USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 793 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 95 ASN : amide:sc= 0.89 K(o=1,f=-2.1!) USER MOD Set 1.2: A 96 THR OG1 : rot -74:sc= 0.143 USER MOD Set 2.1: A 81 MET CE :methyl -153:sc= -0.352 (180deg=-1.13) USER MOD Set 2.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 69 MET CE :methyl -148:sc= 0 (180deg=0) USER MOD Set 3.2: A 71 GLN :FLIP amide:sc= -0.0564 F(o=-1.4!,f=-0.056) USER MOD Set 4.1: A 52 THR OG1 : rot -77:sc= 1.03 USER MOD Set 4.2: A 54 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.113 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 0.796 K(o=0.8,f=-6.5!) USER MOD Single : A 4 MET CE :methyl 159:sc= -0.263 (180deg=-1.2) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0329) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -143:sc= 0.519 (180deg=-0.45) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= 1.21 (180deg=1.13) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.746 K(o=-0.75,f=-1.6) USER MOD Single : A 36 TYR OH : rot 150:sc= 0 USER MOD Single : A 38 ASN : amide:sc=-0.00807 X(o=-0.0081,f=0) USER MOD Single : A 40 ASN : amide:sc= 0.152 K(o=0.15,f=-2.5!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -2.03! USER MOD Single : A 48 TYR OH : rot 22:sc= 0.117 USER MOD Single : A 53 LYS NZ :NH3+ -118:sc= 1.88 (180deg=0.854) USER MOD Single : A 55 TYR OH : rot 72:sc= 0.41 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 82 LYS NZ :NH3+ 154:sc= 0.673 (180deg=-0.255) USER MOD Single : A 84 THR OG1 : rot 160:sc= -0.809 USER MOD Single : A 85 SER OG : rot 180:sc= 0.157 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0698 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0207 USER MOD Single : A 102 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0278) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -38.447 11.030 -4.057 1.00 4.75 N ATOM 2 CA GLY A 1 -39.135 10.632 -2.810 1.00 3.82 C ATOM 3 C GLY A 1 -38.946 9.160 -2.529 1.00 2.64 C ATOM 4 O GLY A 1 -38.180 8.492 -3.231 1.00 2.97 O ATOM 0 H1 GLY A 1 -37.875 11.881 -3.882 1.00 4.75 H new ATOM 0 H2 GLY A 1 -37.828 10.257 -4.374 1.00 4.75 H new ATOM 0 H3 GLY A 1 -39.153 11.233 -4.793 1.00 4.75 H new ATOM 0 HA2 GLY A 1 -38.748 11.217 -1.975 1.00 3.82 H new ATOM 0 HA3 GLY A 1 -40.199 10.856 -2.891 1.00 3.82 H new ATOM 10 N SER A 2 -39.642 8.657 -1.511 1.00 1.83 N ATOM 11 CA SER A 2 -39.554 7.254 -1.114 1.00 1.07 C ATOM 12 C SER A 2 -38.120 6.887 -0.710 1.00 0.80 C ATOM 13 O SER A 2 -37.336 7.754 -0.321 1.00 0.96 O ATOM 14 CB SER A 2 -40.045 6.352 -2.255 1.00 1.95 C ATOM 15 OG SER A 2 -41.388 6.654 -2.603 1.00 2.45 O ATOM 0 H SER A 2 -40.281 9.210 -0.940 1.00 1.83 H new ATOM 0 HA SER A 2 -40.194 7.100 -0.246 1.00 1.07 H new ATOM 0 HB2 SER A 2 -39.403 6.480 -3.126 1.00 1.95 H new ATOM 0 HB3 SER A 2 -39.970 5.307 -1.955 1.00 1.95 H new ATOM 0 HG SER A 2 -41.677 6.067 -3.333 1.00 2.45 H new ATOM 21 N HIS A 3 -37.806 5.597 -0.728 1.00 0.62 N ATOM 22 CA HIS A 3 -36.464 5.130 -0.390 1.00 0.44 C ATOM 23 C HIS A 3 -35.588 5.167 -1.647 1.00 0.40 C ATOM 24 O HIS A 3 -36.098 4.997 -2.753 1.00 0.53 O ATOM 25 CB HIS A 3 -36.510 3.700 0.173 1.00 0.55 C ATOM 26 CG HIS A 3 -37.249 3.564 1.478 1.00 1.04 C ATOM 27 ND1 HIS A 3 -36.715 2.945 2.584 1.00 1.55 N ATOM 28 CD2 HIS A 3 -38.498 3.952 1.845 1.00 1.91 C ATOM 29 CE1 HIS A 3 -37.595 2.954 3.566 1.00 2.22 C ATOM 30 NE2 HIS A 3 -38.687 3.561 3.147 1.00 2.50 N ATOM 0 H HIS A 3 -38.461 4.855 -0.973 1.00 0.62 H new ATOM 0 HA HIS A 3 -36.043 5.784 0.374 1.00 0.44 H new ATOM 0 HB2 HIS A 3 -36.978 3.048 -0.564 1.00 0.55 H new ATOM 0 HB3 HIS A 3 -35.489 3.344 0.310 1.00 0.55 H new ATOM 0 HD1 HIS A 3 -35.780 2.540 2.637 1.00 1.55 H new ATOM 0 HD2 HIS A 3 -39.212 4.473 1.225 1.00 1.91 H new ATOM 0 HE1 HIS A 3 -37.446 2.534 4.550 1.00 2.22 H new ATOM 39 N MET A 4 -34.284 5.371 -1.489 1.00 0.38 N ATOM 40 CA MET A 4 -33.381 5.434 -2.637 1.00 0.41 C ATOM 41 C MET A 4 -32.447 4.231 -2.633 1.00 0.37 C ATOM 42 O MET A 4 -32.016 3.779 -1.571 1.00 0.43 O ATOM 43 CB MET A 4 -32.569 6.741 -2.627 1.00 0.54 C ATOM 44 CG MET A 4 -33.423 8.001 -2.644 1.00 1.29 C ATOM 45 SD MET A 4 -32.436 9.510 -2.726 1.00 1.92 S ATOM 46 CE MET A 4 -31.578 9.272 -4.279 1.00 2.06 C ATOM 0 H MET A 4 -33.830 5.495 -0.584 1.00 0.38 H new ATOM 0 HA MET A 4 -33.981 5.415 -3.547 1.00 0.41 H new ATOM 0 HB2 MET A 4 -31.935 6.756 -1.740 1.00 0.54 H new ATOM 0 HB3 MET A 4 -31.907 6.752 -3.493 1.00 0.54 H new ATOM 0 HG2 MET A 4 -34.098 7.966 -3.499 1.00 1.29 H new ATOM 0 HG3 MET A 4 -34.044 8.026 -1.749 1.00 1.29 H new ATOM 0 HE1 MET A 4 -31.233 10.235 -4.655 1.00 2.06 H new ATOM 0 HE2 MET A 4 -30.722 8.615 -4.125 1.00 2.06 H new ATOM 0 HE3 MET A 4 -32.256 8.821 -5.004 1.00 2.06 H new ATOM 56 N GLN A 5 -32.216 3.655 -3.807 1.00 0.34 N ATOM 57 CA GLN A 5 -31.331 2.508 -3.925 1.00 0.33 C ATOM 58 C GLN A 5 -29.870 2.949 -3.941 1.00 0.29 C ATOM 59 O GLN A 5 -29.479 3.798 -4.738 1.00 0.49 O ATOM 60 CB GLN A 5 -31.640 1.716 -5.196 1.00 0.44 C ATOM 61 CG GLN A 5 -30.787 0.468 -5.349 1.00 0.53 C ATOM 62 CD GLN A 5 -30.937 -0.185 -6.708 1.00 1.07 C ATOM 63 OE1 GLN A 5 -30.212 0.141 -7.646 1.00 1.90 O ATOM 64 NE2 GLN A 5 -31.877 -1.109 -6.826 1.00 1.53 N ATOM 0 H GLN A 5 -32.629 3.964 -4.687 1.00 0.34 H new ATOM 0 HA GLN A 5 -31.498 1.869 -3.058 1.00 0.33 H new ATOM 0 HB2 GLN A 5 -32.692 1.430 -5.191 1.00 0.44 H new ATOM 0 HB3 GLN A 5 -31.489 2.360 -6.063 1.00 0.44 H new ATOM 0 HG2 GLN A 5 -29.740 0.727 -5.190 1.00 0.53 H new ATOM 0 HG3 GLN A 5 -31.059 -0.249 -4.575 1.00 0.53 H new ATOM 0 HE21 GLN A 5 -32.458 -1.351 -6.023 1.00 1.53 H new ATOM 0 HE22 GLN A 5 -32.021 -1.579 -7.720 1.00 1.53 H new ATOM 73 N TYR A 6 -29.072 2.378 -3.052 1.00 0.20 N ATOM 74 CA TYR A 6 -27.645 2.661 -3.012 1.00 0.21 C ATOM 75 C TYR A 6 -26.893 1.358 -3.237 1.00 0.23 C ATOM 76 O TYR A 6 -27.365 0.281 -2.851 1.00 0.30 O ATOM 77 CB TYR A 6 -27.234 3.301 -1.666 1.00 0.28 C ATOM 78 CG TYR A 6 -27.677 4.744 -1.521 1.00 0.28 C ATOM 79 CD1 TYR A 6 -26.802 5.788 -1.797 1.00 0.79 C ATOM 80 CD2 TYR A 6 -28.963 5.066 -1.097 1.00 0.78 C ATOM 81 CE1 TYR A 6 -27.192 7.106 -1.654 1.00 0.82 C ATOM 82 CE2 TYR A 6 -29.360 6.383 -0.956 1.00 0.83 C ATOM 83 CZ TYR A 6 -28.511 7.390 -1.280 1.00 0.43 C ATOM 84 OH TYR A 6 -28.857 8.711 -1.080 1.00 0.53 O ATOM 0 H TYR A 6 -29.389 1.714 -2.346 1.00 0.20 H new ATOM 0 HA TYR A 6 -27.397 3.378 -3.795 1.00 0.21 H new ATOM 0 HB2 TYR A 6 -27.658 2.716 -0.850 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -26.150 3.250 -1.565 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -25.799 5.565 -2.129 1.00 0.79 H new ATOM 0 HD2 TYR A 6 -29.663 4.274 -0.874 1.00 0.78 H new ATOM 0 HE1 TYR A 6 -26.488 7.907 -1.828 1.00 0.82 H new ATOM 0 HE2 TYR A 6 -30.349 6.611 -0.587 1.00 0.83 H new ATOM 0 HH TYR A 6 -29.802 8.767 -0.825 1.00 0.53 H new ATOM 94 N LYS A 7 -25.751 1.441 -3.889 1.00 0.26 N ATOM 95 CA LYS A 7 -24.989 0.256 -4.224 1.00 0.30 C ATOM 96 C LYS A 7 -23.569 0.344 -3.695 1.00 0.23 C ATOM 97 O LYS A 7 -23.024 1.433 -3.532 1.00 0.31 O ATOM 98 CB LYS A 7 -24.990 0.008 -5.752 1.00 0.50 C ATOM 99 CG LYS A 7 -24.675 1.234 -6.601 1.00 0.98 C ATOM 100 CD LYS A 7 -25.853 2.197 -6.681 1.00 1.30 C ATOM 101 CE LYS A 7 -26.998 1.652 -7.517 1.00 1.94 C ATOM 102 NZ LYS A 7 -26.672 1.639 -8.969 1.00 2.57 N ATOM 0 H LYS A 7 -25.330 2.317 -4.197 1.00 0.26 H new ATOM 0 HA LYS A 7 -25.473 -0.593 -3.741 1.00 0.30 H new ATOM 0 HB2 LYS A 7 -24.262 -0.770 -5.980 1.00 0.50 H new ATOM 0 HB3 LYS A 7 -25.968 -0.376 -6.043 1.00 0.50 H new ATOM 0 HG2 LYS A 7 -23.812 1.752 -6.182 1.00 0.98 H new ATOM 0 HG3 LYS A 7 -24.399 0.916 -7.606 1.00 0.98 H new ATOM 0 HD2 LYS A 7 -26.212 2.410 -5.674 1.00 1.30 H new ATOM 0 HD3 LYS A 7 -25.516 3.143 -7.106 1.00 1.30 H new ATOM 0 HE2 LYS A 7 -27.236 0.640 -7.190 1.00 1.94 H new ATOM 0 HE3 LYS A 7 -27.889 2.258 -7.351 1.00 1.94 H new ATOM 0 HZ1 LYS A 7 -27.522 1.390 -9.513 1.00 2.57 H new ATOM 0 HZ2 LYS A 7 -26.339 2.581 -9.259 1.00 2.57 H new ATOM 0 HZ3 LYS A 7 -25.926 0.937 -9.151 1.00 2.57 H new ATOM 116 N LEU A 8 -22.988 -0.813 -3.413 1.00 0.22 N ATOM 117 CA LEU A 8 -21.634 -0.873 -2.874 1.00 0.20 C ATOM 118 C LEU A 8 -20.787 -1.834 -3.687 1.00 0.17 C ATOM 119 O LEU A 8 -21.279 -2.855 -4.169 1.00 0.25 O ATOM 120 CB LEU A 8 -21.635 -1.336 -1.414 1.00 0.28 C ATOM 121 CG LEU A 8 -20.311 -1.176 -0.655 1.00 0.28 C ATOM 122 CD1 LEU A 8 -20.003 0.286 -0.343 1.00 0.30 C ATOM 123 CD2 LEU A 8 -20.370 -1.987 0.618 1.00 0.33 C ATOM 0 H LEU A 8 -23.431 -1.722 -3.548 1.00 0.22 H new ATOM 0 HA LEU A 8 -21.217 0.133 -2.928 1.00 0.20 H new ATOM 0 HB2 LEU A 8 -22.406 -0.782 -0.879 1.00 0.28 H new ATOM 0 HB3 LEU A 8 -21.921 -2.387 -1.388 1.00 0.28 H new ATOM 0 HG LEU A 8 -19.505 -1.541 -1.291 1.00 0.28 H new ATOM 0 HD11 LEU A 8 -19.057 0.352 0.195 1.00 0.30 H new ATOM 0 HD12 LEU A 8 -19.932 0.849 -1.273 1.00 0.30 H new ATOM 0 HD13 LEU A 8 -20.800 0.702 0.273 1.00 0.30 H new ATOM 0 HD21 LEU A 8 -19.432 -1.878 1.163 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -21.193 -1.632 1.238 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -20.527 -3.037 0.373 1.00 0.33 H new ATOM 135 N ILE A 9 -19.519 -1.498 -3.838 1.00 0.15 N ATOM 136 CA ILE A 9 -18.579 -2.341 -4.547 1.00 0.14 C ATOM 137 C ILE A 9 -17.366 -2.599 -3.666 1.00 0.13 C ATOM 138 O ILE A 9 -16.682 -1.655 -3.258 1.00 0.17 O ATOM 139 CB ILE A 9 -18.131 -1.699 -5.886 1.00 0.20 C ATOM 140 CG1 ILE A 9 -19.325 -1.583 -6.858 1.00 0.26 C ATOM 141 CG2 ILE A 9 -17.006 -2.516 -6.518 1.00 0.26 C ATOM 142 CD1 ILE A 9 -18.966 -0.923 -8.179 1.00 0.62 C ATOM 0 H ILE A 9 -19.115 -0.636 -3.473 1.00 0.15 H new ATOM 0 HA ILE A 9 -19.077 -3.282 -4.781 1.00 0.14 H new ATOM 0 HB ILE A 9 -17.757 -0.696 -5.679 1.00 0.20 H new ATOM 0 HG12 ILE A 9 -19.722 -2.579 -7.054 1.00 0.26 H new ATOM 0 HG13 ILE A 9 -20.120 -1.011 -6.379 1.00 0.26 H new ATOM 0 HG21 ILE A 9 -16.703 -2.052 -7.457 1.00 0.26 H new ATOM 0 HG22 ILE A 9 -16.155 -2.550 -5.838 1.00 0.26 H new ATOM 0 HG23 ILE A 9 -17.357 -3.530 -6.711 1.00 0.26 H new ATOM 0 HD11 ILE A 9 -19.851 -0.874 -8.814 1.00 0.62 H new ATOM 0 HD12 ILE A 9 -18.596 0.085 -7.993 1.00 0.62 H new ATOM 0 HD13 ILE A 9 -18.193 -1.506 -8.679 1.00 0.62 H new ATOM 154 N LEU A 10 -17.129 -3.861 -3.318 1.00 0.12 N ATOM 155 CA LEU A 10 -15.977 -4.196 -2.493 1.00 0.13 C ATOM 156 C LEU A 10 -14.798 -4.502 -3.390 1.00 0.15 C ATOM 157 O LEU A 10 -14.800 -5.495 -4.119 1.00 0.25 O ATOM 158 CB LEU A 10 -16.216 -5.398 -1.554 1.00 0.14 C ATOM 159 CG LEU A 10 -17.403 -5.333 -0.576 1.00 0.16 C ATOM 160 CD1 LEU A 10 -17.622 -3.941 -0.033 1.00 0.17 C ATOM 161 CD2 LEU A 10 -18.676 -5.877 -1.205 1.00 0.19 C ATOM 0 H LEU A 10 -17.709 -4.655 -3.590 1.00 0.12 H new ATOM 0 HA LEU A 10 -15.785 -3.331 -1.858 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -16.344 -6.285 -2.175 1.00 0.14 H new ATOM 0 HB3 LEU A 10 -15.309 -5.548 -0.968 1.00 0.14 H new ATOM 0 HG LEU A 10 -17.144 -5.972 0.268 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -18.470 -3.947 0.652 1.00 0.17 H new ATOM 0 HD12 LEU A 10 -16.729 -3.613 0.498 1.00 0.17 H new ATOM 0 HD13 LEU A 10 -17.826 -3.257 -0.857 1.00 0.17 H new ATOM 0 HD21 LEU A 10 -19.492 -5.815 -0.486 1.00 0.19 H new ATOM 0 HD22 LEU A 10 -18.925 -5.289 -2.088 1.00 0.19 H new ATOM 0 HD23 LEU A 10 -18.524 -6.917 -1.493 1.00 0.19 H new ATOM 173 N ASN A 11 -13.816 -3.626 -3.380 1.00 0.15 N ATOM 174 CA ASN A 11 -12.632 -3.835 -4.174 1.00 0.18 C ATOM 175 C ASN A 11 -11.483 -4.189 -3.251 1.00 0.20 C ATOM 176 O ASN A 11 -10.797 -3.307 -2.727 1.00 0.24 O ATOM 177 CB ASN A 11 -12.293 -2.572 -4.966 1.00 0.24 C ATOM 178 CG ASN A 11 -11.454 -2.856 -6.197 1.00 1.01 C ATOM 179 OD1 ASN A 11 -10.734 -3.854 -6.267 1.00 1.96 O ATOM 180 ND2 ASN A 11 -11.525 -1.962 -7.167 1.00 1.33 N ATOM 0 H ASN A 11 -13.817 -2.766 -2.832 1.00 0.15 H new ATOM 0 HA ASN A 11 -12.806 -4.647 -4.880 1.00 0.18 H new ATOM 0 HB2 ASN A 11 -13.217 -2.079 -5.268 1.00 0.24 H new ATOM 0 HB3 ASN A 11 -11.757 -1.877 -4.320 1.00 0.24 H new ATOM 0 HD21 ASN A 11 -10.971 -2.084 -8.015 1.00 1.33 H new ATOM 0 HD22 ASN A 11 -12.134 -1.150 -7.068 1.00 1.33 H new ATOM 187 N GLY A 12 -11.359 -5.473 -2.965 1.00 0.21 N ATOM 188 CA GLY A 12 -10.287 -5.943 -2.111 1.00 0.26 C ATOM 189 C GLY A 12 -9.594 -7.143 -2.701 1.00 0.39 C ATOM 190 O GLY A 12 -9.642 -7.359 -3.908 1.00 0.91 O ATOM 0 H GLY A 12 -11.983 -6.203 -3.309 1.00 0.21 H new ATOM 0 HA2 GLY A 12 -9.563 -5.142 -1.960 1.00 0.26 H new ATOM 0 HA3 GLY A 12 -10.688 -6.199 -1.130 1.00 0.26 H new ATOM 194 N LYS A 13 -8.923 -7.903 -1.858 1.00 0.44 N ATOM 195 CA LYS A 13 -8.198 -9.095 -2.314 1.00 0.56 C ATOM 196 C LYS A 13 -9.032 -10.381 -2.175 1.00 0.66 C ATOM 197 O LYS A 13 -9.322 -11.033 -3.177 1.00 0.89 O ATOM 198 CB LYS A 13 -6.842 -9.220 -1.596 1.00 0.76 C ATOM 199 CG LYS A 13 -5.927 -8.034 -1.849 1.00 1.17 C ATOM 200 CD LYS A 13 -4.574 -8.214 -1.186 1.00 1.63 C ATOM 201 CE LYS A 13 -3.793 -9.355 -1.818 1.00 2.41 C ATOM 202 NZ LYS A 13 -2.508 -9.602 -1.122 1.00 3.26 N ATOM 0 H LYS A 13 -8.859 -7.726 -0.856 1.00 0.44 H new ATOM 0 HA LYS A 13 -8.008 -8.966 -3.380 1.00 0.56 H new ATOM 0 HB2 LYS A 13 -7.012 -9.319 -0.524 1.00 0.76 H new ATOM 0 HB3 LYS A 13 -6.345 -10.133 -1.925 1.00 0.76 H new ATOM 0 HG2 LYS A 13 -5.791 -7.902 -2.922 1.00 1.17 H new ATOM 0 HG3 LYS A 13 -6.398 -7.125 -1.474 1.00 1.17 H new ATOM 0 HD2 LYS A 13 -4.001 -7.290 -1.268 1.00 1.63 H new ATOM 0 HD3 LYS A 13 -4.712 -8.411 -0.123 1.00 1.63 H new ATOM 0 HE2 LYS A 13 -4.397 -10.262 -1.797 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -3.599 -9.125 -2.866 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -2.008 -10.387 -1.585 1.00 3.26 H new ATOM 0 HZ2 LYS A 13 -1.920 -8.745 -1.163 1.00 3.26 H new ATOM 0 HZ3 LYS A 13 -2.693 -9.847 -0.128 1.00 3.26 H new ATOM 216 N THR A 14 -9.460 -10.736 -0.960 1.00 0.76 N ATOM 217 CA THR A 14 -10.236 -11.958 -0.757 1.00 1.06 C ATOM 218 C THR A 14 -11.729 -11.639 -0.766 1.00 0.93 C ATOM 219 O THR A 14 -12.576 -12.521 -0.641 1.00 1.20 O ATOM 220 CB THR A 14 -9.860 -12.617 0.585 1.00 1.44 C ATOM 221 OG1 THR A 14 -8.444 -12.503 0.791 1.00 1.93 O ATOM 222 CG2 THR A 14 -10.273 -14.087 0.606 1.00 1.86 C ATOM 0 H THR A 14 -9.283 -10.199 -0.111 1.00 0.76 H new ATOM 0 HA THR A 14 -10.009 -12.649 -1.569 1.00 1.06 H new ATOM 0 HB THR A 14 -10.391 -12.104 1.387 1.00 1.44 H new ATOM 0 HG1 THR A 14 -8.203 -12.920 1.645 1.00 1.93 H new ATOM 0 HG21 THR A 14 -9.997 -14.529 1.563 1.00 1.86 H new ATOM 0 HG22 THR A 14 -11.352 -14.164 0.469 1.00 1.86 H new ATOM 0 HG23 THR A 14 -9.766 -14.619 -0.199 1.00 1.86 H new ATOM 230 N LEU A 15 -12.037 -10.368 -0.970 1.00 0.64 N ATOM 231 CA LEU A 15 -13.409 -9.906 -0.974 1.00 0.66 C ATOM 232 C LEU A 15 -13.622 -8.981 -2.158 1.00 0.49 C ATOM 233 O LEU A 15 -13.179 -7.832 -2.154 1.00 0.55 O ATOM 234 CB LEU A 15 -13.727 -9.177 0.337 1.00 0.92 C ATOM 235 CG LEU A 15 -15.063 -9.527 0.996 1.00 1.07 C ATOM 236 CD1 LEU A 15 -16.199 -9.397 -0.002 1.00 1.80 C ATOM 237 CD2 LEU A 15 -15.022 -10.926 1.611 1.00 1.35 C ATOM 0 H LEU A 15 -11.347 -9.636 -1.136 1.00 0.64 H new ATOM 0 HA LEU A 15 -14.079 -10.761 -1.061 1.00 0.66 H new ATOM 0 HB2 LEU A 15 -12.928 -9.387 1.048 1.00 0.92 H new ATOM 0 HB3 LEU A 15 -13.710 -8.104 0.146 1.00 0.92 H new ATOM 0 HG LEU A 15 -15.242 -8.819 1.805 1.00 1.07 H new ATOM 0 HD11 LEU A 15 -17.141 -9.650 0.484 1.00 1.80 H new ATOM 0 HD12 LEU A 15 -16.244 -8.372 -0.370 1.00 1.80 H new ATOM 0 HD13 LEU A 15 -16.029 -10.076 -0.838 1.00 1.80 H new ATOM 0 HD21 LEU A 15 -15.984 -11.149 2.072 1.00 1.35 H new ATOM 0 HD22 LEU A 15 -14.814 -11.660 0.832 1.00 1.35 H new ATOM 0 HD23 LEU A 15 -14.238 -10.968 2.367 1.00 1.35 H new ATOM 249 N LYS A 16 -14.186 -9.536 -3.209 1.00 0.42 N ATOM 250 CA LYS A 16 -14.479 -8.795 -4.416 1.00 0.37 C ATOM 251 C LYS A 16 -15.909 -9.091 -4.843 1.00 0.43 C ATOM 252 O LYS A 16 -16.248 -10.236 -5.135 1.00 0.58 O ATOM 253 CB LYS A 16 -13.510 -9.210 -5.524 1.00 0.45 C ATOM 254 CG LYS A 16 -12.040 -8.915 -5.247 1.00 0.43 C ATOM 255 CD LYS A 16 -11.167 -9.894 -5.970 1.00 1.03 C ATOM 256 CE LYS A 16 -9.694 -9.528 -5.906 1.00 1.81 C ATOM 257 NZ LYS A 16 -9.431 -8.231 -6.582 1.00 2.49 N ATOM 0 H LYS A 16 -14.455 -10.519 -3.250 1.00 0.42 H new ATOM 0 HA LYS A 16 -14.366 -7.727 -4.230 1.00 0.37 H new ATOM 0 HB2 LYS A 16 -13.622 -10.280 -5.700 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -13.798 -8.703 -6.445 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -11.800 -7.900 -5.564 1.00 0.43 H new ATOM 0 HG3 LYS A 16 -11.847 -8.968 -4.175 1.00 0.43 H new ATOM 0 HD2 LYS A 16 -11.309 -10.886 -5.542 1.00 1.03 H new ATOM 0 HD3 LYS A 16 -11.478 -9.950 -7.013 1.00 1.03 H new ATOM 0 HE2 LYS A 16 -9.376 -9.469 -4.865 1.00 1.81 H new ATOM 0 HE3 LYS A 16 -9.101 -10.313 -6.376 1.00 1.81 H new ATOM 0 HZ1 LYS A 16 -8.516 -8.276 -7.075 1.00 2.49 H new ATOM 0 HZ2 LYS A 16 -10.186 -8.039 -7.271 1.00 2.49 H new ATOM 0 HZ3 LYS A 16 -9.406 -7.469 -5.874 1.00 2.49 H new ATOM 271 N GLY A 17 -16.751 -8.075 -4.839 1.00 0.33 N ATOM 272 CA GLY A 17 -18.138 -8.279 -5.180 1.00 0.39 C ATOM 273 C GLY A 17 -18.937 -7.007 -5.064 1.00 0.26 C ATOM 274 O GLY A 17 -18.368 -5.935 -4.853 1.00 0.23 O ATOM 0 H GLY A 17 -16.500 -7.114 -4.606 1.00 0.33 H new ATOM 0 HA2 GLY A 17 -18.209 -8.661 -6.198 1.00 0.39 H new ATOM 0 HA3 GLY A 17 -18.565 -9.038 -4.524 1.00 0.39 H new ATOM 278 N GLU A 18 -20.252 -7.128 -5.175 1.00 0.28 N ATOM 279 CA GLU A 18 -21.143 -5.981 -5.078 1.00 0.23 C ATOM 280 C GLU A 18 -22.359 -6.322 -4.228 1.00 0.29 C ATOM 281 O GLU A 18 -22.583 -7.483 -3.890 1.00 0.49 O ATOM 282 CB GLU A 18 -21.592 -5.536 -6.474 1.00 0.46 C ATOM 283 CG GLU A 18 -20.455 -5.096 -7.379 1.00 0.70 C ATOM 284 CD GLU A 18 -20.892 -4.937 -8.820 1.00 1.17 C ATOM 285 OE1 GLU A 18 -21.359 -3.834 -9.181 1.00 1.69 O ATOM 286 OE2 GLU A 18 -20.761 -5.901 -9.598 1.00 1.69 O ATOM 0 H GLU A 18 -20.728 -8.016 -5.333 1.00 0.28 H new ATOM 0 HA GLU A 18 -20.600 -5.164 -4.603 1.00 0.23 H new ATOM 0 HB2 GLU A 18 -22.125 -6.358 -6.952 1.00 0.46 H new ATOM 0 HB3 GLU A 18 -22.300 -4.713 -6.371 1.00 0.46 H new ATOM 0 HG2 GLU A 18 -20.052 -4.150 -7.018 1.00 0.70 H new ATOM 0 HG3 GLU A 18 -19.648 -5.827 -7.325 1.00 0.70 H new ATOM 293 N THR A 19 -23.118 -5.301 -3.857 1.00 0.22 N ATOM 294 CA THR A 19 -24.318 -5.481 -3.055 1.00 0.32 C ATOM 295 C THR A 19 -25.134 -4.190 -3.068 1.00 0.29 C ATOM 296 O THR A 19 -24.603 -3.123 -3.390 1.00 0.31 O ATOM 297 CB THR A 19 -23.971 -5.886 -1.602 1.00 0.44 C ATOM 298 OG1 THR A 19 -25.165 -6.172 -0.868 1.00 0.58 O ATOM 299 CG2 THR A 19 -23.188 -4.776 -0.898 1.00 0.45 C ATOM 0 H THR A 19 -22.921 -4.331 -4.102 1.00 0.22 H new ATOM 0 HA THR A 19 -24.907 -6.290 -3.488 1.00 0.32 H new ATOM 0 HB THR A 19 -23.349 -6.780 -1.641 1.00 0.44 H new ATOM 0 HG1 THR A 19 -24.932 -6.428 0.049 1.00 0.58 H new ATOM 0 HG21 THR A 19 -22.956 -5.085 0.121 1.00 0.45 H new ATOM 0 HG22 THR A 19 -22.261 -4.585 -1.439 1.00 0.45 H new ATOM 0 HG23 THR A 19 -23.788 -3.866 -0.874 1.00 0.45 H new ATOM 307 N THR A 20 -26.426 -4.287 -2.777 1.00 0.27 N ATOM 308 CA THR A 20 -27.293 -3.121 -2.793 1.00 0.24 C ATOM 309 C THR A 20 -28.149 -3.036 -1.530 1.00 0.25 C ATOM 310 O THR A 20 -28.344 -4.029 -0.829 1.00 0.31 O ATOM 311 CB THR A 20 -28.219 -3.120 -4.032 1.00 0.30 C ATOM 312 OG1 THR A 20 -28.937 -4.357 -4.115 1.00 0.38 O ATOM 313 CG2 THR A 20 -27.437 -2.916 -5.325 1.00 0.32 C ATOM 0 H THR A 20 -26.893 -5.159 -2.528 1.00 0.27 H new ATOM 0 HA THR A 20 -26.638 -2.251 -2.836 1.00 0.24 H new ATOM 0 HB THR A 20 -28.914 -2.289 -3.913 1.00 0.30 H new ATOM 0 HG1 THR A 20 -29.521 -4.344 -4.902 1.00 0.38 H new ATOM 0 HG21 THR A 20 -28.125 -2.922 -6.171 1.00 0.32 H new ATOM 0 HG22 THR A 20 -26.916 -1.960 -5.288 1.00 0.32 H new ATOM 0 HG23 THR A 20 -26.711 -3.721 -5.442 1.00 0.32 H new ATOM 321 N THR A 21 -28.624 -1.838 -1.232 1.00 0.23 N ATOM 322 CA THR A 21 -29.498 -1.620 -0.094 1.00 0.26 C ATOM 323 C THR A 21 -30.249 -0.309 -0.293 1.00 0.25 C ATOM 324 O THR A 21 -29.837 0.527 -1.104 1.00 0.26 O ATOM 325 CB THR A 21 -28.730 -1.588 1.256 1.00 0.31 C ATOM 326 OG1 THR A 21 -29.648 -1.812 2.339 1.00 0.38 O ATOM 327 CG2 THR A 21 -28.028 -0.236 1.465 1.00 0.28 C ATOM 0 H THR A 21 -28.416 -0.996 -1.768 1.00 0.23 H new ATOM 0 HA THR A 21 -30.191 -2.459 -0.042 1.00 0.26 H new ATOM 0 HB THR A 21 -27.974 -2.373 1.233 1.00 0.31 H new ATOM 0 HG1 THR A 21 -29.161 -1.793 3.189 1.00 0.38 H new ATOM 0 HG21 THR A 21 -27.499 -0.244 2.418 1.00 0.28 H new ATOM 0 HG22 THR A 21 -27.317 -0.067 0.657 1.00 0.28 H new ATOM 0 HG23 THR A 21 -28.770 0.562 1.469 1.00 0.28 H new ATOM 335 N GLU A 22 -31.387 -0.172 0.367 1.00 0.31 N ATOM 336 CA GLU A 22 -32.173 1.047 0.268 1.00 0.36 C ATOM 337 C GLU A 22 -31.881 1.964 1.455 1.00 0.36 C ATOM 338 O GLU A 22 -31.552 1.496 2.547 1.00 0.58 O ATOM 339 CB GLU A 22 -33.691 0.709 0.169 1.00 0.51 C ATOM 340 CG GLU A 22 -34.212 -0.270 1.227 1.00 1.16 C ATOM 341 CD GLU A 22 -34.328 0.345 2.607 1.00 1.77 C ATOM 342 OE1 GLU A 22 -34.162 -0.384 3.604 1.00 2.26 O ATOM 343 OE2 GLU A 22 -34.571 1.566 2.700 1.00 2.24 O ATOM 0 H GLU A 22 -31.786 -0.887 0.975 1.00 0.31 H new ATOM 0 HA GLU A 22 -31.891 1.577 -0.642 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -34.259 1.636 0.244 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -33.890 0.292 -0.818 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -35.189 -0.641 0.919 1.00 1.16 H new ATOM 0 HG3 GLU A 22 -33.545 -1.131 1.275 1.00 1.16 H new ATOM 350 N ALA A 23 -31.908 3.268 1.206 1.00 0.26 N ATOM 351 CA ALA A 23 -31.680 4.269 2.249 1.00 0.28 C ATOM 352 C ALA A 23 -32.301 5.593 1.809 1.00 0.31 C ATOM 353 O ALA A 23 -32.545 5.789 0.620 1.00 0.38 O ATOM 354 CB ALA A 23 -30.186 4.447 2.494 1.00 0.32 C ATOM 0 H ALA A 23 -32.087 3.663 0.283 1.00 0.26 H new ATOM 0 HA ALA A 23 -32.142 3.937 3.179 1.00 0.28 H new ATOM 0 HB1 ALA A 23 -30.031 5.194 3.272 1.00 0.32 H new ATOM 0 HB2 ALA A 23 -29.754 3.498 2.811 1.00 0.32 H new ATOM 0 HB3 ALA A 23 -29.703 4.776 1.574 1.00 0.32 H new ATOM 360 N VAL A 24 -32.602 6.482 2.746 1.00 0.35 N ATOM 361 CA VAL A 24 -33.185 7.771 2.382 1.00 0.45 C ATOM 362 C VAL A 24 -32.128 8.868 2.248 1.00 0.49 C ATOM 363 O VAL A 24 -32.409 9.936 1.704 1.00 0.74 O ATOM 364 CB VAL A 24 -34.266 8.214 3.388 1.00 0.56 C ATOM 365 CG1 VAL A 24 -35.472 7.292 3.311 1.00 1.05 C ATOM 366 CG2 VAL A 24 -33.712 8.245 4.801 1.00 1.09 C ATOM 0 H VAL A 24 -32.457 6.341 3.746 1.00 0.35 H new ATOM 0 HA VAL A 24 -33.651 7.625 1.407 1.00 0.45 H new ATOM 0 HB VAL A 24 -34.581 9.224 3.125 1.00 0.56 H new ATOM 0 HG11 VAL A 24 -36.226 7.618 4.027 1.00 1.05 H new ATOM 0 HG12 VAL A 24 -35.890 7.323 2.305 1.00 1.05 H new ATOM 0 HG13 VAL A 24 -35.166 6.272 3.545 1.00 1.05 H new ATOM 0 HG21 VAL A 24 -34.494 8.561 5.492 1.00 1.09 H new ATOM 0 HG22 VAL A 24 -33.364 7.250 5.077 1.00 1.09 H new ATOM 0 HG23 VAL A 24 -32.880 8.947 4.850 1.00 1.09 H new ATOM 376 N ASP A 25 -30.904 8.585 2.686 1.00 0.39 N ATOM 377 CA ASP A 25 -29.823 9.564 2.618 1.00 0.45 C ATOM 378 C ASP A 25 -28.513 8.873 2.279 1.00 0.39 C ATOM 379 O ASP A 25 -28.347 7.679 2.544 1.00 0.35 O ATOM 380 CB ASP A 25 -29.665 10.333 3.939 1.00 0.54 C ATOM 381 CG ASP A 25 -30.807 11.295 4.208 1.00 1.25 C ATOM 382 OD1 ASP A 25 -30.799 12.404 3.644 1.00 1.51 O ATOM 383 OD2 ASP A 25 -31.726 10.936 4.977 1.00 2.13 O ATOM 0 H ASP A 25 -30.636 7.688 3.091 1.00 0.39 H new ATOM 0 HA ASP A 25 -30.080 10.279 1.836 1.00 0.45 H new ATOM 0 HB2 ASP A 25 -29.597 9.621 4.761 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -28.727 10.888 3.919 1.00 0.54 H new ATOM 388 N ALA A 26 -27.574 9.628 1.721 1.00 0.44 N ATOM 389 CA ALA