USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 467 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 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 35 ASN : amide:sc= -1.55 K(o=-1.5,f=-2.8!) USER MOD Single : A 1 THR N :NH3+ -102:sc= 1.4 (180deg=-0.965) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.186 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 165:sc= -5.09! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -159:sc= 0.317 (180deg=0.165) USER MOD Single : A 11 GLN : amide:sc= -0.746 K(o=-0.75,f=-3.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.358 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.0508 USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= -0.0238 (180deg=-0.189) USER MOD Single : A 38 THR OG1 : rot 97:sc= -4.79! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.994 USER MOD Single : A 46 LYS NZ :NH3+ 164:sc=-0.00343 (180deg=-0.0629) USER MOD Single : A 49 THR OG1 : rot -64:sc= 1.2 USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= -0.0122 (180deg=-0.157) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 86:sc= 0 USER MOD Single : A 55 THR OG1 : rot 85:sc= 0.853 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 3.904 -12.562 -0.673 1.00 0.00 N ATOM 2 CA THR A 1 3.645 -11.951 -2.004 1.00 0.00 C ATOM 3 C THR A 1 4.272 -10.564 -2.106 1.00 0.00 C ATOM 4 O THR A 1 4.398 -9.853 -1.109 1.00 0.00 O ATOM 5 CB THR A 1 2.132 -11.861 -2.215 1.00 0.00 C ATOM 6 OG1 THR A 1 1.469 -12.909 -1.530 1.00 0.00 O ATOM 7 CG2 THR A 1 1.725 -11.932 -3.671 1.00 0.00 C ATOM 0 H1 THR A 1 4.670 -13.261 -0.755 1.00 0.00 H new ATOM 0 H2 THR A 1 4.183 -11.821 0.001 1.00 0.00 H new ATOM 0 H3 THR A 1 3.041 -13.032 -0.333 1.00 0.00 H new ATOM 0 HA THR A 1 4.096 -12.574 -2.776 1.00 0.00 H new ATOM 0 HB THR A 1 1.842 -10.886 -1.822 1.00 0.00 H new ATOM 0 HG1 THR A 1 0.503 -12.834 -1.675 1.00 0.00 H new ATOM 0 HG21 THR A 1 0.640 -11.863 -3.749 1.00 0.00 H new ATOM 0 HG22 THR A 1 2.182 -11.107 -4.217 1.00 0.00 H new ATOM 0 HG23 THR A 1 2.060 -12.878 -4.097 1.00 0.00 H new ATOM 17 N THR A 2 4.660 -10.188 -3.319 1.00 0.00 N ATOM 18 CA THR A 2 5.273 -8.888 -3.559 1.00 0.00 C ATOM 19 C THR A 2 4.258 -7.765 -3.387 1.00 0.00 C ATOM 20 O THR A 2 3.255 -7.704 -4.101 1.00 0.00 O ATOM 21 CB THR A 2 5.876 -8.836 -4.964 1.00 0.00 C ATOM 22 OG1 THR A 2 6.808 -9.887 -5.148 1.00 0.00 O ATOM 23 CG2 THR A 2 6.588 -7.532 -5.262 1.00 0.00 C ATOM 0 H THR A 2 4.560 -10.767 -4.153 1.00 0.00 H new ATOM 0 HA THR A 2 6.067 -8.749 -2.825 1.00 0.00 H new ATOM 0 HB THR A 2 5.031 -8.934 -5.646 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.182 -9.838 -6.053 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.992 -7.561 -6.274 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.883 -6.705 -5.176 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.401 -7.391 -4.550 1.00 0.00 H new ATOM 31 N TYR A 3 4.520 -6.880 -2.433 1.00 0.00 N ATOM 32 CA TYR A 3 3.632 -5.755 -2.159 1.00 0.00 C ATOM 33 C TYR A 3 4.170 -4.475 -2.791 1.00 0.00 C ATOM 34 O TYR A 3 5.351 -4.160 -2.664 1.00 0.00 O ATOM 35 CB TYR A 3 3.474 -5.572 -0.650 1.00 0.00 C ATOM 36 CG TYR A 3 2.174 -6.123 -0.116 1.00 0.00 C ATOM 37 CD1 TYR A 3 0.976 -5.457 -0.330 1.00 0.00 C ATOM 38 CD2 TYR A 3 2.146 -7.317 0.586 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.216 -5.965 0.145 1.00 0.00 C ATOM 40 CE2 TYR A 3 0.959 -7.836 1.062 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.220 -7.157 0.838 1.00 0.00 C ATOM 42 OH TYR A 3 -1.403 -7.672 1.308 1.00 0.00 O ATOM 0 H TYR A 3 5.344 -6.920 -1.833 1.00 0.00 H new ATOM 0 HA TYR A 3 2.657 -5.968 -2.597 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.305 -6.062 -0.142 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.536 -4.510 -0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 3 0.976 -4.526 -0.877 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.068 -7.850 0.764 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.140 -5.432 -0.025 1.00 0.00 H new ATOM 0 HE2 TYR A 3 0.954 -8.769 1.607 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.275 -8.612 1.555 1.00 0.00 H new ATOM 52 N LYS A 4 3.294 -3.742 -3.478 1.00 0.00 N ATOM 53 CA LYS A 4 3.692 -2.499 -4.133 1.00 0.00 C ATOM 54 C LYS A 4 2.975 -1.296 -3.525 1.00 0.00 C ATOM 55 O LYS A 4 1.772 -1.343 -3.270 1.00 0.00 O ATOM 56 CB LYS A 4 3.401 -2.575 -5.633 1.00 0.00 C ATOM 57 CG LYS A 4 3.862 -3.872 -6.278 1.00 0.00 C ATOM 58 CD LYS A 4 3.650 -3.848 -7.783 1.00 0.00 C ATOM 59 CE LYS A 4 4.319 -5.035 -8.461 1.00 0.00 C ATOM 60 NZ LYS A 4 3.333 -6.089 -8.827 1.00 0.00 N ATOM 0 H LYS A 4 2.311 -3.986 -3.594 1.00 0.00 H new ATOM 0 HA LYS A 4 4.763 -2.369 -3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.329 -2.461 -5.793 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.889 -1.738 -6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.918 -4.033 -6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.315 -4.710 -5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.582 -3.858 -8.001 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.050 -2.921 -8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.839 -4.696 -9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.072 -5.457 -7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.826 -6.881 -9.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.855 -6.430 -7.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.629 -5.693 -9.482 1.00 0.00 H new ATOM 74 N LEU A 5 3.722 -0.220 -3.301 1.00 0.00 N ATOM 75 CA LEU A 5 3.162 0.998 -2.727 1.00 0.00 C ATOM 76 C LEU A 5 3.665 2.231 -3.469 1.00 0.00 C ATOM 77 O LEU A 5 4.846 2.331 -3.804 1.00 0.00 O ATOM 78 CB LEU A 5 3.521 1.104 -1.242 1.00 0.00 C ATOM 79 CG LEU A 5 3.116 2.416 -0.567 1.00 0.00 C ATOM 80 CD1 LEU A 5 1.607 2.478 -0.379 1.00 0.00 C ATOM 81 CD2 LEU A 5 3.830 2.568 0.769 1.00 0.00 C ATOM 0 H LEU A 5 4.719 -0.167 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 5 2.078 0.949 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.047 0.279 -0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.598 0.976 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 5 3.413 3.243 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.339 3.418 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.116 2.415 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.284 1.645 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.531 3.506 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.563 1.736 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.908 2.570 0.607 1.00 0.00 H new ATOM 93 N ILE A 6 2.763 3.170 -3.723 1.00 0.00 N ATOM 94 CA ILE A 6 3.112 4.401 -4.421 1.00 0.00 C ATOM 95 C ILE A 6 2.508 5.614 -3.725 1.00 0.00 C ATOM 96 O ILE A 6 1.303 5.664 -3.477 1.00 0.00 O ATOM 97 CB ILE A 6 2.635 4.371 -5.887 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.142 4.035 -5.954 1.00 0.00 C ATOM 99 CG2 ILE A 6 3.449 3.367 -6.690 1.00 0.00 C ATOM 100 CD1 ILE A 6 0.355 4.961 -6.855 1.00 