USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 507 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 34 LYS NZ :NH3+ 173:sc= 0 (180deg=0) USER MOD Set 1.2: A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.0152 K(o=-0.015,f=-0.66) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0629 X(o=-0.063,f=-0.0067) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.0151 X(o=-0.015,f=-0.24) USER MOD Single : A 23 SER OG : rot 89:sc= 0.572 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0858 K(o=-0.086,f=-1.7!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 72:sc= 0.00298 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.750 -21.057 1.977 1.00 0.00 N ATOM 2 CA MET A 1 21.654 -20.963 3.117 1.00 0.00 C ATOM 3 C MET A 1 21.365 -19.711 3.939 1.00 0.00 C ATOM 4 O MET A 1 22.190 -18.800 4.012 1.00 0.00 O ATOM 5 CB MET A 1 23.108 -20.951 2.643 1.00 0.00 C ATOM 6 CG MET A 1 23.644 -22.330 2.292 1.00 0.00 C ATOM 7 SD MET A 1 25.435 -22.346 2.079 1.00 0.00 S ATOM 8 CE MET A 1 25.570 -22.931 0.392 1.00 0.00 C ATOM 0 H1 MET A 1 20.966 -21.917 1.433 1.00 0.00 H new ATOM 0 H2 MET A 1 19.768 -21.099 2.316 1.00 0.00 H new ATOM 0 H3 MET A 1 20.871 -20.222 1.368 1.00 0.00 H new ATOM 0 HA MET A 1 21.493 -21.836 3.749 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.192 -20.304 1.769 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.732 -20.515 3.423 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.369 -23.033 3.078 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.170 -22.677 1.374 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.621 -22.995 0.112 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.113 -23.917 0.311 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.058 -22.238 -0.276 1.00 0.00 H new ATOM 18 N VAL A 2 20.188 -19.672 4.556 1.00 0.00 N ATOM 19 CA VAL A 2 19.791 -18.532 5.373 1.00 0.00 C ATOM 20 C VAL A 2 18.434 -18.770 6.027 1.00 0.00 C ATOM 21 O VAL A 2 18.202 -18.364 7.166 1.00 0.00 O ATOM 22 CB VAL A 2 19.725 -17.239 4.539 1.00 0.00 C ATOM 23 CG1 VAL A 2 18.778 -17.410 3.361 1.00 0.00 C ATOM 24 CG2 VAL A 2 19.302 -16.065 5.408 1.00 0.00 C ATOM 0 H VAL A 2 19.493 -20.417 4.505 1.00 0.00 H new ATOM 0 HA VAL A 2 20.550 -18.419 6.147 1.00 0.00 H new ATOM 0 HB VAL A 2 20.720 -17.030 4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 2 18.745 -16.486 2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 2 19.131 -18.222 2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 2 17.779 -17.644 3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 2 19.261 -15.160 4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 2 18.318 -16.263 5.832 1.00 0.00 H new ATOM 0 HG23 VAL A 2 20.024 -15.930 6.213 1.00 0.00 H new ATOM 34 N SER A 3 17.541 -19.433 5.299 1.00 0.00 N ATOM 35 CA SER A 3 16.205 -19.724 5.807 1.00 0.00 C ATOM 36 C SER A 3 15.481 -20.711 4.897 1.00 0.00 C ATOM 37 O SER A 3 15.257 -20.435 3.719 1.00 0.00 O ATOM 38 CB SER A 3 15.392 -18.434 5.930 1.00 0.00 C ATOM 39 OG SER A 3 14.825 -18.310 7.223 1.00 0.00 O ATOM 0 H SER A 3 17.718 -19.779 4.356 1.00 0.00 H new ATOM 0 HA SER A 3 16.308 -20.176 6.794 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.033 -17.576 5.727 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.601 -18.426 5.180 1.00 0.00 H new ATOM 0 HG SER A 3 14.312 -17.477 7.277 1.00 0.00 H new ATOM 45 N GLN A 4 15.118 -21.862 5.453 1.00 0.00 N ATOM 46 CA GLN A 4 14.419 -22.891 4.692 1.00 0.00 C ATOM 47 C GLN A 4 13.003 -23.092 5.221 1.00 0.00 C ATOM 48 O GLN A 4 12.062 -23.281 4.450 1.00 0.00 O ATOM 49 CB GLN A 4 15.191 -24.211 4.750 1.00 0.00 C ATOM 50 CG GLN A 4 16.095 -24.440 3.550 1.00 0.00 C ATOM 51 CD GLN A 4 17.317 -25.270 3.891 1.00 0.00 C ATOM 52 OE1 GLN A 4 17.321 -26.018 4.869 1.00 0.00 O ATOM 53 NE2 GLN A 4 18.364 -25.143 3.083 1.00 0.00 N ATOM 0 H GLN A 4 15.296 -22.106 6.427 1.00 0.00 H new ATOM 0 HA GLN A 4 14.356 -22.561 3.655 1.00 0.00 H new ATOM 0 HB2 GLN A 4 15.794 -24.230 5.658 1.00 0.00 H new ATOM 0 HB3 GLN A 4 14.481 -25.035 4.822 1.00 0.00 H new ATOM 0 HG2 GLN A 4 15.529 -24.939 2.763 1.00 0.00 H new ATOM 0 HG3 GLN A 4 16.414 -23.477 3.151 1.00 0.00 H new ATOM 0 HE21 GLN A 4 18.318 -24.511 2.283 1.00 0.00 H new ATOM 0 HE22 GLN A 4 19.214 -25.677 3.262 1.00 0.00 H new ATOM 62 N LYS A 5 12.859 -23.052 6.541 1.00 0.00 N ATOM 63 CA LYS A 5 11.557 -23.230 7.174 1.00 0.00 C ATOM 64 C LYS A 5 10.719 -21.960 7.061 1.00 0.00 C ATOM 65 O LYS A 5 10.842 -21.050 7.879 1.00 0.00 O ATOM 66 CB LYS A 5 11.731 -23.609 8.647 1.00 0.00 C ATOM 67 CG LYS A 5 11.426 -25.068 8.939 1.00 0.00 C ATOM 68 CD LYS A 5 11.798 -25.440 10.365 1.00 0.00 C ATOM 69 CE LYS A 5 13.154 -26.127 10.426 1.00 0.00 C ATOM 70 NZ LYS A 5 13.232 -27.101 11.549 1.00 0.00 N ATOM 0 H LYS A 5 13.628 -22.898 7.194 1.00 0.00 H new ATOM 0 HA LYS A 5 11.036 -24.036 6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 5 12.755 -23.393 8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.079 -22.981 9.255 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.365 -25.259 8.777 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.974 -25.702 8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.815 -24.543 10.984 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.036 -26.099 10.781 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.343 -26.643 9.484 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.936 -25.377 10.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.171 -27.548 11.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.077 -26.605 12.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.502 -27.832 11.426 1.00 0.00 H new ATOM 84 N ASN A 6 9.868 -21.908 6.042 1.00 0.00 N ATOM 85 CA ASN A 6 9.009 -20.750 5.823 1.00 0.00 C ATOM 86 C ASN A 6 7.959 -21.045 4.756 1.00 0.00 C ATOM 87 O ASN A 6 8.093 -21.994 3.984 1.00 0.00 O ATOM 88 CB ASN A 6 9.846 -19.538 5.408 1.00 0.00 C ATOM 89 CG ASN A 6 9.200 -18.225 5.806 1.00 0.00 C ATOM 90 OD1 ASN A 6 8.825 -17.422 4.953 1.00 0.00 O ATOM 91 ND2 ASN A 6 9.068 -18.002 7.109 1.00 0.00 N ATOM 0 H ASN A 6 9.755 -22.654 5.355 1.00 0.00 H new ATOM 0 HA ASN A 6 8.498 -20.527 6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 6 10.833 -19.608 5.866 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.994 -19.554 4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 6 8.641 -17.136 7.437 1.00 0.00 H new ATOM 0 HD22 ASN A 6 9.394 -18.697 7.781 1.00 0.00 H new ATOM 98 N GLY A 7 6.914 -20.224 4.718 1.00 0.00 N ATOM 99 CA GLY A 7 5.857 -20.414 3.742 1.00 0.00 C ATOM 100 C GLY A 7 6.382 -20.466 2.321 1.00 0.00 C ATOM 101 O GLY A 7 7.030 -19.527 1.857 1.00 0.00 O ATOM 0 H GLY A 7 6.781 -19.431 5.345 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.324 -21.339 3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.135 -19.602 3.830 1.00 0.00 H new ATOM 105 N ILE A 8 6.105 -21.566 1.629 1.00 0.00 N ATOM 106 CA ILE A 8 6.555 -21.736 0.253 1.00 0.00 C ATOM 107 C ILE A 8 5.399 -21.571 -0.728 1.00 0.00 C ATOM 108 O ILE A 8 5.564 -21.006 -1.808 1.00 0.00 O ATOM 109 CB ILE A 8 7.202 -23.117 0.039 1.00 0.00 C ATOM 110 CG1 ILE A 8 8.368 -23.315 1.010 1.00 0.00 C ATOM 111 CG2 ILE A 8 7.673 -23.264 -1.400 1.00 0.00 C ATOM 112 CD1 ILE A 8 9.443 -22.258 0.887 1.00 0.00 C ATOM 0 H ILE A 8 5.571 -22.353 1.999 1.00 0.00 H new ATOM 0 HA ILE A 8 7.300 -20.962 0.067 1.00 0.00 H new ATOM 0 HB ILE A 8 6.455 -23.886 0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.985 -23.315 