USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 703 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 51 TYR OH : rot 180:sc= 0.408 USER MOD Set 1.2: A 71 ASN : amide:sc= 0.437 K(o=0.85,f=-0.08) USER MOD Set 2.1: A 57 ASN : amide:sc= 0.946 K(o=1.8,f=1.2) USER MOD Set 2.2: A 60 THR OG1 : rot 172:sc= 0.817 USER MOD Set 3.1: A 9 LYS NZ :NH3+ 180:sc= 0.664 (180deg=-0.0688) USER MOD Set 3.2: A 15 THR OG1 : rot 130:sc= 0.635 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0632 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.0338 X(o=-0.034,f=-0.034) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.339 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.246 K(o=-0.25,f=-3.1!) USER MOD Single : A 13 GLN : amide:sc= 0.786 K(o=0.79,f=0) USER MOD Single : A 14 GLN : amide:sc= 0.418 X(o=0.42,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= 0.592 (180deg=0.587) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.21) USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 1.09 (180deg=0.982) USER MOD Single : A 32 LYS NZ :NH3+ 139:sc= 1.21 (180deg=0.312) USER MOD Single : A 35 SER OG : rot -58:sc= 0.289 USER MOD Single : A 37 LYS NZ :NH3+ -177:sc= 2.49 (180deg=2.46) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0.0149 X(o=0.015,f=-0.32) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= 0.798 (180deg=0.153!) USER MOD Single : A 65 TYR OH : rot 130:sc= 0.0412 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 137:sc= 0.913 (180deg=-0.61!) USER MOD Single : A 76 MET CE :methyl -171:sc=-0.00804 (180deg=-0.157) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0125) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.723 -12.977 -0.826 1.00 10.00 N ATOM 2 CA GLY A 1 -12.983 -14.214 -1.161 1.00 10.00 C ATOM 3 C GLY A 1 -11.550 -14.178 -0.647 1.00 10.00 C ATOM 4 O GLY A 1 -11.196 -13.338 0.183 1.00 10.00 O ATOM 0 H1 GLY A 1 -14.602 -13.223 -0.327 1.00 10.00 H new ATOM 0 H2 GLY A 1 -13.135 -12.375 -0.215 1.00 10.00 H new ATOM 0 H3 GLY A 1 -13.954 -12.463 -1.700 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -13.500 -15.073 -0.733 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -12.977 -14.351 -2.242 1.00 10.00 H new ATOM 10 N SER A 2 -10.705 -15.091 -1.138 1.00 10.00 N ATOM 11 CA SER A 2 -9.307 -15.282 -0.694 1.00 10.00 C ATOM 12 C SER A 2 -8.352 -14.115 -1.004 1.00 10.00 C ATOM 13 O SER A 2 -7.258 -14.056 -0.441 1.00 10.00 O ATOM 14 CB SER A 2 -8.727 -16.556 -1.322 1.00 10.00 C ATOM 15 OG SER A 2 -9.572 -17.673 -1.068 1.00 10.00 O ATOM 0 H SER A 2 -10.976 -15.740 -1.877 1.00 10.00 H new ATOM 0 HA SER A 2 -9.371 -15.350 0.392 1.00 10.00 H new ATOM 0 HB2 SER A 2 -8.613 -16.418 -2.397 1.00 10.00 H new ATOM 0 HB3 SER A 2 -7.733 -16.747 -0.918 