0.00 C ATOM 0 H ILE A 6 1.781 3.102 -3.455 1.00 0.00 H new ATOM 0 HA ILE A 6 4.199 4.479 -4.404 1.00 0.00 H new ATOM 0 HB ILE A 6 2.785 5.359 -6.323 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.024 3.010 -6.307 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.723 4.076 -4.949 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.100 3.358 -7.722 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.502 3.649 -6.665 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.330 2.373 -6.258 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.694 4.664 -6.855 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.443 5.985 -6.491 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.748 4.902 -7.870 1.00 0.00 H new ATOM 112 N LEU A 7 3.350 6.594 -3.409 1.00 0.00 N ATOM 113 CA LEU A 7 2.893 7.805 -2.741 1.00 0.00 C ATOM 114 C LEU A 7 3.002 9.016 -3.658 1.00 0.00 C ATOM 115 O LEU A 7 4.022 9.220 -4.315 1.00 0.00 O ATOM 116 CB LEU A 7 3.693 8.056 -1.461 1.00 0.00 C ATOM 117 CG LEU A 7 3.442 7.056 -0.328 1.00 0.00 C ATOM 118 CD1 LEU A 7 4.630 6.118 -0.165 1.00 0.00 C ATOM 119 CD2 LEU A 7 3.152 7.787 0.976 1.00 0.00 C ATOM 0 H LEU A 7 4.351 6.572 -3.605 1.00 0.00 H new ATOM 0 HA LEU A 7 1.845 7.657 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.755 8.043 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.462 9.057 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 7 2.569 6.457 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.431 5.416 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.788 5.567 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.522 6.698 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.976 7.060 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.005 8.413 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.267 8.412 0.854 1.00 0.00 H new ATOM 131 N ASN A 8 1.944 9.820 -3.694 1.00 0.00 N ATOM 132 CA ASN A 8 1.925 11.017 -4.527 1.00 0.00 C ATOM 133 C ASN A 8 1.742 12.269 -3.677 1.00 0.00 C ATOM 134 O ASN A 8 0.623 12.608 -3.287 1.00 0.00 O ATOM 135 CB ASN A 8 0.811 10.926 -5.572 1.00 0.00 C ATOM 136 CG ASN A 8 0.744 9.563 -6.235 1.00 0.00 C ATOM 137 OD1 ASN A 8 1.700 9.126 -6.875 1.00 0.00 O ATOM 138 ND2 ASN A 8 -0.385 8.886 -6.080 1.00 0.00 N ATOM 0 H ASN A 8 1.091 9.665 -3.157 1.00 0.00 H new ATOM 0 HA ASN A 8 2.885 11.085 -5.039 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.146 11.143 -5.097 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.969 11.689 -6.334 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.488 7.962 -6.500 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.151 9.289 -5.541 1.00 0.00 H new ATOM 145 N LEU A 9 2.844 12.952 -3.391 1.00 0.00 N ATOM 146 CA LEU A 9 2.802 14.171 -2.585 1.00 0.00 C ATOM 147 C LEU A 9 2.438 15.371 -3.440 1.00 0.00 C ATOM 148 O LEU A 9 2.216 15.245 -4.645 1.00 0.00 O ATOM 149 CB LEU A 9 4.146 14.403 -1.902 1.00 0.00 C ATOM 150 CG LEU A 9 4.433 13.518 -0.691 1.00 0.00 C ATOM 151 CD1 LEU A 9 5.841 13.749 -0.175 1.00 0.00 C ATOM 152 CD2 LEU A 9 3.412 13.775 0.408 1.00 0.00 C ATOM 0 H LEU A 9 3.777 12.685 -3.704 1.00 0.00 H new ATOM 0 HA LEU A 9 2.035 14.046 -1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.937 14.251 -2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.198 15.445 -1.588 1.00 0.00 H new ATOM 0 HG LEU A 9 4.353 12.476 -1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.022 13.108 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.559 13.513 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.954 14.793 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.630 13.137 1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.461 14.820 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.412 13.552 0.035 1.00 0.00 H new ATOM 164 N LYS A 10 2.392 16.546 -2.817 1.00 0.00 N ATOM 165 CA LYS A 10 2.067 17.775 -3.523 1.00 0.00 C ATOM 166 C LYS A 10 3.233 18.210 -4.407 1.00 0.00 C ATOM 167 O LYS A 10 3.039 18.946 -5.383 1.00 0.00 O ATOM 168 CB LYS A 10 1.723 18.878 -2.527 1.00 0.00 C ATOM 169 CG LYS A 10 1.347 20.195 -3.183 1.00 0.00 C ATOM 170 CD LYS A 10 0.025 20.103 -3.919 1.00 0.00 C ATOM 171 CE LYS A 10 -0.051 21.094 -5.065 1.00 0.00 C ATOM 172 NZ LYS A 10 0.523 20.546 -6.319 1.00 0.00 N ATOM 0 H LYS A 10 2.577 16.669 -1.822 1.00 0.00 H new ATOM 0 HA LYS A 10 1.201 17.590 -4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.896 18.545 -1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.576 19.040 -1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.286 20.974 -2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.131 20.490 -3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.108 19.092 -4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.793 20.289 -3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.091 21.372 -5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.481 22.005 -4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.779 21.328 -6.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.372 19.988 -6.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.179 19.937 -6.785 1.00 0.00 H new ATOM 186 N GLN A 11 4.436 17.777 -4.059 1.00 0.00 N ATOM 187 CA GLN A 11 5.629 18.133 -4.822 1.00 0.00 C ATOM 188 C GLN A 11 6.747 17.121 -4.587 1.00 0.00 C ATOM 189 O GLN A 11 7.896 17.493 -4.360 1.00 0.00 O ATOM 190 CB GLN A 11 6.102 19.534 -4.439 1.00 0.00 C ATOM 191 CG GLN A 11 6.147 19.774 -2.937 1.00 0.00 C ATOM 192 CD GLN A 11 7.563 19.892 -2.404 1.00 0.00 C ATOM 193 OE1 GLN A 11 8.528 19.704 -3.135 1.00 0.00 O ATOM 194 NE2 GLN A 11 7.685 20.196 -1.115 1.00 0.00 N ATOM 0 H GLN A 11 4.614 17.178 -3.253 1.00 0.00 H new ATOM 0 HA GLN A 11 5.372 18.121 -5.881 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.096 19.699 -4.854 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.440 20.269 -4.896 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.598 20.686 -2.702 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.638 18.956 -2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.852 20.344 -0.545 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.611 20.281 -0.697 1.00 0.00 H new ATOM 203 N ALA A 12 6.400 15.833 -4.638 1.00 0.00 N ATOM 204 CA ALA A 12 7.382 14.775 -4.430 1.00 0.00 C ATOM 205 C ALA A 12 6.772 13.398 -4.694 1.00 0.00 C ATOM 206 O ALA A 12 6.106 12.829 -3.833 1.00 0.00 O ATOM 207 CB ALA A 12 7.939 14.845 -3.019 1.00 0.00 C ATOM 0 H ALA A 12 5.452 15.502 -4.820 1.00 0.00 H new ATOM 0 HA ALA A 12 8.197 14.924 -5.139 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.671 14.050 -2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.419 15.812 -2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.128 14.724 -2.301 1.00 0.00 H new ATOM 213 N LYS A 13 7.010 12.873 -5.890 1.00 0.00 N ATOM 214 CA LYS A 13 6.488 11.563 -6.264 1.00 0.00 C ATOM 215 C LYS A 13 7.415 10.449 -5.784 1.00 0.00 C ATOM 216 O LYS A 13 8.564 10.356 -6.225 1.00 0.00 O ATOM 217 CB LYS A 13 6.312 11.482 -7.783 1.00 0.00 C ATOM 218 CG LYS A 13 5.188 12.359 -8.310 1.00 0.00 C ATOM 219 CD LYS A 13 5.269 12.511 -9.822 1.00 0.00 C ATOM 220 CE LYS A 13 4.767 11.269 -10.535 1.00 0.00 C ATOM 221 NZ LYS A 13 5.501 11.017 -11.803 1.00 0.00 N ATOM 0 H LYS A 13 7.560 13.332 -6.616 1.00 0.00 H new ATOM 0 HA LYS A 13 5.518 11.431 -5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.245 11.772 -8.265 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.117 10.447 -8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.226 11.925 -8.037 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.239 13.341 -7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.680 13.374 -10.134 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.301 12.707 -10.114 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.873 10.406 -9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.704 11.379 -10.