 HA ILE A 48 1.909 2.679 7.628 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.691 1.923 9.028 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.650 4.612 9.063 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.283 4.367 7.600 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.118 3.361 10.857 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.197 1.972 10.586 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.658 3.586 9.994 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.093 4.643 7.088 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.545 3.009 6.646 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.492 3.258 8.132 1.00 0.00 H new ATOM 803 N THR A 49 2.990 0.761 8.776 1.00 0.00 N ATOM 804 CA THR A 49 3.674 -0.374 9.381 1.00 0.00 C ATOM 805 C THR A 49 3.671 -0.271 10.902 1.00 0.00 C ATOM 806 O THR A 49 4.263 0.644 11.474 1.00 0.00 O ATOM 807 CB THR A 49 5.129 -0.481 8.888 1.00 0.00 C ATOM 808 OG1 THR A 49 5.158 -0.543 7.458 1.00 0.00 O ATOM 809 CG2 THR A 49 5.808 -1.713 9.468 1.00 0.00 C ATOM 0 H THR A 49 3.585 1.573 8.612 1.00 0.00 H new ATOM 0 HA THR A 49 3.129 -1.269 9.079 1.00 0.00 H new ATOM 0 HB THR A 49 5.669 0.404 9.224 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.087 -0.609 7.152 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.835 -1.767 9.106 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.810 -1.649 10.556 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.266 -2.607 9.158 1.00 0.00 H new ATOM 817 N VAL A 50 3.001 -1.217 11.553 1.00 0.00 N ATOM 818 CA VAL A 50 2.923 -1.234 13.009 1.00 0.00 C ATOM 819 C VAL A 50 3.336 -2.591 13.566 1.00 0.00 C ATOM 820 O VAL A 50 2.822 -3.628 13.148 1.00 0.00 O ATOM 821 CB VAL A 50 1.501 -0.901 13.499 1.00 0.00 C ATOM 822 CG1 VAL A 50 1.442 -0.916 15.018 1.00 0.00 C ATOM 823 CG2 VAL A 50 1.050 0.445 12.952 1.00 0.00 C ATOM 0 H VAL A 50 2.505 -1.981 11.095 1.00 0.00 H new ATOM 0 HA VAL A 50 3.612 -0.471 13.372 1.00 0.00 H new ATOM 0 HB VAL A 50 0.819 -1.665 13.126 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.430 -0.679 15.345 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.719 -1.905 15.383 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.135 -0.175 15.416 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.043 0.664 13.308 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.733 1.223 13.293 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.050 0.414 11.862 1.00 0.00 H new ATOM 833 N ASN A 51 4.268 -2.577 14.514 1.00 0.00 N ATOM 834 CA ASN A 51 4.751 -3.808 15.129 1.00 0.00 C ATOM 835 C ASN A 51 5.266 -4.779 14.071 1.00 0.00 C ATOM 836 O ASN A 51 5.094 -5.992 14.191 1.00 0.00 O ATOM 837 CB ASN A 51 3.636 -4.467 15.944 1.00 0.00 C ATOM 838 CG ASN A 51 3.293 -3.683 17.195 1.00 0.00 C ATOM 839 OD1 ASN A 51 2.168 -3.209 17.356 1.00 0.00 O ATOM 840 ND2 ASN A 51 4.265 -3.542 18.090 1.00 0.00 N ATOM 0 H ASN A 51 4.703 -1.727 14.873 1.00 0.00 H new ATOM 0 HA ASN A 51 5.576 -3.553 15.794 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.745 -4.564 15.324 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.941 -5.476 16.223 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.094 -3.024 18.952 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.183 -3.952 17.915 1.00 0.00 H new ATOM 847 N GLY A 52 5.899 -4.237 13.036 1.00 0.00 N ATOM 848 CA GLY A 52 6.430 -5.069 11.972 1.00 0.00 C ATOM 849 C GLY A 52 5.340 -5.666 11.104 1.00 0.00 C ATOM 850 O GLY A 52 5.561 -6.658 10.409 1.00 0.00 O ATOM 0 H GLY A 52 6.054 -3.236 12.915 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.100 -4.475 11.351 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.025 -5.872 12.406 1.00 0.00 H new ATOM 