A 26 -26.283 9.079 1.333 1.00 0.46 C ATOM 390 C ALA A 26 -25.429 8.781 2.559 1.00 0.38 C ATOM 391 O ALA A 26 -24.731 7.767 2.612 1.00 0.37 O ATOM 392 CB ALA A 26 -25.554 10.043 0.405 1.00 0.59 C ATOM 0 H ALA A 26 -27.684 10.623 1.527 1.00 0.44 H new ATOM 0 HA ALA A 26 -26.458 8.143 0.802 1.00 0.46 H new ATOM 0 HB1 ALA A 26 -24.590 9.618 0.124 1.00 0.59 H new ATOM 0 HB2 ALA A 26 -26.153 10.209 -0.491 1.00 0.59 H new ATOM 0 HB3 ALA A 26 -25.397 10.992 0.917 1.00 0.59 H new ATOM 398 N ALA A 27 -25.511 9.656 3.554 1.00 0.39 N ATOM 399 CA ALA A 27 -24.740 9.495 4.783 1.00 0.38 C ATOM 400 C ALA A 27 -25.209 8.276 5.572 1.00 0.31 C ATOM 401 O ALA A 27 -24.433 7.646 6.287 1.00 0.32 O ATOM 402 CB ALA A 27 -24.845 10.747 5.643 1.00 0.48 C ATOM 0 H ALA A 27 -26.104 10.486 3.535 1.00 0.39 H new ATOM 0 HA ALA A 27 -23.697 9.341 4.506 1.00 0.38 H new ATOM 0 HB1 ALA A 27 -24.265 10.611 6.556 1.00 0.48 H new ATOM 0 HB2 ALA A 27 -24.456 11.602 5.090 1.00 0.48 H new ATOM 0 HB3 ALA A 27 -25.889 10.925 5.900 1.00 0.48 H new ATOM 408 N THR A 28 -26.479 7.937 5.420 1.00 0.31 N ATOM 409 CA THR A 28 -27.059 6.800 6.122 1.00 0.30 C ATOM 410 C THR A 28 -26.618 5.482 5.487 1.00 0.24 C ATOM 411 O THR A 28 -26.479 4.468 6.171 1.00 0.28 O ATOM 412 CB THR A 28 -28.595 6.891 6.117 1.00 0.36 C ATOM 413 OG1 THR A 28 -28.979 8.253 6.354 1.00 0.46 O ATOM 414 CG2 THR A 28 -29.204 5.988 7.190 1.00 0.45 C ATOM 0 H THR A 28 -27.132 8.435 4.814 1.00 0.31 H new ATOM 0 HA THR A 28 -26.703 6.826 7.152 1.00 0.30 H new ATOM 0 HB THR A 28 -28.965 6.557 5.148 1.00 0.36 H new ATOM 0 HG1 THR A 28 -29.957 8.323 6.351 1.00 0.46 H new ATOM 0 HG21 THR A 28 -30.290 6.073 7.163 1.00 0.45 H new ATOM 0 HG22 THR A 28 -28.916 4.954 7.002 1.00 0.45 H new ATOM 0 HG23 THR A 28 -28.840 6.293 8.171 1.00 0.45 H new ATOM 422 N ALA A 29 -26.334 5.522 4.190 1.00 0.21 N ATOM 423 CA ALA A 29 -25.913 4.330 3.471 1.00 0.22 C ATOM 424 C ALA A 29 -24.521 3.933 3.922 1.00 0.21 C ATOM 425 O ALA A 29 -24.181 2.750 3.989 1.00 0.25 O ATOM 426 CB ALA A 29 -25.939 4.572 1.970 1.00 0.28 C ATOM 0 H ALA A 29 -26.388 6.365 3.618 1.00 0.21 H new ATOM 0 HA ALA A 29 -26.606 3.518 3.692 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -25.621 3.668 1.450 1.00 0.28 H new ATOM 0 HB2 ALA A 29 -26.952 4.831 1.661 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -25.263 5.390 1.722 1.00 0.28 H new ATOM 432 N GLU A 30 -23.730 4.948 4.247 1.00 0.19 N ATOM 433 CA GLU A 30 -22.384 4.759 4.746 1.00 0.20 C ATOM 434 C GLU A 30 -22.406 3.880 5.990 1.00 0.20 C ATOM 435 O GLU A 30 -21.994 2.726 5.957 1.00 0.23 O ATOM 436 CB GLU A 30 -21.780 6.116 5.113 1.00 0.24 C ATOM 437 CG GLU A 30 -20.276 6.074 5.292 1.00 0.35 C ATOM 438 CD GLU A 30 -19.740 7.249 6.084 1.00 0.50 C ATOM 439 OE1 GLU A 30 -19.501 8.321 5.483 1.00 1.14 O ATOM 440 OE2 GLU A 30 -19.556 7.115 7.304 1.00 1.29 O ATOM 0 H GLU A 30 -24.010 5.926 4.170 1.00 0.19 H new ATOM 0 HA GLU A 30 -21.786 4.280 3.971 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -22.026 6.838 4.334 1.00 0.24 H new ATOM 0 HB3 GLU A 30 -22.239 6.473 6.035 1.00 0.24 H new ATOM 0 HG2 GLU A 30 -20.002 5.148 5.797 1.00 0.35 H new ATOM 0 HG3 GLU A 30 -19.800 6.056 4.312 1.00 0.35 H new ATOM 447 N LYS A 31 -23.021 4.417 7.036 1.00 0.20 N ATOM 448 CA LYS A 31 -23.079 3.787 8.357 1.00 0.24 C ATOM 449 C LYS A 31 -23.491 2.310 8.305 1.00 0.22 C ATOM 450 O LYS A 31 -22.907 1.476 8.998 1.00 0.26 O ATOM 451 CB LYS A 31 -24.049 4.561 9.257 1.00 0.29 C ATOM 452 CG LYS A 31 -23.817 6.063 9.257 1.00 0.39 C ATOM 453 CD LYS A 31 -22.356 6.406 9.486 1.00 1.10 C ATOM 454 CE LYS A 31 -22.113 7.897 9.368 1.00 1.86 C ATOM 455 NZ LYS A 31 -20.668 8.230 9.436 1.00 2.42 N ATOM 0 H LYS A 31 -23.502 5.316 6.994 1.00 0.20 H new ATOM 0 HA LYS A 31 -22.069 3.819 8.766 1.00 0.24 H new ATOM 0 HB2 LYS A 31 -25.070 4.360 8.933 1.00 0.29 H new ATOM 0 HB3 LYS A 31 -23.959 4.189 10.277 1.00 0.29 H new ATOM 0 HG2 LYS A 31 -24.144 6.482 8.305 1.00 0.39 H new ATOM 0 HG3 LYS A 31 -24.425 6.525 10.034 1.00 0.39 H new ATOM 0 HD2 LYS A 31 -22.051 6.063 10.475 1.00 1.10 H new ATOM 0 HD3 LYS A 31 -21.738 5.877 8.760 1.00 1.10 H new ATOM 0 HE2 LYS A 31 -22.525 8.258 8.426 1.00 1.86 H new ATOM 0 HE3 LYS A 31 -22.643 8.415 10.167 1.00 1.86 H new ATOM 0 HZ1 LYS A 31 -20.555 9.240 9.658 1.00 2.42 H new ATOM 0 HZ2 LYS A 31 -20.215 7.660 10.178 1.00 2.42 H new ATOM 0 HZ3 LYS A 31 -20.221 8.024 8.520 1.00 2.42 H new ATOM 469 N VAL A 32 -24.466 1.981 7.470 1.00 0.20 N ATOM 470 CA VAL A 32 -24.946 0.605 7.375 1.00 0.22 C ATOM 471 C VAL A 32 -23.928 -0.275 6.655 1.00 0.18 C ATOM 472 O VAL A 32 -23.541 -1.336 7.153 1.00 0.20 O ATOM 473 CB VAL A 32 -26.298 0.527 6.632 1.00 0.25 C ATOM 474 CG1 VAL A 32 -26.804 -0.909 6.563 1.00 0.30 C ATOM 475 CG2 VAL A 32 -27.329 1.431 7.296 1.00 0.29 C ATOM 0 H VAL A 32 -24.939 2.640 6.852 1.00 0.20 H new ATOM 0 HA VAL A 32 -25.084 0.243 8.394 1.00 0.22 H new ATOM 0 HB VAL A 32 -26.142 0.876 5.611 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -27.757 -0.934 6.035 1.00 0.30 H new ATOM 0 HG12 VAL A 32 -26.079 -1.525 6.032 1.00 0.30 H new ATOM 0 HG13 VAL A 32 -26.939 -1.296 7.573 1.00 0.30 H new ATOM 0 HG21 VAL A 32 -28.274 1.362 6.758 1.00 0.29 H new ATOM 0 HG22 VAL A 32 -27.476 1.117 8.329 1.00 0.29 H new ATOM 0 HG23 VAL A 32 -26.975 2.462 7.277 1.00 0.29 H new ATOM 485 N PHE A 33 -23.443 0.202 5.517 1.00 0.16 N ATOM 486 CA PHE A 33 -22.474 -0.550 4.729 1.00 0.15 C ATOM 487 C PHE A 33 -21.125 -0.641 5.442 1.00 0.15 C ATOM 488 O PHE A 33 -20.330 -1.529 5.143 1.00 0.17 O ATOM 489 CB PHE A 33 -22.282 0.061 3.334 1.00 0.17 C ATOM 490 CG PHE A 33 -23.263 -0.419 2.294 1.00 0.17 C ATOM 491 CD1 PHE A 33 -23.636 -1.750 2.239 1.00 1.09 C ATOM 492 CD2 PHE A 33 -23.788 0.459 1.355 1.00 1.01 C ATOM 493 CE1 PHE A 33 -24.513 -2.201 1.270 1.00 1.11 C ATOM 494 CE2 PHE A 33 -24.670 0.013 0.385 1.00 1.02 C ATOM 495 CZ PHE A 33 -25.033 -1.318 0.341 1.00 0.29 C ATOM 0 H PHE A 33 -23.703 1.104 5.119 1.00 0.16 H new ATOM 0 HA PHE A 33 -22.878 -1.556 4.613 1.00 0.15 H new ATOM 0 HB2 PHE A 33 -22.360 1.145 3.414 1.00 0.17 H new ATOM 0 HB3 PHE A 33 -21.272 -0.162 2.991 1.00 0.17 H new ATOM 0 HD1 PHE A 33 -23.237 -2.446 2.962 1.00 1.09 H new ATOM 0 HD2 PHE A 33 -23.505 1.501 1.381 1.00 1.01 H new ATOM 0 HE1 PHE A 33 -24.792 -3.244 1.238 1.00 1.11 H new ATOM 0 HE2 PHE A 33 -25.074 0.707 -0.337 1.00 1.02 H new ATOM 0 HZ PHE A 33 -25.720 -1.668 -0.415 1.00 0.29 H new ATOM 505 N LYS A 34 -20.871 0.262 6.388 1.00 0.16 N ATOM 506 CA LYS A 34 -19.630 0.231 7.148 1.00 0.20 C ATOM 507 C LYS A 34 -19.583 -1.019 8.009 1.00 0.20 C ATOM 508 O LYS A 34 -18.560 -1.687 8.099 1.00 0.22 O ATOM 509 CB LYS A 34 -19.496 1.484 8.031 1.00 0.29 C ATOM 510 CG LYS A 34 -19.418 2.762 7.272 1.00 0.43 C ATOM 511 CD LYS A 34 -18.337 3.616 7.878 1.00 0.38 C ATOM 512 CE LYS A 34 -16.953 3.028 7.622 1.00 0.46 C ATOM 513 NZ LYS A 34 -15.861 3.886 8.162 1.00 1.09 N ATOM 0 H LYS A 34 -21.506 1.018 6.643 1.00 0.16 H new ATOM 0 HA LYS A 34 -18.796 0.217 6.446 1.00 0.20 H new ATOM 0 HB2 LYS A 34 -20.348 1.529 8.709 1.00 0.29 H new ATOM 0 HB3 LYS A 34 -18.603 1.386 8.648 1.00 0.29 H new ATOM 0 HG2 LYS A 34 -19.201 2.566 6.222 1.00 0.43 H new ATOM 0 HG3 LYS A 34 -20.375 3.282 7.308 1.00 0.43 H new ATOM 0 HD2 LYS A 34 -18.389 4.622 7.461 1.00 0.38 H new ATOM 0 HD3 LYS A 34 -18.502 3.707 8.952 1.00 0.38 H new ATOM 0 HE2 LYS A 34 -16.892 2.039 8.076 1.00 0.46 H new ATOM 0 HE3 LYS A 34 -16.810 2.896 6.549 1.00 0.46 H new ATOM 0 HZ1 LYS A 34 -14.941 3.444 7.963 1.00 1.09 H new ATOM 0 HZ2 LYS A 34 -15.900 4.822 7.711 1.00 1.09 H new ATOM 0 HZ3 LYS A 34 -15.979 3.992 9.190 1.00 1.09 H new ATOM 527 N GLN A 35 -20.730 -1.357 8.582 1.00 0.21 N ATOM 528 CA GLN A 35 -20.866 -2.543 9.406 1.00 0.24 C ATOM 529 C GLN A 35 -20.838 -3.774 8.503 1.00 0.21 C ATOM 530 O GLN A 35 -20.280 -4.810 8.861 1.00 0.24 O ATOM 531 CB GLN A 35 -22.180 -2.445 10.232 1.00 0.32 C ATOM 532 CG GLN A 35 -22.482 -3.591 11.217 1.00 0.43 C ATOM 533 CD GLN A 35 -22.961 -4.862 10.542 1.00 1.28 C ATOM 534 OE1 GLN A 35 -23.635 -4.822 9.514 1.00 2.20 O ATOM 535 NE2 GLN A 35 -22.597 -6.001 11.104 1.00 1.82 N ATOM 0 H GLN A 35 -21.589 -0.816 8.487 1.00 0.21 H new ATOM 0 HA GLN A 35 -20.041 -2.627 10.113 1.00 0.24 H new ATOM 0 HB2 GLN A 35 -22.155 -1.513 10.796 1.00 0.32 H new ATOM 0 HB3 GLN A 35 -23.013 -2.372 9.533 1.00 0.32 H new ATOM 0 HG2 GLN A 35 -21.582 -3.812 11.791 1.00 0.43 H new ATOM 0 HG3 GLN A 35 -23.240 -3.259 11.927 1.00 0.43 H new ATOM 0 HE21 GLN A 35 -22.038 -5.993 11.957 1.00 1.82 H new ATOM 0 HE22 GLN A 35 -22.875 -6.888 10.685 1.00 1.82 H new ATOM 544 N TYR A 36 -21.364 -3.615 7.288 1.00 0.19 N ATOM 545 CA TYR A 36 -21.363 -4.684 6.292 1.00 0.18 C ATOM 546 C TYR A 36 -19.934 -5.020 5.867 1.00 0.17 C ATOM 547 O TYR A 36 -19.518 -6.180 5.903 1.00 0.19 O ATOM 548 CB TYR A 36 -22.188 -4.269 5.063 1.00 0.19 C ATOM 549 CG TYR A 36 -22.009 -5.182 3.868 1.00 0.21 C ATOM 550 CD1 TYR A 36 -22.708 -6.375 3.752 1.00 1.21 C ATOM 551 CD2 TYR A 36 -21.128 -4.839 2.857 1.00 1.11 C ATOM 552 CE1 TYR A 36 -22.527 -7.201 2.659 1.00 1.24 C ATOM 553 CE2 TYR A 36 -20.942 -5.654 1.761 1.00 1.12 C ATOM 554 CZ TYR A 36 -21.643 -6.836 1.668 1.00 0.34 C ATOM 555 OH TYR A 36 -21.456 -7.654 0.582 1.00 0.42 O ATOM 0 H TYR A 36 -21.799 -2.749 6.970 1.00 0.19 H new ATOM 0 HA TYR A 36 -21.813 -5.569 6.740 1.00 0.18 H new ATOM 0 HB2 TYR A 36 -23.243 -4.247 5.336 1.00 0.19 H new ATOM 0 HB3 TYR A 36 -21.911 -3.254 4.777 1.00 0.19 H new ATOM 0 HD1 TYR A 36 -23.403 -6.662 4.527 1.00 1.21 H new ATOM 0 HD2 TYR A 36 -20.575 -3.914 2.928 1.00 1.11 H new ATOM 0 HE1 TYR A 36 -23.076 -8.128 2.582 1.00 1.24 H new ATOM 0 HE2 TYR A 36 -20.252 -5.368 0.981 1.00 1.12 H new ATOM 0 HH TYR A 36 -21.221 -7.111 -0.200 1.00 0.42 H new ATOM 565 N ALA A 37 -19.186 -4.002 5.463 1.00 0.15 N ATOM 566 CA ALA A 37 -17.811 -4.187 5.033 1.00 0.16 C ATOM 567 C ALA A 37 -16.947 -4.622 6.210 1.00 0.18 C ATOM 568 O ALA A 37 -16.033 -5.427 6.055 1.00 0.22 O ATOM 569 CB ALA A 37 -17.269 -2.905 4.415 1.00 0.17 C ATOM 0 H ALA A 37 -19.512 -3.036 5.425 1.00 0.15 H new ATOM 0 HA ALA A 37 -17.784 -4.969 4.275 1.00 0.16 H new ATOM 0 HB1 ALA A 37 -16.238 -3.061 4.098 1.00 0.17 H new ATOM 0 HB2 ALA A 37 -17.876 -2.632 3.552 1.00 0.17 H new ATOM 0 HB3 ALA A 37 -17.305 -2.103 5.152 1.00 0.17 H new ATOM 575 N ASN A 38 -17.297 -4.136 7.399 1.00 0.20 N ATOM 576 CA ASN A 38 -16.572 -4.481 8.623 1.00 0.26 C ATOM 577 C ASN A 38 -16.700 -5.972 8.914 1.00 0.28 C ATOM 578 O ASN A 38 -15.731 -6.625 9.304 1.00 0.36 O ATOM 579 CB ASN A 38 -17.098 -3.663 9.820 1.00 0.31 C ATOM 580 CG ASN A 38 -16.263 -3.877 11.079 1.00 0.44 C ATOM 581 OD1 ASN A 38 -15.272 -3.179 11.299 1.00 1.03 O ATOM 582 ND2 ASN A 38 -16.656 -4.829 11.920 1.00 1.39 N ATOM 0 H ASN A 38 -18.081 -3.500 7.542 1.00 0.20 H new ATOM 0 HA ASN A 38 -15.520 -4.239 8.473 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -17.097 -2.604 9.562 1.00 0.31 H new ATOM 0 HB3 ASN A 38 -18.132 -3.941 10.021 1.00 0.31 H new ATOM 0 HD21 ASN A 38 -16.132 -4.999 12.778 1.00 1.39 H new ATOM 0 HD22 ASN A 38 -17.482 -5.389 11.707 1.00 1.39 H new ATOM 589 N ASP A 39 -17.891 -6.513 8.673 1.00 0.30 N ATOM 590 CA ASP A 39 -18.151 -7.941 8.880 1.00 0.38 C ATOM 591 C ASP A 39 -17.365 -8.794 7.882 1.00 0.33 C ATOM 592 O ASP A 39 -16.979 -9.925 8.182 1.00 0.41 O ATOM 593 CB ASP A 39 -19.651 -8.228 8.742 1.00 0.53 C ATOM 594 CG ASP A 39 -19.983 -9.709 8.807 1.00 1.14 C ATOM 595 OD1 ASP A 39 -20.136 -10.331 7.738 1.00 1.78 O ATOM 596 OD2 ASP A 39 -20.104 -10.258 9.925 1.00 1.77 O ATOM 0 H ASP A 39 -18.695 -5.986 8.333 1.00 0.30 H new ATOM 0 HA ASP A 39 -17.824 -8.202 9.886 1.00 0.38 H new ATOM 0 HB2 ASP A 39 -20.189 -7.706 9.533 1.00 0.53 H new ATOM 0 HB3 ASP A 39 -20.007 -7.823 7.794 1.00 0.53 H new ATOM 601 N ASN A 40 -17.068 -8.226 6.719 1.00 0.28 N ATOM 602 CA ASN A 40 -16.343 -8.945 5.682 1.00 0.34 C ATOM 603 C ASN A 40 -14.846 -8.680 5.791 1.00 0.32 C ATOM 604 O ASN A 40 -14.039 -9.275 5.075 1.00 0.46 O ATOM 605 CB ASN A 40 -16.863 -8.554 4.295 1.00 0.42 C ATOM 606 CG ASN A 40 -18.101 -9.341 3.895 1.00 0.92 C ATOM 607 OD1 ASN A 40 -17.995 -10.436 3.344 1.00 1.78 O ATOM 608 ND2 ASN A 40 -19.281 -8.789 4.152 1.00 0.78 N ATOM 0 H ASN A 40 -17.319 -7.269 6.472 1.00 0.28 H new ATOM 0 HA ASN A 40 -16.510 -10.013 5.822 1.00 0.34 H new ATOM 0 HB2 ASN A 40 -17.094 -7.489 4.284 1.00 0.42 H new ATOM 0 HB3 ASN A 40 -16.078 -8.718 3.557 1.00 0.42 H new ATOM 0 HD21 ASN A 40 -20.139 -9.275 3.891 1.00 0.78 H new ATOM 0 HD22 ASN A 40 -19.329 -7.879 4.611 1.00 0.78 H new ATOM 615 N GLY A 41 -14.483 -7.781 6.699 1.00 0.25 N ATOM 616 CA GLY A 41 -13.087 -7.476 6.936 1.00 0.33 C ATOM 617 C GLY A 41 -12.503 -6.495 5.940 1.00 0.28 C ATOM 618 O GLY A 41 -11.285 -6.351 5.852 1.00 0.37 O ATOM 0 H GLY A 41 -15.137 -7.255 7.278 1.00 0.25 H new ATOM 0 HA2 GLY A 41 -12.978 -7.068 7.941 1.00 0.33 H new ATOM 0 HA3 GLY A 41 -12.511 -8.401 6.903 1.00 0.33 H new ATOM 622 N VAL A 42 -13.355 -5.813 5.187 1.00 0.23 N ATOM 623 CA VAL A 42 -12.886 -4.864 4.198 1.00 0.26 C ATOM 624 C VAL A 42 -12.906 -3.450 4.748 1.00 0.36 C ATOM 625 O VAL A 42 -13.937 -2.962 5.213 1.00 0.46 O ATOM 626 CB VAL A 42 -13.730 -4.916 2.916 1.00 0.28 C ATOM 627 CG1 VAL A 42 -13.168 -3.953 1.883 1.00 0.35 C ATOM 628 CG2 VAL A 42 -13.757 -6.323 2.368 1.00 0.29 C ATOM 0 H VAL A 42 -14.370 -5.901 5.245 1.00 0.23 H new ATOM 0 HA VAL A 42 -11.861 -5.145 3.955 1.00 0.26 H new ATOM 0 HB VAL A 42 -14.751 -4.617 3.151 1.00 0.28 H new ATOM 0 HG11 VAL A 42 -13.773 -3.997 0.977 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -13.186 -2.939 2.283 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -12.141 -4.231 1.647 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -14.358 -6.348 1.459 1.00 0.29 H new ATOM 0 HG22 VAL A 42 -12.741 -6.644 2.140 1.00 0.29 H new ATOM 0 HG23 VAL A 42 -14.192 -6.994 3.109 1.00 0.29 H new ATOM 638 N ASP A 43 -11.751 -2.809 4.719 1.00 0.42 N ATOM 639 CA ASP A 43 -11.625 -1.430 5.175 1.00 0.55 C ATOM 640 C ASP A 43 -10.662 -0.672 4.263 1.00 0.47 C ATOM 641 O ASP A 43 -9.628 -1.216 3.861 1.00 0.68 O ATOM 642 CB ASP A 43 -11.136 -1.367 6.628 1.00 0.80 C ATOM 643 CG ASP A 43 -11.168 0.046 7.182 1.00 1.29 C ATOM 644 OD1 ASP A 43 -12.051 0.826 6.778 1.00 1.86 O ATOM 645 OD2 ASP A 43 -10.310 0.380 8.032 1.00 1.80 O ATOM 0 H ASP A 43 -10.881 -3.221 4.383 1.00 0.42 H new ATOM 0 HA ASP A 43 -12.609 -0.964 5.133 1.00 0.55 H new ATOM 0 HB2 ASP A 43 -11.758 -2.013 7.248 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -10.119 -1.755 6.685 1.00 0.80 H new ATOM 650 N GLY A 44 -11.020 0.559 3.909 1.00 0.43 N ATOM 651 CA GLY A 44 -10.221 1.344 2.990 1.00 0.37 C ATOM 652 C GLY A 44 -10.861 2.691 2.732 1.00 0.34 C ATOM 653 O GLY A 44 -11.781 3.087 3.452 1.00 0.38 O ATOM 0 H GLY A 44 -11.859 1.029 4.248 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -9.221 1.485 3.400 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -10.107 0.805 2.049 1.00 0.37 H new ATOM 657 N GLU A 45 -10.342 3.427 1.759 1.00 0.34 N ATOM 658 CA GLU A 45 -10.918 4.717 1.395 1.00 0.35 C ATOM 659 C GLU A 45 -12.322 4.536 0.846 1.00 0.29 C ATOM 660 O GLU A 45 -12.619 3.536 0.186 1.00 0.43 O ATOM 661 CB GLU A 45 -10.056 5.437 0.364 1.00 0.45 C ATOM 662 CG GLU A 45 -8.763 5.994 0.924 1.00 1.27 C ATOM 663 CD GLU A 45 -7.956 6.720 -0.132 1.00 2.01 C ATOM 664 OE1 GLU A 45 -8.455 7.726 -0.684 1.00 2.79 O ATOM 665 OE2 GLU A 45 -6.819 6.293 -0.413 1.00 2.57 O ATOM 0 H GLU A 45 -9.527 3.156 1.209 1.00 0.34 H new ATOM 0 HA GLU A 45 -10.959 5.326 2.298 1.00 0.35 H new ATOM 0 HB2 GLU A 45 -9.822 4.745 -0.445 1.00 0.45 H new ATOM 0 HB3 GLU A 45 -10.633 6.253 -0.071 1.00 0.45 H new ATOM 0 HG2 GLU A 45 -8.987 6.677 1.743 1.00 1.27 H new ATOM 0 HG3 GLU A 45 -8.168 5.181 1.340 1.00 1.27 H new ATOM 672 N TRP A 46 -13.166 5.520 1.096 1.00 0.22 N ATOM 673 CA TRP A 46 -14.553 5.459 0.670 1.00 0.24 C ATOM 674 C TRP A 46 -14.835 6.491 -0.409 1.00 0.28 C ATOM 675 O TRP A 46 -14.723 7.696 -0.178 1.00 0.41 O ATOM 676 CB TRP A 46 -15.511 5.654 1.858 1.00 0.31 C ATOM 677 CG TRP A 46 -15.787 4.376 2.601 1.00 0.29 C ATOM 678 CD1 TRP A 46 -14.847 3.571 3.181 1.00 0.32 C ATOM 679 CD2 TRP A 46 -17.066 3.746 2.856 1.00 0.28 C ATOM 680 NE1 TRP A 46 -15.444 2.477 3.750 1.00 0.34 N ATOM 681 CE2 TRP A 46 -16.797 2.565 3.576 1.00 0.31 C ATOM 682 CE3 TRP A 46 -18.409 4.048 2.559 1.00 0.29 C ATOM 683 CZ2 TRP A 46 -17.795 1.693 3.985 1.00 0.35 C ATOM 684 CZ3 TRP A 46 -19.396 3.179 2.979 1.00 0.32 C ATOM 685 CH2 TRP A 46 -19.085 2.015 3.687 1.00 0.35 C ATOM 0 H TRP A 46 -12.915 6.374 1.594 1.00 0.22 H new ATOM 0 HA TRP A 46 -14.725 4.466 0.254 1.00 0.24 H new ATOM 0 HB2 TRP A 46 -15.085 6.384 2.546 1.00 0.31 H new ATOM 0 HB3 TRP A 46 -16.452 6.069 1.496 1.00 0.31 H new ATOM 0 HD1 TRP A 46 -13.785 3.769 3.190 1.00 0.32 H new ATOM 0 HE1 TRP A 46 -14.957 1.718 4.227 1.00 0.34 H new ATOM 0 HE3 TRP A 46 -18.662 4.944 2.012 1.00 0.29 H new ATOM 0 HZ2 TRP A 46 -17.557 0.787 4.523 1.00 0.35 H new ATOM 0 HZ3 TRP A 46 -20.429 3.403 2.756 1.00 0.32 H new ATOM 0 HH2 TRP A 46 -19.882 1.358 4.004 1.00 0.35 H new ATOM 696 N THR A 47 -15.182 6.014 -1.592 1.00 0.29 N ATOM 697 CA THR A 47 -15.501 6.883 -2.708 1.00 0.35 C ATOM 698 C THR A 47 -17.005 6.869 -2.979 1.00 0.31 C ATOM 699 O THR A 47 -17.694 5.916 -2.610 1.00 0.28 O ATOM 700 CB THR A 47 -14.727 6.457 -3.971 1.00 0.43 C ATOM 701 OG1 THR A 47 -14.786 5.033 -4.132 1.00 0.53 O ATOM 702 CG2 THR A 47 -13.279 6.914 -3.881 1.00 0.63 C ATOM 0 H THR A 47 -15.250 5.019 -1.804 1.00 0.29 H new ATOM 0 HA THR A 47 -15.201 7.898 -2.448 1.00 0.35 H new ATOM 0 HB THR A 47 -15.190 6.928 -4.838 1.00 0.43 H new ATOM 0 HG1 THR A 47 -14.292 4.774 -4.938 1.00 0.53 H new ATOM 0 HG21 THR A 47 -12.744 6.607 -4.779 1.00 0.63 H new ATOM 0 HG22 THR A 47 -13.245 8.000 -3.792 1.00 0.63 H new ATOM 0 HG23 THR A 47 -12.809 6.464 -3.007 1.00 0.63 H new ATOM 710 N TYR A 48 -17.513 7.915 -3.627 1.00 0.38 N ATOM 711 CA TYR A 48 -18.945 8.022 -3.905 1.00 0.37 C ATOM 712 C TYR A 48 -19.182 8.739 -5.232 1.00 0.42 C ATOM 713 O TYR A 48 -18.456 9.667 -5.585 1.00 0.51 O ATOM 714 CB TYR A 48 -19.688 8.750 -2.751 1.00 0.41 C ATOM 715 CG TYR A 48 -21.076 9.281 -3.112 1.00 0.44 C ATOM 716 CD1 TYR A 48 -21.258 10.619 -3.438 1.00 1.14 C ATOM 717 CD2 TYR A 48 -22.203 8.444 -3.139 1.00 1.15 C ATOM 718 CE1 TYR A 48 -22.504 11.112 -3.778 1.00 1.18 C ATOM 719 CE2 TYR A 48 -23.450 8.936 -3.478 1.00 1.18 C ATOM 720 CZ TYR A 48 -23.622 10.230 -3.746 1.00 0.61 C ATOM 721 OH TYR A 48 -24.842 10.759 -4.130 1.00 0.70 O ATOM 0 H TYR A 48 -16.957 8.699 -3.969 1.00 0.38 H new ATOM 0 HA TYR A 48 -19.348 7.012 -3.979 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -19.785 8.063 -1.911 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -19.073 9.584 -2.412 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -20.410 11.287 -3.426 1.00 1.14 H new ATOM 0 HD2 TYR A 48 -22.094 7.399 -2.891 1.00 1.15 H new ATOM 0 HE1 TYR A 48 -22.627 12.147 -4.063 1.00 1.18 H new ATOM 0 HE2 TYR A 48 -24.294 8.264 -3.526 1.00 1.18 H new ATOM 0 HH TYR A 48 -24.694 11.551 -4.688 1.00 0.70 H new ATOM 731 N ASP A 49 -20.180 8.286 -5.976 1.00 0.42 N ATOM 732 CA ASP A 49 -20.540 8.927 -7.244 1.00 0.51 C ATOM 733 C ASP A 49 -21.997 9.353 -7.153 1.00 0.53 C ATOM 734 O ASP A 49 -22.820 8.605 -6.634 1.00 0.55 O ATOM 735 CB ASP A 49 -20.321 7.987 -8.453 1.00 0.57 C ATOM 736 CG ASP A 49 -20.698 8.636 -9.766 1.00 1.22 C ATOM 737 OD1 ASP A 49 -19.876 9.417 -10.296 1.00 2.07 O ATOM 738 OD2 ASP A 49 -21.804 8.366 -10.274 1.00 1.52 O ATOM 0 H ASP A 49 -20.756 7.481 -5.730 1.00 0.42 H new ATOM 0 HA ASP A 49 -19.895 9.791 -7.406 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -19.275 7.684 -8.488 1.00 0.57 H new ATOM 0 HB3 ASP A 49 -20.911 7.081 -8.316 1.00 0.57 H new ATOM 743 N ASP A 50 -22.327 10.537 -7.655 1.00 0.68 N ATOM 744 CA ASP A 50 -23.682 11.068 -7.481 1.00 0.76 C ATOM 745 C ASP A 50 -24.614 10.577 -8.573 1.00 0.73 C ATOM 746 O ASP A 50 -25.806 10.386 -8.342 1.00 0.84 O ATOM 747 CB ASP A 50 -23.675 12.604 -7.464 1.00 1.00 C ATOM 748 CG ASP A 50 -25.048 13.174 -7.164 1.00 1.56 C ATOM 749 OD1 ASP A 50 -25.450 14.147 -7.841 1.00 2.28 O ATOM 750 OD2 ASP A 50 -25.732 12.644 -6.265 1.00 2.15 O ATOM 0 H ASP A 50 -21.692 11.141 -8.177 1.00 0.68 H new ATOM 0 HA ASP A 50 -24.047 10.704 -6.521 1.00 0.76 H new ATOM 0 HB2 ASP A 50 -22.965 12.955 -6.715 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -23.331 12.976 -8.429 1.00 1.00 H new ATOM 755 N ALA A 51 -24.068 10.343 -9.753 1.00 0.70 N ATOM 756 CA ALA A 51 -24.870 9.893 -10.879 1.00 0.78 C ATOM 757 C ALA A 51 -25.357 8.461 -10.677 1.00 0.75 C ATOM 758 O ALA A 51 -26.432 8.090 -11.148 1.00 0.91 O ATOM 759 CB ALA A 51 -24.079 10.010 -12.173 1.00 0.91 C ATOM 0 H ALA A 51 -23.075 10.456 -9.957 1.00 0.70 H new ATOM 0 HA ALA A 51 -25.747 10.537 -10.945 1.00 0.78 H new ATOM 0 HB1 ALA A 51 -24.693 9.669 -13.007 1.00 0.91 H new ATOM 0 HB2 ALA A 51 -23.795 11.050 -12.333 1.00 0.91 H new ATOM 0 HB3 ALA A 51 -23.182 9.395 -12.108 1.00 0.91 H new ATOM 765 N THR A 52 -24.570 7.663 -9.970 1.00 0.63 N ATOM 766 CA THR A 52 -24.915 6.267 -9.753 1.00 0.65 C ATOM 767 C THR A 52 -25.290 5.939 -8.298 1.00 0.55 C ATOM 768 O THR A 52 -25.923 4.913 -8.050 1.00 0.62 O ATOM 769 CB THR A 52 -23.749 5.365 -10.199 1.00 0.74 C ATOM 770 OG1 THR A 52 -22.515 5.855 -9.654 1.00 1.06 O ATOM 771 CG2 THR A 52 -23.645 5.306 -11.715 1.00 1.19 C ATOM 0 H THR A 52 -23.693 7.957 -9.539 1.00 0.63 H new ATOM 0 HA THR A 52 -25.804 6.076 -10.354 1.00 0.65 H new ATOM 0 HB THR A 52 -23.943 4.359 -9.828 1.00 0.74 H new ATOM 0 HG1 THR A 52 -22.214 6.631 -10.171 1.00 1.06 H new ATOM 0 HG21 THR A 52 -22.813 4.662 -11.998 1.00 1.19 H new ATOM 0 HG22 THR A 52 -24.571 4.905 -12.128 1.00 1.19 H new ATOM 0 HG23 THR A 52 -23.477 6.309 -12.107 1.00 1.19 H new ATOM 779 N LYS A 53 -24.927 6.817 -7.350 1.00 0.47 N ATOM 780 CA LYS A 53 -25.160 6.570 -5.902 1.00 0.46 C ATOM 781 C LYS A 53 -24.325 5.390 -5.409 1.00 0.39 C ATOM 782 O LYS A 53 -24.555 4.858 -4.323 1.00 0.49 O ATOM 783 CB LYS A 53 -26.644 6.316 -5.583 1.00 0.59 C ATOM 784 CG LYS A 53 -27.407 7.570 -5.167 1.00 0.81 C ATOM 785 CD LYS A 53 -27.368 8.667 -6.223 1.00 0.87 C ATOM 786 CE LYS A 53 -28.002 9.946 -5.698 1.00 1.57 C ATOM 787 NZ LYS A 53 -27.944 11.054 -6.685 1.00 2.08 N ATOM 0 H LYS A 53 -24.470 7.707 -7.551 1.00 0.47 H new ATOM 0 HA LYS A 53 -24.853 7.477 -5.381 1.00 0.46 H new ATOM 0 HB2 LYS A 53 -27.126 5.883 -6.460 1.00 0.59 H new ATOM 0 HB3 LYS A 53 -26.713 5.578 -4.784 1.00 0.59 H new ATOM 0 HG2 LYS A 53 -28.445 7.306 -4.963 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -26.986 7.953 -4.237 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -26.336 8.861 -6.514 1.00 0.87 H new ATOM 0 HD3 LYS A 53 -27.895 8.335 -7.118 1.00 0.87 H new ATOM 0 HE2 LYS A 53 -29.042 9.751 -5.435 1.00 1.57 H new ATOM 0 HE3 LYS A 53 -27.494 10.251 -4.783 1.00 1.57 H new ATOM 0 HZ1 LYS A 53 -27.381 11.837 -6.296 1.00 2.08 H new ATOM 0 HZ2 LYS A 53 -27.503 10.714 -7.563 1.00 2.08 H new ATOM 0 HZ3 LYS A 53 -28.907 11.389 -6.888 1.00 2.08 H new ATOM 801 N THR A 54 -23.363 4.988 -6.219 1.00 0.34 N ATOM 802 CA THR A 54 -22.494 3.879 -5.886 1.00 0.31 C ATOM 803 C THR A 54 -21.415 4.278 -4.871 1.00 0.28 C ATOM 804 O THR A 54 -20.683 5.250 -5.072 1.00 0.35 O ATOM 805 CB THR A 54 -21.802 3.328 -7.152 1.00 0.38 C ATOM 806 OG1 THR A 54 -22.771 3.151 -8.195 1.00 0.51 O ATOM 807 CG2 THR A 54 -21.126 1.988 -6.861 1.00 0.41 C ATOM 0 H THR A 54 -23.164 5.420 -7.121 1.00 0.34 H new ATOM 0 HA THR A 54 -23.126 3.111 -5.441 1.00 0.31 H new ATOM 0 HB THR