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.126 10.160 -12.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.379 11.829 -12.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.512 10.886 -11.599 1.00 0.00 H new ATOM 235 N GLU A 14 6.913 9.615 -4.883 1.00 0.00 N ATOM 236 CA GLU A 14 7.702 8.514 -4.347 1.00 0.00 C ATOM 237 C GLU A 14 6.971 7.186 -4.530 1.00 0.00 C ATOM 238 O GLU A 14 5.807 7.051 -4.152 1.00 0.00 O ATOM 239 CB GLU A 14 7.997 8.746 -2.863 1.00 0.00 C ATOM 240 CG GLU A 14 8.873 7.670 -2.241 1.00 0.00 C ATOM 241 CD GLU A 14 10.248 7.604 -2.858 1.00 0.00 C ATOM 242 OE1 GLU A 14 10.403 6.961 -3.918 1.00 0.00 O ATOM 243 OE2 GLU A 14 11.185 8.214 -2.289 1.00 0.00 O ATOM 0 H GLU A 14 5.966 9.679 -4.509 1.00 0.00 H new ATOM 0 HA GLU A 14 8.643 8.471 -4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.485 9.713 -2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.055 8.796 -2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.969 7.859 -1.172 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.384 6.702 -2.351 1.00 0.00 H new ATOM 250 N GLU A 15 7.662 6.213 -5.112 1.00 0.00 N ATOM 251 CA GLU A 15 7.078 4.896 -5.348 1.00 0.00 C ATOM 252 C GLU A 15 8.124 3.798 -5.173 1.00 0.00 C ATOM 253 O GLU A 15 9.284 3.968 -5.547 1.00 0.00 O ATOM 254 CB GLU A 15 6.479 4.826 -6.752 1.00 0.00 C ATOM 255 CG GLU A 15 5.502 5.951 -7.056 1.00 0.00 C ATOM 256 CD GLU A 15 6.164 7.124 -7.753 1.00 0.00 C ATOM 257 OE1 GLU A 15 6.353 7.051 -8.986 1.00 0.00 O ATOM 258 OE2 GLU A 15 6.489 8.115 -7.067 1.00 0.00 O ATOM 0 H GLU A 15 8.627 6.310 -5.429 1.00 0.00 H new ATOM 0 HA GLU A 15 6.287 4.740 -4.615 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.287 4.850 -7.484 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.968 3.871 -6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.696 5.568 -7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.048 6.294 -6.126 1.00 0.00 H new ATOM 265 N ALA A 16 7.705 2.672 -4.599 1.00 0.00 N ATOM 266 CA ALA A 16 8.611 1.551 -4.376 1.00 0.00 C ATOM 267 C ALA A 16 7.848 0.231 -4.304 1.00 0.00 C ATOM 268 O ALA A 16 6.623 0.204 -4.412 1.00 0.00 O ATOM 269 CB ALA A 16 9.413 1.769 -3.102 1.00 0.00 C ATOM 0 H ALA A 16 6.749 2.513 -4.282 1.00 0.00 H new ATOM 0 HA ALA A 16 9.297 1.497 -5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.086 0.925 -2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.996 2.686 -3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.733 1.852 -2.254 1.00 0.00 H new ATOM 275 N ILE A 17 8.586 -0.859 -4.117 1.00 0.00 N ATOM 276 CA ILE A 17 7.986 -2.187 -4.028 1.00 0.00 C ATOM 277 C ILE A 17 8.628 -3.001 -2.910 1.00 0.00 C ATOM 278 O ILE A 17 9.852 -3.088 -2.816 1.00 0.00 O ATOM 279 CB ILE A 17 8.122 -2.958 -5.355 1.00 0.00 C ATOM 280 CG1 ILE A 17 7.692 -2.076 -6.531 1.00 0.00 C ATOM 281 CG2 ILE A 17 7.298 -4.236 -5.313 1.00 0.00 C ATOM 282 CD1 ILE A 17 6.231 -1.681 -6.492 1.00 0.00 C ATOM 0 H ILE A 17 9.602 -0.849 -4.024 1.00 0.00 H new ATOM 0 HA ILE A 17 6.928 -2.044 -3.811 1.00 0.00 H new ATOM 0 HB ILE A 17 9.168 -3.229 -5.494 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.303 -1.174 -6.540 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.892 -2.605 -7.463 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.405 -4.769 -6.258 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.649 -4.869 -4.498 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.249 -3.987 -5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.999 -1.058 -7.356 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.611 -2.577 -6.515 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.029 -1.123 -5.577 1.00 0.00 H new ATOM 294 N LYS A 18 7.795 -3.594 -2.060 1.00 0.00 N ATOM 295 CA LYS A 18 8.284 -4.400 -0.946 1.00 0.00 C ATOM 296 C LYS A 18 7.527 -5.723 -0.859 1.00 0.00 C ATOM 297 O LYS A 18 6.305 -5.756 -0.998 1.00 0.00 O ATOM 298 CB LYS A 18 8.149 -3.643 0.386 1.00 0.00 C ATOM 299 CG LYS A 18 7.983 -2.134 0.244 1.00 0.00 C ATOM 300 CD LYS A 18 9.278 -1.395 0.538 1.00 0.00 C ATOM 301 CE LYS A 18 10.351 -1.725 -0.486 1.00 0.00 C ATOM 302 NZ LYS A 18 11.672 -1.148 -0.113 1.00 0.00 N ATOM 0 H LYS A 18 6.779 -3.532 -2.121 1.00 0.00 H new ATOM 0 HA LYS A 18 9.339 -4.604 -1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.292 -4.040 0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.032 -3.843 0.994 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.651 -1.898 -0.767 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.204 -1.788 0.924 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.093 -0.321 0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.631 -1.659 1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.441 -2.807 -0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.051 -1.343 -1.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.376 -1.396 -0.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.593 -0.113 -0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.971 -1.531 0.806 1.00 0.00 H new ATOM 316 N GLU A 19 8.258 -6.808 -0.624 1.00 0.00 N ATOM 317 CA GLU A 19 7.651 -8.129 -0.513 1.00 0.00 C ATOM 318 C GLU A 19 7.249 -8.423 0.931 1.00 0.00 C ATOM 319 O GLU A 19 7.935 -8.016 1.868 1.00 0.00 O ATOM 320 CB GLU A 19 8.618 -9.204 -1.014 1.00 0.00 C ATOM 321 CG GLU A 19 7.925 -10.393 -1.656 1.00 0.00 C ATOM 322 CD GLU A 19 8.830 -11.606 -1.765 1.00 0.00 C ATOM 323 OE1 GLU A 19 9.015 -12.302 -0.745 1.00 0.00 O ATOM 324 OE2 GLU A 19 9.354 -11.857 -2.869 1.00 0.00 O ATOM 0 H GLU A 19 9.271 -6.798 -0.507 1.00 0.00 H new ATOM 0 HA GLU A 19 6.754 -8.142 -1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.301 -8.758 -1.737 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.223 -9.555 -0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.043 -10.654 -1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.577 -10.113 -2.650 1.00 0.00 H new ATOM 331 N LEU A 20 6.135 -9.129 1.100 1.00 0.00 N ATOM 332 CA LEU A 20 5.644 -9.476 2.430 1.00 0.00 C ATOM 333 C LEU A 20 4.920 -10.821 2.404 1.00 0.00 C ATOM 334 O LEU A 20 5.005 -11.561 1.426 1.00 0.00 O ATOM 335 CB LEU A 20 4.709 -8.379 2.955 1.00 0.00 C