854 N LYS A 53 4.157 -5.062 11.144 1.00 0.00 N ATOM 855 CA LYS A 53 3.027 -5.539 10.356 1.00 0.00 C ATOM 856 C LYS A 53 2.439 -4.413 9.511 1.00 0.00 C ATOM 857 O LYS A 53 1.987 -3.396 10.040 1.00 0.00 O ATOM 858 CB LYS A 53 1.948 -6.120 11.273 1.00 0.00 C ATOM 859 CG LYS A 53 2.425 -7.298 12.103 1.00 0.00 C ATOM 860 CD LYS A 53 1.259 -8.109 12.643 1.00 0.00 C ATOM 861 CE LYS A 53 1.672 -8.947 13.843 1.00 0.00 C ATOM 862 NZ LYS A 53 0.492 -9.492 14.571 1.00 0.00 N ATOM 0 H LYS A 53 3.956 -4.241 11.714 1.00 0.00 H new ATOM 0 HA LYS A 53 3.387 -6.321 9.688 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.591 -5.337 11.941 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.098 -6.434 10.667 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.064 -7.938 11.494 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.033 -6.937 12.932 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.449 -7.438 12.928 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.873 -8.760 11.859 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.306 -9.769 13.511 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.269 -8.339 14.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.815 -10.057 15.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.100 -8.707 14.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.064 -10.093 13.930 1.00 0.00 H new ATOM 876 N THR A 54 2.446 -4.601 8.195 1.00 0.00 N ATOM 877 CA THR A 54 1.913 -3.602 7.277 1.00 0.00 C ATOM 878 C THR A 54 0.388 -3.610 7.280 1.00 0.00 C ATOM 879 O THR A 54 -0.237 -4.656 7.103 1.00 0.00 O ATOM 880 CB THR A 54 2.414 -3.835 5.840 1.00 0.00 C ATOM 881 OG1 THR A 54 2.756 -5.214 5.658 1.00 0.00 O ATOM 882 CG2 THR A 54 3.624 -2.963 5.540 1.00 0.00 C ATOM 0 H THR A 54 2.815 -5.436 7.741 1.00 0.00 H new ATOM 0 HA THR A 54 2.269 -2.632 7.624 1.00 0.00 H new ATOM 0 HB THR A 54 1.613 -3.566 5.152 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.072 -5.354 4.741 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.960 -3.145 4.519 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.352 -1.913 5.651 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.428 -3.205 6.235 1.00 0.00 H new ATOM 890 N TYR A 55 -0.205 -2.439 7.481 1.00 0.00 N ATOM 891 CA TYR A 55 -1.657 -2.312 7.508 1.00 0.00 C ATOM 892 C TYR A 55 -2.143 -1.369 6.412 1.00 0.00 C ATOM 893 O TYR A 55 -1.444 -0.429 6.033 1.00 0.00 O ATOM 894 CB TYR A 55 -2.120 -1.805 8.875 1.00 0.00 C ATOM 895 CG TYR A 55 -1.873 -2.784 10.000 1.00 0.00 C ATOM 896 CD1 TYR A 55 -2.776 -3.806 10.268 1.00 0.00 C ATOM 897 CD2 TYR A 55 -0.739 -2.686 10.796 1.00 0.00 C ATOM 898 CE1 TYR A 55 -2.555 -4.703 11.296 1.00 0.00 C ATOM 899 CE2 TYR A 55 -0.509 -3.579 11.824 1.00 0.00 C ATOM 900 CZ TYR A 55 -1.420 -4.585 12.071 1.00 0.00 C ATOM 901 OH TYR A 55 -1.195 -5.476 13.095 1.00 0.00 O ATOM 0 H TYR A 55 0.298 -1.564 7.628 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.085 -3.298 7.329 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.607 -0.870 9.099 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.186 -1.580 8.828 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.665 -3.901 9.663 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.025 -1.898 10.608 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.267 -5.492 11.491 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.380 -3.490 12.431 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.351 -5.255 13.542 1.00 0.00 H new ATOM 911 N GLU A 56 -3.345 -1.629 5.906 1.00 0.00 N ATOM 912 CA GLU A 56 -3.924 -0.803 4.853 1.00 0.00 C ATOM 913 C GLU A 56 -5.228 -0.162 5.320 1.00 0.00 C ATOM 914 O GLU A 56 -6.040 -0.799 5.991 1.00 0.00 O ATOM 915 CB GLU A 56 -4.176 -1.642 3.598 