2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.812 -24.295 0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 8 8.128 -24.245 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.822 -23.162 -2.074 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.407 -22.490 -1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 8 10.237 -22.462 1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 8 9.854 -22.273 -0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 8 9.013 -21.277 1.090 1.00 0.00 H new ATOM 124 N ALA A 9 4.228 -22.068 -0.343 1.00 0.00 N ATOM 125 CA ALA A 9 3.043 -21.972 -1.186 1.00 0.00 C ATOM 126 C ALA A 9 2.745 -20.522 -1.552 1.00 0.00 C ATOM 127 O ALA A 9 2.740 -20.155 -2.727 1.00 0.00 O ATOM 128 CB ALA A 9 1.846 -22.599 -0.487 1.00 0.00 C ATOM 0 H ALA A 9 4.075 -22.541 0.548 1.00 0.00 H new ATOM 0 HA ALA A 9 3.239 -22.519 -2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.968 -22.520 -1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.053 -23.649 -0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.658 -22.077 0.451 1.00 0.00 H new ATOM 134 N THR A 10 2.497 -19.699 -0.537 1.00 0.00 N ATOM 135 CA THR A 10 2.196 -18.290 -0.752 1.00 0.00 C ATOM 136 C THR A 10 3.353 -17.580 -1.444 1.00 0.00 C ATOM 137 O THR A 10 3.148 -16.639 -2.212 1.00 0.00 O ATOM 138 CB THR A 10 1.889 -17.572 0.576 1.00 0.00 C ATOM 139 OG1 THR A 10 2.207 -18.427 1.680 1.00 0.00 O ATOM 140 CG2 THR A 10 0.424 -17.168 0.647 1.00 0.00 C ATOM 0 H THR A 10 2.499 -19.985 0.442 1.00 0.00 H new ATOM 0 HA THR A 10 1.314 -18.250 -1.391 1.00 0.00 H new ATOM 0 HB THR A 10 2.501 -16.671 0.626 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.011 -17.963 2.520 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.231 -16.663 1.593 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.192 -16.494 -0.178 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.202 -18.057 0.576 1.00 0.00 H new ATOM 148 N LEU A 11 4.570 -18.036 -1.169 1.00 0.00 N ATOM 149 CA LEU A 11 5.762 -17.444 -1.767 1.00 0.00 C ATOM 150 C LEU A 11 5.782 -17.666 -3.276 1.00 0.00 C ATOM 151 O LEU A 11 6.299 -16.840 -4.029 1.00 0.00 O ATOM 152 CB LEU A 11 7.022 -18.040 -1.136 1.00 0.00 C ATOM 153 CG LEU A 11 8.325 -17.282 -1.395 1.00 0.00 C ATOM 154 CD1 LEU A 11 8.204 -15.838 -0.931 1.00 0.00 C ATOM 155 CD2 LEU A 11 9.490 -17.971 -0.701 1.00 0.00 C ATOM 0 H LEU A 11 4.758 -18.814 -0.536 1.00 0.00 H new ATOM 0 HA LEU A 11 5.740 -16.371 -1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.870 -18.103 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.140 -19.060 -1.502 1.00 0.00 H new ATOM 0 HG LEU A 11 8.516 -17.283 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.140 -15.314 -1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.396 -15.348 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.989 -15.816 0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.409 -17.418 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.307 -18.002 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.591 -18.987 -1.082 1.00 0.00 H new ATOM 167 N LEU A 12 5.214 -18.785 -3.712 1.00 0.00 N ATOM 168 CA LEU A 12 5.164 -19.115 -5.132 1.00 0.00 C ATOM 169 C LEU A 12 4.465 -18.014 -5.923 1.00 0.00 C ATOM 170 O LEU A 12 4.779 -17.780 -7.089 1.00 0.00 O ATOM 171 CB LEU A 12 4.441 -20.447 -5.341 1.00 0.00 C ATOM 172 CG LEU A 12 4.593 -21.084 -6.723 1.00 0.00 C ATOM 173 CD1 LEU A 12 5.885 -21.882 -6.803 1.00 0.00 C ATOM 174 CD2 LEU A 12 3.396 -21.969 -7.037 1.00 0.00 C ATOM 0 H LEU A 12 4.782 -19.479 -3.102 1.00 0.00 H new ATOM 0 HA LEU A 12 6.188 -19.203 -5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.803 -21.155 -4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.379 -20.295 -5.148 1.00 0.00 H new ATOM 0 HG LEU A 12 4.635 -20.288 -7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.976 -22.328 -7.793 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.733 -21.221 -6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.873 -22.670 -6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.521 -22.414 -8.024 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.322 -22.759 -6.290 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.486 -21.369 -7.022 1.00 0.00 H new ATOM 186 N GLN A 13 3.518 -17.340 -5.278 1.00 0.00 N ATOM 187 CA GLN A 13 2.776 -16.262 -5.922 1.00 0.00 C ATOM 188 C GLN A 13 3.673 -15.053 -6.164 1.00 0.00 C ATOM 189 O GLN A 13 3.651 -14.457 -7.240 1.00 0.00 O ATOM 190 CB GLN A 13 1.576 -15.858 -5.064 1.00 0.00 C ATOM 191 CG GLN A 13 0.340 -16.711 -5.306 1.00 0.00 C ATOM 192 CD GLN A 13 -0.548 -16.153 -6.401 1.00 0.00 C ATOM 193 OE1 GLN A 13 -0.535 -16.638 -7.533 1.00 0.00 O ATOM 194 NE2 GLN A 13 -1.325 -15.130 -6.069 1.00 0.00 N ATOM 0 H GLN A 13 3.247 -17.521 -4.312 1.00 0.00 H new ATOM 0 HA GLN A 13 2.419 -16.625 -6.886 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.853 -15.925 -4.012 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.332 -14.815 -5.264 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.647 -17.722 -5.573 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.233 -16.785 -4.381 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.303 -14.760 -5.119 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.944 -14.713 -6.764 1.00 0.00 H new ATOM 203 N ALA A 14 4.461 -14.696 -5.155 1.00 0.00 N ATOM 204 CA ALA A 14 5.367 -13.558 -5.260 1.00 0.00 C ATOM 205 C ALA A 14 6.461 -13.820 -6.289 1.00 0.00 C ATOM 206 O ALA A 14 6.807 -12.941 -7.077 1.00 0.00 O ATOM 207 CB ALA A 14 5.980 -13.246 -3.903 1.00 0.00 C ATOM 0 H ALA A 14 4.491 -15.178 -4.256 1.00 0.00 H new ATOM 0 HA ALA A 14 4.790 -12.695 -5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.654 -12.395 -3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.189 -13.007 -3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.537 -14.113 -3.547 1.00 0.00 H new ATOM 213 N GLU A 15 7.002 -15.035 -6.275 1.00 0.00 N ATOM 214 CA GLU A 15 8.058 -15.410 -7.207 1.00 0.00 C ATOM 215 C GLU A 15 7.534 -15.440 -8.640 1.00 0.00 C ATOM 216 O GLU A 15 8.172 -14.923 -9.557 1.00 0.00 O ATOM 217 CB GLU A 15 8.635 -16.778 -6.835 1.00 0.00 C ATOM 218 CG GLU A 15 9.977 -17.070 -7.484 1.00 0.00 C ATOM 219 CD GLU A 15 11.120 -17.065 -6.487 1.00 0.00 C ATOM 220 OE1 GLU A 15 11.525 -15.965 -6.055 1.00 0.00 O ATOM 221 OE2 GLU A 15 11.609 -18.160 -6.138 1.00 0.00 O ATOM 0 H GLU A 15 6.726 -15.775 -5.629 1.00 0.00 H new ATOM 0 HA GLU A 15 8.847 -14.661 -7.142 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.745 -16.834 -5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.925 -17.553 -7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.934 -18.041 -7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.171 -16.327 -8.258 1.00 0.00 H new ATOM 228 N LYS A 16 6.368 -16.049 -8.825 1.00 0.00 N ATOM 229 CA LYS A 16 5.756 -16.147 -10.145 1.00 0.00 C ATOM 230 C LYS A 16 5.460 -14.762 -10.711 1.00 0.00 C ATOM 231 O LYS A 16 5.821 -14.457 -11.847 1.00 0.00 O ATOM 232 CB LYS A 16 4.466 -16.966 -10.072 1.00 0.00 C ATOM 233 CG LYS A 16 4.696 -18.467 -10.102 1.00 0.00 C ATOM 234 CD LYS A 16 3.410 -19.223 -10.393 1.00 0.00 C ATOM 235 CE LYS A 16 3.505 -20.004 -11.695 1.00 0.00 C ATOM 236 NZ LYS A 16 2.197 -20.061 -12.404 1.00 0.00 N ATOM 0 H LYS A 16 5.827 -16.483 -8.077 1.00 0.00 H new ATOM 0 HA LYS A 16 6.460 -16.649 -10.808 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.932 -16.707 -9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.822 -16.689 -10.906 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.440 -18.707 -10.862 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.102 -18.793 -9.144 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.195 -19.907 -9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.578 -18.521 -10.449 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.249 -19.541 -12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.850 -21.017 -11.