A 54 -21.043 4.044 -7.467 1.00 0.38 H new ATOM 0 HG1 THR A 54 -22.328 2.803 -8.997 1.00 0.51 H new ATOM 0 HG21 THR A 54 -20.645 1.619 -7.767 1.00 0.41 H new ATOM 0 HG22 THR A 54 -20.377 2.120 -6.081 1.00 0.41 H new ATOM 0 HG23 THR A 54 -21.874 1.268 -6.528 1.00 0.41 H new ATOM 815 N TYR A 55 -21.374 3.564 -3.754 1.00 0.21 N ATOM 816 CA TYR A 55 -20.309 3.731 -2.772 1.00 0.21 C ATOM 817 C TYR A 55 -19.253 2.660 -3.029 1.00 0.21 C ATOM 818 O TYR A 55 -19.591 1.510 -3.315 1.00 0.24 O ATOM 819 CB TYR A 55 -20.827 3.616 -1.323 1.00 0.24 C ATOM 820 CG TYR A 55 -21.307 4.915 -0.724 1.00 0.30 C ATOM 821 CD1 TYR A 55 -22.588 5.396 -0.956 1.00 1.14 C ATOM 822 CD2 TYR A 55 -20.466 5.654 0.089 1.00 1.06 C ATOM 823 CE1 TYR A 55 -23.012 6.585 -0.393 1.00 1.19 C ATOM 824 CE2 TYR A 55 -20.880 6.841 0.652 1.00 1.12 C ATOM 825 CZ TYR A 55 -22.151 7.305 0.407 1.00 0.56 C ATOM 826 OH TYR A 55 -22.561 8.491 0.967 1.00 0.70 O ATOM 0 H TYR A 55 -22.069 2.860 -3.504 1.00 0.21 H new ATOM 0 HA TYR A 55 -19.889 4.731 -2.881 1.00 0.21 H new ATOM 0 HB2 TYR A 55 -21.645 2.896 -1.299 1.00 0.24 H new ATOM 0 HB3 TYR A 55 -20.030 3.214 -0.697 1.00 0.24 H new ATOM 0 HD1 TYR A 55 -23.263 4.834 -1.585 1.00 1.14 H new ATOM 0 HD2 TYR A 55 -19.467 5.294 0.286 1.00 1.06 H new ATOM 0 HE1 TYR A 55 -24.012 6.948 -0.579 1.00 1.19 H new ATOM 0 HE2 TYR A 55 -20.209 7.405 1.283 1.00 1.12 H new ATOM 0 HH TYR A 55 -23.213 8.310 1.676 1.00 0.70 H new ATOM 836 N THR A 56 -17.988 3.033 -3.002 1.00 0.24 N ATOM 837 CA THR A 56 -16.926 2.074 -3.261 1.00 0.29 C ATOM 838 C THR A 56 -15.856 2.115 -2.175 1.00 0.25 C ATOM 839 O THR A 56 -15.359 3.182 -1.815 1.00 0.28 O ATOM 840 CB THR A 56 -16.284 2.322 -4.645 1.00 0.38 C ATOM 841 OG1 THR A 56 -17.287 2.225 -5.668 1.00 0.96 O ATOM 842 CG2 THR A 56 -15.173 1.311 -4.925 1.00 0.74 C ATOM 0 H THR A 56 -17.670 3.982 -2.806 1.00 0.24 H new ATOM 0 HA THR A 56 -17.379 1.082 -3.255 1.00 0.29 H new ATOM 0 HB THR A 56 -15.849 3.322 -4.645 1.00 0.38 H new ATOM 0 HG1 THR A 56 -16.877 2.384 -6.544 1.00 0.96 H new ATOM 0 HG21 THR A 56 -14.739 1.509 -5.905 1.00 0.74 H new ATOM 0 HG22 THR A 56 -14.400 1.399 -4.162 1.00 0.74 H new ATOM 0 HG23 THR A 56 -15.586 0.302 -4.908 1.00 0.74 H new ATOM 850 N VAL A 57 -15.522 0.941 -1.649 1.00 0.24 N ATOM 851 CA VAL A 57 -14.475 0.835 -0.640 1.00 0.23 C ATOM 852 C VAL A 57 -13.243 0.192 -1.278 1.00 0.24 C ATOM 853 O VAL A 57 -13.295 -0.935 -1.776 1.00 0.30 O ATOM 854 CB VAL A 57 -14.920 0.066 0.654 1.00 0.25 C ATOM 855 CG1 VAL A 57 -15.310 -1.387 0.387 1.00 0.28 C ATOM 856 CG2 VAL A 57 -13.821 0.122 1.701 1.00 0.27 C ATOM 0 H VAL A 57 -15.958 0.055 -1.903 1.00 0.24 H new ATOM 0 HA VAL A 57 -14.239 1.843 -0.297 1.00 0.23 H new ATOM 0 HB VAL A 57 -15.814 0.570 1.022 1.00 0.25 H new ATOM 0 HG11 VAL A 57 -15.607 -1.862 1.322 1.00 0.28 H new ATOM 0 HG12 VAL A 57 -16.143 -1.417 -0.316 1.00 0.28 H new ATOM 0 HG13 VAL A 57 -14.459 -1.920 -0.036 1.00 0.28 H new ATOM 0 HG21 VAL A 57 -14.141 -0.415 2.594 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -12.917 -0.340 1.305 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -13.615 1.161 1.957 1.00 0.27 H new ATOM 866 N THR A 58 -12.178 0.972 -1.386 1.00 0.26 N ATOM 867 CA THR A 58 -10.962 0.517 -2.041 1.00 0.30 C ATOM 868 C THR A 58 -9.900 0.132 -1.019 1.00 0.32 C ATOM 869 O THR A 58 -9.560 0.920 -0.131 1.00 0.36 O ATOM 870 CB THR A 58 -10.419 1.609 -2.982 1.00 0.40 C ATOM 871 OG1 THR A 58 -11.513 2.160 -3.726 1.00 0.41 O ATOM 872 CG2 THR A 58 -9.390 1.036 -3.946 1.00 0.52 C ATOM 0 H THR A 58 -12.132 1.926 -1.027 1.00 0.26 H new ATOM 0 HA THR A 58 -11.208 -0.368 -2.628 1.00 0.30 H new ATOM 0 HB THR A 58 -9.934 2.382 -2.385 1.00 0.40 H new ATOM 0 HG1 THR A 58 -11.180 2.858 -4.328 1.00 0.41 H new ATOM 0 HG21 THR A 58 -9.023 1.828 -4.599 1.00 0.52 H new ATOM 0 HG22 THR A 58 -8.558 0.615 -3.382 1.00 0.52 H new ATOM 0 HG23 THR A 58 -9.852 0.254 -4.549 1.00 0.52 H new ATOM 880 N GLU A 59 -9.403 -1.088 -1.131 1.00 0.35 N ATOM 881 CA GLU A 59 -8.415 -1.603 -0.191 1.00 0.42 C ATOM 882 C GLU A 59 -6.996 -1.151 -0.587 1.00 0.53 C ATOM 883 O GLU A 59 -6.347 -1.793 -1.416 1.00 0.75 O ATOM 884 CB GLU A 59 -8.522 -3.148 -0.139 1.00 0.44 C ATOM 885 CG GLU A 59 -7.872 -3.842 1.060 1.00 0.78 C ATOM 886 CD GLU A 59 -6.361 -3.706 1.120 1.00 1.79 C ATOM 887 OE1 GLU A 59 -5.662 -4.622 0.637 1.00 2.34 O ATOM 888 OE2 GLU A 59 -5.867 -2.698 1.671 1.00 2.56 O ATOM 0 H GLU A 59 -9.667 -1.745 -1.866 1.00 0.35 H new ATOM 0 HA GLU A 59 -8.614 -1.202 0.803 1.00 0.42 H new ATOM 0 HB2 GLU A 59 -9.578 -3.417 -0.156 1.00 0.44 H new ATOM 0 HB3 GLU A 59 -8.076 -3.551 -1.048 1.00 0.44 H new ATOM 0 HG2 GLU A 59 -8.298 -3.433 1.976 1.00 0.78 H new ATOM 0 HG3 GLU A 59 -8.129 -4.901 1.034 1.00 0.78 H new ATOM 895 N GLY A 60 -6.580 0.022 -0.089 1.00 0.79 N ATOM 896 CA GLY A 60 -5.207 0.471 -0.273 1.00 0.91 C ATOM 897 C GLY A 60 -4.930 1.156 -1.600 1.00 1.48 C ATOM 898 O GLY A 60 -5.602 0.908 -2.608 1.00 2.32 O ATOM 0 H GLY A 60 -7.172 0.665 0.437 1.00 0.79 H new ATOM 0 HA2 GLY A 60 -4.954 1.159 0.534 1.00 0.91 H new ATOM 0 HA3 GLY A 60 -4.543 -0.389 -0.179 1.00 0.91 H new ATOM 902 N SER A 61 -3.929 2.032 -1.590 1.00 1.79 N ATOM 903 CA SER A 61 -3.479 2.705 -2.801 1.00 2.75 C ATOM 904 C SER A 61 -2.195 2.049 -3.299 1.00 2.84 C ATOM 905 O SER A 61 -2.100 1.651 -4.461 1.00 3.18 O ATOM 906 CB SER A 61 -3.242 4.193 -2.539 1.00 3.69 C ATOM 907 OG SER A 61 -4.415 4.816 -2.042 1.00 4.41 O ATOM 0 H SER A 61 -3.412 2.292 -0.750 1.00 1.79 H new ATOM 0 HA SER A 61 -4.254 2.614 -3.563 1.00 2.75 H new ATOM 0 HB2 SER A 61 -2.430 4.315 -1.822 1.00 3.69 H new ATOM 0 HB3 SER A 61 -2.929 4.683 -3.461 1.00 3.69 H new ATOM 0 HG SER A 61 -4.238 5.766 -1.881 1.00 4.41 H new ATOM 913 N GLY A 62 -1.214 1.930 -2.410 1.00 3.15 N ATOM 914 CA GLY A 62 0.031 1.275 -2.759 1.00 3.63 C ATOM 915 C GLY A 62 1.049 2.230 -3.367 1.00 4.11 C ATOM 916 O GLY A 62 0.779 2.837 -4.402 1.00 4.49 O ATOM 0 H GLY A 62 -1.261 2.277 -1.452 1.00 3.15 H new ATOM 0 HA2 GLY A 62 0.457 0.816 -1.867 1.00 3.63 H new ATOM 0 HA3 GLY A 62 -0.173 0.470 -3.465 1.00 3.63 H new ATOM 920 N GLY A 63 2.221 2.360 -2.743 1.00 4.57 N ATOM 921 CA GLY A 63 3.252 3.227 -3.291 1.00 5.36 C ATOM 922 C GLY A 63 4.134 2.501 -4.284 1.00 5.56 C ATOM 923 O GLY A 63 5.155 3.034 -4.728 1.00 6.24 O ATOM 0 H GLY A 63 2.472 1.885 -1.876 1.00 4.57 H new ATOM 0 HA2 GLY A 63 2.785 4.083 -3.779 1.00 5.36 H new ATOM 0 HA3 GLY A 63 3.866 3.619 -2.480 1.00 5.36 H new ATOM 927 N ALA A 64 3.742 1.268 -4.598 1.00 5.28 N ATOM 928 CA ALA A 64 4.452 0.416 -5.549 1.00 5.82 C ATOM 929 C ALA A 64 5.811 -0.019 -5.009 1.00 6.16 C ATOM 930 O ALA A 64 6.239 0.402 -3.929 1.00 6.23 O ATOM 931 CB ALA A 64 4.600 1.104 -6.905 1.00 6.29 C ATOM 0 H ALA A 64 2.914 0.828 -4.195 1.00 5.28 H new ATOM 0 HA ALA A 64 3.850 -0.482 -5.690 1.00 5.82 H new ATOM 0 HB1 ALA A 64 5.132 0.445 -7.591 1.00 6.29 H new ATOM 0 HB2 ALA A 64 3.613 1.328 -7.309 1.00 6.29 H new ATOM 0 HB3 ALA A 64 5.161 2.031 -6.784 1.00 6.29 H new ATOM 937 N GLY A 65 6.462 -0.902 -5.750 1.00 6.75 N ATOM 938 CA GLY A 65 7.762 -1.398 -5.363 1.00 7.43 C ATOM 939 C GLY A 65 8.817 -1.072 -6.403 1.00 8.04 C ATOM 940 O GLY A 65 8.485 -0.633 -7.506 1.00 8.41 O ATOM 0 H GLY A 65 6.105 -1.287 -6.624 1.00 6.75 H new ATOM 0 HA2 GLY A 65 8.048 -0.963 -4.405 1.00 7.43 H new ATOM 0 HA3 GLY A 65 7.712 -2.477 -5.220 1.00 7.43 H new ATOM 944 N GLY A 66 10.081 -1.310 -6.063 1.00 8.36 N ATOM 945 CA GLY A 66 11.172 -1.018 -6.977 1.00 9.12 C ATOM 946 C GLY A 66 11.250 -2.001 -8.127 1.00 9.70 C ATOM 947 O GLY A 66 11.565 -1.616 -9.255 1.00 10.44 O ATOM 0 H GLY A 66 10.370 -1.702 -5.167 1.00 8.36 H new ATOM 0 HA2 GLY A 66 11.049 -0.010 -7.374 1.00 9.12 H new ATOM 0 HA3 GLY A 66 12.114 -1.031 -6.428 1.00 9.12 H new ATOM 951 N GLN A 67 10.957 -3.268 -7.838 1.00 9.54 N ATOM 952 CA GLN A 67 11.000 -4.332 -8.838 1.00 10.26 C ATOM 953 C GLN A 67 12.422 -4.542 -9.352 1.00 10.54 C ATOM 954 O GLN A 67 13.369 -3.915 -8.870 1.00 10.70 O ATOM 955 CB GLN A 67 10.051 -4.034 -10.013 1.00 10.71 C ATOM 956 CG GLN A 67 8.586 -3.988 -9.612 1.00 11.09 C ATOM 957 CD GLN A 67 7.664 -3.820 -10.800 1.00 11.64 C ATOM 958 OE1 GLN A 67 7.973 -4.254 -11.908 1.00 11.68 O ATOM 959 NE2 GLN A 67 6.527 -3.191 -10.576 1.00 12.25 N ATOM 0 H GLN A 67 10.684 -3.584 -6.907 1.00 9.54 H new ATOM 0 HA GLN A 67 10.666 -5.249 -8.352 1.00 10.26 H new ATOM 0 HB2 GLN A 67 10.327 -3.079 -10.460 1.00 10.71 H new ATOM 0 HB3 GLN A 67 10.186 -4.796 -10.781 1.00 10.71 H new ATOM 0 HG2 GLN A 67 8.329 -4.906 -9.084 1.00 11.09 H new ATOM 0 HG3 GLN A 67 8.429 -3.164 -8.915 1.00 11.09 H new ATOM 0 HE21 GLN A 67 6.310 -2.847 -9.641 1.00 12.25 H new ATOM 0 HE22 GLN A 67 5.864 -3.049 -11.338 1.00 12.25 H new ATOM 968 N GLY A 68 12.567 -5.465 -10.288 1.00 10.79 N ATOM 969 CA GLY A 68 13.863 -5.729 -10.880 1.00 11.26 C ATOM 970 C GLY A 68 14.530 -6.971 -10.319 1.00 11.69 C ATOM 971 O GLY A 68 13.970 -7.655 -9.459 1.00 11.72 O ATOM 0 H GLY A 68 11.807 -6.040 -10.651 1.00 10.79 H new ATOM 0 HA2 GLY A 68 13.748 -5.841 -11.958 1.00 11.26 H new ATOM 0 HA3 GLY A 68 14.513 -4.869 -10.717 1.00 11.26 H new ATOM 975 N MET A 69 15.725 -7.263 -10.813 1.00 12.22 N ATOM 976 CA MET A 69 16.493 -8.419 -10.365 1.00 12.82 C ATOM 977 C MET A 69 17.988 -8.113 -10.478 1.00 13.10 C ATOM 978 O MET A 69 18.508 -7.949 -11.583 1.00 13.24 O ATOM 979 CB MET A 69 16.137 -9.664 -11.189 1.00 13.26 C ATOM 980 CG MET A 69 16.849 -10.934 -10.741 1.00 13.52 C ATOM 981 SD MET A 69 16.427 -11.422 -9.054 1.00 14.03 S ATOM 982 CE MET A 69 17.288 -12.991 -8.941 1.00 14.29 C ATOM 0 H MET A 69 16.189 -6.709 -11.533 1.00 12.22 H new ATOM 0 HA MET A 69 16.245 -8.625 -9.324 1.00 12.82 H new ATOM 0 HB2 MET A 69 15.060 -9.826 -11.135 1.00 13.26 H new ATOM 0 HB3 MET A 69 16.379 -9.475 -12.235 1.00 13.26 H new ATOM 0 HG2 MET A 69 16.595 -11.746 -11.422 1.00 13.52 H new ATOM 0 HG3 MET A 69 17.926 -10.784 -10.811 1.00 13.52 H new ATOM 0 HE1 MET A 69 16.734 -13.663 -8.286 1.00 14.29 H new ATOM 0 HE2 MET A 69 17.367 -13.435 -9.933 1.00 14.29 H new ATOM 0 HE3 MET A 69 18.287 -12.830 -8.535 1.00 14.29 H new ATOM 992 N ILE A 70 18.670 -8.027 -9.336 1.00 13.36 N ATOM 993 CA ILE A 70 20.085 -7.658 -9.303 1.00 13.79 C ATOM 994 C ILE A 70 20.849 -8.606 -8.371 1.00 14.28 C ATOM 995 O ILE A 70 20.870 -8.400 -7.152 1.00 14.51 O ATOM 996 CB ILE A 70 20.276 -6.190 -8.799 1.00 13.60 C ATOM 997 CG1 ILE A 70 19.506 -5.200 -9.685 1.00 13.34 C ATOM 998 CG2 ILE A 70 21.760 -5.799 -8.741 1.00 14.13 C ATOM 999 CD1 ILE A 70 20.039 -5.085 -11.104 1.00 13.69 C ATOM 0 H ILE A 70 18.263 -8.209 -8.418 1.00 13.36 H new ATOM 0 HA ILE A 70 20.473 -7.734 -10.319 1.00 13.79 H new ATOM 0 HB ILE A 70 19.873 -6.144 -7.787 1.00 13.60 H new ATOM 0 HG12 ILE A 70 18.460 -5.504 -9.726 1.00 13.34 H new ATOM 0 HG13 ILE A 70 19.533 -4.215 -9.218 1.00 13.34 H new ATOM 0 HG21 ILE A 70 21.852 -4.772 -8.386 1.00 14.13 H new ATOM 0 HG22 ILE A 70 22.286 -6.467 -8.059 1.00 14.13 H new ATOM 0 HG23 ILE A 70 22.197 -5.880 -9.736 1.00 14.13 H new ATOM 0 HD11 ILE A 70 19.439 -4.366 -11.661 1.00 13.69 H new ATOM 0 HD12 ILE A 70 21.076 -4.749 -11.077 1.00 13.69 H new ATOM 0 HD13 ILE A 70 19.986 -6.058 -11.593 1.00 13.69 H new ATOM 1011 N GLN A 71 21.411 -9.681 -8.915 1.00 14.61 N ATOM 1012 CA GLN A 71 22.161 -10.630 -8.101 1.00 15.25 C ATOM 1013 C GLN A 71 23.571 -10.797 -8.638 1.00 16.12 C ATOM 1014 O GLN A 71 24.343 -11.644 -8.181 1.00 16.80 O ATOM 1015 CB GLN A 71 21.442 -11.978 -8.054 1.00 15.18 C ATOM 1016 CG GLN A 71 21.328 -12.665 -9.406 1.00 15.42 C ATOM 1017 CD GLN A 71 20.765 -14.071 -9.299 1.00 15.46 C ATOM 1018 OE1 GLN A 71 21.071 -14.755 -8.203 1.00 15.61 O flip ATOM 1019 NE2 GLN A 71 20.077 -14.545 -10.207 1.00 15.48 N flip ATOM 0 H GLN A 71 21.362 -9.915 -9.907 1.00 14.61 H new ATOM 0 HA GLN A 71 22.225 -10.237 -7.086 1.00 15.25 H new ATOM 0 HB2 GLN A 71 21.972 -12.637 -7.366 1.00 15.18 H new ATOM 0 HB3 GLN A 71 20.442 -11.831 -7.647 1.00 15.18 H new ATOM 0 HG2 GLN A 71 20.689 -12.070 -10.059 1.00 15.42 H new ATOM 0 HG3 GLN A 71 22.312 -12.706 -9.873 1.00 15.42 H new ATOM 0 HE21 GLN A 71 19.866 -13.984 -11.032 1.00 15.48 H new ATOM 0 HE22 GLN A 71 19.720 -15.497 -10.132 1.00 15.48 H new ATOM 1028 N GLU A 72 23.907 -9.934 -9.574 1.00 16.21 N ATOM 1029 CA GLU A 72 25.207 -9.950 -10.221 1.00 17.08 C ATOM 1030 C GLU A 72 26.237 -9.235 -9.351 1.00 17.64 C ATOM 1031 O GLU A 72 25.880 -8.368 -8.548 1.00 17.36 O ATOM 1032 CB GLU A 72 25.130 -9.267 -11.596 1.00 17.12 C ATOM 1033 CG GLU A 72 24.192 -9.946 -12.592 1.00 16.82 C ATOM 1034 CD GLU A 72 22.732 -9.913 -12.171 1.00 16.87 C ATOM 1035 OE1 GLU A 72 22.025 -10.921 -12.378 1.00 16.46 O ATOM 1036 OE2 GLU A 72 22.290 -8.871 -11.637 1.00 17.42 O ATOM 0 H GLU A 72 23.286 -9.198 -9.910 1.00 16.21 H new ATOM 0 HA GLU A 72 25.511 -10.988 -10.357 1.00 17.08 H new ATOM 0 HB2 GLU A 72 24.806 -8.236 -11.457 1.00 17.12 H new ATOM 0 HB3 GLU A 72 26.131 -9.231 -12.026 1.00 17.12 H new ATOM 0 HG2 GLU A 72 24.293 -9.460 -13.563 1.00 16.82 H new ATOM 0 HG3 GLU A 72 24.501 -10.983 -12.721 1.00 16.82 H new ATOM 1043 N PRO A 73 27.520 -9.605 -9.465 1.00 18.53 N ATOM 1044 CA PRO A 73 28.588 -8.957 -8.704 1.00 19.22 C ATOM 1045 C PRO A 73 28.912 -7.579 -9.251 1.00 19.49 C ATOM 1046 O PRO A 73 28.504 -7.228 -10.366 1.00 19.26 O ATOM 1047 CB PRO A 73 29.785 -9.882 -8.901 1.00 20.10 C ATOM 1048 CG PRO A 73 29.534 -10.520 -10.225 1.00 20.05 C ATOM 1049 CD PRO A 73 28.040 -10.685 -10.329 1.00 19.04 C ATOM 0 HA PRO A 73 28.311 -8.811 -7.660 1.00 19.22 H new ATOM 0 HB2 PRO A 73 30.723 -9.327 -8.897 1.00 20.10 H new ATOM 0 HB3 PRO A 73 29.850 -10.625 -8.106 1.00 20.10 H new ATOM 0 HG2 PRO A 73 29.916 -9.899 -11.036 1.00 20.05 H new ATOM 0 HG3 PRO A 73 30.039 -11.483 -10.296 1.00 20.05 H new ATOM 0 HD2 PRO A 73 27.694 -10.580 -11.357 1.00 19.04 H new ATOM 0 HD3 PRO A 73 27.718 -11.667 -9.983 1.00 19.04 H new ATOM 1057 N ALA A 74 29.700 -6.833 -8.496 1.00 20.11 N ATOM 1058 CA ALA A 74 30.089 -5.494 -8.896 1.00 20.56 C ATOM 1059 C ALA A 74 31.115 -4.912 -7.937 1.00 20.94 C ATOM 1060 O ALA A 74 31.495 -5.550 -6.955 1.00 20.85 O ATOM 1061 CB ALA A 74 28.877 -4.575 -8.983 1.00 20.34 C ATOM 0 H ALA A 74 30.083 -7.134 -7.600 1.00 20.11 H new ATOM 0 HA ALA A 74 30.542 -5.567 -9.885 1.00 20.56 H new ATOM 0 HB1 ALA A 74 29.197 -3.578 -9.285 1.00 20.34 H new ATOM 0 HB2 ALA A 74 28.174 -4.968 -9.718 1.00 20.34 H new ATOM 0 HB3 ALA A 74 28.391 -4.521 -8.009 1.00 20.34 H new ATOM 1067 N LEU A 75 31.564 -3.704 -8.237 1.00 21.47 N ATOM 1068 CA LEU A 75 32.527 -3.011 -7.396 1.00 21.98 C ATOM 1069 C LEU A 75 31.777 -2.249 -6.290 1.00 22.04 C ATOM 1070 O LEU A 75 30.606 -1.918 -6.480 1.00 21.90 O ATOM 1071 CB LEU A 75 33.370 -2.036 -8.239 1.00 22.62 C ATOM 1072 CG LEU A 75 34.362 -2.663 -9.235 1.00 22.85 C ATOM 1073 CD1 LEU A 75 35.243 -3.696 -8.547 1.00 22.94 C ATOM 1074 CD2 LEU A 75 33.638 -3.265 -10.438 1.00 22.46 C ATOM 0 H LEU A 75 31.275 -3.180 -9.063 1.00 21.47 H new ATOM 0 HA LEU A 75 33.200 -3.739 -6.942 1.00 21.98 H new ATOM 0 HB2 LEU A 75 32.690 -1.392 -8.796 1.00 22.62 H new ATOM 0 HB3 LEU A 75 33.930 -1.395 -7.559 1.00 22.62 H new ATOM 0 HG LEU A 75 35.007 -1.867 -9.608 1.00 22.85 H new ATOM 0 HD11 LEU A 75 35.935 -4.125 -9.272 1.00 22.94 H new ATOM 0 HD12 LEU A 75 35.807 -3.218 -7.746 1.00 22.94 H new ATOM 0 HD13 LEU A 75 34.619 -4.486 -8.130 1.00 22.94 H new ATOM 0 HD21 LEU A 75 34.367 -3.699 -11.122 1.00 22.46 H new ATOM 0 HD22 LEU A 75 32.952 -4.041 -10.099 1.00 22.46 H new ATOM 0 HD23 LEU A 75 33.078 -2.485 -10.953 1.00 22.46 H new ATOM 1086 N PRO A 76 32.374 -2.040 -5.086 1.00 22.33 N ATOM 1087 CA PRO A 76 31.727 -1.243 -4.025 1.00 22.55 C ATOM 1088 C PRO A 76 31.272 0.134 -4.539 1.00 23.16 C ATOM 1089 O PRO A 76 31.870 0.673 -5.470 1.00 23.54 O ATOM 1090 CB PRO A 76 32.851 -1.086 -2.982 1.00 22.90 C ATOM 1091 CG PRO A 76 33.667 -2.318 -3.139 1.00 22.69 C ATOM 1092 CD PRO A 76 33.658 -2.622 -4.617 1.00 22.58 C ATOM 0 HA PRO A 76 30.825 -1.716 -3.636 1.00 22.55 H new ATOM 0 HB2 PRO A 76 33.443 -0.190 -3.166 1.00 22.90 H new ATOM 0 HB3 PRO A 76 32.449 -1.000 -1.973 1.00 22.90 H new ATOM 0 HG2 PRO A 76 34.683 -2.164 -2.776 1.00 22.69 H new ATOM 0 HG3 PRO A 76 33.245 -3.144 -2.566 1.00 22.69 H new ATOM 0 HD2 PRO A 76 34.511 -2.171 -5.124 1.00 22.58 H new ATOM 0 HD3 PRO A 76 33.705 -3.694 -4.806 1.00 22.58 H new ATOM 1100 N PRO A 77 30.234 0.747 -3.927 1.00 23.33 N ATOM 1101 CA PRO A 77 29.716 2.048 -4.382 1.00 24.01 C ATOM 1102 C PRO A 77 30.780 3.141 -4.261 1.00 24.77 C ATOM 1103 O PRO A 77 31.443 3.269 -3.225 1.00 25.03 O ATOM 1104 CB PRO A 77 28.534 2.311 -3.435 1.00 24.14 C ATOM 1105 CG PRO A 77 28.907 1.574 -2.208 1.00 23.57 C ATOM 1106 CD PRO A 77 29.548 0.293 -2.699 1.00 23.01 C ATOM 0 HA PRO A 77 29.425 2.046 -5.432 1.00 24.01 H new ATOM 0 HB2 PRO A 77 28.404 3.376 -3.240 1.00 24.14 H new ATOM 0 HB3 PRO A 77 27.596 1.947 -3.853 1.00 24.14 H new ATOM 0 HG2 PRO A 77 29.599 2.152 -1.596 1.00 23.57 H new ATOM 0 HG3 PRO A 77 28.033 1.366 -1.591 1.00 23.57 H new ATOM 0 HD2 PRO A 77 30.246 -0.120 -1.970 1.00 23.01 H new ATOM 0 HD3 PRO A 77 28.808 -0.480 -2.906 1.00 23.01 H new ATOM 1114 N GLY A 78 30.966 3.905 -5.327 1.00 25.21 N ATOM 1115 CA GLY A 78 32.009 4.918 -5.337 1.00 26.01 C ATOM 1116 C GLY A 78 33.323 4.407 -5.914 1.00 25.92 C ATOM 1117 O GLY A 78 34.156 5.199 -6.360 1.00 26.59 O ATOM 0 H GLY A 78 30.417 3.845 -6.184 1.00 25.21 H new ATOM 0 HA2 GLY A 78 31.671 5.775 -5.919 1.00 26.01 H new ATOM 0 HA3 GLY A 78 32.177 5.270 -4.319 1.00 26.01 H new ATOM 1121 N TRP A 79 33.523 3.090 -5.893 1.00 25.19 N ATOM 1122 CA TRP A 79 34.743 2.490 -6.449 1.00 25.16 C ATOM 1123 C TRP A 79 34.524 2.076 -7.906 1.00 24.97 C ATOM 1124 O TRP A 79 33.447 1.598 -8.263 1.00 24.43 O ATOM 1125 CB TRP A 79 35.163 1.267 -5.623 1.00 24.58 C ATOM 1126 CG TRP A 79 35.704 1.615 -4.267 1.00 24.92 C ATOM 1127 CD1 TRP A 79 34.987 1.987 -3.163 1.00 24.92 C ATOM 1128 CD2 TRP A 79 37.080 1.608 -3.871 1.00 25.44 C ATOM 1129 NE1 TRP A 79 35.835 2.213 -2.107 1.00 25.41 N ATOM 1130 CE2 TRP A 79 37.124 1.993 -2.518 1.00 25.73 C ATOM 1131 CE3 TRP A 79 38.283 1.321 -4.533 1.00 25.76 C ATOM 1132 CZ2 TRP A 79 38.324 2.089 -1.814 1.00 26.32 C ATOM 1133 CZ3 TRP A 79 39.469 1.420 -3.834 1.00 26.34 C ATOM 1134 CH2 TRP A 79 39.484 1.803 -2.486 1.00 26.61 C ATOM 0 H TRP A 79 32.863 2.419 -5.501 1.00 25.19 H new ATOM 0 HA TRP A 79 35.536 3.237 -6.409 1.00 25.16 H new ATOM 0 HB2 TRP A 79 34.304 0.607 -5.504 1.00 24.58 H new ATOM 0 HB3 TRP A 79 35.920 0.709 -6.175 1.00 24.58 H new ATOM 0 HD1 TRP A 79 33.912 2.088 -3.127 1.00 24.92 H new ATOM 0 HE1 TRP A 79 35.552 2.498 -1.169 1.00 25.41 H new ATOM 0 HE3 TRP A 79 38.281 1.027 -5.572 1.00 25.76 H new ATOM 0 HZ2 TRP A 79 38.339 2.379 -0.774 1.00 26.32 H new ATOM 0 HZ3 TRP A 79 40.400 1.199 -4.334 1.00 26.34 H new ATOM 0 HH2 TRP A 79 40.428 1.874 -1.966 1.00 26.61 H new ATOM 1145 N GLU A 80 35.537 2.278 -8.748 1.00 25.51 N ATOM 1146 CA GLU A 80 35.460 1.903 -10.149 1.00 25.50 C ATOM 1147 C GLU A 80 36.740 1.177 -10.554 1.00 25.52 C ATOM 1148 O GLU A 80 37.817 1.462 -10.019 1.00 25.91 O ATOM 1149 CB GLU A 80 35.260 3.160 -11.011 1.00 26.28 C ATOM 1150 CG GLU A 80 35.329 2.913 -12.512 1.00 26.33 C ATOM 1151 CD GLU A 80 34.164 2.111 -13.046 1.00 26.69 C ATOM 1152 OE1 GLU A 80 34.136 0.885 -12.832 1.00 26.95 O ATOM 1153 OE2 GLU A 80 33.294 2.711 -13.715 1.00 26.80 O ATOM 0 H GLU A 80 36.424 2.702 -8.476 1.00 25.51 H new ATOM 0 HA GLU A 80 34.613 1.235 -10.303 1.00 25.50 H new ATOM 0 HB2 GLU A 80 34.291 3.599 -10.772 1.00 26.28 H new ATOM 0 HB3 GLU A 80 36.018 3.895 -10.741 1.00 26.28 H new ATOM 0 HG2 GLU A 80 35.367 3.872 -13.029 1.00 26.33 H new ATOM 0 HG3 GLU A 80 36.257 2.390 -12.744 1.00 26.33 H new ATOM 1160 N MET A 81 36.625 0.257 -11.505 1.00 25.18 N ATOM 1161 CA MET A 81 37.762 -0.544 -11.944 1.00 25.27 C ATOM 1162 C MET A 81 37.886 -0.502 -13.474 1.00 25.77 C ATOM 1163 O MET A 81 36.947 -0.857 -14.189 1.00 25.60 O ATOM 1164 CB MET A 81 37.590 -1.991 -11.454 1.00 24.50 C ATOM 1165 CG MET A 81 38.853 -2.840 -11.525 1.00 24.68 C ATOM 1166 SD MET A 81 39.266 -3.393 -13.193 1.00 24.52 S ATOM 1167 CE MET A 81 37.787 -4.308 -13.628 1.00 24.27 C ATOM 0 H MET A 81 35.752 0.047 -11.989 1.00 25.18 H new ATOM 0 HA MET A 81 38.677 -0.132 -11.519 1.00 25.27 H new ATOM 0 HB2 MET A 81 37.239 -1.972 -10.422 1.00 24.50 H new ATOM 0 HB3 MET A 81 36.812 -2.471 -12.047 1.00 24.50 H new ATOM 0 HG2 MET A 81 39.689 -2.266 -11.125 1.00 24.68 H new ATOM 0 HG3 MET A 81 38.730 -3.712 -10.883 1.00 24.68 H new ATOM 0 HE1 MET A 81 38.037 -5.077 -14.359 1.00 24.27 H new ATOM 0 HE2 MET A 81 37.373 -4.777 -12.735 1.00 24.27 H new ATOM 0 HE3 MET A 81 37.050 -3.627 -14.055 1.00 24.27 H new ATOM 1177 N LYS A 82 39.047 -0.082 -13.978 1.00 26.46 N ATOM 1178 CA LYS A 82 39.263 0.010 -15.422 1.00 27.08 C ATOM 1179 C LYS A 82 40.724 -0.321 -15.729 1.00 27.55 C ATOM 1180 O LYS A 82 41.577 -0.235 -14.845 1.00 27.58 O ATOM 1181 CB LYS A 82 38.894 1.414 -15.961 1.00 27.79 C ATOM 1182 CG LYS A 82 37.475 1.863 -15.638 1.00 27.45 C ATOM 1183 CD LYS A 82 37.186 3.242 -16.202 1.00 28.23 C ATOM 1184 CE LYS A 82 35.877 3.800 -15.656 1.00 28.14 C ATOM 1185 NZ LYS A 82 34.698 2.973 -16.044 1.00 28.22 N ATOM 0 H LYS A 82 39.848 0.198 -13.412 1.00 26.46 H new ATOM 0 HA LYS A 82 38.612 -0.707 -15.923 1.00 27.08 H new ATOM 0 HB2 LYS A 82 39.594 2.142 -15.551 1.00 27.79 H new ATOM 0 HB3 LYS A 82 39.026 1.420 -17.043 1.00 27.79 H new ATOM 0 HG2 LYS A 82 36.763 1.145 -16.046 1.00 27.45 H new ATOM 0 HG3 LYS A 82 37.333 1.874 -14.557 1.00 27.45 H new ATOM 0 HD2 LYS A 82 38.004 3.918 -15.953 1.00 28.23 H new ATOM 0 HD3 LYS A 82 37.136 3.189 -17.290 1.00 28.23 H new ATOM 0 HE2 LYS A 82 35.935 3.857 -14.569 1.00 28.14 H new ATOM 0 HE3 LYS A 82 35.739 4.818 -16.021 1.00 28.14 H new ATOM 0 HZ1 LYS A 82 33.941 3.096 -15.342 1.00 28.22 H new ATOM 0 HZ2 LYS A 82 34.355 3.274 -16.979 1.00 28.22 H new ATOM 0 HZ3 LYS A 82 34.974 1.971 -16.083 1.00 28.22 H new ATOM 1199 N TYR A 83 41.004 -0.738 -16.958 1.00 27.96 N ATOM 1200 CA TYR A 83 42.363 -1.105 -17.359 1.00 28.50 C ATOM 1201 C TYR A 83 42.982 0.006 -18.208 1.00 29.50 C ATOM 1202 O TYR A 83 42.263 0.760 -18.869 1.00 29.77 O ATOM 1203 CB TYR A 83 42.348 -2.417 -18.172 1.00 28.32 C ATOM 1204 CG TYR A 83 41.768 -3.611 -17.438 1.00 27.47 C ATOM 1205 CD1 TYR A 83 42.567 -4.405 -16.619 1.00 27.19 C ATOM 1206 CD2 TYR A 83 40.421 -3.933 -17.548 1.00 27.03 C ATOM 1207 CE1 TYR A 83 42.039 -5.483 -15.935 1.00 26.48 C ATOM 1208 CE2 TYR A 83 39.889 -5.012 -16.866 1.00 26.32 C ATOM 1209 CZ TYR A 83 40.708 -5.821 -16.121 1.00 26.04 C ATOM 1210 OH TYR A 83 40.168 -6.853 -15.377 1.00 25.39 O ATOM 0 H TYR A 83 40.308 -0.832 -17.698 1.00 27.96 H new ATOM 0 HA TYR A 83 42.958 -1.247 -16.457 1.00 28.50 H new ATOM 0 HB2 TYR A 83 41.775 -2.256 -19.085 1.00 28.32 H new ATOM 0 HB3 TYR A 83 43.369 -2.654 -18.473 1.00 28.32 H new ATOM 0 HD1 TYR A 83 43.617 -4.174 -16.517 1.00 27.19 H new ATOM 0 HD2 TYR A 83 39.780 -3.332 -18.175 1.00 27.03 H new ATOM 0 HE1 TYR A 83 42.658 -6.057 -15.261 1.00 26.48 H new ATOM 0 HE2 TYR A 83 38.830 -5.217 -16.920 1.00 26.32 H new ATOM 0 HH TYR A 83 39.225 -6.971 -15.618 1.00 25.39 H new ATOM 1220 N THR A 84 44.305 0.135 -18.154 1.00 30.09 N ATOM 1221 CA THR A 84 45.014 1.108 -18.982 1.00 31.09 C ATOM 1222 C THR A 84 45.152 0.567 -20.409 1.00 31.47 C ATOM 1223 O THR A 84 44.639 -0.511 -20.716 1.00 30.98 O ATOM 1224 CB THR A 84 46.419 1.432 -18.420 1.00 31.69 C ATOM 1225 OG1 THR A 84 47.291 0.297 -18.546 1.00 31.75 O ATOM 1226 CG2 THR A 84 46.345 1.841 -16.961 1.00 31.35 C ATOM 0 H THR A 84 