1.00 0.00 C ATOM 916 CG GLU A 56 -2.957 -1.775 2.701 1.00 0.00 C ATOM 917 CD GLU A 56 -3.288 -2.386 1.353 1.00 0.00 C ATOM 918 OE1 GLU A 56 -4.263 -3.163 1.277 1.00 0.00 O ATOM 919 OE2 GLU A 56 -2.573 -2.086 0.374 1.00 0.00 O ATOM 0 H GLU A 56 -3.936 -2.404 6.208 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.214 -0.010 4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.507 -2.637 3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.989 -1.193 3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.512 -0.791 2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.208 -2.390 3.200 1.00 0.00 H new ATOM 926 N ARG A 57 -5.420 1.103 4.959 1.00 0.00 N ATOM 927 CA ARG A 57 -6.624 1.831 5.341 1.00 0.00 C ATOM 928 C ARG A 57 -6.976 2.886 4.296 1.00 0.00 C ATOM 929 O ARG A 57 -6.092 3.498 3.697 1.00 0.00 O ATOM 930 CB ARG A 57 -6.432 2.495 6.706 1.00 0.00 C ATOM 931 CG ARG A 57 -5.527 3.715 6.669 1.00 0.00 C ATOM 932 CD ARG A 57 -5.387 4.348 8.045 1.00 0.00 C ATOM 933 NE ARG A 57 -4.732 5.651 7.984 1.00 0.00 N ATOM 934 CZ ARG A 57 -4.827 6.567 8.941 1.00 0.00 C ATOM 935 NH1 ARG A 57 -5.547 6.323 10.027 1.00 0.00 N ATOM 936 NH2 ARG A 57 -4.201 7.730 8.813 1.00 0.00 N ATOM 0 H ARG A 57 -4.758 1.644 4.403 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.446 1.117 5.403 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.406 2.788 7.098 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.015 1.765 7.400 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.543 3.428 6.298 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.931 4.447 5.970 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.374 4.459 8.495 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.814 3.684 8.693 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.170 5.870 7.161 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.030 5.430 10.129 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.618 7.028 10.761 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.646 7.921 7.979 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.275 8.433 9.549 1.00 0.00 H new ATOM 950 N GLN A 58 -8.271 3.092 4.084 1.00 0.00 N ATOM 951 CA GLN A 58 -8.739 4.072 3.111 1.00 0.00 C ATOM 952 C GLN A 58 -9.022 5.413 3.781 1.00 0.00 C ATOM 953 O GLN A 58 -9.613 5.467 4.858 1.00 0.00 O ATOM 954 CB GLN A 58 -10.000 3.563 2.409 1.00 0.00 C ATOM 955 CG GLN A 58 -9.844 2.177 1.807 1.00 0.00 C ATOM 956 CD GLN A 58 -10.871 1.889 0.730 1.00 0.00 C ATOM 957 OE1 GLN A 58 -10.971 2.782 -0.247 1.00 0.00 O flip ATOM 958 NE2 GLN A 58 -11.568 0.875 0.775 1.00 0.00 N flip ATOM 0 H GLN A 58 -9.015 2.594 4.573 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.952 4.216 2.371 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.823 3.549 3.124 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.275 4.264 1.620 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.844 2.079 1.385 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -9.932 1.430 2.596 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -11.458 0.214 1.544 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.255 0.695 0.043 1.00 0.00 H new ATOM 967 N GLY A 59 -8.594 6.493 3.135 1.00 0.00 N ATOM 968 CA GLY A 59 -8.809 7.819 3.683 1.00 0.00 C ATOM 969 C GLY A 59 -9.290 8.808 2.640 1.00 0.00 C ATOM 970 O GLY A 59 -8.834 8.785 1.496 1.00 0.00 O ATOM 0 H GLY A 59 -8.102 6.473 2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.541 7.761 4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.880 8.182 4.122 1.00 0.00 H new ATOM 974 N PHE A 60 -10.216 9.677 3.032 1.00 0.00 N ATOM 975 CA PHE A 60 -10.761 10.676 2.121 1.00 0.00 C ATOM 976 C PHE A 60 -9.921 11.949 2.144 1.00 0.00 C ATOM 977 O PHE A 60 -9.446 12.374 3.197 1.00 0.00 O ATOM 978 CB PHE A 60 -12.209 11.001 2.494 1.00 0.00 C ATOM 979 CG PHE A 60 -13.073 9.783 2.661 1.00 0.00 C ATOM 980 CD1 PHE A 60 -13.692 9.201 1.567 1.00 0.00 C ATOM 981 CD2 PHE A 60 -13.265 9.221 3.913 1.00 0.00 C ATOM 982 CE1 PHE A 60 -14.487 8.080 1.717 1.00 0.00 C ATOM 983 CE2 PHE A 60 -14.058 8.100 4.069 1.00 0.00 C ATOM 984 CZ PHE A 60 -14.671 7.529 2.970 1.00 0.00 C ATOM 0 H PHE A 60 -10.604 9.709 3.975 1.00 0.00 H new ATOM 0 HA PHE A 60 -10.736 10.263 1.112 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.217 11.572 3.422 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.640 11.639 1.723 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -13.552 9.628 0.585 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -12.790 9.664 4.776 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.963 7.636 0.856 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -14.199 7.670 5.050 1.00 0.00 H new ATOM 0 HZ PHE A 60 -15.292 6.654 3.091 1.00 0.00 H new ATOM 994 N VAL A 61 -9.741 12.554 0.973 1.00 0.00 N ATOM 995 CA VAL A 61 -8.958 13.778 0.858 1.00 0.00 C ATOM 996 C VAL A 61 -9.393 14.596 -0.353 1.00 0.00 C ATOM 997 O VAL A 61 -9.954 14.074 -1.317 1.00 0.00 O ATOM 998 CB VAL A 61 -7.453 13.474 0.744 1.00 0.00 C ATOM 999 CG1 VAL A 61 -6.871 13.138 2.109 1.00 0.00 C ATOM 1000 CG2 VAL A 61 -7.211 12.340 -0.241 1.00 0.00 C ATOM 0 H VAL A 61 -10.127 12.216 0.092 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.136 14.354 1.766 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.948 14.364 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.807 12.926 2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.011 13.984 2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.378 12.263 2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.142 12.139 -0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.728 11.444 0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.590 12.624 -1.223 1.00 0.00 H new ATOM 1010 N PRO A 62 -9.128 15.910 -0.306 1.00 0.00 N ATOM 1011 CA PRO A 62 -9.483 16.829 -1.392 1.00 0.00 C ATOM 1012 C PRO A 62 -8.637 16.603 -2.641 1.00 0.00 C ATOM 1013 O PRO A 62 -7.432 16.851 -2.639 1.00 0.00 O ATOM 1014 CB PRO A 62 -9.198 18.209 -0.796 1.00 0.00 C ATOM 1015 CG PRO A 62 -8.168 17.965 0.252 1.00 0.00 C ATOM 1016 CD PRO A 62 -8.462 16.600 0.811 1.00 0.00 C ATOM 0 HA PRO A 62 -10.514 16.696 -1.719 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.833 18.900 -1.556 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.099 18.650 -0.370 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.164 18.006 -0.170 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.217 18.725 1.032 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.550 16.085 1.115 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.105 16.655 1.690 1.00 0.00 H new ATOM 1024 N ALA A 63 -9.277 16.133 -3.706 1.00 0.00 N ATOM 1025 CA ALA A 63 -8.584 15.877 -4.963 1.00 0.00 C ATOM 1026 C ALA A 63 -7.983 17.159 -5.530 1.00 0.00 C ATOM 1027 O ALA A 63 -6.983 17.124 -6.245 1.00 0.00 O ATOM 1028 CB ALA A 63 -9.533 15.246 -5.971 1.00 0.00 C ATOM 0 H ALA A 63 -10.275 15.922 -3.724 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.769 15.181 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.002 15.061 -6.904 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.910 14.303 -5.575 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.368 15.921 -6.157 1.00 0.00 H new ATOM 1034 N ALA A 64 -8.601 18.290 -5.205 1.00 0.00 N ATOM 1035 CA ALA A 64 -8.127 19.583 -5.682 1.00 0.00 C ATOM 1036 C ALA A 64 -6.758 19.915 -5.097 1.00 0.00 C ATOM 1037 O ALA A 64 -6.076 20.827 -5.566 1.00 0.00 O ATOM 1038 CB ALA A 