ATOM 336 CG LEU A 20 5.258 -7.559 4.126 1.00 0.00 C ATOM 337 CD1 LEU A 20 5.721 -8.471 5.253 1.00 0.00 C ATOM 338 CD2 LEU A 20 6.395 -6.661 3.662 1.00 0.00 C ATOM 0 H LEU A 20 5.556 -9.472 0.334 1.00 0.00 H new ATOM 0 HA LEU A 20 6.499 -9.559 3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.475 -7.700 2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.771 -8.841 3.264 1.00 0.00 H new ATOM 0 HG LEU A 20 4.455 -6.928 4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.107 -7.867 6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.881 -9.069 5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.507 -9.131 4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.773 -6.086 4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.198 -7.273 3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.030 -5.979 2.894 1.00 0.00 H new ATOM 350 N VAL A 21 4.207 -11.130 3.483 1.00 0.00 N ATOM 351 CA VAL A 21 3.468 -12.386 3.577 1.00 0.00 C ATOM 352 C VAL A 21 1.964 -12.150 3.482 1.00 0.00 C ATOM 353 O VAL A 21 1.260 -12.846 2.752 1.00 0.00 O ATOM 354 CB VAL A 21 3.779 -13.128 4.892 1.00 0.00 C ATOM 355 CG1 VAL A 21 5.244 -13.533 4.944 1.00 0.00 C ATOM 356 CG2 VAL A 21 3.413 -12.274 6.095 1.00 0.00 C ATOM 0 H VAL A 21 4.125 -10.530 4.303 1.00 0.00 H new ATOM 0 HA VAL A 21 3.789 -13.003 2.738 1.00 0.00 H new ATOM 0 HB VAL A 21 3.172 -14.033 4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.444 -14.055 5.880 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.469 -14.192 4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.870 -12.643 4.885 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.641 -12.819 7.011 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.986 -11.347 6.071 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.348 -12.043 6.067 1.00 0.00 H new ATOM 366 N ASP A 22 1.480 -11.157 4.222 1.00 0.00 N ATOM 367 CA ASP A 22 0.061 -10.822 4.221 1.00 0.00 C ATOM 368 C ASP A 22 -0.131 -9.311 4.136 1.00 0.00 C ATOM 369 O ASP A 22 0.840 -8.556 4.099 1.00 0.00 O ATOM 370 CB ASP A 22 -0.617 -11.366 5.478 1.00 0.00 C ATOM 371 CG ASP A 22 -2.057 -11.771 5.229 1.00 0.00 C ATOM 372 OD1 ASP A 22 -2.906 -10.873 5.051 1.00 0.00 O ATOM 373 OD2 ASP A 22 -2.335 -12.989 5.213 1.00 0.00 O ATOM 0 H ASP A 22 2.051 -10.570 4.830 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.399 -11.283 3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.059 -12.227 5.845 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.586 -10.609 6.261 1.00 0.00 H new ATOM 378 N ALA A 23 -1.387 -8.876 4.104 1.00 0.00 N ATOM 379 CA ALA A 23 -1.687 -7.450 4.023 1.00 0.00 C ATOM 380 C ALA A 23 -1.634 -6.800 5.395 1.00 0.00 C ATOM 381 O ALA A 23 -1.131 -5.687 5.539 1.00 0.00 O ATOM 382 CB ALA A 23 -3.047 -7.223 3.382 1.00 0.00 C ATOM 0 H ALA A 23 -2.206 -9.483 4.133 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.925 -6.984 3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.251 -6.154 3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.049 -7.641 2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.817 -7.711 3.979 1.00 0.00 H new ATOM 388 N ALA A 24 -2.146 -7.496 6.406 1.00 0.00 N ATOM 389 CA ALA A 24 -2.134 -6.970 7.766 1.00 0.00 C ATOM 390 C ALA A 24 -0.740 -6.466 8.117 1.00 0.00 C ATOM 391 O ALA A 24 -0.569 -5.339 8.585 1.00 0.00 O ATOM 392 CB ALA A 24 -2.583 -8.040 8.755 1.00 0.00 C ATOM 0 H ALA A 24 -2.571 -8.418 6.310 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.833 -6.135 7.827 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.568 -7.631 9.765 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.595 -8.362 8.508 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.907 -8.893 8.699 1.00 0.00 H new ATOM 398 N THR A 25 0.254 -7.305 7.855 1.00 0.00 N ATOM 399 CA THR A 25 1.635 -6.943 8.113 1.00 0.00 C ATOM 400 C THR A 25 2.086 -5.896 7.106 1.00 0.00 C ATOM 401 O THR A 25 2.759 -4.929 7.462 1.00 0.00 O ATOM 402 CB THR A 25 2.539 -8.180 8.047 1.00 0.00 C ATOM 403 OG1 THR A 25 2.512 -8.883 9.277 1.00 0.00 O ATOM 404 CG2 THR A 25 3.990 -7.869 7.728 1.00 0.00 C ATOM 0 H THR A 25 0.126 -8.239 7.465 1.00 0.00 H new ATOM 0 HA THR A 25 1.710 -6.525 9.117 1.00 0.00 H new ATOM 0 HB THR A 25 2.135 -8.780 7.231 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.093 -9.670 9.217 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.563 -8.796 7.699 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.051 -7.374 6.759 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.399 -7.213 8.497 1.00 0.00 H new ATOM 412 N ALA A 26 1.694 -6.081 5.846 1.00 0.00 N ATOM 413 CA ALA A 26 2.049 -5.129 4.808 1.00 0.00 C ATOM 414 C ALA A 26 1.650 -3.734 5.258 1.00 0.00 C ATOM 415 O ALA A 26 2.468 -2.818 5.304 1.00 0.00 O ATOM 416 CB ALA A 26 1.366 -5.488 3.495 1.00 0.00 C ATOM 0 H ALA A 26 1.137 -6.874 5.527 1.00 0.00 H new ATOM 0 HA ALA A 26 3.126 -5.160 4.640 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.644 -4.763 2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.679 -6.484 3.182 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.285 -5.474 3.632 1.00 0.00 H new ATOM 422 N GLU A 27 0.383 -3.602 5.627 1.00 0.00 N ATOM 423 CA GLU A 27 -0.159 -2.346 6.115 1.00 0.00 C ATOM 424 C GLU A 27 0.719 -1.789 7.226 1.00 0.00 C ATOM 425 O GLU A 27 0.885 -0.578 7.353 1.00 0.00 O ATOM 426 CB GLU A 27 -1.572 -2.573 6.647 1.00 0.00 C ATOM 427 CG GLU A 27 -2.231 -1.314 7.188 1.00 0.00 C ATOM 428 CD GLU A 27 -3.738 -1.435 7.275 1.00 0.00 C ATOM 429 OE1 GLU A 27 -4.221 -2.327 8.002 1.00 0.00 O ATOM 430 OE2 GLU A 27 -4.437 -0.636 6.616 1.00 0.00 O ATOM 0 H GLU A 27 -0.295 -4.363 5.596 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.186 -1.630 5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.190 -2.981 5.848 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.537 -3.323 7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.830 -1.096 8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.975 -0.470 6.547 1.00 0.00 H new ATOM 437 N LYS A 28 1.286 -2.684 8.028 1.00 0.00 N ATOM 438 CA LYS A 28 2.152 -2.274 9.125 1.00 0.00 C ATOM 439 C LYS A 28 3.436 -1.666 8.579 1.00 0.00 C ATOM 440 O LYS A 28 3.864 -0.591 9.006 1.00 0.00 O ATOM 441 CB LYS A 28 2.478 -3.468 10.025 1.00 0.00 C ATOM 442 CG LYS A 28 3.001 -3.071 11.396 1.00 0.00 C ATOM 443 CD LYS A 28 4.234 -3.877 11.780 1.00 0.00 C ATOM 444 CE LYS A 28 5.509 -3.073 11.581 1.00 0.00 C ATOM 445 NZ LYS A 28 6.713 -3.945 11.533 1.00 0.00 N ATOM 0 H LYS A 28 1.162 -3.693 7.939 1.00 0.00 H new ATOM 0 HA LYS A 28 1.629 -1.524 9.718 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.581 -4.075 10.149 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.220 -4.094 9.529 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.244 -2.009 11.400 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.220 -3.222 12.142 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.157 -4.187 12.822 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.278 -4.785 11.179 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.437 -2.502 10.655 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.614 -2.353 12.