1.00 10.00 H new ATOM 0 HG SER A 2 -9.186 -18.475 -1.478 1.00 10.00 H new ATOM 21 N HIS A 3 -8.744 -13.184 -1.881 1.00 10.00 N ATOM 22 CA HIS A 3 -7.933 -12.042 -2.322 1.00 10.00 C ATOM 23 C HIS A 3 -8.762 -10.748 -2.422 1.00 10.00 C ATOM 24 O HIS A 3 -9.992 -10.775 -2.525 1.00 10.00 O ATOM 25 CB HIS A 3 -7.273 -12.370 -3.674 1.00 10.00 C ATOM 26 CG HIS A 3 -6.403 -13.604 -3.657 1.00 10.00 C ATOM 27 ND1 HIS A 3 -6.658 -14.791 -4.311 1.00 10.00 N ATOM 28 CD2 HIS A 3 -5.220 -13.760 -2.988 1.00 10.00 C ATOM 29 CE1 HIS A 3 -5.652 -15.641 -4.045 1.00 10.00 C ATOM 30 NE2 HIS A 3 -4.745 -15.057 -3.239 1.00 10.00 N ATOM 0 H HIS A 3 -9.665 -13.205 -2.318 1.00 10.00 H new ATOM 0 HA HIS A 3 -7.161 -11.867 -1.573 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -8.053 -12.500 -4.424 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -6.669 -11.518 -3.987 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -4.736 -13.015 -2.374 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -5.581 -16.650 -4.424 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -3.885 -15.474 -2.882 1.00 10.00 H new ATOM 38 N MET A 4 -8.064 -9.612 -2.415 1.00 10.00 N ATOM 39 CA MET A 4 -8.595 -8.249 -2.498 1.00 10.00 C ATOM 40 C MET A 4 -7.681 -7.408 -3.394 1.00 10.00 C ATOM 41 O MET A 4 -6.456 -7.525 -3.309 1.00 10.00 O ATOM 42 CB MET A 4 -8.652 -7.667 -1.072 1.00 10.00 C ATOM 43 CG MET A 4 -9.052 -6.185 -1.013 1.00 10.00 C ATOM 44 SD MET A 4 -9.077 -5.460 0.652 1.00 10.00 S ATOM 45 CE MET A 4 -10.611 -6.173 1.307 1.00 10.00 C ATOM 0 H MET A 4 -7.046 -9.619 -2.347 1.00 10.00 H new ATOM 0 HA MET A 4 -9.596 -8.245 -2.929 1.00 10.00 H new ATOM 0 HB2 MET A 4 -9.362 -8.247 -0.483 1.00 10.00 H new ATOM 0 HB3 MET A 4 -7.675 -7.787 -0.603 1.00 10.00 H new ATOM 0 HG2 MET A 4 -8.360 -5.613 -1.631 1.00 10.00 H new ATOM 0 HG3 MET A 4 -10.042 -6.074 -1.456 1.00 10.00 H new ATOM 0 HE1 MET A 4 -10.769 -5.822 2.327 1.00 10.00 H new ATOM 0 HE2 MET A 4 -11.450 -5.865 0.683 1.00 10.00 H new ATOM 0 HE3 MET A 4 -10.537 -7.260 1.305 1.00 10.00 H new ATOM 55 N GLN A 5 -8.263 -6.532 -4.216 1.00 10.00 N ATOM 56 CA GLN A 5 -7.517 -5.552 -5.010 1.00 10.00 C ATOM 57 C GLN A 5 -7.545 -4.167 -4.341 1.00 10.00 C ATOM 58 O GLN A 5 -8.532 -3.800 -3.699 1.00 10.00 O ATOM 59 CB GLN A 5 -8.057 -5.463 -6.448 1.00 10.00 C ATOM 60 CG GLN A 5 -8.319 -6.819 -7.123 1.00 10.00 C ATOM 61 CD GLN A 5 -8.693 -6.650 -8.593 1.00 10.00 C ATOM 62 OE1 GLN A 5 -7.858 -6.696 -9.489 1.00 10.00 O ATOM 63 NE2 GLN A 5 -9.954 -6.440 -8.903 1.00 10.00 N ATOM 0 H GLN A 5 -9.273 -6.482 -4.351 1.00 10.00 H new ATOM 0 HA GLN A 5 -6.483 -5.893 -5.060 1.00 10.00 H new ATOM 0 HB2 GLN A 5 -8.986 -4.893 -6.438 1.00 10.00 H new ATOM 0 HB3 GLN A 5 -7.345 -4.903 -7.054 1.00 10.00 H