64 -9.130 20.674 -5.334 1.00 0.00 C ATOM 0 H ALA A 64 -9.431 18.337 -4.614 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.027 19.529 -6.766 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.763 21.634 -5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.088 20.451 -5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.258 20.719 -4.252 1.00 0.00 H new ATOM 1044 N TYR A 65 -6.362 19.170 -4.071 1.00 0.00 N ATOM 1045 CA TYR A 65 -5.076 19.388 -3.420 1.00 0.00 C ATOM 1046 C TYR A 65 -4.064 18.328 -3.845 1.00 0.00 C ATOM 1047 O TYR A 65 -2.907 18.354 -3.427 1.00 0.00 O ATOM 1048 CB TYR A 65 -5.240 19.371 -1.900 1.00 0.00 C ATOM 1049 CG TYR A 65 -5.624 20.713 -1.317 1.00 0.00 C ATOM 1050 CD1 TYR A 65 -6.565 21.520 -1.944 1.00 0.00 C ATOM 1051 CD2 TYR A 65 -5.045 21.173 -0.141 1.00 0.00 C ATOM 1052 CE1 TYR A 65 -6.919 22.747 -1.416 1.00 0.00 C ATOM 1053 CE2 TYR A 65 -5.393 22.398 0.394 1.00 0.00 C ATOM 1054 CZ TYR A 65 -6.331 23.181 -0.247 1.00 0.00 C ATOM 1055 OH TYR A 65 -6.679 24.402 0.283 1.00 0.00 O ATOM 0 H TYR A 65 -6.913 18.410 -3.672 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.703 20.365 -3.727 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.001 18.637 -1.633 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.306 19.041 -1.446 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.028 21.183 -2.860 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.311 20.563 0.363 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.652 23.362 -1.916 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.933 22.741 1.309 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.174 24.556 1.109 1.00 0.00 H new ATOM 1065 N VAL A 66 -4.510 17.395 -4.681 1.00 0.00 N ATOM 1066 CA VAL A 66 -3.645 16.326 -5.165 1.00 0.00 C ATOM 1067 C VAL A 66 -3.824 16.111 -6.664 1.00 0.00 C ATOM 1068 O VAL A 66 -4.642 16.771 -7.304 1.00 0.00 O ATOM 1069 CB VAL A 66 -3.925 15.001 -4.431 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -3.817 15.192 -2.925 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -5.295 14.461 -4.810 1.00 0.00 C ATOM 0 H VAL A 66 -5.465 17.358 -5.037 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.619 16.634 -4.964 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.175 14.271 -4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.018 14.246 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.812 15.531 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.543 15.937 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.476 13.525 -4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.061 15.186 -4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.332 14.284 -5.885 1.00 0.00 H new ATOM 1081 N LYS A 67 -3.054 15.181 -7.219 1.00 0.00 N ATOM 1082 CA LYS A 67 -3.127 14.876 -8.642 1.00 0.00 C ATOM 1083 C LYS A 67 -2.799 13.409 -8.902 1.00 0.00 C ATOM 1084 O LYS A 67 -2.351 12.694 -8.006 1.00 0.00 O ATOM 1085 CB LYS A 67 -2.166 15.771 -9.427 1.00 0.00 C ATOM 1086 CG LYS A 67 -2.594 17.227 -9.478 1.00 0.00 C ATOM 1087 CD LYS A 67 -3.816 17.419 -10.360 1.00 0.00 C ATOM 1088 CE LYS A 67 -3.460 17.314 -11.835 1.00 0.00 C ATOM 1089 NZ LYS A 67 -3.036 18.625 -12.398 1.00 0.00 N ATOM 0 H LYS A 67 -2.372 14.625 -6.704 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.147 15.067 -8.977 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.175 15.708 -8.977 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.079 15.391 -10.445 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.813 17.578 -8.470 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.772 17.836 -9.856 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.567 16.669 -10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.261 18.394 -10.160 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.658 16.587 -11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.321 16.941 -12.