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.561 -3.359 11.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.796 -4.471 12.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.625 -4.616 10.743 1.00 0.00 H new ATOM 459 N TYR A 29 4.042 -2.361 7.625 1.00 0.00 N ATOM 460 CA TYR A 29 5.274 -1.905 7.000 1.00 0.00 C ATOM 461 C TYR A 29 5.002 -0.764 6.024 1.00 0.00 C ATOM 462 O TYR A 29 5.521 0.340 6.176 1.00 0.00 O ATOM 463 CB TYR A 29 5.942 -3.066 6.258 1.00 0.00 C ATOM 464 CG TYR A 29 7.224 -2.681 5.555 1.00 0.00 C ATOM 465 CD1 TYR A 29 7.194 -1.923 4.392 1.00 0.00 C ATOM 466 CD2 TYR A 29 8.460 -3.074 6.052 1.00 0.00 C ATOM 467 CE1 TYR A 29 8.358 -1.566 3.743 1.00 0.00 C ATOM 468 CE2 TYR A 29 9.630 -2.719 5.409 1.00 0.00 C ATOM 469 CZ TYR A 29 9.576 -1.967 4.255 1.00 0.00 C ATOM 470 OH TYR A 29 10.740 -1.613 3.611 1.00 0.00 O ATOM 0 H TYR A 29 3.695 -3.250 7.266 1.00 0.00 H new ATOM 0 HA TYR A 29 5.938 -1.540 7.783 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.153 -3.866 6.968 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.242 -3.467 5.525 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.243 -1.607 3.989 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.507 -3.666 6.954 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.317 -0.976 2.839 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.584 -3.030 5.809 1.00 0.00 H new ATOM 0 HH TYR A 29 11.508 -1.974 4.102 1.00 0.00 H new ATOM 480 N PHE A 30 4.194 -1.057 5.012 1.00 0.00 N ATOM 481 CA PHE A 30 3.846 -0.085 3.984 1.00 0.00 C ATOM 482 C PHE A 30 3.392 1.244 4.586 1.00 0.00 C ATOM 483 O PHE A 30 3.822 2.309 4.142 1.00 0.00 O ATOM 484 CB PHE A 30 2.755 -0.665 3.072 1.00 0.00 C ATOM 485 CG PHE A 30 3.238 -1.097 1.703 1.00 0.00 C ATOM 486 CD1 PHE A 30 4.512 -0.775 1.248 1.00 0.00 C ATOM 487 CD2 PHE A 30 2.407 -1.837 0.872 1.00 0.00 C ATOM 488 CE1 PHE A 30 4.943 -1.182 0.000 1.00 0.00 C ATOM 489 CE2 PHE A 30 2.835 -2.243 -0.376 1.00 0.00 C ATOM 490 CZ PHE A 30 4.104 -1.915 -0.813 1.00 0.00 C ATOM 0 H PHE A 30 3.763 -1.972 4.881 1.00 0.00 H new ATOM 0 HA PHE A 30 4.741 0.119 3.395 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.302 -1.523 3.570 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.971 0.081 2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.173 -0.199 1.879 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.414 -2.098 1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.936 -0.926 -0.339 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.177 -2.818 -1.011 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.438 -2.232 -1.790 1.00 0.00 H new ATOM 500 N LYS A 31 2.531 1.185 5.597 1.00 0.00 N ATOM 501 CA LYS A 31 2.044 2.402 6.238 1.00 0.00 C ATOM 502 C LYS A 31 3.172 3.120 6.972 1.00 0.00 C ATOM 503 O LYS A 31 3.275 4.346 6.919 1.00 0.00 O ATOM 504 CB LYS A 31 0.909 2.083 7.213 1.00 0.00 C ATOM 505 CG LYS A 31 0.155 3.314 7.689 1.00 0.00 C ATOM 506 CD LYS A 31 0.935 4.070 8.752 1.00 0.00 C ATOM 507 CE LYS A 31 0.013 4.666 9.804 1.00 0.00 C ATOM 508 NZ LYS A 31 0.514 4.415 11.186 1.00 0.00 N ATOM 0 H LYS A 31 2.160 0.319 5.987 1.00 0.00 H new ATOM 0 HA LYS A 31 1.663 3.060 5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.208 1.401 6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.319 1.561 8.078 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.040 3.972 6.842 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.814 3.016 8.090 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.646 3.397 9.230 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.515 4.865 8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.079 5.740 9.640 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.985 4.240 9.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.141 4.836 11.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.578 3.390 11.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.455 4.843 11.297 1.00 0.00 H new ATOM 522 N LEU A 32 4.020 2.352 7.650 1.00 0.00 N ATOM 523 CA LEU A 32 5.142 2.926 8.385 1.00 0.00 C ATOM 524 C LEU A 32 6.089 3.657 7.437 1.00 0.00 C ATOM 525 O LEU A 32 6.746 4.623 7.822 1.00 0.00 O ATOM 526 CB LEU A 32 5.898 1.836 9.146 1.00 0.00 C ATOM 527 CG LEU A 32 5.847 1.962 10.672 1.00 0.00 C ATOM 528 CD1 LEU A 32 4.874 0.951 11.257 1.00 0.00 C ATOM 529 CD2 LEU A 32 7.235 1.779 11.270 1.00 0.00 C ATOM 0 H LEU A 32 3.952 1.336 7.706 1.00 0.00 H new ATOM 0 HA LEU A 32 4.746 3.644 9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.491 0.866 8.862 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.941 1.849 8.829 1.00 0.00 H new ATOM 0 HG LEU A 32 5.495 2.962 10.924 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.850 1.054 12.342 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.877 1.130 10.854 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.196 -0.057 10.996 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.179 1.872 12.355 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.616 0.792 11.009 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.905 2.542 10.875 1.00 0.00 H new ATOM 541 N TYR A 33 6.154 3.189 6.195 1.00 0.00 N ATOM 542 CA TYR A 33 7.015 3.795 5.190 1.00 0.00 C ATOM 543 C TYR A 33 6.411 5.100 4.685 1.00 0.00 C ATOM 544 O TYR A 33 7.062 6.146 4.698 1.00 0.00 O ATOM 545 CB TYR A 33 7.228 2.817 4.027 1.00 0.00 C ATOM 546 CG TYR A 33 7.825 3.449 2.790 1.00 0.00 C ATOM 547 CD1 TYR A 33 7.042 4.206 1.924 1.00 0.00 C ATOM 548 CD2 TYR A 33 9.170 3.285 2.484 1.00 0.00 C ATOM 549 CE1 TYR A 33 7.586 4.782 0.792 1.00 0.00 C ATOM 550 CE2 TYR A 33 9.720 3.860 1.352 1.00 0.00 C ATOM 551 CZ TYR A 33 8.923 4.607 0.511 1.00 0.00 C ATOM 552 OH TYR A 33 9.467 5.178 -0.617 1.00 0.00 O ATOM 0 H TYR A 33 5.618 2.388 5.861 1.00 0.00 H new ATOM 0 HA TYR A 33 7.980 4.020 5.643 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.880 2.010 4.360 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.271 2.366 3.766 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.993 4.345 2.140 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.797 2.699 3.140 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.965 5.367 0.130 1.00 0.00 H new ATOM 0 HE2 TYR A 33 10.768 3.724 1.129 1.00 0.00 H new ATOM 0 HH TYR A 33 10.421 4.959 -0.667 1.00 0.00 H new ATOM 562 N ALA A 34 5.165 5.029 4.234 1.00 0.00 N ATOM 563 CA ALA A 34 4.468 6.200 3.716 1.00 0.00 C ATOM 564 C ALA A 34 4.327 7.281 4.783 1.00 0.00 C ATOM 565 O ALA A 34 4.238 8.467 4.467 1.00 0.00 O ATOM 566 CB ALA A 34 3.101 5.799 3.183 1.00 0.00 C ATOM 0 H ALA A 34 4.615 4.170 4.216 1.00 0.00 H new ATOM 0 HA ALA A 34 5.062 6.614 2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.588 6.680 2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.222 5.071 2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.512 5.358 3.987 1.00 0.00 H new ATOM 572 N ASN A 35 