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.304 -20.602 -13.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.493 -20.526 -11.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.880 -19.096 -12.626 1.00 0.00 H new ATOM 250 N GLU A 17 4.803 -13.928 -9.911 1.00 0.00 N ATOM 251 CA GLU A 17 4.460 -12.576 -10.334 1.00 0.00 C ATOM 252 C GLU A 17 5.716 -11.773 -10.661 1.00 0.00 C ATOM 253 O GLU A 17 5.775 -11.080 -11.677 1.00 0.00 O ATOM 254 CB GLU A 17 3.657 -11.864 -9.242 1.00 0.00 C ATOM 255 CG GLU A 17 2.782 -10.738 -9.767 1.00 0.00 C ATOM 256 CD GLU A 17 2.131 -9.939 -8.654 1.00 0.00 C ATOM 257 OE1 GLU A 17 1.068 -10.369 -8.158 1.00 0.00 O ATOM 258 OE2 GLU A 17 2.684 -8.884 -8.280 1.00 0.00 O ATOM 0 H GLU A 17 4.498 -14.165 -8.967 1.00 0.00 H new ATOM 0 HA GLU A 17 3.851 -12.649 -11.235 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.028 -12.593 -8.731 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.346 -11.461 -8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.385 -10.071 -10.383 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.008 -11.154 -10.411 1.00 0.00 H new ATOM 265 N ALA A 18 6.717 -11.872 -9.793 1.00 0.00 N ATOM 266 CA ALA A 18 7.972 -11.158 -9.990 1.00 0.00 C ATOM 267 C ALA A 18 8.618 -11.538 -11.319 1.00 0.00 C ATOM 268 O ALA A 18 9.036 -10.671 -12.088 1.00 0.00 O ATOM 269 CB ALA A 18 8.926 -11.439 -8.839 1.00 0.00 C ATOM 0 H ALA A 18 6.683 -12.440 -8.946 1.00 0.00 H new ATOM 0 HA ALA A 18 7.753 -10.090 -10.014 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.859 -10.899 -9.000 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.474 -11.111 -7.903 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.130 -12.509 -8.788 1.00 0.00 H new ATOM 275 N HIS A 19 8.697 -12.838 -11.583 1.00 0.00 N ATOM 276 CA HIS A 19 9.292 -13.333 -12.819 1.00 0.00 C ATOM 277 C HIS A 19 8.457 -12.919 -14.027 1.00 0.00 C ATOM 278 O HIS A 19 8.994 -12.649 -15.101 1.00 0.00 O ATOM 279 CB HIS A 19 9.423 -14.855 -12.773 1.00 0.00 C ATOM 280 CG HIS A 19 10.787 -15.326 -12.369 1.00 0.00 C ATOM 281 ND1 HIS A 19 11.937 -14.966 -13.040 1.00 0.00 N ATOM 282 CD2 HIS A 19 11.180 -16.133 -11.356 1.00 0.00 C ATOM 283 CE1 HIS A 19 12.979 -15.532 -12.457 1.00 0.00 C ATOM 284 NE2 HIS A 19 12.547 -16.245 -11.432 1.00 0.00 N ATOM 0 H HIS A 19 8.356 -13.568 -10.957 1.00 0.00 H new ATOM 0 HA HIS A 19 10.285 -12.893 -12.917 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.688 -15.254 -12.074 1.00 0.00 H new ATOM 0 HB3 HIS A 19 9.183 -15.262 -13.755 1.00 0.00 H new ATOM 0 HD2 HIS A 19 10.538 -16.602 -10.624 1.00 0.00 H new ATOM 0 HE1 HIS A 19 14.009 -15.429 -12.766 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.133 -16.790 -10.800 1.00 0.00 H new ATOM 292 N GLU A 20 7.141 -12.871 -13.843 1.00 0.00 N ATOM 293 CA GLU A 20 6.233 -12.492 -14.919 1.00 0.00 C ATOM 294 C GLU A 20 6.474 -11.048 -15.351 1.00 0.00 C ATOM 295 O GLU A 20 6.581 -10.755 -16.542 1.00 0.00 O ATOM 296 CB GLU A 20 4.779 -12.667 -14.475 1.00 0.00 C ATOM 297 CG GLU A 20 3.969 -13.571 -15.389 1.00 0.00 C ATOM 298 CD GLU A 20 4.058 -15.032 -14.994 1.00 0.00 C ATOM 299 OE1 GLU A 20 4.928 -15.369 -14.163 1.00 0.00 O ATOM 300 OE2 GLU A 20 3.260 -15.838 -15.515 1.00 0.00 O ATOM 0 H GLU A 20 6.681 -13.090 -12.960 1.00 0.00 H new ATOM 0 HA GLU A 20 6.427 -13.145 -15.770 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.763 -13.077 -13.465 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.301 -11.688 -14.429 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.925 -13.257 -15.372 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.321 -13.454 -16.414 1.00 0.00 H new ATOM 307 N ILE A 21 6.557 -10.151 -14.374 1.00 0.00 N ATOM 308 CA ILE A 21 6.785 -8.739 -14.652 1.00 0.00 C ATOM 309 C ILE A 21 8.178 -8.510 -15.229 1.00 0.00 C ATOM 310 O ILE A 21 8.345 -7.788 -16.211 1.00 0.00 O ATOM 311 CB ILE A 21 6.620 -7.881 -13.383 1.00 0.00 C ATOM 312 CG1 ILE A 21 5.218 -8.061 -12.799 1.00 0.00 C ATOM 313 CG2 ILE A 21 6.886 -6.416 -13.696 1.00 0.00 C ATOM 314 CD1 ILE A 21 4.116 -7.567 -13.709 1.00 0.00 C ATOM 0 H ILE A 21 6.470 -10.377 -13.383 1.00 0.00 H new ATOM 0 HA ILE A 21 6.037 -8.437 -15.385 1.00 0.00 H new ATOM 0 HB ILE A 21 7.347 -8.211 -12.641 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.055 -9.117 -12.585 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.158 -7.531 -11.849 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.766 -5.823 -12.790 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.903 -6.303 -14.071 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.180 -6.071 -14.452 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.150 -7.727 -13.230 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.254 -6.503 -13.903 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.149 -8.115 -14.651 1.00 0.00 H new ATOM 326 N VAL A 22 9.178 -9.133 -14.611 1.00 0.00 N ATOM 327 CA VAL A 22 10.557 -9.000 -15.065 1.00 0.00 C ATOM 328 C VAL A 22 10.736 -9.587 -16.461 1.00 0.00 C ATOM 329 O VAL A 22 11.484 -9.052 -17.279 1.00 0.00 O ATOM 330 CB VAL A 22 11.535 -9.696 -14.099 1.00 0.00 C ATOM 331 CG1 VAL A 22 12.964 -9.573 -14.605 1.00 0.00 C ATOM 332 CG2 VAL A 22 11.404 -9.114 -12.699 1.00 0.00 C ATOM 0 H VAL A 22 9.058 -9.734 -13.796 1.00 0.00 H new ATOM 0 HA VAL A 22 10.780 -7.933 -15.091 1.00 0.00 H new ATOM 0 HB VAL A 22 11.282 -10.755 -14.053 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.640 -10.070 -13.910 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.044 -10.041 -15.586 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.233 -8.520 -14.682 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.102 -9.617 -12.029 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.630 -8.048 -12.725 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.386 -9.260 -12.338 1.00 0.00 H new ATOM 342 N SER A 23 10.042 -10.689 -16.727 1.00 0.00 N ATOM 343 CA SER A 23 10.126 -11.351 -18.023 1.00 0.00 C ATOM 344 C SER A 23 9.471 -10.503 -19.109 1.00 0.00 C ATOM 345 O SER A 23 10.026 -10.324 -20.193 1.00 0.00 O ATOM 346 CB SER A 23 9.458 -12.726 -17.962 1.00 0.00 C ATOM 347 OG SER A 23 10.299 -13.673 -17.325 1.00 0.00 O ATOM 0 H SER A 23 9.415 -11.142 -16.062 1.00 0.00 H new ATOM 0 HA SER A 23 11.180 -11.478 -18.271 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.514 -12.652 -17.422 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.222 -13.065 -18.971 1.00 0.00 H new ATOM 0 HG SER A 23 10.134 -13.659 -16.359 1.00 0.00 H new ATOM 353 N LYS A 24 8.285 -9.984 -18.811 1.00 0.00 N ATOM 354 CA LYS A 24 7.552 -9.153 -19.759 1.00 0.00 C ATOM 355 C LYS A 24 8.293 -7.847 -20.024 1.00 0.00 C ATOM 356 O LYS A 24 8.464 -7.442 -21.174 1.00 0.00 O ATOM 357 CB LYS A 24 6.147 -8.857 -19.229 1.00 0.00 C ATOM 358 CG LYS A 24 5.047 -9.585 -19.982 1.00 0.00 C ATOM 359 CD LYS A 24 4.948 -9.110 -21.422 1.00 0.00 C ATOM 360 CE LYS A 24 4.014 -9.992 -22.237 1.00 0.00 C ATOM 361 NZ LYS A 24 2.751 -9.286 -22.589 1.00 0.00 N ATOM 0 H LYS A 24 7.810 -10.124 -17.919 1.00 0.00 H new ATOM 0 HA LYS A 24 7.471 -9.701 -20.698 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.099 -9.134 -18.176 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.965 -7.784 -19.285 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.241 -10.657 -19.964 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.093 -9.425 -19.479 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.589 -8.081 -21.443 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.939 -9.111 -21.876 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.519 -10.310 -23.149 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.780 -10.894 -21.