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.802 18.511 -13.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.810 19.312 -12.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.199 18.969 -11.885 1.00 0.00 H new ATOM 1103 N LYS A 68 -3.025 12.966 -10.134 1.00 0.00 N ATOM 1104 CA LYS A 68 -2.751 11.585 -10.514 1.00 0.00 C ATOM 1105 C LYS A 68 -1.353 11.451 -11.109 1.00 0.00 C ATOM 1106 O LYS A 68 -0.919 12.294 -11.896 1.00 0.00 O ATOM 1107 CB LYS A 68 -3.794 11.094 -11.520 1.00 0.00 C ATOM 1108 CG LYS A 68 -3.721 9.602 -11.794 1.00 0.00 C ATOM 1109 CD LYS A 68 -5.036 9.070 -12.339 1.00 0.00 C ATOM 1110 CE LYS A 68 -5.178 9.354 -13.826 1.00 0.00 C ATOM 1111 NZ LYS A 68 -5.672 10.735 -14.082 1.00 0.00 N ATOM 0 H LYS A 68 -3.398 13.544 -10.887 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.805 10.970 -9.615 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.789 11.338 -11.147 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.664 11.634 -12.458 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.922 9.401 -12.508 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.467 9.074 -10.875 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.095 7.996 -12.165 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.866 9.526 -11.799 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.214 9.217 -14.316 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.866 8.634 -14.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.291 10.733 -14.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.207 11.071 -13.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.864 11.367 -14.252 1.00 0.00 H new ATOM 1125 N LEU A 69 -0.653 10.388 -10.730 1.00 0.00 N ATOM 1126 CA LEU A 69 0.697 10.143 -11.228 1.00 0.00 C ATOM 1127 C LEU A 69 0.702 10.022 -12.748 1.00 0.00 C ATOM 1128 O LEU A 69 1.501 10.666 -13.429 1.00 0.00 O ATOM 1129 CB LEU A 69 1.269 8.871 -10.601 1.00 0.00 C ATOM 1130 CG LEU A 69 2.783 8.852 -10.384 1.00 0.00 C ATOM 1131 CD1 LEU A 69 3.514 8.999 -11.709 1.00 0.00 C ATOM 1132 CD2 LEU A 69 3.197 9.954 -9.419 1.00 0.00 C ATOM 0 H LEU A 69 -0.997 9.682 -10.080 1.00 0.00 H new ATOM 0 HA LEU A 69 1.322 10.991 -10.948 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.782 8.714 -9.639 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.002 8.026 -11.235 1.00 0.00 H new ATOM 0 HG LEU A 69 3.056 7.892 -9.947 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.590 8.983 -11.535 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.241 8.175 -12.368 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.236 9.944 -12.175 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.277 9.926 -9.276 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.910 10.923 -9.828 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.700 9.804 -8.460 1.00 0.00 H new ATOM 1144 N ASP A 70 -0.195 9.195 -13.274 1.00 0.00 N ATOM 1145 CA ASP A 70 -0.296 8.992 -14.714 1.00 0.00 C ATOM 1146 C ASP A 70 -1.310 9.952 -15.329 1.00 0.00 C ATOM 1147 O ASP A 70 -2.065 9.580 -16.228 1.00 0.00 O ATOM 1148 CB ASP A 70 -0.692 7.547 -15.021 1.00 0.00 C ATOM 1149 CG ASP A 70 -0.128 7.060 -16.341 1.00 0.00 C ATOM 1150 OD1 ASP A 70 -0.634 7.493 -17.398 1.00 0.00 O ATOM 1151 OD2 ASP A 70 0.819 6.247 -16.318 1.00 0.00 O ATOM 0 H ASP A 70 -0.863 8.654 -12.724 1.00 0.00 H new ATOM 0 HA ASP A 70 0.681 9.194 -15.153 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.341 6.899 -14.218 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.779 7.468 -15.042 1.00 0.00 H new TER 1156 ASP A 70