4.302 6.868 6.046 1.00 0.00 N ATOM 573 CA ASN A 35 4.166 7.808 7.152 1.00 0.00 C ATOM 574 C ASN A 35 5.520 8.389 7.551 1.00 0.00 C ATOM 575 O ASN A 35 5.598 9.504 8.070 1.00 0.00 O ATOM 576 CB ASN A 35 3.520 7.120 8.356 1.00 0.00 C ATOM 577 CG ASN A 35 2.594 8.047 9.123 1.00 0.00 C ATOM 578 OD1 ASN A 35 2.653 9.266 8.968 1.00 0.00 O ATOM 579 ND2 ASN A 35 1.738 7.469 9.956 1.00 0.00 N ATOM 0 H ASN A 35 4.374 5.891 6.328 1.00 0.00 H new ATOM 0 HA ASN A 35 3.527 8.626 6.820 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.959 6.250 8.016 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.300 6.755 9.024 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.092 8.040 10.501 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.726 6.454 10.051 1.00 0.00 H new ATOM 586 N ALA A 36 6.583 7.629 7.309 1.00 0.00 N ATOM 587 CA ALA A 36 7.930 8.072 7.649 1.00 0.00 C ATOM 588 C ALA A 36 8.590 8.792 6.476 1.00 0.00 C ATOM 589 O ALA A 36 9.085 9.910 6.624 1.00 0.00 O ATOM 590 CB ALA A 36 8.779 6.889 8.086 1.00 0.00 C ATOM 0 H ALA A 36 6.538 6.705 6.879 1.00 0.00 H new ATOM 0 HA ALA A 36 7.852 8.778 8.476 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.782 7.234 8.337 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.327 6.420 8.960 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.837 6.163 7.275 1.00 0.00 H new ATOM 596 N LYS A 37 8.596 8.144 5.317 1.00 0.00 N ATOM 597 CA LYS A 37 9.202 8.723 4.121 1.00 0.00 C ATOM 598 C LYS A 37 8.482 10.001 3.703 1.00 0.00 C ATOM 599 O LYS A 37 9.102 11.053 3.552 1.00 0.00 O ATOM 600 CB LYS A 37 9.182 7.712 2.973 1.00 0.00 C ATOM 601 CG LYS A 37 10.461 6.901 2.854 1.00 0.00 C ATOM 602 CD LYS A 37 10.676 6.017 4.071 1.00 0.00 C ATOM 603 CE LYS A 37 12.149 5.921 4.439 1.00 0.00 C ATOM 604 NZ LYS A 37 12.670 7.205 4.982 1.00 0.00 N ATOM 0 H LYS A 37 8.189 7.219 5.179 1.00 0.00 H new ATOM 0 HA LYS A 37 10.236 8.975 4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.342 7.032 3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.009 8.242 2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.419 6.283 1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.310 7.574 2.738 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.114 6.416 4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.284 5.020 3.871 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.288 5.131 5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.726 5.639 3.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.530 7.023 5.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.895 7.848 4.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.950 7.642 5.592 1.00 0.00 H new ATOM 618 N THR A 38 7.171 9.901 3.509 1.00 0.00 N ATOM 619 CA THR A 38 6.371 11.051 3.098 1.00 0.00 C ATOM 620 C THR A 38 5.144 11.209 4.002 1.00 0.00 C ATOM 621 O THR A 38 5.135 10.728 5.133 1.00 0.00 O ATOM 622 CB THR A 38 5.945 10.894 1.635 1.00 0.00 C ATOM 623 OG1 THR A 38 5.011 9.842 1.497 1.00 0.00 O ATOM 624 CG2 THR A 38 7.104 10.605 0.703 1.00 0.00 C ATOM 0 H THR A 38 6.640 9.038 3.629 1.00 0.00 H new ATOM 0 HA THR A 38 6.978 11.951 3.194 1.00 0.00 H new ATOM 0 HB THR A 38 5.505 11.852 1.356 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.103 10.210 1.492 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.734 10.505 -0.317 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.822 11.424 0.750 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.591 9.678 1.005 1.00 0.00 H new ATOM 632 N VAL A 39 4.107 11.886 3.500 1.00 0.00 N ATOM 633 CA VAL A 39 2.888 12.096 4.272 1.00 0.00 C ATOM 634 C VAL A 39 1.867 11.001 3.989 1.00 0.00 C ATOM 635 O VAL A 39 1.940 10.321 2.966 1.00 0.00 O ATOM 636 CB VAL A 39 2.257 13.467 3.959 1.00 0.00 C ATOM 637 CG1 VAL A 39 1.082 13.741 4.889 1.00 0.00 C ATOM 638 CG2 VAL A 39 3.294 14.575 4.062 1.00 0.00 C ATOM 0 H VAL A 39 4.091 12.295 2.566 1.00 0.00 H new ATOM 0 HA VAL A 39 3.167 12.065 5.325 1.00 0.00 H new ATOM 0 HB VAL A 39 1.885 13.445 2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.650 14.713 4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.326 12.967 4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.428 13.739 5.923 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.826 15.533 3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.702 14.599 5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.098 14.388 3.350 1.00 0.00 H new ATOM 648 N GLU A 40 0.915 10.833 4.902 1.00 0.00 N ATOM 649 CA GLU A 40 -0.117 9.818 4.751 1.00 0.00 C ATOM 650 C GLU A 40 -1.488 10.456 4.539 1.00 0.00 C ATOM 651 O GLU A 40 -2.089 10.980 5.476 1.00 0.00 O ATOM 652 CB GLU A 40 -0.149 8.907 5.980 1.00 0.00 C ATOM 653 CG GLU A 40 -0.170 9.665 7.296 1.00 0.00 C ATOM 654 CD GLU A 40 -0.983 8.963 8.363 1.00 0.00 C ATOM 655 OE1 GLU A 40 -1.899 8.190 8.001 1.00 0.00 O ATOM 656 OE2 GLU A 40 -0.711 9.182 9.563 1.00 0.00 O ATOM 0 H GLU A 40 0.839 11.388 5.754 1.00 0.00 H new ATOM 0 HA GLU A 40 0.123 9.222 3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.029 8.266 5.925 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.723 8.253 5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.852 9.796 7.651 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.580 10.661 7.130 1.00 0.00 H new ATOM 663 N GLY A 41 -1.978 10.397 3.305 1.00 0.00 N ATOM 664 CA GLY A 41 -3.278 10.967 2.994 1.00 0.00 C ATOM 665 C GLY A 41 -4.291 9.903 2.630 1.00 0.00 C ATOM 666 O GLY A 41 -4.522 8.970 3.402 1.00 0.00 O ATOM 0 H GLY A 41 -1.499 9.965 2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.640 11.534 3.852 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.177 11.670 2.167 1.00 0.00 H new ATOM 670 N VAL A 42 -4.892 10.032 1.451 1.00 0.00 N ATOM 671 CA VAL A 42 -5.880 9.062 0.995 1.00 0.00 C ATOM 672 C VAL A 42 -5.250 7.687 0.869 1.00 0.00 C ATOM 673 O VAL A 42 -4.031 7.562 0.779 1.00 0.00 O ATOM 674 CB VAL A 42 -6.491 9.462 -0.359 1.00 0.00 C ATOM 675 CG1 VAL A 42 -7.359 10.706 -0.206 1.00 0.00 C ATOM 676 CG2 VAL A 42 -5.401 9.686 -1.393 1.00 0.00 C ATOM 0 H VAL A 42 -4.713 10.795 0.798 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.676 9.040 1.739 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.124 8.646 -0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.783 10.975 -1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.165 10.503 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.751 11.531 0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.854 9.968 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.738 10.483 -1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.828 8.768 -1.522 1.00 0.00 H new ATOM 686 N TRP A 43 -6.086 6.658 0.884 1.00 0.00 N ATOM 687 CA TRP A 43 -5.611 5.288 0.797 1.00 0.00 C ATOM 688 C TRP A 43 -6.480 4.454 -0.140 1.00 0.00 C ATOM 689 O TRP A 43 -7.604 4.085 0.205 1.00 0.00 O ATOM 690 CB TRP A 43 -5.599 4.665 2.191 1.00 0.00 C ATOM 691 CG TRP A 43 -4.385 5.008 2.997 1.00 0.00 C ATOM 692 CD1 TRP A 43 -4.235 6.061 3.852 1.00 0.00 C ATOM 693 CD2 TRP A 43 -3.150 4.289 3.022 1.00 0.00 C ATOM 694 NE1 TRP A 43 -2.979 6.037 4.409 1.00 0.00 N ATOM 695 CE2 TRP A 43 -2.294 4.960 3.912 1.00 0.00 C ATOM 696 CE3 TRP A 43 -2.692 3.143 2.373 1.00 0.00 C ATOM 697 CZ2 TRP A 43 -0.998 4.517 4.172 1.00 0.00 C ATOM 698 CZ3 TRP A 43 -1.405 2.702 2.632 1.00 0.00 C ATOM 699 CH2 TRP A 43 -0.572 3.391 3.524 1.00 0.00 C ATOM 0 H TRP A 43 -7.099 6.749 0.956 1.00 0.00 H new ATOM 0 HA TRP A 43 -4.600 5.301 0.389 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.487 4.992 2.732 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.665 3.581 2.095 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.991 6.803 4.060 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -2.616 6.711 5.083 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.328 2.610 1.