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.142 -9.920 -23.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.256 -9.005 -21.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.972 -8.439 -23.151 1.00 0.00 H new ATOM 375 N ALA A 25 8.733 -7.193 -18.954 1.00 0.00 N ATOM 376 CA ALA A 25 9.459 -5.935 -19.072 1.00 0.00 C ATOM 377 C ALA A 25 10.777 -6.129 -19.814 1.00 0.00 C ATOM 378 O ALA A 25 11.142 -5.323 -20.670 1.00 0.00 O ATOM 379 CB ALA A 25 9.709 -5.339 -17.695 1.00 0.00 C ATOM 0 H ALA A 25 8.599 -7.514 -17.995 1.00 0.00 H new ATOM 0 HA ALA A 25 8.846 -5.243 -19.649 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.252 -4.400 -17.798 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.756 -5.154 -17.200 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.299 -6.035 -17.099 1.00 0.00 H new ATOM 385 N ARG A 26 11.486 -7.202 -19.480 1.00 0.00 N ATOM 386 CA ARG A 26 12.765 -7.500 -20.114 1.00 0.00 C ATOM 387 C ARG A 26 12.576 -7.824 -21.594 1.00 0.00 C ATOM 388 O ARG A 26 13.378 -7.422 -22.436 1.00 0.00 O ATOM 389 CB ARG A 26 13.447 -8.673 -19.408 1.00 0.00 C ATOM 390 CG ARG A 26 14.864 -8.935 -19.892 1.00 0.00 C ATOM 391 CD ARG A 26 15.756 -7.721 -19.687 1.00 0.00 C ATOM 392 NE ARG A 26 16.926 -8.033 -18.871 1.00 0.00 N ATOM 393 CZ ARG A 26 17.996 -7.249 -18.790 1.00 0.00 C ATOM 394 NH1 ARG A 26 18.043 -6.113 -19.472 1.00 0.00 N ATOM 395 NH2 ARG A 26 19.021 -7.602 -18.024 1.00 0.00 N ATOM 0 H ARG A 26 11.197 -7.879 -18.774 1.00 0.00 H new ATOM 0 HA ARG A 26 13.398 -6.616 -20.031 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.469 -8.478 -18.336 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.849 -9.572 -19.556 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.280 -9.788 -19.357 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.845 -9.200 -20.949 1.00 0.00 H new ATOM 0 HD2 ARG A 26 16.081 -7.342 -20.656 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.183 -6.926 -19.210 1.00 0.00 H new ATOM 0 HE ARG A 26 16.922 -8.900 -18.334 1.00 0.00 H new ATOM 0 HH11 ARG A 26 17.257 -5.839 -20.061 1.00 0.00 H new ATOM 0 HH12 ARG A 26 18.866 -5.513 -19.408 1.00 0.00 H new ATOM 0 HH21 ARG A 26 18.987 -8.475 -17.498 1.00 0.00 H new ATOM 0 HH22 ARG A 26 19.842 -7.000 -17.962 1.00 0.00 H new ATOM 409 N LYS A 27 11.509 -8.553 -21.903 1.00 0.00 N ATOM 410 CA LYS A 27 11.213 -8.931 -23.279 1.00 0.00 C ATOM 411 C LYS A 27 10.905 -7.701 -24.127 1.00 0.00 C ATOM 412 O LYS A 27 11.464 -7.526 -25.210 1.00 0.00 O ATOM 413 CB LYS A 27 10.029 -9.901 -23.320 1.00 0.00 C ATOM 414 CG LYS A 27 9.690 -10.388 -24.719 1.00 0.00 C ATOM 415 CD LYS A 27 8.206 -10.244 -25.014 1.00 0.00 C ATOM 416 CE LYS A 27 7.847 -8.813 -25.381 1.00 0.00 C ATOM 417 NZ LYS A 27 6.525 -8.730 -26.062 1.00 0.00 N ATOM 0 H LYS A 27 10.834 -8.894 -21.218 1.00 0.00 H new ATOM 0 HA LYS A 27 12.093 -9.424 -23.691 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.253 -10.761 -22.689 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.154 -9.411 -22.893 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.264 -9.821 -25.452 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.983 -11.433 -24.823 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.930 -10.910 -25.831 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.629 -10.553 -24.142 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.830 -8.200 -24.480 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.618 -8.401 -26.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.317 -7.738 -26.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.548 -9.294 -26.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.786 -9.100 -25.431 1.00 0.00 H new ATOM 431 N TYR A 28 10.014 -6.852 -23.627 1.00 0.00 N ATOM 432 CA TYR A 28 9.632 -5.638 -24.339 1.00 0.00 C ATOM 433 C TYR A 28 10.796 -4.654 -24.401 1.00 0.00 C ATOM 434 O TYR A 28 11.055 -4.047 -25.441 1.00 0.00 O ATOM 435 CB TYR A 28 8.429 -4.981 -23.660 1.00 0.00 C ATOM 436 CG TYR A 28 7.365 -4.517 -24.629 1.00 0.00 C ATOM 437 CD1 TYR A 28 7.706 -3.850 -25.799 1.00 0.00 C ATOM 438 CD2 TYR A 28 6.019 -4.748 -24.375 1.00 0.00 C ATOM 439 CE1 TYR A 28 6.737 -3.424 -26.687 1.00 0.00 C ATOM 440 CE2 TYR A 28 5.043 -4.327 -25.258 1.00 0.00 C ATOM 441 CZ TYR A 28 5.407 -3.665 -26.412 1.00 0.00 C ATOM 442 OH TYR A 28 4.439 -3.244 -27.295 1.00 0.00 O ATOM 0 H TYR A 28 9.543 -6.982 -22.732 1.00 0.00 H new ATOM 0 HA TYR A 28 9.359 -5.915 -25.357 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.986 -5.689 -22.959 1.00 0.00 H new ATOM 0 HB3 TYR A 28 8.773 -4.128 -23.076 1.00 0.00 H new ATOM 0 HD1 TYR A 28 8.747 -3.661 -26.018 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.730 -5.265 -23.472 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.019 -2.905 -27.591 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.001 -4.515 -25.046 1.00 0.00 H new ATOM 0 HH TYR A 28 3.555 -3.493 -26.954 1.00 0.00 H new ATOM 452 N ARG A 29 11.493 -4.501 -23.280 1.00 0.00 N ATOM 453 CA ARG A 29 12.629 -3.590 -23.206 1.00 0.00 C ATOM 454 C ARG A 29 13.750 -4.042 -24.137 1.00 0.00 C ATOM 455 O ARG A 29 14.293 -3.245 -24.902 1.00 0.00 O ATOM 456 CB ARG A 29 13.148 -3.505 -21.769 1.00 0.00 C ATOM 457 CG ARG A 29 12.283 -2.649 -20.859 1.00 0.00 C ATOM 458 CD ARG A 29 12.999 -1.371 -20.450 1.00 0.00 C ATOM 459 NE ARG A 29 13.430 -0.591 -21.606 1.00 0.00 N ATOM 460 CZ ARG A 29 13.729 0.703 -21.550 1.00 0.00 C ATOM 461 NH1 ARG A 29 13.643 1.357 -20.400 1.00 0.00 N ATOM 462 NH2 ARG A 29 14.114 1.344 -22.646 1.00 0.00 N ATOM 0 H ARG A 29 11.291 -4.996 -22.411 1.00 0.00 H new ATOM 0 HA ARG A 29 12.293 -2.603 -23.523 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.212 -4.511 -21.355 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.160 -3.100 -21.780 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.353 -2.399 -21.369 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.015 -3.218 -19.969 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.336 -0.766 -19.832 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.866 -1.621 -19.838 1.00 0.00 H new ATOM 0 HE ARG A 29 13.506 -1.065 -22.506 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.347 0.867 -19.556 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.873 2.350 -20.360 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.181 0.844 -23.532 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.343 2.337 -22.602 1.00 0.00 H new ATOM 476 N GLN A 30 14.091 -5.325 -24.066 1.00 0.00 N ATOM 477 CA GLN A 30 15.148 -5.881 -24.902 1.00 0.00 C ATOM 478 C GLN A 30 14.771 -5.807 -26.378 1.00 0.00 C ATOM 479 O GLN A 30 15.607 -5.496 -27.227 1.00 0.00 O ATOM 480 CB GLN A 30 15.428 -7.333 -24.508 1.00 0.00 C ATOM 481 CG GLN A 30 16.633 -7.933 -25.213 1.00 0.00 C ATOM 482 CD GLN A 30 17.178 -9.155 -24.500 1.00 0.00 C ATOM 483 OE1 GLN A 30 16.705 -9.522 -23.424 1.00 0.00 O ATOM 484 NE2 GLN A 30 18.179 -9.792 -25.097 1.00 0.00 N ATOM 0 H GLN A 30 13.651 -5.998 -23.439 1.00 0.00 H new ATOM 0 HA GLN A 30 16.049 -5.288 -24.746 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.585 -7.385 -23.431 1.00 0.00 H new ATOM 0 HB3 GLN A 30 14.549 -7.937 -24.731 1.00 0.00 H new ATOM 0 HG2 GLN A 30 16.355 -8.205 -26.231 1.00 0.00 H new ATOM 0 HG3 GLN A 30 17.418 -7.180 -25.287 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.540 -9.453 -25.989 1.00 0.00 H new ATOM 0 HE22 GLN A 30 18.587 -10.621 -24.664 1.00 0.00 H new ATOM 493 N ASP A 31 13.509 -6.094 -26.676 1.00 0.00 N ATOM 494 CA ASP A 31 13.021 -6.058 -28.050 1.00 0.00 C ATOM 495 C ASP A 31 12.987 -4.627 -28.578 1.00 0.00 C ATOM 496 O ASP A 31 13.195 -4.387 -29.767 1.00 0.00 O ATOM 497 CB ASP A 31 11.626 -6.680 -28.134 1.00 0.00 C ATOM 498 CG ASP A 31 11.094 -6.718 -29.554 1.00 0.00 C ATOM 499 OD1 ASP A 31 11.775 -7.297 -30.426 1.00 0.00 O ATOM 500 OD2 ASP A 31 9.998 -6.170 -29.792 1.00 0.00 O ATOM 0 H ASP A 31 12.805 -6.354 -25.985 1.00 0.00 H new ATOM 0 HA ASP A 31 13.707 -6.637 -28.669 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.658 -7.693 -27.734 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.939 -6.111 -27.507 1.00 0.00 H new ATOM 505 N LYS A 32 12.721 -3.679 -27.685 1.00 0.00 N ATOM 506 CA LYS A 32 12.659 -2.271 -28.059 1.00 0.00 C ATOM 507 C LYS A 32 14.049 -1.733 -28.386 1.00 0.00 C ATOM 508 O LYS A 32 14.249 -1.083 -29.413 1.00 0.00 O ATOM 509 CB LYS A 32 12.035 -1.449 -26.930 1.00 0.00 C ATOM 510 CG LYS A 32 11.514 -0.095 -27.379 1.00 0.00 C ATOM 511 CD LYS A 32 11.598 0.933 -26.263 1.00 0.00 C ATOM 512 CE LYS A 32 10.521 0.705 -25.213 1.00 0.00 C ATOM 513 NZ LYS A 32 9.364 1.623 -25.397 1.00 0.00 N ATOM 0 H LYS A 32 12.545 -3.861 -26.697 1.00 0.00 H new ATOM 0 HA LYS A 32 12.036 -2.185 -28.950 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.215 -2.016 -26.489 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.778 -1.301 -26.146 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.090 0.251 -28.238 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.479 -0.193 -27.708 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.581 0.883 -25.794 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.494 1.934 -26.681 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.177 -0.328 -25.264 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.946 0.850 -24.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.652 1.436 -24.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.688 2.609 -25.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.943 1.467 -26.335 1.00 0.00 H new ATOM 527 N LEU A 33 15.006 -2.009 -27.507 1.00 0.00 N ATOM 528 CA LEU A 33 16.378 -1.554 -27.703 1.00 0.00 C ATOM 529 C LEU A 33 17.041 -2.302 -28.855 1.00 0.00 C ATOM 530 O LEU A 33 17.884 -1.751 -29.564 1.00 0.00 O ATOM 531 CB LEU A 33 17.189 -1.750 -26.420 1.00 0.00 C ATOM 532 CG LEU A 33 17.202 -3.166 -25.844 1.00 0.00 C ATOM 533 CD1 LEU A 33 18.285 -4.003 -26.506 1.00 0.00 C ATOM 534 CD2 LEU A 33 17.403 -3.126 -24.336 1.00 0.00 C ATOM 0 H LEU A 33 14.857 -2.545 -26.652 1.00 0.00 H new ATOM 0 HA LEU A 33 16.351 -0.493 -27.951 1.00 0.00 H new ATOM 0 HB2 LEU A 33 18.218 -1.449 -26.615 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.798 -1.074 -25.660 1.00 0.00 H new ATOM 0 HG LEU A 33 16.237 -3.630 -26.050 1.00 0.00 H new ATOM 0 HD11 LEU A 33 18.278 -5.007 -26.083 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.097 -4.060 -27.578 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.258 -3.543 -26.333 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.410 -4.143 -23.943 1.00 0.00 H new ATOM 0 HD22 LEU A 33 18.353 -2.643 -24.108 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.590 -2.564 -23.875 1.00 0.00 H new ATOM 546 N LYS A 34 16.652 -3.559 -29.040 1.00 0.00 N ATOM 547 CA LYS A 34 17.204 -4.382 -30.109 1.00 0.00 C ATOM 548 C LYS A 34 16.708 -3.910 -31.472 1.00 0.00 C ATOM 549 O LYS A 34 17.499 -3.688 -32.387 1.00 0.00 O ATOM 550 CB LYS A 34 16.827 -5.850 -29.897 1.00 0.00 C ATOM 551 CG LYS A 34 17.200 -6.748 -31.063 1.00 0.00 C ATOM 552 CD LYS A 34 15.984 -7.118 -31.895 1.00 0.00 C ATOM 553 CE LYS A 34 16.340 -8.104 -32.997 1.00 0.00 C ATOM 554 NZ LYS A 34 16.258 -7.482 -34.347 1.00 0.00 N ATOM 0 H LYS A 34 15.956 -4.030 -28.463 1.00 0.00 H new ATOM 0 HA LYS A 34 18.289 -4.285 -30.084 1.00 0.00 H new ATOM 0 HB2 LYS A 34 17.319 -6.216 -28.996 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.753 -5.919 -29.725 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.932 -6.243 -31.693 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.674 -7.655 -30.688 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.220 -7.552 -31.250 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.556 -6.218 -32.336 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.349 -8.483 -32.833 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.666 -8.960 -32.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.621 -8.148 -35.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.267 -7.250 -34.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.829 -6.613 -34.364 1.00 0.00 H new ATOM 568 N GLN A 35 15.393 -3.757 -31.597 1.00 0.00 N ATOM 569 CA GLN A 35 14.793 -3.309 -32.848 1.00 0.00 C ATOM 570 C GLN A 35 15.203 -1.876 -33.167 1.00 0.00 C ATOM 571 O GLN A 35 15.503 -1.546 -34.315 1.00 0.00 O ATOM 572 CB GLN A 35 13.268 -3.411 -32.772 1.00 0.00 C ATOM 573 CG GLN A 35 12.605 -3.640 -34.120 1.00 0.00 C ATOM 574 CD GLN A 35 12.072 -5.050 -34.276 1.00 0.00 C ATOM 575 OE1 GLN A 35 10.871 -5.290 -34.146 1.00 0.00 O ATOM 576 NE2 GLN A 35 12.963 -5.993 -34.558 1.00 0.00 N ATOM 0 H GLN A 35 14.724 -3.936 -30.848 1.00 0.00 H new ATOM 0 HA GLN A 35 15.154 -3.957 -33.647 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.000 -4.227 -32.101 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.872 -2.495 -32.333 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.787 -2.931 -34.243 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.324 -3.438 -34.913 1.00 0.00 H new ATOM 0 HE21 GLN A 35 13.949 -5.750 -34.657 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.662 -6.960 -34.676 1.00 0.00 H new ATOM 585 N ALA A 36 15.214 -1.027 -32.145 1.00 0.00 N ATOM 586 CA ALA A 36 15.590 0.371 -32.316 1.00 0.00 C ATOM 587 C ALA A 36 17.066 0.503 -32.675 1.00 0.00 C ATOM 588 O ALA A 36 17.438 1.303 -33.534 1.00 0.00 O ATOM 589 CB ALA A 36 15.279 1.160 -31.052 1.00 0.00 C ATOM 0 H ALA A 36 14.967 -1.283 -31.189 1.00 0.00 H new ATOM 0 HA ALA A 36 15.005 0.780 -33.140 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.565 2.202 -31.194 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.211 1.102 -30.840 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.838 0.741 -30.215 1.00 0.00 H new ATOM 595 N LYS A 37 17.904 -0.286 -32.012 1.00 0.00 N ATOM 596 CA LYS A 37 19.341 -0.259 -32.261 1.00 0.00 C ATOM 597 C LYS A 37 19.638 -0.415 -33.748 1.00 0.00 C ATOM 598 O LYS A 37 20.426 0.341 -34.318 1.00 0.00 O ATOM 599 CB LYS A 37 20.037 -1.369 -31.471 1.00 0.00 C ATOM 600 CG LYS A 37 21.501 -1.549 -31.836 1.00 0.00 C ATOM 601 CD LYS A 37 21.693 -2.690 -32.822 1.00 0.00 C ATOM 602 CE LYS A 37 21.936 -4.010 -32.106 1.00 0.00 C ATOM 603 NZ LYS A 37 23.228 -4.630 -32.509 1.00 0.00 N ATOM 0 H LYS A 37 17.613 -0.953 -31.297 1.00 0.00 H new ATOM 0 HA LYS A 37 19.724 0.707 -31.932 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.961 -1.148 -30.406 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.511 -2.309 -31.640 1.00 0.00 H new ATOM 0 HG2 LYS A 37 21.886 -0.625 -32.268 1.00 0.00 H new ATOM 0 HG3 LYS A 37 22.081 -1.745 -30.934 1.00 0.00 H new ATOM 0 HD2 LYS A 37 20.811 -2.776 -33.457 1.00 0.00 H new ATOM 0 HD3 LYS A 37 22.536 -2.469 -33.476 1.00 0.00 H new ATOM 0 HE2 LYS A 37 21.933 -3.845 -31.029 1.00 0.00 H new ATOM 0 HE3 LYS A 37 21.119 -4.698 -32.