44.907 -0.421 -17.547 1.00 30.09 H new ATOM 0 HA THR A 84 44.431 2.029 -18.980 1.00 31.09 H new ATOM 0 HB THR A 84 46.817 2.263 -19.002 1.00 31.69 H new ATOM 0 HG1 THR A 84 48.224 0.594 -18.496 1.00 31.75 H new ATOM 0 HG21 THR A 84 47.347 2.062 -16.594 1.00 31.35 H new ATOM 0 HG22 THR A 84 45.719 2.728 -16.863 1.00 31.35 H new ATOM 0 HG23 THR A 84 45.916 1.027 -16.376 1.00 31.35 H new ATOM 1234 N SER A 85 45.872 1.286 -21.266 1.00 32.40 N ATOM 1235 CA SER A 85 46.046 0.873 -22.657 1.00 32.91 C ATOM 1236 C SER A 85 46.737 -0.494 -22.768 1.00 33.07 C ATOM 1237 O SER A 85 46.354 -1.329 -23.587 1.00 33.44 O ATOM 1238 CB SER A 85 46.843 1.941 -23.404 1.00 33.91 C ATOM 1239 OG SER A 85 47.291 2.951 -22.513 1.00 34.32 O ATOM 0 H SER A 85 46.344 2.157 -21.023 1.00 32.40 H new ATOM 0 HA SER A 85 45.060 0.767 -23.109 1.00 32.91 H new ATOM 0 HB2 SER A 85 47.698 1.482 -23.900 1.00 33.91 H new ATOM 0 HB3 SER A 85 46.223 2.386 -24.183 1.00 33.91 H new ATOM 0 HG SER A 85 47.800 3.624 -23.011 1.00 34.32 H new ATOM 1245 N GLU A 86 47.723 -0.734 -21.913 1.00 32.82 N ATOM 1246 CA GLU A 86 48.447 -2.020 -21.907 1.00 33.03 C ATOM 1247 C GLU A 86 47.717 -3.054 -21.051 1.00 32.13 C ATOM 1248 O GLU A 86 48.227 -4.146 -20.811 1.00 32.23 O ATOM 1249 CB GLU A 86 49.867 -1.826 -21.371 1.00 33.61 C ATOM 1250 CG GLU A 86 50.758 -1.004 -22.283 1.00 34.45 C ATOM 1251 CD GLU A 86 52.095 -0.697 -21.651 1.00 34.93 C ATOM 1252 OE1 GLU A 86 52.999 -1.560 -21.699 1.00 34.87 O ATOM 1253 OE2 GLU A 86 52.248 0.407 -21.088 1.00 35.43 O ATOM 0 H GLU A 86 48.046 -0.065 -21.214 1.00 32.82 H new ATOM 0 HA GLU A 86 48.493 -2.384 -22.933 1.00 33.03 H new ATOM 0 HB2 GLU A 86 49.814 -1.341 -20.396 1.00 33.61 H new ATOM 0 HB3 GLU A 86 50.324 -2.803 -21.217 1.00 33.61 H new ATOM 0 HG2 GLU A 86 50.915 -1.544 -23.217 1.00 34.45 H new ATOM 0 HG3 GLU A 86 50.254 -0.071 -22.535 1.00 34.45 H new ATOM 1260 N GLY A 87 46.527 -2.705 -20.595 1.00 31.30 N ATOM 1261 CA GLY A 87 45.753 -3.621 -19.786 1.00 30.42 C ATOM 1262 C GLY A 87 46.197 -3.667 -18.334 1.00 30.02 C ATOM 1263 O GLY A 87 46.011 -4.681 -17.659 1.00 29.44 O ATOM 0 H GLY A 87 46.082 -1.804 -20.770 1.00 31.30 H new ATOM 0 HA2 GLY A 87 44.703 -3.333 -19.828 1.00 30.42 H new ATOM 0 HA3 GLY A 87 45.826 -4.621 -20.212 1.00 30.42 H new ATOM 1267 N VAL A 88 46.798 -2.586 -17.847 1.00 30.40 N ATOM 1268 CA VAL A 88 47.212 -2.514 -16.454 1.00 30.17 C ATOM 1269 C VAL A 88 46.014 -2.115 -15.596 1.00 29.38 C ATOM 1270 O VAL A 88 45.207 -1.273 -15.995 1.00 29.40 O ATOM 1271 CB VAL A 88 48.380 -1.520 -16.250 1.00 31.05 C ATOM 1272 CG1 VAL A 88 48.682 -1.314 -14.774 1.00 30.89 C ATOM 1273 CG2 VAL A 88 49.625 -2.007 -16.975 1.00 31.86 C ATOM 0 H VAL A 88 47.008 -1.752 -18.395 1.00 30.40 H new ATOM 0 HA VAL A 88 47.574 -3.497 -16.151 1.00 30.17 H new ATOM 0 HB VAL A 88 48.076 -0.561 -16.670 1.00 31.05 H new ATOM 0 HG11 VAL A 88 49.507 -0.610 -14.666 1.00 30.89 H new ATOM 0 HG12 VAL A 88 47.799 -0.917 -14.274 1.00 30.89 H new ATOM 0 HG13 VAL A 88 48.957 -2.267 -14.322 1.00 30.89 H new ATOM 0 HG21 VAL A 88 50.437 -1.296 -16.821 1.00 31.86 H new ATOM 0 HG22 VAL A 88 49.917 -2.981 -16.583 1.00 31.86 H new ATOM 0 HG23 VAL A 88 49.415 -2.093 -18.041 1.00 31.86 H new ATOM 1283 N ARG A 89 45.879 -2.757 -14.446 1.00 28.74 N ATOM 1284 CA ARG A 89 44.729 -2.550 -13.572 1.00 27.99 C ATOM 1285 C ARG A 89 44.914 -1.343 -12.652 1.00 28.23 C ATOM 1286 O ARG A 89 45.878 -1.278 -11.892 1.00 28.54 O ATOM 1287 CB ARG A 89 44.512 -3.810 -12.727 1.00 27.21 C ATOM 1288 CG ARG A 89 43.127 -3.911 -12.107 1.00 26.48 C ATOM 1289 CD ARG A 89 43.000 -5.169 -11.265 1.00 25.83 C ATOM 1290 NE ARG A 89 41.635 -5.363 -10.762 1.00 25.29 N ATOM 1291 CZ ARG A 89 41.310 -6.246 -9.810 1.00 24.70 C ATOM 1292 NH1 ARG A 89 42.251 -6.965 -9.211 1.00 24.55 N ATOM 1293 NH2 ARG A 89 40.044 -6.382 -9.434 1.00 24.34 N ATOM 0 H ARG A 89 46.557 -3.432 -14.092 1.00 28.74 H new ATOM 0 HA ARG A 89 43.860 -2.352 -14.199 1.00 27.99 H new ATOM 0 HB2 ARG A 89 44.684 -4.687 -13.351 1.00 27.21 H new ATOM 0 HB3 ARG A 89 45.257 -3.834 -11.932 1.00 27.21 H new ATOM 0 HG2 ARG A 89 42.936 -3.034 -11.489 1.00 26.48 H new ATOM 0 HG3 ARG A 89 42.372 -3.917 -12.893 1.00 26.48 H new ATOM 0 HD2 ARG A 89 43.292 -6.034 -11.860 1.00 25.83 H new ATOM 0 HD3 ARG A 89 43.691 -5.113 -10.424 1.00 25.83 H new ATOM 0 HE ARG A 89 40.890 -4.792 -11.161 1.00 25.29 H new ATOM 0 HH11 ARG A 89 43.229 -6.847 -9.475 1.00 24.55 H new ATOM 0 HH12 ARG A 89 41.996 -7.636 -8.486 1.00 24.55 H new ATOM 0 HH21 ARG A 89 39.318 -5.813 -9.871 1.00 24.34 H new ATOM 0 HH22 ARG A 89 39.797 -7.055 -8.709 1.00 24.34 H new ATOM 1307 N TYR A 90 43.996 -0.387 -12.733 1.00 28.18 N ATOM 1308 CA TYR A 90 44.012 0.757 -11.831 1.00 28.46 C ATOM 1309 C TYR A 90 42.596 0.983 -11.294 1.00 27.80 C ATOM 1310 O TYR A 90 41.624 0.537 -11.910 1.00 27.31 O ATOM 1311 CB TYR A 90 44.551 2.026 -12.518 1.00 29.43 C ATOM 1312 CG TYR A 90 43.656 2.631 -13.580 1.00 29.57 C ATOM 1313 CD1 TYR A 90 43.644 2.134 -14.879 1.00 29.65 C ATOM 1314 CD2 TYR A 90 42.801 3.677 -13.274 1.00 29.70 C ATOM 1315 CE1 TYR A 90 42.807 2.667 -15.840 1.00 29.86 C ATOM 1316 CE2 TYR A 90 41.961 4.219 -14.229 1.00 29.91 C ATOM 1317 CZ TYR A 90 42.057 3.775 -15.549 1.00 30.05 C ATOM 1318 OH TYR A 90 41.131 4.240 -16.466 1.00 30.27 O ATOM 0 H TYR A 90 43.234 -0.381 -13.411 1.00 28.18 H new ATOM 0 HA TYR A 90 44.690 0.542 -11.005 1.00 28.46 H new ATOM 0 HB2 TYR A 90 44.736 2.780 -11.753 1.00 29.43 H new ATOM 0 HB3 TYR A 90 45.513 1.790 -12.972 1.00 29.43 H new ATOM 0 HD1 TYR A 90 44.300 1.317 -15.141 1.00 29.65 H new ATOM 0 HD2 TYR A 90 42.790 4.077 -12.271 1.00 29.70 H new ATOM 0 HE1 TYR A 90 42.744 2.211 -16.817 1.00 29.86 H new ATOM 0 HE2 TYR A 90 41.240 4.976 -13.957 1.00 29.91 H new ATOM 0 HH TYR A 90 40.683 5.033 -16.105 1.00 30.27 H new ATOM 1328 N PHE A 91 42.472 1.625 -10.138 1.00 27.84 N ATOM 1329 CA PHE A 91 41.168 1.864 -9.545 1.00 27.29 C ATOM 1330 C PHE A 91 40.880 3.355 -9.457 1.00 27.91 C ATOM 1331 O PHE A 91 41.799 4.169 -9.320 1.00 28.69 O ATOM 1332 CB PHE A 91 41.081 1.235 -8.153 1.00 26.81 C ATOM 1333 CG PHE A 91 40.823 -0.252 -8.159 1.00 26.08 C ATOM 1334 CD1 PHE A 91 39.579 -0.776 -7.818 1.00 25.34 C ATOM 1335 CD2 PHE A 91 41.833 -1.131 -8.515 1.00 26.22 C ATOM 1336 CE1 PHE A 91 39.356 -2.140 -7.835 1.00 24.76 C ATOM 1337 CE2 PHE A 91 41.613 -2.496 -8.533 1.00 25.66 C ATOM 1338 CZ PHE A 91 40.318 -2.991 -8.147 1.00 24.89 C ATOM 0 H PHE A 91 43.257 1.987 -9.597 1.00 27.84 H new ATOM 0 HA PHE A 91 40.420 1.400 -10.187 1.00 27.29 H new ATOM 0 HB2 PHE A 91 42.012 1.428 -7.621 1.00 26.81 H new ATOM 0 HB3 PHE A 91 40.286 1.728 -7.593 1.00 26.81 H new ATOM 0 HD1 PHE A 91 38.778 -0.108 -7.537 1.00 25.34 H new ATOM 0 HD2 PHE A 91 42.806 -0.745 -8.782 1.00 26.22 H new ATOM 0 HE1 PHE A 91 38.375 -2.518 -7.588 1.00 24.76 H new ATOM 0 HE2 PHE A 91 42.397 -3.177 -8.831 1.00 25.66 H new ATOM 0 HZ PHE A 91 40.133 -4.054 -8.112 1.00 24.89 H new ATOM 1348 N VAL A 92 39.601 3.704 -9.538 1.00 27.61 N ATOM 1349 CA VAL A 92 39.173 5.098 -9.482 1.00 28.23 C ATOM 1350 C VAL A 92 38.355 5.369 -8.220 1.00 27.94 C ATOM 1351 O VAL A 92 37.209 4.925 -8.109 1.00 27.26 O ATOM 1352 CB VAL A 92 38.316 5.460 -10.717 1.00 28.37 C ATOM 1353 CG1 VAL A 92 37.898 6.925 -10.703 1.00 29.13 C ATOM 1354 CG2 VAL A 92 39.056 5.133 -12.000 1.00 28.67 C ATOM 0 H VAL A 92 38.837 3.036 -9.643 1.00 27.61 H new ATOM 0 HA VAL A 92 40.073 5.713 -9.469 1.00 28.23 H new ATOM 0 HB VAL A 92 37.410 4.856 -10.672 1.00 28.37 H new ATOM 0 HG11 VAL A 92 37.297 7.140 -11.587 1.00 29.13 H new ATOM 0 HG12 VAL A 92 37.311 7.127 -9.807 1.00 29.13 H new ATOM 0 HG13 VAL A 92 38.786 7.557 -10.705 1.00 29.13 H new ATOM 0 HG21 VAL A 92 38.434 5.396 -12.856 1.00 28.67 H new ATOM 0 HG22 VAL A 92 39.986 5.701 -12.039 1.00 28.67 H new ATOM 0 HG23 VAL A 92 39.281 4.067 -12.029 1.00 28.67 H new ATOM 1364 N ASP A 93 38.950 6.077 -7.266 1.00 28.50 N ATOM 1365 CA ASP A 93 38.235 6.465 -6.041 1.00 28.42 C ATOM 1366 C ASP A 93 37.327 7.659 -6.348 1.00 28.86 C ATOM 1367 O ASP A 93 37.797 8.792 -6.381 1.00 29.70 O ATOM 1368 CB ASP A 93 39.203 6.873 -4.905 1.00 29.01 C ATOM 1369 CG ASP A 93 39.557 5.739 -3.963 1.00 28.68 C ATOM 1370 OD1 ASP A 93 38.710 5.380 -3.116 1.00 28.33 O ATOM 1371 OD2 ASP A 93 40.699 5.241 -4.024 1.00 28.82 O ATOM 0 H ASP A 93 39.918 6.395 -7.310 1.00 28.50 H new ATOM 0 HA ASP A 93 37.660 5.601 -5.709 1.00 28.42 H new ATOM 0 HB2 ASP A 93 40.119 7.266 -5.345 1.00 29.01 H new ATOM 0 HB3 ASP A 93 38.753 7.683 -4.330 1.00 29.01 H new ATOM 1376 N HIS A 94 36.045 7.421 -6.627 1.00 28.36 N ATOM 1377 CA HIS A 94 35.134 8.530 -6.922 1.00 28.81 C ATOM 1378 C HIS A 94 34.788 9.304 -5.654 1.00 29.31 C ATOM 1379 O HIS A 94 34.300 10.429 -5.718 1.00 29.90 O ATOM 1380 CB HIS A 94 33.838 8.050 -7.583 1.00 28.18 C ATOM 1381 CG HIS A 94 33.991 7.613 -9.010 1.00 28.49 C ATOM 1382 ND1 HIS A 94 33.939 8.503 -10.056 1.00 28.32 N ATOM 1383 CD2 HIS A 94 34.162 6.387 -9.572 1.00 29.05 C ATOM 1384 CE1 HIS A 94 34.064 7.855 -11.193 1.00 28.75 C ATOM 1385 NE2 HIS A 94 34.200 6.568 -10.932 1.00 29.20 N ATOM 0 H HIS A 94 35.620 6.494 -6.655 1.00 28.36 H new ATOM 0 HA HIS A 94 35.658 9.183 -7.620 1.00 28.81 H new ATOM 0 HB2 HIS A 94 33.436 7.219 -7.003 1.00 28.18 H new ATOM 0 HB3 HIS A 94 33.104 8.854 -7.540 1.00 28.18 H new ATOM 0 HD2 HIS A 94 34.251 5.447 -9.047 1.00 29.05 H new ATOM 0 HE1 HIS A 94 34.057 8.301 -12.177 1.00 28.75 H new ATOM 0 HE2 HIS A 94 34.314 5.830 -11.627 1.00 29.20 H new ATOM 1394 N ASN A 95 35.085 8.709 -4.503 1.00 29.17 N ATOM 1395 CA ASN A 95 34.769 9.321 -3.215 1.00 29.71 C ATOM 1396 C ASN A 95 35.729 10.467 -2.889 1.00 30.73 C ATOM 1397 O ASN A 95 35.332 11.462 -2.283 1.00 31.42 O ATOM 1398 CB ASN A 95 34.800 8.269 -2.089 1.00 29.28 C ATOM 1399 CG ASN A 95 36.149 7.586 -1.965 1.00 29.19 C ATOM 1400 OD1 ASN A 95 37.039 8.062 -1.265 1.00 29.80 O ATOM 1401 ND2 ASN A 95 36.304 6.453 -2.626 1.00 28.49 N ATOM 0 H ASN A 95 35.545 7.801 -4.435 1.00 29.17 H new ATOM 0 HA ASN A 95 33.762 9.732 -3.287 1.00 29.71 H new ATOM 0 HB2 ASN A 95 34.551 8.748 -1.142 1.00 29.28 H new ATOM 0 HB3 ASN A 95 34.033 7.518 -2.277 1.00 29.28 H new ATOM 0 HD21 ASN A 95 37.185 5.943 -2.565 1.00 28.49 H new ATOM 0 HD22 ASN A 95 35.542 6.088 -3.198 1.00 28.49 H new ATOM 1408 N THR A 96 36.991 10.321 -3.276 1.00 30.87 N ATOM 1409 CA THR A 96 37.988 11.359 -3.035 1.00 31.86 C ATOM 1410 C THR A 96 38.469 11.968 -4.351 1.00 32.23 C ATOM 1411 O THR A 96 39.260 12.911 -4.363 1.00 33.14 O ATOM 1412 CB THR A 96 39.184 10.803 -2.234 1.00 31.96 C ATOM 1413 OG1 THR A 96 39.469 9.467 -2.663 1.00 31.19 O ATOM 1414 CG2 THR A 96 38.893 10.805 -0.736 1.00 32.02 C ATOM 0 H THR A 96 37.348 9.496 -3.757 1.00 30.87 H new ATOM 0 HA THR A 96 37.514 12.143 -2.444 1.00 31.86 H new ATOM 0 HB THR A 96 40.046 11.445 -2.417 1.00 31.96 H new ATOM 0 HG1 THR A 96 38.789 8.857 -2.308 1.00 31.19 H new ATOM 0 HG21 THR A 96 39.754 10.408 -0.198 1.00 32.02 H new ATOM 0 HG22 THR A 96 38.697 11.825 -0.405 1.00 32.02 H new ATOM 0 HG23 THR A 96 38.020 10.184 -0.534 1.00 32.02 H new ATOM 1422 N ARG A 97 37.939 11.429 -5.450 1.00 31.56 N ATOM 1423 CA ARG A 97 38.265 11.883 -6.808 1.00 31.87 C ATOM 1424 C ARG A 97 39.747 11.752 -7.090 1.00 32.27 C ATOM 1425 O ARG A 97 40.497 12.731 -7.105 1.00 33.03 O ATOM 1426 CB ARG A 97 37.782 13.306 -7.049 1.00 32.70 C ATOM 1427 CG ARG A 97 36.278 13.420 -6.966 1.00 32.43 C ATOM 1428 CD ARG A 97 35.803 14.811 -7.363 1.00 33.36 C ATOM 1429 NE ARG A 97 36.513 15.856 -6.622 1.00 33.97 N ATOM 1430 CZ ARG A 97 36.128 17.129 -6.557 1.00 34.73 C ATOM 1431 NH1 ARG A 97 34.984 17.519 -7.108 1.00 35.00 N ATOM 1432 NH2 ARG A 97 36.888 18.006 -5.912 1.00 35.29 N ATOM 0 H ARG A 97 37.268 10.661 -5.426 1.00 31.56 H new ATOM 0 HA ARG A 97 37.736 11.234 -7.506 1.00 31.87 H new ATOM 0 HB2 ARG A 97 38.236 13.971 -6.315 1.00 32.70 H new ATOM 0 HB3 ARG A 97 38.116 13.640 -8.031 1.00 32.70 H new ATOM 0 HG2 ARG A 97 35.819 12.677 -7.618 1.00 32.43 H new ATOM 0 HG3 ARG A 97 35.950 13.198 -5.950 1.00 32.43 H new ATOM 0 HD2 ARG A 97 35.954 14.956 -8.433 1.00 33.36 H new ATOM 0 HD3 ARG A 97 34.732 14.897 -7.178 1.00 33.36 H new ATOM 0 HE ARG A 97 37.361 15.590 -6.121 1.00 33.97 H new ATOM 0 HH11 ARG A 97 34.391 16.841 -7.587 1.00 35.00 H new ATOM 0 HH12 ARG A 97 34.698 18.497 -7.052 1.00 35.00 H new ATOM 0 HH21 ARG A 97 37.757 17.702 -5.473 1.00 35.29 H new ATOM 0 HH22 ARG A 97 36.603 18.984 -5.856 1.00 35.29 H new ATOM 1446 N THR A 98 40.157 10.517 -7.291 1.00 31.75 N ATOM 1447 CA THR A 98 41.554 10.204 -7.545 1.00 32.09 C ATOM 1448 C THR A 98 41.687 8.829 -8.193 1.00 31.35 C ATOM 1449 O THR A 98 40.688 8.136 -8.422 1.00 30.48 O ATOM 1450 CB THR A 98 42.377 10.241 -6.229 1.00 32.35 C ATOM 1451 OG1 THR A 98 43.777 10.213 -6.529 1.00 32.15 O ATOM 1452 CG2 THR A 98 42.020 9.061 -5.322 1.00 32.59 C ATOM 0 H THR A 98 39.539 9.705 -7.284 1.00 31.75 H new ATOM 0 HA THR A 98 41.946 10.959 -8.227 1.00 32.09 H new ATOM 0 HB THR A 98 42.134 11.164 -5.703 1.00 32.35 H new ATOM 0 HG1 THR A 98 44.291 10.238 -5.695 1.00 32.15 H new ATOM 0 HG21 THR A 98 42.612 9.113 -4.408 1.00 32.59 H new ATOM 0 HG22 THR A 98 40.960 9.103 -5.071 1.00 32.59 H new ATOM 0 HG23 THR A 98 42.234 8.126 -5.840 1.00 32.59 H new ATOM 1460 N THR A 99 42.912 8.460 -8.509 1.00 31.74 N ATOM 1461 CA THR A 99 43.211 7.155 -9.078 1.00 31.18 C ATOM 1462 C THR A 99 44.244 6.447 -8.194 1.00 31.15 C ATOM 1463 O THR A 99 45.104 7.102 -7.597 1.00 31.92 O ATOM 1464 CB THR A 99 43.756 7.291 -10.523 1.00 31.73 C ATOM 1465 OG1 THR A 99 44.681 8.387 -10.579 1.00 32.77 O ATOM 1466 CG2 THR A 99 42.623 7.531 -11.537 1.00 31.59 C ATOM 0 H THR A 99 43.731 9.054 -8.380 1.00 31.74 H new ATOM 0 HA THR A 99 42.293 6.569 -9.118 1.00 31.18 H new ATOM 0 HB THR A 99 44.253 6.357 -10.786 1.00 31.73 H new ATOM 0 HG1 THR A 99 45.029 8.475 -11.491 1.00 32.77 H new ATOM 0 HG21 THR A 99 43.044 7.621 -12.538 1.00 31.59 H new ATOM 0 HG22 THR A 99 41.927 6.693 -11.510 1.00 31.59 H new ATOM 0 HG23 THR A 99 42.095 8.450 -11.282 1.00 31.59 H new ATOM 1474 N THR A 100 44.152 5.127 -8.067 1.00 30.32 N ATOM 1475 CA THR A 100 45.068 4.397 -7.208 1.00 30.31 C ATOM 1476 C THR A 100 45.291 2.978 -7.715 1.00 29.79 C ATOM 1477 O THR A 100 44.497 2.450 -8.494 1.00 29.19 O ATOM 1478 CB THR A 100 44.552 4.364 -5.750 1.00 29.94 C ATOM 1479 OG1 THR A 100 45.526 3.758 -4.890 1.00 30.23 O ATOM 1480 CG2 THR A 100 43.236 3.604 -5.638 1.00 28.90 C ATOM 0 H THR A 100 43.460 4.549 -8.543 1.00 30.32 H new ATOM 0 HA THR A 100 46.023 4.923 -7.229 1.00 30.31 H new ATOM 0 HB THR A 100 44.381 5.395 -5.442 1.00 29.94 H new ATOM 0 HG1 THR A 100 45.188 3.745 -3.970 1.00 30.23 H new ATOM 0 HG21 THR A 100 42.904 3.602 -4.600 1.00 28.90 H new ATOM 0 HG22 THR A 100 42.482 4.088 -6.259 1.00 28.90 H new ATOM 0 HG23 THR A 100 43.379 2.577 -5.975 1.00 28.90 H new ATOM 1488 N PHE A 101 46.399 2.389 -7.300 1.00 30.11 N ATOM 1489 CA PHE A 101 46.743 1.034 -7.690 1.00 29.74 C ATOM 1490 C PHE A 101 46.640 0.092 -6.503 1.00 29.28 C ATOM 1491 O PHE A 101 47.498 0.095 -5.624 1.00 29.75 O ATOM 1492 CB PHE A 101 48.161 0.989 -8.261 1.00 30.55 C ATOM 1493 CG PHE A 101 48.263 1.516 -9.668 1.00 30.86 C ATOM 1494 CD1 PHE A 101 48.261 0.643 -10.744 1.00 30.67 C ATOM 1495 CD2 PHE A 101 48.351 2.879 -9.917 1.00 31.41 C ATOM 1496 CE1 PHE A 101 48.346 1.113 -12.038 1.00 31.03 C ATOM 1497 CE2 PHE A 101 48.438 3.355 -11.214 1.00 31.76 C ATOM 1498 CZ PHE A 101 48.435 2.472 -12.275 1.00 31.57 C ATOM 0 H PHE A 101 47.082 2.834 -6.687 1.00 30.11 H new ATOM 0 HA PHE A 101 46.038 0.712 -8.457 1.00 29.74 H new ATOM 0 HB2 PHE A 101 48.822 1.569 -7.616 1.00 30.55 H new ATOM 0 HB3 PHE A 101 48.519 -0.040 -8.241 1.00 30.55 H new ATOM 0 HD1 PHE A 101 48.192 -0.420 -10.567 1.00 30.67 H new ATOM 0 HD2 PHE A 101 48.352 3.575 -9.091 1.00 31.41 H new ATOM 0 HE1 PHE A 101 48.343 0.419 -12.866 1.00 31.03 H new ATOM 0 HE2 PHE A 101 48.508 4.417 -11.396 1.00 31.76 H new ATOM 0 HZ PHE A 101 48.502 2.842 -13.287 1.00 31.57 H new ATOM 1508 N LYS A 102 45.561 -0.677 -6.449 1.00 28.42 N ATOM 1509 CA LYS A 102 45.376 -1.640 -5.380 1.00 27.96 C ATOM 1510 C LYS A 102 44.947 -2.988 -5.935 1.00 27.32 C ATOM 1511 O LYS A 102 43.771 -3.204 -6.223 1.00 26.80 O ATOM 1512 CB LYS A 102 44.347 -1.151 -4.362 1.00 27.61 C ATOM 1513 CG LYS A 102 44.725 0.147 -3.660 1.00 27.94 C ATOM 1514 CD LYS A 102 43.732 0.484 -2.562 1.00 27.68 C ATOM 1515 CE LYS A 102 43.575 -0.678 -1.599 1.00 27.51 C ATOM 1516 NZ LYS A 102 44.832 -0.970 -0.862 1.00 27.73 N ATOM 0 H LYS A 102 44.804 -0.651 -7.132 1.00 28.42 H new ATOM 0 HA LYS A 102 46.335 -1.752 -4.875 1.00 27.96 H new ATOM 0 HB2 LYS A 102 43.391 -1.012 -4.868 1.00 27.61 H new ATOM 0 HB3 LYS A 102 44.200 -1.927 -3.611 1.00 27.61 H new ATOM 0 HG2 LYS A 102 45.725 0.056 -3.235 1.00 27.94 H new ATOM 0 HG3 LYS A 102 44.759 0.960 -4.385 1.00 27.94 H new ATOM 0 HD2 LYS A 102 44.069 1.368 -2.020 1.00 27.68 H new ATOM 0 HD3 LYS A 102 42.766 0.729 -3.003 1.00 27.68 H new ATOM 0 HE2 LYS A 102 42.782 -0.452 -0.886 1.00 27.51 H new ATOM 0 HE3 LYS A 102 43.265 -1.565 -2.151 1.00 27.51 H new ATOM 0 HZ1 LYS A 102 44.660 -1.725 -0.168 1.00 27.73 H new ATOM 0 HZ2 LYS A 102 45.565 -1.277 -1.533 1.00 27.73 H new ATOM 0 HZ3 LYS A 102 45.152 -0.112 -0.368 1.00 27.73 H new ATOM 1530 N ASP A 103 45.915 -3.863 -6.148 1.00 27.47 N ATOM 1531 CA ASP A 103 45.635 -5.208 -6.629 1.00 26.99 C ATOM 1532 C ASP A 103 46.146 -6.218 -5.611 1.00 26.66 C ATOM 1533 O ASP A 103 47.199 -6.008 -5.002 1.00 27.04 O ATOM 1534 CB ASP A 103 46.276 -5.458 -8.003 1.00 27.47 C ATOM 1535 CG ASP A 103 45.833 -6.774 -8.615 1.00 27.51 C ATOM 1536 OD1 ASP A 103 46.441 -7.818 -8.289 1.00 27.33 O ATOM 1537 OD2 ASP A 103 44.894 -6.767 -9.437 1.00 27.82 O ATOM 0 H ASP A 103 46.904 -3.667 -5.995 1.00 27.47 H new ATOM 0 HA ASP A 103 44.557 -5.320 -6.749 1.00 26.99 H new ATOM 0 HB2 ASP A 103 46.016 -4.641 -8.676 1.00 27.47 H new ATOM 0 HB3 ASP A 103 47.361 -5.454 -7.901 1.00 27.47 H new ATOM 1542 N PRO A 104 45.379 -7.291 -5.358 1.00 26.03 N ATOM 1543 CA PRO A 104 45.752 -8.327 -4.387 1.00 25.74 C ATOM 1544 C PRO A 104 47.049 -9.061 -4.749 1.00 26.01 C ATOM 1545 O PRO A 104 47.605 -9.779 -3.918 1.00 25.99 O ATOM 1546 CB PRO A 104 44.560 -9.305 -4.420 1.00 25.14 C ATOM 1547 CG PRO A 104 43.876 -9.026 -5.714 1.00 25.07 C ATOM 1548 CD PRO A 104 44.065 -7.561 -5.963 1.00 25.65 C ATOM 0 HA PRO A 104 45.945 -7.893 -3.406 1.00 25.74 H new ATOM 0 HB2 PRO A 104 44.896 -10.340 -4.365 1.00 25.14 H new ATOM 0 HB3 PRO A 104 43.891 -9.142 -3.575 1.00 25.14 H new ATOM 0 HG2 PRO A 104 44.307 -9.619 -6.521 1.00 25.07 H new ATOM 0 HG3 PRO A 104 42.818 -9.281 -5.661 1.00 25.07 H new ATOM 0 HD2 PRO A 104 44.055 -7.328 -7.028 1.00 25.65 H new ATOM 0 HD3 PRO A 104 43.277 -6.968 -5.499 1.00 25.65 H new ATOM 1556 N ARG A 105 47.507 -8.919 -5.988 1.00 26.35 N ATOM 1557 CA ARG A 105 48.750 -9.559 -6.413 1.00 26.73 C ATOM 1558 C ARG A 105 49.921 -8.572 -6.329 1.00 27.46 C ATOM 1559 O ARG A 105 49.981 -7.622 -7.108 1.00 27.80 O ATOM 1560 CB ARG A 105 48.630 -10.088 -7.852 1.00 26.76 C ATOM 1561 CG ARG A 105 48.006 -11.475 -7.977 1.00 26.26 C ATOM 1562 CD ARG A 105 46.603 -11.539 -7.392 1.00 25.68 C ATOM 1563 NE ARG A 105 46.036 -12.886 -7.474 1.00 25.63 N ATOM 1564 CZ ARG A 105 45.031 -13.328 -6.720 1.00 25.39 C ATOM 1565 NH1 ARG A 105 44.465 -12.533 -5.816 1.00 25.18 N ATOM 1566 NH2 ARG A 105 44.593 -14.570 -6.870 1.00 25.45 N ATOM 0 H ARG A 105 47.042 -8.371 -6.712 1.00 26.35 H new ATOM 0 HA ARG A 105 48.938 -10.397 -5.742 1.00 26.73 H new ATOM 0 HB2 ARG A 105 48.035 -9.384 -8.434 1.00 26.76 H new ATOM 0 HB3 ARG A 105 49.624 -10.111 -8.299 1.00 26.76 H new ATOM 0 HG2 ARG A 105 47.971 -11.760 -9.028 1.00 26.26 H new ATOM 0 HG3 ARG A 105 48.641 -12.202 -7.470 1.00 26.26 H new ATOM 0 HD2 ARG A 105 46.630 -11.220 -6.350 1.00 25.68 H new ATOM 0 HD3 ARG A 105 45.956 -10.840 -7.923 1.00 25.68 H new ATOM 0 HE ARG A 105 46.438 -13.530 -8.155 1.00 25.63 H new ATOM 0 HH11 ARG A 105 44.800 -11.577 -5.696 1.00 25.18 H new ATOM 0 HH12 ARG A 105 43.696 -12.879 -5.243 1.00 25.18 H new ATOM 0 HH21 ARG A 105 45.025 -15.183 -7.561 1.00 25.45 H new ATOM 0 HH22 ARG A 105 43.824 -14.912 -6.295 1.00 25.45 H new ATOM 1580 N PRO A 106 50.863 -8.753 -5.377 1.00 27.81 N ATOM 1581 CA PRO A 106 52.003 -7.845 -5.254 1.00 28.58 C ATOM 1582 C PRO A 106 53.093 -8.161 -6.275 1.00 29.15 C ATOM 1583 O PRO A 106 53.615 -9.278 -6.323 1.00 29.20 O ATOM 1584 CB PRO A 106 52.499 -8.087 -3.827 1.00 28.76 C ATOM 1585 CG PRO A 106 52.123 -9.498 -3.526 1.00 28.29 C ATOM 1586 CD PRO A 106 50.903 -9.826 -4.358 1.00 27.58 C ATOM 0 HA PRO A 106 51.731 -6.807 -5.443 1.00 28.58 H new ATOM 0 HB2 PRO A 106 53.577 -7.941 -3.753 1.00 28.76 H new ATOM 0 HB3 PRO A 106 52.034 -7.395 -3.124 1.00 28.76 H new ATOM 0 HG2 PRO A 106 52.944 -10.174 -3.765 1.00 28.29 H new ATOM 0 HG3 PRO A 106 51.908 -9.620 -2.464 1.00 28.29 H new ATOM 0 HD2 PRO A 106 50.987 -10.810 -4.819 1.00 27.58 H new ATOM 0 HD3 PRO A 106 49.997 -9.834 -3.752 1.00 27.58 H new ATOM 1594 N GLY A 107 53.382 -7.192 -7.140 1.00 29.63 N ATOM 1595 CA GLY A 107 54.379 -7.380 -8.182 1.00 30.26 C ATOM 1596 C GLY A 107 53.830 -8.149 -9.375 1.00 30.07 C ATOM 1597 O GLY A 107 54.300 -7.969 -10.502 1.00 30.61 O ATOM 0 H GLY A 107 52.940 -6.273 -7.138 1.00 29.63 H new ATOM 0 HA2 GLY A 107 54.741 -6.407 -8.515 1.00 30.26 H new ATOM 0 HA3 GLY A 107 55.235 -7.915 -7.770 1.00 30.26 H new ATOM 1601 N PHE A 108 52.836 -9.016 -9.122 1.00 29.36 N ATOM 1602 CA PHE A 108 52.193 -9.826 -10.181 1.00 29.20 C ATOM 1603 C PHE A 108 53.183 -10.845 -10.755 1.00 29.85 C ATOM 1604 O PHE A 108 52.883 -11.549 -11.717 1.00 30.10 O ATOM 1605 CB PHE A 108 51.650 -8.910 -11.296 1.00 29.02 C ATOM 1606 CG PHE A 108 50.387 -9.415 -11.936 1.00 28.90 C ATOM 1607 CD1 PHE A 108 49.154 -9.178 -11.345 1.00 29.07 C ATOM 1608 CD2 PHE A 108 50.431 -10.121 -13.131 1.00 28.70 C ATOM 1609 CE1 PHE A 108 47.995 -9.632 -11.935 1.00 29.04 C ATOM 1610 CE2 PHE A 108 49.270 -10.578 -13.724 1.00 28.68 C ATOM 1611 CZ PHE A 108 48.052 -10.334 -13.125 1.00 28.85 C ATOM 0 H PHE A 108 52.456 -9.178 -8.190 1.00 29.36 H new ATOM 0 HA PHE A 108 51.358 -10.372 -9.743 1.00 29.20 H new ATOM 0 HB2 PHE A 108 51.465 -7.919 -10.881 1.00 29.02 H new ATOM 0 HB3 PHE A 108 52.415 -8.796 -12.064 1.00 29.02 H new ATOM 0 HD1 PHE A 108 49.103 -8.633 -10.414 1.00 29.07 H new ATOM 0 HD2 PHE A 108 51.383 -10.315 -13.602 1.00 28.70 H new ATOM 0 HE1 PHE A 108 47.041 -9.439 -11.468 1.00 29.04 H new ATOM 0 HE2 PHE A 108 49.316 -11.125 -14.654 1.00 28.68 H new ATOM 0 HZ PHE A 108 47.143 -10.691 -13.585 1.00 28.85 H new ATOM 1621 N GLU A 109 54.346 -10.940 -10.120 1.00 30.16 N ATOM 1622 CA GLU A 109 55.402 -11.848 -10.531 1.00 30.84 C ATOM 1623 C GLU A 109 56.445 -11.925 -9.422 1.00 31.39 C ATOM 1624 O GLU A 109 56.489 -12.947 -8.706 1.00 31.70 O ATOM 1625 CB GLU A 109 56.045 -11.363 -11.836 1.00 30.99 C ATOM 1626 CG GLU A 109 57.175 -12.245 -12.348 1.00 31.54 C ATOM 1627 CD GLU A 109 56.734 -13.663 -12.658 1.00 31.75 C ATOM 1628 OE1 GLU A 109 56.383 -13.946 -13.821 1.00 32.01 O ATOM 1629 OE2 GLU A 109 56.715 -14.498 -11.730 1.00 31.74 O ATOM 1630 OXT GLU A 109 57.194 -10.943 -9.245 1.00 31.58 O ATOM 0 H GLU A 109 54.581 -10.383 -9.299 1.00 30.16 H new ATOM 0 HA GLU A 109 54.984 -12.839 -10.708 1.00 30.84 H new ATOM 0 HB2 GLU A 109 55.274 -11.299 -12.604 1.00 30.99 H new ATOM 0 HB3 GLU A 109 56.429 -10.354 -11.684 1.00 30.99 H new ATOM 0 HG2 GLU A 109 57.597 -11.798 -13.248 1.00 31.54 H new ATOM 0 HG3 GLU A 109 57.971 -12.274 -11.603 1.00 31.54 H new TER 1637 GLU A 109