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.354 5.044 4.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.038 1.814 2.139 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.428 3.025 3.703 1.00 0.00 H new ATOM 710 N THR A 44 -5.950 4.151 -1.318 1.00 0.00 N ATOM 711 CA THR A 44 -6.667 3.349 -2.301 1.00 0.00 C ATOM 712 C THR A 44 -5.933 2.037 -2.556 1.00 0.00 C ATOM 713 O THR A 44 -4.845 2.026 -3.131 1.00 0.00 O ATOM 714 CB THR A 44 -6.827 4.124 -3.612 1.00 0.00 C ATOM 715 OG1 THR A 44 -6.536 5.498 -3.425 1.00 0.00 O ATOM 716 CG2 THR A 44 -8.218 4.026 -4.200 1.00 0.00 C ATOM 0 H THR A 44 -5.022 4.450 -1.617 1.00 0.00 H new ATOM 0 HA THR A 44 -7.657 3.126 -1.904 1.00 0.00 H new ATOM 0 HB THR A 44 -6.123 3.663 -4.305 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.643 5.974 -4.275 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.262 4.597 -5.127 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.453 2.982 -4.406 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.942 4.428 -3.491 1.00 0.00 H new ATOM 724 N TYR A 45 -6.530 0.935 -2.118 1.00 0.00 N ATOM 725 CA TYR A 45 -5.928 -0.381 -2.288 1.00 0.00 C ATOM 726 C TYR A 45 -6.383 -1.030 -3.590 1.00 0.00 C ATOM 727 O TYR A 45 -7.516 -0.837 -4.032 1.00 0.00 O ATOM 728 CB TYR A 45 -6.285 -1.280 -1.103 1.00 0.00 C ATOM 729 CG TYR A 45 -5.685 -2.668 -1.189 1.00 0.00 C ATOM 730 CD1 TYR A 45 -4.359 -2.893 -0.848 1.00 0.00 C ATOM 731 CD2 TYR A 45 -6.449 -3.750 -1.609 1.00 0.00 C ATOM 732 CE1 TYR A 45 -3.810 -4.159 -0.923 1.00 0.00 C ATOM 733 CE2 TYR A 45 -5.907 -5.019 -1.686 1.00 0.00 C ATOM 734 CZ TYR A 45 -4.586 -5.218 -1.341 1.00 0.00 C ATOM 735 OH TYR A 45 -4.043 -6.479 -1.419 1.00 0.00 O ATOM 0 H TYR A 45 -7.432 0.927 -1.642 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.846 -0.255 -2.331 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.947 -0.804 -0.183 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.370 -1.366 -1.038 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.747 -2.066 -0.519 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.483 -3.597 -1.880 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.776 -4.318 -0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.514 -5.850 -2.014 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.725 -7.110 -1.730 1.00 0.00 H new ATOM 745 N LYS A 46 -5.489 -1.803 -4.200 1.00 0.00 N ATOM 746 CA LYS A 46 -5.792 -2.486 -5.450 1.00 0.00 C ATOM 747 C LYS A 46 -5.765 -4.001 -5.260 1.00 0.00 C ATOM 748 O LYS A 46 -4.773 -4.558 -4.791 1.00 0.00 O ATOM 749 CB LYS A 46 -4.794 -2.074 -6.537 1.00 0.00 C ATOM 750 CG LYS A 46 -5.395 -1.183 -7.603 1.00 0.00 C ATOM 751 CD LYS A 46 -5.178 0.289 -7.301 1.00 0.00 C ATOM 752 CE LYS A 46 -4.077 0.881 -8.165 1.00 0.00 C ATOM 753 NZ LYS A 46 -4.503 1.037 -9.573 1.00 0.00 N ATOM 0 H LYS A 46 -4.547 -1.971 -3.846 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.795 -2.195 -5.762 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.956 -1.555 -6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.392 -2.971 -7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.952 -1.424 -8.569 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.463 -1.383 -7.683 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.106 0.836 -7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.921 0.411 -6.249 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.784 1.852 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.197 0.239 -8.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.848 1.678 -10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.497 0.109 -10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.464 1.434 -9.603 1.00 0.00 H new ATOM 767 N ASP A 47 -6.861 -4.657 -5.625 1.00 0.00 N ATOM 768 CA ASP A 47 -6.967 -6.107 -5.494 1.00 0.00 C ATOM 769 C ASP A 47 -6.579 -6.806 -6.795 1.00 0.00 C ATOM 770 O ASP A 47 -7.220 -7.771 -7.202 1.00 0.00 O ATOM 771 CB ASP A 47 -8.393 -6.499 -5.095 1.00 0.00 C ATOM 772 CG ASP A 47 -8.419 -7.495 -3.949 1.00 0.00 C ATOM 773 OD1 ASP A 47 -7.442 -7.531 -3.171 1.00 0.00 O ATOM 774 OD2 ASP A 47 -9.414 -8.240 -3.833 1.00 0.00 O ATOM 0 H ASP A 47 -7.690 -4.208 -6.014 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.276 -6.427 -4.714 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.946 -5.605 -4.808 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.904 -6.927 -5.957 1.00 0.00 H new ATOM 779 N GLU A 48 -5.521 -6.314 -7.429 1.00 0.00 N ATOM 780 CA GLU A 48 -5.047 -6.895 -8.682 1.00 0.00 C ATOM 781 C GLU A 48 -3.768 -7.697 -8.448 1.00 0.00 C ATOM 782 O GLU A 48 -3.491 -8.657 -9.172 1.00 0.00 O ATOM 783 CB GLU A 48 -4.796 -5.798 -9.717 1.00 0.00 C ATOM 784 CG GLU A 48 -5.195 -6.190 -11.125 1.00 0.00 C ATOM 785 CD GLU A 48 -4.005 -6.319 -12.060 1.00 0.00 C ATOM 786 OE1 GLU A 48 -3.188 -7.245 -11.857 1.00 0.00 O ATOM 787 OE2 GLU A 48 -3.885 -5.494 -12.985 1.00 0.00 O ATOM 0 H GLU A 48 -4.976 -5.517 -7.099 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.817 -7.567 -9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.348 -4.904 -9.428 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.738 -5.536 -9.708 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.732 -7.138 -11.095 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.885 -5.446 -11.523 1.00 0.00 H new ATOM 794 N THR A 49 -3.000 -7.298 -7.444 1.00 0.00 N ATOM 795 CA THR A 49 -1.754 -7.978 -7.121 1.00 0.00 C ATOM 796 C THR A 49 -1.151 -7.409 -5.842 1.00 0.00 C ATOM 797 O THR A 49 0.063 -7.234 -5.739 1.00 0.00 O ATOM 798 CB THR A 49 -0.754 -7.848 -8.272 1.00 0.00 C ATOM 799 OG1 THR A 49 0.502 -8.388 -7.911 1.00 0.00 O ATOM 800 CG2 THR A 49 -0.530 -6.415 -8.708 1.00 0.00 C ATOM 0 H THR A 49 -3.218 -6.506 -6.839 1.00 0.00 H new ATOM 0 HA THR A 49 -1.975 -9.034 -6.967 1.00 0.00 H new ATOM 0 HB THR A 49 -1.195 -8.401 -9.102 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.883 -7.866 -7.174 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.189 -6.392 -9.527 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.474 -5.985 -9.042 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.144 -5.836 -7.869 1.00 0.00 H new ATOM 808 N LYS