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 23.356 -5.527 -31.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 23.222 -4.811 -33.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 24.010 -3.985 -32.277 1.00 0.00 H new ATOM 617 N THR A 38 19.002 -1.400 -34.374 1.00 0.00 N ATOM 618 CA THR A 38 19.198 -1.655 -35.796 1.00 0.00 C ATOM 619 C THR A 38 18.807 -0.442 -36.631 1.00 0.00 C ATOM 620 O THR A 38 19.521 -0.058 -37.558 1.00 0.00 O ATOM 621 CB THR A 38 18.380 -2.873 -36.266 1.00 0.00 C ATOM 622 OG1 THR A 38 18.720 -4.023 -35.484 1.00 0.00 O ATOM 623 CG2 THR A 38 18.635 -3.160 -37.738 1.00 0.00 C ATOM 0 H THR A 38 18.346 -2.035 -33.918 1.00 0.00 H new ATOM 0 HA THR A 38 20.259 -1.863 -35.937 1.00 0.00 H new ATOM 0 HB THR A 38 17.322 -2.645 -36.135 1.00 0.00 H new ATOM 0 HG1 THR A 38 18.348 -3.927 -34.582 1.00 0.00 H new ATOM 0 HG21 THR A 38 18.047 -4.024 -38.047 1.00 0.00 H new ATOM 0 HG22 THR A 38 18.347 -2.293 -38.333 1.00 0.00 H new ATOM 0 HG23 THR A 38 19.694 -3.369 -37.890 1.00 0.00 H new ATOM 631 N ASP A 39 17.671 0.159 -36.297 1.00 0.00 N ATOM 632 CA ASP A 39 17.186 1.332 -37.016 1.00 0.00 C ATOM 633 C ASP A 39 18.206 2.464 -36.959 1.00 0.00 C ATOM 634 O ASP A 39 18.485 3.114 -37.967 1.00 0.00 O ATOM 635 CB ASP A 39 15.853 1.800 -36.431 1.00 0.00 C ATOM 636 CG ASP A 39 14.963 2.455 -37.470 1.00 0.00 C ATOM 637 OD1 ASP A 39 15.325 3.545 -37.958 1.00 0.00 O ATOM 638 OD2 ASP A 39 13.904 1.877 -37.794 1.00 0.00 O ATOM 0 H ASP A 39 17.068 -0.146 -35.533 1.00 0.00 H new ATOM 0 HA ASP A 39 17.038 1.053 -38.059 1.00 0.00 H new ATOM 0 HB2 ASP A 39 15.331 0.948 -35.995 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.042 2.506 -35.622 1.00 0.00 H new ATOM 643 N ALA A 40 18.760 2.696 -35.774 1.00 0.00 N ATOM 644 CA ALA A 40 19.750 3.750 -35.585 1.00 0.00 C ATOM 645 C ALA A 40 21.008 3.472 -36.401 1.00 0.00 C ATOM 646 O ALA A 40 21.526 4.358 -37.081 1.00 0.00 O ATOM 647 CB ALA A 40 20.095 3.892 -34.111 1.00 0.00 C ATOM 0 H ALA A 40 18.540 2.168 -34.929 1.00 0.00 H new ATOM 0 HA ALA A 40 19.319 4.687 -35.937 1.00 0.00 H new ATOM 0 HB1 ALA A 40 20.835 4.682 -33.985 1.00 0.00 H new ATOM 0 HB2 ALA A 40 19.195 4.144 -33.549 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.502 2.951 -33.740 1.00 0.00 H new ATOM 653 N ALA A 41 21.495 2.238 -36.328 1.00 0.00 N ATOM 654 CA ALA A 41 22.692 1.844 -37.061 1.00 0.00 C ATOM 655 C ALA A 41 22.523 2.083 -38.557 1.00 0.00 C ATOM 656 O ALA A 41 23.409 2.631 -39.214 1.00 0.00 O ATOM 657 CB ALA A 41 23.019 0.383 -36.791 1.00 0.00 C ATOM 0 H ALA A 41 21.079 1.493 -35.769 1.00 0.00 H new ATOM 0 HA ALA A 41 23.521 2.460 -36.713 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.915 0.102 -37.345 1.00 0.00 H new ATOM 0 HB2 ALA A 41 23.192 0.240 -35.724 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.185 -0.242 -37.110 1.00 0.00 H new ATOM 663 N LYS A 42 21.379 1.669 -39.093 1.00 0.00 N ATOM 664 CA LYS A 42 21.093 1.838 -40.512 1.00 0.00 C ATOM 665 C LYS A 42 20.926 3.313 -40.862 1.00 0.00 C ATOM 666 O LYS A 42 21.318 3.752 -41.942 1.00 0.00 O ATOM 667 CB LYS A 42 19.827 1.066 -40.893 1.00 0.00 C ATOM 668 CG LYS A 42 19.573 1.016 -42.390 1.00 0.00 C ATOM 669 CD LYS A 42 18.286 0.277 -42.713 1.00 0.00 C ATOM 670 CE LYS A 42 17.073 0.993 -42.140 1.00 0.00 C ATOM 671 NZ LYS A 42 15.829 0.669 -42.892 1.00 0.00 N ATOM 0 H LYS A 42 20.635 1.214 -38.565 1.00 0.00 H new ATOM 0 HA LYS A 42 21.937 1.442 -41.077 1.00 0.00 H new ATOM 0 HB2 LYS A 42 19.904 0.048 -40.512 1.00 0.00 H new ATOM 0 HB3 LYS A 42 18.969 1.526 -40.402 1.00 0.00 H new ATOM 0 HG2 LYS A 42 19.520 2.031 -42.785 1.00 0.00 H new ATOM 0 HG3 LYS A 42 20.410 0.524 -42.886 1.00 0.00 H new ATOM 0 HD2 LYS A 42 18.179 0.186 -43.794 1.00 0.00 H new ATOM 0 HD3 LYS A 42 18.336 -0.735 -42.311 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.948 0.714 -41.094 1.00 0.00 H new ATOM 0 HE3 LYS A 42 17.242 2.070 -42.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.026 1.177 -42.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.938 0.958 -43.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.653 -0.355 -42.847 1.00 0.00 H new ATOM 685 N GLU A 43 20.344 4.073 -39.939 1.00 0.00 N ATOM 686 CA GLU A 43 20.127 5.499 -40.151 1.00 0.00 C ATOM 687 C GLU A 43 21.455 6.233 -40.313 1.00 0.00 C ATOM 688 O GLU A 43 21.617 7.052 -41.218 1.00 0.00 O ATOM 689 CB GLU A 43 19.340 6.097 -38.983 1.00 0.00 C ATOM 690 CG GLU A 43 18.506 7.308 -39.367 1.00 0.00 C ATOM 691 CD GLU A 43 17.016 7.049 -39.256 1.00 0.00 C ATOM 692 OE1 GLU A 43 16.464 7.235 -38.151 1.00 0.00 O ATOM 693 OE2 GLU A 43 16.403 6.661 -40.272 1.00 0.00 O ATOM 0 H GLU A 43 20.015 3.725 -39.038 1.00 0.00 H new ATOM 0 HA GLU A 43 19.550 5.620 -41.068 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.684 5.332 -38.568 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.037 6.381 -38.194 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.774 8.147 -38.725 1.00 0.00 H new ATOM 0 HG3 GLU A 43 18.745 7.600 -40.390 1.00 0.00 H new ATOM 700 N ILE A 44 22.401 5.934 -39.430 1.00 0.00 N ATOM 701 CA ILE A 44 23.715 6.564 -39.475 1.00 0.00 C ATOM 702 C ILE A 44 24.512 6.088 -40.685 1.00 0.00 C ATOM 703 O ILE A 44 25.129 6.887 -41.389 1.00 0.00 O ATOM 704 CB ILE A 44 24.522 6.275 -38.196 1.00 0.00 C ATOM 705 CG1 ILE A 44 23.765 6.776 -36.965 1.00 0.00 C ATOM 706 CG2 ILE A 44 25.896 6.922 -38.280 1.00 0.00 C ATOM 707 CD1 ILE A 44 23.407 8.244 -37.032 1.00 0.00 C ATOM 0 H ILE A 44 22.282 5.259 -38.674 1.00 0.00 H new ATOM 0 HA ILE A 44 23.547 7.638 -39.554 1.00 0.00 H new ATOM 0 HB ILE A 44 24.655 5.197 -38.103 1.00 0.00 H new ATOM 0 HG12 ILE A 44 22.852 6.193 -36.848 1.00 0.00 H new ATOM 0 HG13 ILE A 44 24.373 6.599 -36.078 1.00 0.00 H new ATOM 0 HG21 ILE A 44 26.455 6.709 -37.369 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.435 6.521 -39.138 1.00 0.00 H new ATOM 0 HG23 ILE A 44 25.784 8.000 -38.393 1.00 0.00 H new ATOM 0 HD11 ILE A 44 22.872 8.530 -36.126 1.00 0.00 H new ATOM 0 HD12 ILE A 44 24.318 8.837 -37.118 1.00 0.00 H new ATOM 0 HD13 ILE A 44 22.773 8.425 -37.900 1.00 0.00 H new ATOM 719 N ASP A 45 24.493 4.780 -40.921 1.00 0.00 N ATOM 720 CA ASP A 45 25.211 4.197 -42.048 1.00 0.00 C ATOM 721 C ASP A 45 24.673 4.731 -43.371 1.00 0.00 C ATOM 722 O ASP A 45 25.440 5.122 -44.252 1.00 0.00 O ATOM 723 CB ASP A 45 25.100 2.672 -42.017 1.00 0.00 C ATOM 724 CG ASP A 45 26.316 1.990 -42.613 1.00 0.00 C ATOM 725 OD1 ASP A 45 27.448 2.368 -42.246 1.00 0.00 O ATOM 726 OD2 ASP A 45 26.135 1.077 -43.446 1.00 0.00 O ATOM 0 H ASP A 45 23.988 4.104 -40.347 1.00 0.00 H new ATOM 0 HA ASP A 45 26.260 4.479 -41.963 1.00 0.00 H new ATOM 0 HB2 ASP A 45 24.970 2.341 -40.987 1.00 0.00 H new ATOM 0 HB3 ASP A 45 24.210 2.364 -42.565 1.00 0.00 H new ATOM 731 N SER A 46 23.351 4.745 -43.505 1.00 0.00 N ATOM 732 CA SER A 46 22.710 5.227 -44.723 1.00 0.00 C ATOM 733 C SER A 46 22.968 6.718 -44.918 1.00 0.00 C ATOM 734 O SER A 46 23.312 7.161 -46.014 1.00 0.00 O ATOM 