new ATOM 0 HG2 GLN A 5 -7.430 -7.444 -7.042 1.00 10.00 H new ATOM 0 HG3 GLN A 5 -9.122 -7.338 -6.600 1.00 10.00 H new ATOM 0 HE21 GLN A 5 -10.660 -6.399 -8.168 1.00 10.00 H new ATOM 0 HE22 GLN A 5 -10.226 -6.318 -9.878 1.00 10.00 H new ATOM 72 N VAL A 6 -6.471 -3.389 -4.499 1.00 10.00 N ATOM 73 CA VAL A 6 -6.279 -2.065 -3.882 1.00 10.00 C ATOM 74 C VAL A 6 -5.620 -1.113 -4.885 1.00 10.00 C ATOM 75 O VAL A 6 -4.721 -1.510 -5.627 1.00 10.00 O ATOM 76 CB VAL A 6 -5.424 -2.176 -2.597 1.00 10.00 C ATOM 77 CG1 VAL A 6 -5.378 -0.832 -1.861 1.00 10.00 C ATOM 78 CG2 VAL A 6 -5.964 -3.220 -1.605 1.00 10.00 C ATOM 0 H VAL A 6 -5.681 -3.670 -5.080 1.00 10.00 H new ATOM 0 HA VAL A 6 -7.254 -1.666 -3.604 1.00 10.00 H new ATOM 0 HB VAL A 6 -4.433 -2.482 -2.931 1.00 10.00 H new ATOM 0 HG11 VAL A 6 -4.772 -0.931 -0.960 1.00 10.00 H new ATOM 0 HG12 VAL A 6 -4.940 -0.076 -2.512 1.00 10.00 H new ATOM 0 HG13 VAL A 6 -6.390 -0.533 -1.587 1.00 10.00 H new ATOM 0 HG21 VAL A 6 -5.322 -3.251 -0.725 1.00 10.00 H new ATOM 0 HG22 VAL A 6 -6.977 -2.949 -1.306 1.00 10.00 H new ATOM 0 HG23 VAL A 6 -5.976 -4.201 -2.080 1.00 10.00 H new ATOM 88 N THR A 7 -6.048 0.151 -4.895 1.00 10.00 N ATOM 89 CA THR A 7 -5.575 1.206 -5.810 1.00 10.00 C ATOM 90 C THR A 7 -4.592 2.123 -5.085 1.00 10.00 C ATOM 91 O THR A 7 -4.922 2.641 -4.021 1.00 10.00 O ATOM 92 CB THR A 7 -6.771 2.033 -6.311 1.00 10.00 C ATOM 93 OG1 THR A 7 -7.730 1.199 -6.920 1.00 10.00 O ATOM 94 CG2 THR A 7 -6.385 3.093 -7.340 1.00 10.00 C ATOM 0 H THR A 7 -6.759 0.486 -4.245 1.00 10.00 H new ATOM 0 HA THR A 7 -5.074 0.740 -6.658 1.00 10.00 H new ATOM 0 HB THR A 7 -7.169 2.527 -5.425 1.00 10.00 H new ATOM 0 HG1 THR A 7 -8.485 1.741 -7.231 1.00 10.00 H new ATOM 0 HG21 THR A 7 -7.275 3.639 -7.651 1.00 10.00 H new ATOM 0 HG22 THR A 7 -5.670 3.786 -6.897 1.00 10.00 H new ATOM 0 HG23 THR A 7 -5.934 2.611 -8.207 1.00 10.00 H new ATOM 102 N LEU A 8 -3.392 2.325 -5.632 1.00 10.00 N ATOM 103 CA LEU A 8 -2.256 2.970 -4.952 1.00 10.00 C ATOM 104 C LEU A 8 -1.780 4.229 -5.688 1.00 10.00 C ATOM 105 O LEU A 8 -1.373 4.144 -6.849 1.00 10.00 O ATOM 106 CB LEU A 8 -1.059 2.000 -4.827 1.00 10.00 C ATOM 107 CG LEU A 8 -1.342 0.579 -4.314 1.00 10.00 C ATOM 108 CD1 LEU A 8 -0.025 -0.110 -3.983 1.00 10.00 C ATOM 109 CD2 LEU A 8 -2.152 0.555 -3.022 1.00 10.00 C ATOM 0 H LEU A 8 -3.173 2.038 -6.586 1.00 10.00 H new ATOM 0 HA LEU A 8 -2.616 3.251 -3.962 1.00 10.00 H new ATOM 0 HB2 LEU A 8 -0.592 1.916 -5.808 1.00 10.00 H new ATOM 0 HB3 LEU A 8 -0.325 2.457 -4.163 1.00 10.00 H new ATOM 0 HG LEU A 8 -1.904 0.084 -5.106 1.00 10.00 H new ATOM 0 HD11 LEU A 8 -0.223 -1.118 -3.619 1.00 10.00 H new ATOM 0 HD12 LEU A 8 0.593 -0.163 -4.879 1.00 10.00 H new ATOM 0 HD13 LEU A 8 0.499 0.457 -3.214 