A 50 -2.010 -7.119 -4.867 1.00 0.00 N ATOM 809 CA LYS A 50 -1.564 -6.565 -3.596 1.00 0.00 C ATOM 810 C LYS A 50 -0.850 -5.232 -3.807 1.00 0.00 C ATOM 811 O LYS A 50 0.375 -5.148 -3.708 1.00 0.00 O ATOM 812 CB LYS A 50 -0.634 -7.551 -2.884 1.00 0.00 C ATOM 813 CG LYS A 50 -1.376 -8.617 -2.089 1.00 0.00 C ATOM 814 CD LYS A 50 -0.966 -10.017 -2.513 1.00 0.00 C ATOM 815 CE LYS A 50 -1.466 -10.349 -3.910 1.00 0.00 C ATOM 816 NZ LYS A 50 -2.948 -10.484 -3.954 1.00 0.00 N ATOM 0 H LYS A 50 -3.018 -7.259 -4.935 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.442 -6.392 -2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.002 -8.037 -3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.023 -6.999 -2.212 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.175 -8.485 -1.026 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.450 -8.494 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.120 -10.102 -2.485 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.361 -10.743 -1.803 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.152 -9.568 -4.603 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.007 -11.278 -4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.230 -10.921 -4.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.266 -11.082 -3.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.385 -9.544 -3.873 1.00 0.00 H new ATOM 830 N THR A 51 -1.626 -4.195 -4.104 1.00 0.00 N ATOM 831 CA THR A 51 -1.066 -2.868 -4.337 1.00 0.00 C ATOM 832 C THR A 51 -1.684 -1.836 -3.398 1.00 0.00 C ATOM 833 O THR A 51 -2.888 -1.858 -3.133 1.00 0.00 O ATOM 834 CB THR A 51 -1.285 -2.447 -5.794 1.00 0.00 C ATOM 835 OG1 THR A 51 -1.849 -3.507 -6.545 1.00 0.00 O ATOM 836 CG2 THR A 51 -0.011 -2.019 -6.490 1.00 0.00 C ATOM 0 H THR A 51 -2.641 -4.247 -4.189 1.00 0.00 H new ATOM 0 HA THR A 51 0.004 -2.916 -4.135 1.00 0.00 H new ATOM 0 HB THR A 51 -1.961 -1.593 -5.749 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.982 -3.217 -7.472 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.236 -1.734 -7.518 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.423 -1.169 -5.964 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.699 -2.846 -6.490 1.00 0.00 H new ATOM 844 N PHE A 52 -0.849 -0.929 -2.900 1.00 0.00 N ATOM 845 CA PHE A 52 -1.300 0.120 -1.993 1.00 0.00 C ATOM 846 C PHE A 52 -1.048 1.497 -2.601 1.00 0.00 C ATOM 847 O PHE A 52 0.047 1.776 -3.090 1.00 0.00 O ATOM 848 CB PHE A 52 -0.579 0.009 -0.650 1.00 0.00 C ATOM 849 CG PHE A 52 -1.297 -0.851 0.352 1.00 0.00 C ATOM 850 CD1 PHE A 52 -1.058 -2.215 0.411 1.00 0.00 C ATOM 851 CD2 PHE A 52 -2.207 -0.297 1.238 1.00 0.00 C ATOM 852 CE1 PHE A 52 -1.712 -3.009 1.334 1.00 0.00 C ATOM 853 CE2 PHE A 52 -2.864 -1.085 2.163 1.00 0.00 C ATOM 854 CZ PHE A 52 -2.615 -2.443 2.212 1.00 0.00 C ATOM 0 H PHE A 52 0.149 -0.900 -3.111 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.371 -0.005 -1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.419 -0.398 -0.816 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.451 1.008 -0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.352 -2.663 -0.273 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.405 0.764 1.205 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.517 -4.071 1.369 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.571 -0.640 2.847 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.126 -3.061 2.936 1.00 0.00 H new ATOM 864 N THR A 53 -2.064 2.351 -2.575 1.00 0.00 N ATOM 865 CA THR A 53 -1.941 3.696 -3.130 1.00 0.00 C ATOM 866 C THR A 53 -2.358 4.748 -2.107 1.00 0.00 C ATOM 867 O THR A 53 -3.492 4.748 -1.628 1.00 0.00 O ATOM 868 CB THR A 53 -2.796 3.829 -4.391 1.00 0.00 C ATOM 869 OG1 THR A 53 -2.637 2.693 -5.224 1.00 0.00 O ATOM 870 CG2 THR A 53 -2.462 5.053 -5.214 1.00 0.00 C ATOM 0 H THR A 53 -2.979 2.139 -2.178 1.00 0.00 H new ATOM 0 HA THR A 53 -0.895 3.861 -3.388 1.00 0.00 H new ATOM 0 HB THR A 53 -3.823 3.920 -4.037 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.253 1.987 -4.936 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.105 5.087 -6.094 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.621 5.949 -4.614 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.419 5.007 -5.528 1.00 0.00 H new ATOM 878 N VAL A 54 -1.438 5.644 -1.777 1.00 0.00 N ATOM 879 CA VAL A 54 -1.715 6.703 -0.811 1.00 0.00 C ATOM 880 C VAL A 54 -1.120 8.029 -1.274 1.00 0.00 C ATOM 881 O VAL A 54 0.038 8.091 -1.684 1.00 0.00 O ATOM 882 CB VAL A 54 -1.151 6.354 0.582 1.00 0.00 C ATOM 883 CG1 VAL A 54 0.351 6.128 0.505 1.00 0.00 C ATOM 884 CG2 VAL A 54 -1.480 7.445 1.594 1.00 0.00 C ATOM 0 H VAL A 54 -0.494 5.660 -2.162 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.799 6.797 -0.740 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.623 5.431 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.733 5.883 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.561 5.305 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.837 7.034 0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.071 7.174 2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.043 8.388 1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.562 7.554 1.673 1.00 0.00 H new ATOM 894 N THR A 55 -1.916 9.088 -1.214 1.00 0.00 N ATOM 895 CA THR A 55 -1.446 10.405 -1.634 1.00 0.00 C ATOM 896 C THR A 55 -1.976 11.499 -0.712 1.00 0.00 C ATOM 897 O THR A 55 -2.984 11.315 -0.036 1.00 0.00 O ATOM 898 CB THR A 55 -1.865 10.689 -3.077 1.00 0.00 C ATOM 899 OG1 THR A 55 -1.789 12.074 -3.363 1.00 0.00 O ATOM 900 CG2 THR A 55 -3.267 10.232 -3.390 1.00 0.00 C ATOM 0 H THR A 55 -2.880 9.064 -0.883 1.00 0.00 H new ATOM 0 HA THR A 55 -0.358 10.404 -1.574 1.00 0.00 H new ATOM 0 HB THR A 55 -1.168 10.123 -3.695 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.875 12.303 -3.631 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.502 10.463 -4.429 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.343 9.156 -3.231 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.972 10.746 -2.736 1.00 0.00 H new ATOM 908 N GLU A 56 -1.283 12.632 -0.695 1.00 0.00 N ATOM 909 CA GLU A 56 -1.679 13.754 0.144 1.00 0.00 C ATOM 910 C GLU A 56 -1.001 15.043 -0.310 1.00 0.00 C ATOM 911 O GLU A 56 -1.719 16.031 -0.576 1.00 0.00 O ATOM 912 CB GLU A 56 -1.343 13.473 1.608 1.00 0.00 C ATOM 913 CG GLU A 56 -2.294 14.124 2.591 1.00 0.00 C ATOM 914 CD GLU A 56 -2.053 15.616 2.739 1.00 0.00 C ATOM 915 OE1 GLU A 56 -2.591 16.392 1.919 1.00 0.00 O ATOM 916 OE2 GLU A 56 -1.322 16.008 3.674 1.00 0.00 O ATOM 917 OXT GLU A 56 0.252 15.046 -0.397 1.00 0.00 O ATOM 0 H GLU A 56 -0.445 12.797 -1.253 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.757 13.880 0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.348 12.395 1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.330 13.821 1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.320 13.957 2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.188 13.645 3.564 1.00 0.00 H new TER 924 GLU A 56