735 CB SER A 46 21.204 4.960 -44.672 1.00 0.00 C ATOM 736 OG SER A 46 20.582 5.316 -45.894 1.00 0.00 O ATOM 0 H SER A 46 22.702 4.428 -42.785 1.00 0.00 H new ATOM 0 HA SER A 46 23.138 4.688 -45.568 1.00 0.00 H new ATOM 0 HB2 SER A 46 21.025 3.905 -44.463 1.00 0.00 H new ATOM 0 HB3 SER A 46 20.758 5.527 -43.855 1.00 0.00 H new ATOM 0 HG SER A 46 19.621 5.135 -45.837 1.00 0.00 H new ATOM 742 N TYR A 47 22.798 7.486 -43.848 1.00 0.00 N ATOM 743 CA TYR A 47 23.010 8.928 -43.902 1.00 0.00 C ATOM 744 C TYR A 47 24.468 9.254 -44.208 1.00 0.00 C ATOM 745 O TYR A 47 24.766 10.202 -44.935 1.00 0.00 O ATOM 746 CB TYR A 47 22.598 9.574 -42.577 1.00 0.00 C ATOM 747 CG TYR A 47 22.785 11.074 -42.552 1.00 0.00 C ATOM 748 CD1 TYR A 47 22.041 11.901 -43.385 1.00 0.00 C ATOM 749 CD2 TYR A 47 23.705 11.665 -41.694 1.00 0.00 C ATOM 750 CE1 TYR A 47 22.209 13.272 -43.365 1.00 0.00 C ATOM 751 CE2 TYR A 47 23.879 13.035 -41.667 1.00 0.00 C ATOM 752 CZ TYR A 47 23.129 13.834 -42.504 1.00 0.00 C ATOM 753 OH TYR A 47 23.298 15.200 -42.481 1.00 0.00 O ATOM 0 H TYR A 47 22.514 7.135 -42.933 1.00 0.00 H new ATOM 0 HA TYR A 47 22.391 9.331 -44.704 1.00 0.00 H new ATOM 0 HB2 TYR A 47 21.551 9.343 -42.380 1.00 0.00 H new ATOM 0 HB3 TYR A 47 23.180 9.130 -41.769 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.319 11.464 -44.059 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.294 11.042 -41.037 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.623 13.900 -44.020 1.00 0.00 H new ATOM 0 HE2 TYR A 47 24.598 13.478 -40.994 1.00 0.00 H new ATOM 0 HH TYR A 47 23.982 15.434 -41.819 1.00 0.00 H new ATOM 763 N LYS A 48 25.375 8.460 -43.648 1.00 0.00 N ATOM 764 CA LYS A 48 26.803 8.660 -43.861 1.00 0.00 C ATOM 765 C LYS A 48 27.185 8.365 -45.308 1.00 0.00 C ATOM 766 O LYS A 48 27.939 9.116 -45.927 1.00 0.00 O ATOM 767 CB LYS A 48 27.611 7.766 -42.917 1.00 0.00 C ATOM 768 CG LYS A 48 29.100 8.064 -42.923 1.00 0.00 C ATOM 769 CD LYS A 48 29.899 6.925 -42.313 1.00 0.00 C ATOM 770 CE LYS A 48 31.093 6.554 -43.180 1.00 0.00 C ATOM 771 NZ LYS A 48 32.038 5.653 -42.465 1.00 0.00 N ATOM 0 H LYS A 48 25.146 7.672 -43.043 1.00 0.00 H new ATOM 0 HA LYS A 48 27.033 9.704 -43.649 1.00 0.00 H new ATOM 0 HB2 LYS A 48 27.229 7.884 -41.903 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.456 6.724 -43.196 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.433 8.236 -43.946 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.291 8.982 -42.367 1.00 0.00 H new ATOM 0 HD2 LYS A 48 30.245 7.213 -41.320 1.00 0.00 H new ATOM 0 HD3 LYS A 48 29.255 6.054 -42.187 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.744 6.066 -44.090 1.00 0.00 H new ATOM 0 HE3 LYS A 48 31.616 7.460 -43.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 32.838 5.423 -43.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 32.391 6.128 -41.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 31.546 4.777 -42.196 1.00 0.00 H new ATOM 785 N ILE A 49 26.657 7.268 -45.842 1.00 0.00 N ATOM 786 CA ILE A 49 26.940 6.876 -47.217 1.00 0.00 C ATOM 787 C ILE A 49 26.273 7.824 -48.208 1.00 0.00 C ATOM 788 O ILE A 49 26.820 8.111 -49.272 1.00 0.00 O ATOM 789 CB ILE A 49 26.468 5.438 -47.501 1.00 0.00 C ATOM 790 CG1 ILE A 49 27.165 4.454 -46.560 1.00 0.00 C ATOM 791 CG2 ILE A 49 26.734 5.070 -48.953 1.00 0.00 C ATOM 792 CD1 ILE A 49 26.395 3.168 -46.353 1.00 0.00 C ATOM 0 H ILE A 49 26.031 6.636 -45.343 1.00 0.00 H new ATOM 0 HA ILE A 49 28.022 6.926 -47.343 1.00 0.00 H new ATOM 0 HB ILE A 49 25.394 5.382 -47.324 1.00 0.00 H new ATOM 0 HG12 ILE A 49 28.151 4.217 -46.960 1.00 0.00 H new ATOM 0 HG13 ILE A 49 27.320 4.935 -45.594 1.00 0.00 H new ATOM 0 HG21 ILE A 49 26.395 4.051 -49.138 1.00 0.00 H new ATOM 0 HG22 ILE A 49 26.195 5.756 -49.607 1.00 0.00 H new ATOM 0 HG23 ILE A 49 27.803 5.139 -49.156 1.00 0.00 H new ATOM 0 HD11 ILE A 49 26.948 2.518 -45.675 1.00 0.00 H new ATOM 0 HD12 ILE A 49 25.419 3.394 -45.924 1.00 0.00 H new ATOM 0 HD13 ILE A 49 26.263 2.665 -47.311 1.00 0.00 H new ATOM 804 N GLN A 50 25.088 8.308 -47.849 1.00 0.00 N ATOM 805 CA GLN A 50 24.347 9.225 -48.706 1.00 0.00 C ATOM 806 C GLN A 50 25.046 10.577 -48.791 1.00 0.00 C ATOM 807 O GLN A 50 25.189 11.148 -49.872 1.00 0.00 O ATOM 808 CB GLN A 50 22.921 9.407 -48.181 1.00 0.00 C ATOM 809 CG GLN A 50 22.008 10.147 -49.145 1.00 0.00 C ATOM 810 CD GLN A 50 20.539 9.940 -48.833 1.00 0.00 C ATOM 811 OE1 GLN A 50 20.175 9.580 -47.713 1.00 0.00 O ATOM 812 NE2 GLN A 50 19.685 10.167 -49.824 1.00 0.00 N ATOM 0 H GLN A 50 24.621 8.080 -46.971 1.00 0.00 H new ATOM 0 HA GLN A 50 24.307 8.794 -49.707 1.00 0.00 H new ATOM 0 HB2 GLN A 50 22.493 8.427 -47.968 1.00 0.00 H new ATOM 0 HB3 GLN A 50 22.957 9.951 -47.237 1.00 0.00 H new ATOM 0 HG2 GLN A 50 22.236 11.212 -49.110 1.00 0.00 H new ATOM 0 HG3 GLN A 50 22.210 9.811 -50.162 1.00 0.00 H new ATOM 0 HE21 GLN A 50 20.030 10.464 -50.737 1.00 0.00 H new ATOM 0 HE22 GLN A 50 18.684 10.044 -49.673 1.00 0.00 H new ATOM 821 N LYS A 51 25.481 11.086 -47.643 1.00 0.00 N ATOM 822 CA LYS A 51 26.167 12.371 -47.586 1.00 0.00 C ATOM 823 C LYS A 51 27.546 12.281 -48.233 1.00 0.00 C ATOM 824 O LYS A 51 27.948 13.170 -48.984 1.00 0.00 O ATOM 825 CB LYS A 51 26.303 12.836 -46.134 1.00 0.00 C ATOM 826 CG LYS A 51 25.963 14.303 -45.931 1.00 0.00 C ATOM 827 CD LYS A 51 24.474 14.558 -46.100 1.00 0.00 C ATOM 828 CE LYS A 51 24.199 15.506 -47.257 1.00 0.00 C ATOM 829 NZ LYS A 51 22.793 15.997 -47.249 1.00 0.00 N ATOM 0 H LYS A 51 25.370 10.627 -46.739 1.00 0.00 H new ATOM 0 HA LYS A 51 25.572 13.097 -48.140 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.651 12.230 -45.505 1.00 0.00 H new ATOM 0 HB3 LYS A 51 27.325 12.659 -45.799 1.00 0.00 H new ATOM 0 HG2 LYS A 51 26.276 14.616 -44.935 1.00 0.00 H new ATOM 0 HG3 LYS A 51 26.520 14.909 -46.645 1.00 0.00 H new ATOM 0 HD2 LYS A 51 23.959 13.613 -46.272 1.00 0.00 H new ATOM 0 HD3 LYS A 51 24.069 14.978 -45.180 1.00 0.00 H new ATOM 0 HE2 LYS A 51 24.881 16.355 -47.201 1.00 0.00 H new ATOM 0 HE3 LYS A 51 24.401 14.997 -48.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 22.645 16.640 -48.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 22.143 15.189 -47.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 22.608 16.505 -46.361 1.00 0.00 H new ATOM 843 N ASP A 52 28.263 11.203 -47.938 1.00 0.00 N ATOM 844 CA ASP A 52 29.596 10.996 -48.493 1.00 0.00 C ATOM 845 C ASP A 52 29.535 10.843 -50.010 1.00 0.00 C ATOM 846 O ASP A 52 30.358 11.402 -50.735 1.00 0.00 O ATOM 847 CB ASP A 52 30.245 9.760 -47.869 1.00 0.00 C ATOM 848 CG ASP A 52 30.930 10.068 -46.552 1.00 0.00 C ATOM 849 OD1 ASP A 52 30.243 10.543 -45.623 1.00 0.00 O ATOM 850 OD2 ASP A 52 32.152 9.833 -46.450 1.00 0.00 O ATOM 0 H ASP A 52 27.944 10.459 -47.318 1.00 0.00 H new ATOM 0 HA ASP A 52 30.201 11.872 -48.258 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.485 8.995 -47.710 1.00 0.00 H new ATOM 0 HB3 ASP A 52 30.973 9.345 -48.566 1.00 0.00 H new ATOM 855 N LYS A 53 28.554 10.082 -50.483 1.00 0.00 N ATOM 856 CA LYS A 53 28.384 9.855 -51.914 1.00 0.00 C ATOM 857 C LYS A 53 27.947 11.134 -52.620 1.00 0.00 C ATOM 858 O LYS A 53 28.428 11.448 -53.708 1.00 0.00 O ATOM 859 CB LYS A 53 27.355 8.749 -52.156 1.00 0.00 C ATOM 860 CG LYS A 53 27.402 8.171 -53.561 1.00 0.00 C ATOM 861 CD LYS A 53 28.667 7.360 -53.788 1.00 0.00 C ATOM 862 CE LYS A 53 28.421 6.201 -54.742 1.00 0.00 C ATOM 863 NZ LYS A 53 27.979 4.974 -54.023 1.00 0.00 N ATOM 0 H LYS A 53 27.864 9.612 -49.897 1.00 0.00 H new ATOM 0 HA LYS A 53 29.345 9.545 -52.324 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.520 7.947 -51.437 1.00 0.00 H new ATOM 0 HB3 LYS A 53 26.357 9.145 -51.968 1.00 0.00 H new ATOM 0 HG2 LYS A 53 26.529 7.539 -53.725 1.00 0.00 H new ATOM 0 HG3 LYS A 53 27.351 8.980 -54.290 1.00 0.00 H new ATOM 0 HD2 LYS A 53 29.447 8.006 -54.191 1.00 0.00 H new ATOM 0 HD3 LYS A 53 29.031 6.977 -52.835 1.00 0.00 H new ATOM 0 HE2 LYS A 53 27.664 6.486 -55.472 1.00 0.00 H new ATOM 0 HE3 LYS A 53 29.335 5.987 -55.