1.00 10.00 H new ATOM 0 HD21 LEU A 8 -2.317 -0.478 -2.715 1.00 10.00 H new ATOM 0 HD22 LEU A 8 -1.606 1.083 -2.240 1.00 10.00 H new ATOM 0 HD23 LEU A 8 -3.113 1.042 -3.186 1.00 10.00 H new ATOM 121 N LYS A 9 -1.781 5.376 -5.001 1.00 10.00 N ATOM 122 CA LYS A 9 -1.239 6.670 -5.457 1.00 10.00 C ATOM 123 C LYS A 9 0.151 6.940 -4.872 1.00 10.00 C ATOM 124 O LYS A 9 0.519 6.372 -3.840 1.00 10.00 O ATOM 125 CB LYS A 9 -2.186 7.810 -5.036 1.00 10.00 C ATOM 126 CG LYS A 9 -3.499 7.771 -5.818 1.00 10.00 C ATOM 127 CD LYS A 9 -4.336 9.039 -5.615 1.00 10.00 C ATOM 128 CE LYS A 9 -5.602 9.004 -6.484 1.00 10.00 C ATOM 129 NZ LYS A 9 -5.299 9.143 -7.934 1.00 10.00 N ATOM 0 H LYS A 9 -2.179 5.435 -4.064 1.00 10.00 H new ATOM 0 HA LYS A 9 -1.155 6.626 -6.543 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -2.395 7.734 -3.969 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -1.695 8.770 -5.197 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -3.283 7.647 -6.879 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -4.079 6.902 -5.507 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -4.613 9.133 -4.565 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -3.741 9.917 -5.867 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -6.130 8.066 -6.314 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -6.272 9.807 -6.177 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -6.185 9.113 -8.478 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -4.819 10.050 -8.103 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -4.681 8.363 -8.236 1.00 10.00 H new ATOM 143 N THR A 10 0.898 7.857 -5.489 1.00 10.00 N ATOM 144 CA THR A 10 2.274 8.227 -5.091 1.00 10.00 C ATOM 145 C THR A 10 2.532 9.740 -5.182 1.00 10.00 C ATOM 146 O THR A 10 1.789 10.471 -5.845 1.00 10.00 O ATOM 147 CB THR A 10 3.298 7.502 -5.983 1.00 10.00 C ATOM 148 OG1 THR A 10 3.101 7.851 -7.338 1.00 10.00 O ATOM 149 CG2 THR A 10 3.235 5.978 -5.884 1.00 10.00 C ATOM 0 H THR A 10 0.564 8.380 -6.298 1.00 10.00 H new ATOM 0 HA THR A 10 2.385 7.925 -4.050 1.00 10.00 H new ATOM 0 HB THR A 10 4.274 7.824 -5.620 1.00 10.00 H new ATOM 0 HG1 THR A 10 3.759 7.385 -7.895 1.00 10.00 H new ATOM 0 HG21 THR A 10 3.986 5.539 -6.541 1.00 10.00 H new ATOM 0 HG22 THR A 10 3.429 5.672 -4.856 1.00 10.00 H new ATOM 0 HG23 THR A 10 2.245 5.634 -6.184 1.00 10.00 H new ATOM 157 N LEU A 11 3.623 10.222 -4.566 1.00 10.00 N ATOM 158 CA LEU A 11 4.118 11.608 -4.706 1.00 10.00 C ATOM 159 C LEU A 11 4.469 11.969 -6.163 1.00 10.00 C ATOM 160 O LEU A 11 4.422 13.138 -6.553 1.00 10.00 O ATOM 161 CB LEU A 11 5.360 11.831 -3.817 1.00 10.00 C ATOM 162 CG LEU A 11 5.147 12.034 -2.305 1.00 10.00 C ATOM 163 CD1 LEU A 11 4.241 13.226 -1.989 1.00 10.00 C ATOM 164 CD2 LEU A 