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 27.822 4.208 -54.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 28.712 4.686 -53.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 27.093 5.170 -53.514 1.00 0.00 H new ATOM 877 N GLU A 54 27.033 11.869 -51.992 1.00 0.00 N ATOM 878 CA GLU A 54 26.533 13.114 -52.561 1.00 0.00 C ATOM 879 C GLU A 54 27.637 14.166 -52.625 1.00 0.00 C ATOM 880 O GLU A 54 27.778 14.874 -53.623 1.00 0.00 O ATOM 881 CB GLU A 54 25.358 13.643 -51.736 1.00 0.00 C ATOM 882 CG GLU A 54 24.918 15.042 -52.130 1.00 0.00 C ATOM 883 CD GLU A 54 23.516 15.369 -51.652 1.00 0.00 C ATOM 884 OE1 GLU A 54 22.867 14.477 -51.067 1.00 0.00 O ATOM 885 OE2 GLU A 54 23.069 16.516 -51.862 1.00 0.00 O ATOM 0 H GLU A 54 26.625 11.623 -51.090 1.00 0.00 H new ATOM 0 HA GLU A 54 26.192 12.908 -53.575 1.00 0.00 H new ATOM 0 HB2 GLU A 54 24.514 12.962 -51.844 1.00 0.00 H new ATOM 0 HB3 GLU A 54 25.636 13.642 -50.682 1.00 0.00 H new ATOM 0 HG2 GLU A 54 25.617 15.769 -51.717 1.00 0.00 H new ATOM 0 HG3 GLU A 54 24.960 15.140 -53.215 1.00 0.00 H new ATOM 892 N LEU A 55 28.417 14.261 -51.554 1.00 0.00 N ATOM 893 CA LEU A 55 29.510 15.226 -51.487 1.00 0.00 C ATOM 894 C LEU A 55 30.663 14.806 -52.393 1.00 0.00 C ATOM 895 O LEU A 55 31.259 15.634 -53.082 1.00 0.00 O ATOM 896 CB LEU A 55 30.003 15.368 -50.046 1.00 0.00 C ATOM 897 CG LEU A 55 29.391 16.513 -49.238 1.00 0.00 C ATOM 898 CD1 LEU A 55 29.892 17.855 -49.749 1.00 0.00 C ATOM 899 CD2 LEU A 55 27.872 16.453 -49.293 1.00 0.00 C ATOM 0 H LEU A 55 28.314 13.682 -50.720 1.00 0.00 H new ATOM 0 HA LEU A 55 29.134 16.189 -51.832 1.00 0.00 H new ATOM 0 HB2 LEU A 55 29.805 14.433 -49.521 1.00 0.00 H new ATOM 0 HB3 LEU A 55 31.085 15.500 -50.064 1.00 0.00 H new ATOM 0 HG LEU A 55 29.701 16.404 -48.199 1.00 0.00 H new ATOM 0 HD11 LEU A 55 29.446 18.658 -49.162 1.00 0.00 H new ATOM 0 HD12 LEU A 55 30.977 17.898 -49.656 1.00 0.00 H new ATOM 0 HD13 LEU A 55 29.613 17.973 -50.796 1.00 0.00 H new ATOM 0 HD21 LEU A 55 27.454 17.275 -48.712 1.00 0.00 H new ATOM 0 HD22 LEU A 55 27.542 16.535 -50.329 1.00 0.00 H new ATOM 0 HD23 LEU A 55 27.530 15.505 -48.877 1.00 0.00 H new ATOM 911 N LYS A 56 30.973 13.514 -52.387 1.00 0.00 N ATOM 912 CA LYS A 56 32.053 12.982 -53.210 1.00 0.00 C ATOM 913 C LYS A 56 31.845 13.340 -54.678 1.00 0.00 C ATOM 914 O LYS A 56 32.806 13.578 -55.409 1.00 0.00 O ATOM 915 CB LYS A 56 32.141 11.462 -53.052 1.00 0.00 C ATOM 916 CG LYS A 56 33.214 10.822 -53.915 1.00 0.00 C ATOM 917 CD LYS A 56 34.161 9.969 -53.086 1.00 0.00 C ATOM 918 CE LYS A 56 33.749 8.505 -53.101 1.00 0.00 C ATOM 919 NZ LYS A 56 32.838 8.174 -51.970 1.00 0.00 N ATOM 0 H LYS A 56 30.491 12.815 -51.821 1.00 0.00 H new ATOM 0 HA LYS A 56 32.988 13.431 -52.874 1.00 0.00 H new ATOM 0 HB2 LYS A 56 32.338 11.225 -52.007 1.00 0.00 H new ATOM 0 HB3 LYS A 56 31.175 11.023 -53.302 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.745 10.206 -54.683 1.00 0.00 H new ATOM 0 HG3 LYS A 56 33.779 11.599 -54.430 1.00 0.00 H new ATOM 0 HD2 LYS A 56 35.175 10.067 -53.474 1.00 0.00 H new ATOM 0 HD3 LYS A 56 34.176 10.333 -52.059 1.00 0.00 H new ATOM 0 HE2 LYS A 56 33.254 8.277 -54.045 1.00 0.00 H new ATOM 0 HE3 LYS A 56 34.638 7.877 -53.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 32.580 7.168 -52.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 33.319 8.368 -51.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 31.978 8.755 -52.035 1.00 0.00 H new ATOM 933 N GLU A 57 30.586 13.376 -55.101 1.00 0.00 N ATOM 934 CA GLU A 57 30.254 13.706 -56.482 1.00 0.00 C ATOM 935 C GLU A 57 30.897 12.715 -57.448 1.00 0.00 C ATOM 936 O GLU A 57 31.541 11.752 -57.030 1.00 0.00 O ATOM 937 CB GLU A 57 30.710 15.128 -56.814 1.00 0.00 C ATOM 938 CG GLU A 57 29.563 16.098 -57.041 1.00 0.00 C ATOM 939 CD GLU A 57 28.633 15.653 -58.152 1.00 0.00 C ATOM 940 OE1 GLU A 57 29.120 15.426 -59.279 1.00 0.00 O ATOM 941 OE2 GLU A 57 27.417 15.530 -57.894 1.00 0.00 O ATOM 0 H GLU A 57 29.779 13.181 -54.508 1.00 0.00 H new ATOM 0 HA GLU A 57 29.171 13.644 -56.593 1.00 0.00 H new ATOM 0 HB2 GLU A 57 31.333 15.500 -56.001 1.00 0.00 H new ATOM 0 HB3 GLU A 57 31.334 15.101 -57.707 1.00 0.00 H new ATOM 0 HG2 GLU A 57 28.994 16.205 -56.117 1.00 0.00 H new ATOM 0 HG3 GLU A 57 29.966 17.081 -57.282 1.00 0.00 H new ATOM 948 N PHE A 58 30.719 12.958 -58.742 1.00 0.00 N ATOM 949 CA PHE A 58 31.280 12.088 -59.768 1.00 0.00 C ATOM 950 C PHE A 58 32.209 12.867 -60.694 1.00 0.00 C ATOM 951 O PHE A 58 32.325 12.555 -61.879 1.00 0.00 O ATOM 952 CB PHE A 58 30.161 11.435 -60.582 1.00 0.00 C ATOM 953 CG PHE A 58 30.411 9.987 -60.892 1.00 0.00 C ATOM 954 CD1 PHE A 58 30.354 9.030 -59.891 1.00 0.00 C ATOM 955 CD2 PHE A 58 30.705 9.582 -62.184 1.00 0.00 C ATOM 956 CE1 PHE A 58 30.584 7.697 -60.173 1.00 0.00 C ATOM 957 CE2 PHE A 58 30.935 8.250 -62.472 1.00 0.00 C ATOM 958 CZ PHE A 58 30.876 7.306 -61.465 1.00 0.00 C ATOM 0 H PHE A 58 30.190 13.751 -59.105 1.00 0.00 H new ATOM 0 HA PHE A 58 31.860 11.310 -59.271 1.00 0.00 H new ATOM 0 HB2 PHE A 58 29.224 11.524 -60.033 1.00 0.00 H new ATOM 0 HB3 PHE A 58 30.036 11.982 -61.517 1.00 0.00 H new ATOM 0 HD1 PHE A 58 30.127 9.330 -58.879 1.00 0.00 H new ATOM 0 HD2 PHE A 58 30.755 10.316 -62.975 1.00 0.00 H new ATOM 0 HE1 PHE A 58 30.535 6.961 -59.384 1.00 0.00 H new ATOM 0 HE2 PHE A 58 31.161 7.947 -63.484 1.00 0.00 H new ATOM 0 HZ PHE A 58 31.058 6.265 -61.688 1.00 0.00 H new ATOM 968 N GLU A 59 32.867 13.883 -60.145 1.00 0.00 N ATOM 969 CA GLU A 59 33.785 14.708 -60.922 1.00 0.00 C ATOM 970 C GLU A 59 34.418 15.787 -60.049 1.00 0.00 C ATOM 971 O GLU A 59 35.594 16.117 -60.207 1.00 0.00 O ATOM 972 CB GLU A 59 33.052 15.354 -62.099 1.00 0.00 C ATOM 973 CG GLU A 59 33.753 15.160 -63.433 1.00 0.00 C ATOM 974 CD GLU A 59 33.056 15.884 -64.569 1.00 0.00 C ATOM 975 OE1 GLU A 59 31.972 16.456 -64.333 1.00 0.00 O ATOM 976 OE2 GLU A 59 33.597 15.878 -65.695 1.00 0.00 O ATOM 0 H GLU A 59 32.782 14.155 -59.166 1.00 0.00 H new ATOM 0 HA GLU A 59 34.577 14.064 -61.305 1.00 0.00 H new ATOM 0 HB2 GLU A 59 32.047 14.938 -62.163 1.00 0.00 H new ATOM 0 HB3 GLU A 59 32.944 16.421 -61.907 1.00 0.00 H new ATOM 0 HG2 GLU A 59 34.780 15.517 -63.355 1.00 0.00 H new ATOM 0 HG3 GLU A 59 33.803 14.095 -63.662 1.00 0.00 H new ATOM 983 N CYS A 60 33.631 16.334 -59.129 1.00 0.00 N ATOM 984 CA CYS A 60 34.113 17.377 -58.231 1.00 0.00 C ATOM 985 C CYS A 60 34.658 18.564 -59.020 1.00 0.00 C ATOM 986 O CYS A 60 33.957 19.146 -59.847 1.00 0.00 O ATOM 987 CB CYS A 60 35.198 16.822 -57.307 1.00 0.00 C ATOM 988 SG CYS A 60 35.159 17.501 -55.632 1.00 0.00 S ATOM 0 H CYS A 60 32.656 16.072 -58.985 1.00 0.00 H new ATOM 0 HA CYS A 60 33.273 17.720 -57.627 1.00 0.00 H new ATOM 0 HB2 CYS A 60 35.093 15.739 -57.251 1.00 0.00 H new ATOM 0 HB3 CYS A 60 36.174 17.025 -57.747 1.00 0.00 H new ATOM 0 HG CYS A 60 36.112 16.969 -54.926 1.00 0.00 H new TER 994 CYS A 60