11 4.596 10.802 -1.594 1.00 10.00 C ATOM 0 H LEU A 11 4.198 9.653 -3.945 1.00 10.00 H new ATOM 0 HA LEU A 11 3.305 12.260 -4.386 1.00 10.00 H new ATOM 0 HB2 LEU A 11 6.021 10.974 -3.948 1.00 10.00 H new ATOM 0 HB3 LEU A 11 5.890 12.704 -4.199 1.00 10.00 H new ATOM 0 HG LEU A 11 6.149 12.231 -1.925 1.00 10.00 H new ATOM 0 HD11 LEU A 11 4.127 13.320 -0.909 1.00 10.00 H new ATOM 0 HD12 LEU A 11 4.687 14.137 -2.388 1.00 10.00 H new ATOM 0 HD13 LEU A 11 3.263 13.071 -2.445 1.00 10.00 H new ATOM 0 HD21 LEU A 11 4.472 11.019 -0.533 1.00 10.00 H new ATOM 0 HD22 LEU A 11 3.631 10.534 -2.025 1.00 10.00 H new ATOM 0 HD23 LEU A 11 5.291 9.971 -1.715 1.00 10.00 H new ATOM 176 N GLN A 12 4.759 10.959 -6.986 1.00 10.00 N ATOM 177 CA GLN A 12 5.032 11.054 -8.422 1.00 10.00 C ATOM 178 C GLN A 12 3.735 11.183 -9.263 1.00 10.00 C ATOM 179 O GLN A 12 3.768 11.016 -10.486 1.00 10.00 O ATOM 180 CB GLN A 12 5.885 9.839 -8.848 1.00 10.00 C ATOM 181 CG GLN A 12 7.312 9.812 -8.259 1.00 10.00 C ATOM 182 CD GLN A 12 7.416 9.501 -6.763 1.00 10.00 C ATOM 183 OE1 GLN A 12 6.557 8.886 -6.146 1.00 10.00 O ATOM 184 NE2 GLN A 12 8.477 9.925 -6.108 1.00 10.00 N ATOM 0 H GLN A 12 4.813 9.998 -6.649 1.00 10.00 H new ATOM 0 HA GLN A 12 5.592 11.969 -8.615 1.00 10.00 H new ATOM 0 HB2 GLN A 12 5.367 8.927 -8.551 1.00 10.00 H new ATOM 0 HB3 GLN A 12 5.956 9.826 -9.936 1.00 10.00 H new ATOM 0 HG2 GLN A 12 7.895 9.070 -8.805 1.00 10.00 H new ATOM 0 HG3 GLN A 12 7.777 10.781 -8.442 1.00 10.00 H new ATOM 0 HE21 GLN A 12 9.208 10.440 -6.599 1.00 10.00 H new ATOM 0 HE22 GLN A 12 8.568 9.738 -5.109 1.00 10.00 H new ATOM 193 N GLN A 13 2.604 11.514 -8.617 1.00 10.00 N ATOM 194 CA GLN A 13 1.332 11.952 -9.218 1.00 10.00 C ATOM 195 C GLN A 13 0.771 10.960 -10.256 1.00 10.00 C ATOM 196 O GLN A 13 0.287 11.335 -11.329 1.00 10.00 O ATOM 197 CB GLN A 13 1.479 13.405 -9.714 1.00 10.00 C ATOM 198 CG GLN A 13 1.681 14.397 -8.550 1.00 10.00 C ATOM 199 CD GLN A 13 2.707 15.479 -8.883 1.00 10.00 C ATOM 200 OE1 GLN A 13 2.466 16.391 -9.665 1.00 10.00 O ATOM 201 NE2 GLN A 13 3.889 15.424 -8.304 1.00 10.00 N ATOM 0 H GLN A 13 2.550 11.481 -7.599 1.00 10.00 H new ATOM 0 HA GLN A 13 0.556 11.950 -8.452 1.00 10.00 H new ATOM 0 HB2 GLN A 13 2.326 13.471 -10.397 1.00 10.00 H new ATOM 0 HB3 GLN A 13 0.591 13.686 -10.280 1.00 10.00 H new ATOM 0 HG2 GLN A 13 0.728 14.866 -8.305 1.00 10.00 H new ATOM 0 HG3 GLN A 13 2.005 13.852 -7.663 1.00 10.00 H new ATOM 0 HE21 GLN A 13 4.102 14.670 -7.651 1.00 10.00 H new ATOM 0 HE22 GLN A 13 4.591 16.135 -8.509 1.00 10.00 H new ATOM 210 N GLN A 14 0.864 9.672 -9.922 1.00 10.00 N ATOM 211 CA GLN A 14 0.420 8.529 -10.722 1.00 10.00 C ATOM 212 C GLN A 14 -0.218 7.459 -9.832 1.00 10.00 C ATOM 213 O GLN A 14 0.030 7.421 -8.621 1.00 10.00 O ATOM 214 CB GLN A 14 1.601 7.982 -11.543 1.00 10.00 C ATOM 215 CG GLN A 14 2.843 7.580 -10.727 1.00 10.00 C ATOM 216 CD GLN A 14 4.066 7.440 -11.626 1.00 10.00 C ATOM 217 OE1 GLN A 14 4.456 6.356 -12.042 1.00 10.00 O ATOM 218 NE2 GLN A 14 4.707 8.537 -11.975 1.00 10.00 N ATOM 0 H GLN A 14 1.275 9.382 -9.035 1.00 10.00 H new ATOM 0 HA GLN A 14 -0.351 8.851 -11.422 1.00 10.00 H new ATOM 0 HB2 GLN A 14 1.259 7.113 -12.105 1.00 10.00 H new ATOM 0 HB3 GLN A 14 1.895 8.737 -12.272 1.00 10.00 H new ATOM 0 HG2 GLN A 14 3.036 8.329 -9.959 1.00 10.00 H new ATOM 0 HG3 GLN A 14 2.655 6.637 -10.213 1.00 10.00 H new ATOM 0 HE21 GLN A 14 4.389 9.444 -11.633 1.00 10.00 H new ATOM 0 HE22 GLN A 14 5.521 8.479 -12.587 1.00 10.00 H new ATOM 227 N THR A 15 -1.026 6.584 -10.438 1.00 10.00 N ATOM 228 CA THR A 15 -1.837 5.585 -9.725 1.00 10.00 C ATOM 229 C THR A 15 -1.792 4.225 -10.432 1.00 10.00 C ATOM 230 O THR A 15 -1.828 4.162 -11.664 1.00 10.00 O ATOM 231 CB THR A 15 -3.308 6.034 -9.593 1.00 10.00 C ATOM 232 OG1 THR A 15 -3.448 7.428 -9.387 1.00 10.00 O ATOM 233 CG2 THR A 15 -4.010 5.362 -8.418 1.00 10.00 C ATOM 0 H THR A 15 -1.139 6.547 -11.451 1.00 10.00 H new ATOM 0 HA THR A 15 -1.406 5.489 -8.729 1.00 10.00 H new ATOM 0 HB THR A 15 -3.758 5.745 -10.543 1.00 10.00 H new ATOM 0 HG1 THR A 15 -4.102 7.789 -10.022 1.00 10.00 H new ATOM 0 HG21 THR A 15 -5.042 5.708 -8.364 1.00 10.00 H new ATOM 0 HG22 THR A 15 -3.997 4.281 -8.556 1.00 10.00 H new ATOM 0 HG23 THR A 15 -3.494 5.616 -7.492 1.00 10.00 H new ATOM 241 N PHE A 16 -1.743 3.132 -9.665 1.00 10.00 N ATOM 242 CA PHE A 16 -1.740 1.746 -10.160 1.00 10.00 C ATOM 243 C PHE A 16 -2.440 0.809 -9.163 1.00 10.00 C ATOM 244 O PHE A 16 -2.507 1.115 -7.974 1.00 10.00 O ATOM 245 CB PHE A 16 -0.289 1.290 -10.403 1.00 10.00 C ATOM 246 CG PHE A 16 0.602 1.293 -9.170 1.00 10.00 C ATOM 247 CD1 PHE A 16 1.262 2.477 -8.781 1.00 10.00 C ATOM 248 CD2 PHE A 16 0.776 0.119 -8.406 1.00 10.00 C ATOM 249 CE1 PHE A 16 2.051 2.499 -7.616 1.00 10.00 C ATOM 250 CE2 PHE A 16 1.585 0.143 -7.258 1.00 10.00 C ATOM 251 CZ PHE A 16 2.197 1.335 -6.844 1.00 10.00 C ATOM 0 H PHE A 16 -1.703 3.186 -8.647 1.00 10.00 H new ATOM 0 HA PHE A 16 -2.290 1.705 -11.100 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -0.306 0.282 -10.818 1.00 10.00 H new ATOM 0 HB3 PHE A 16 0.158 1.938 -11.157 1.00 10.00 H new ATOM 0 HD1 PHE A 16 1.162 3.370 -9.380 1.00 10.00 H new ATOM 0 HD2 PHE A 16 0.288 -0.797 -8.704 1.00 10.00 H new ATOM 0 HE1 PHE A 16 2.544 3.411 -7.315 1.00 10.00 H new ATOM 0 HE2 PHE A 16 1.737 -0.763 -6.690 1.00 10.00 H new ATOM 0 HZ PHE A 16 2.779 1.358 -5.934 1.00 10.00 H new ATOM 261 N LYS A 17 -2.951 -0.342 -9.616 1.00 10.00 N ATOM 262 CA LYS A 17 -3.676 -1.302 -8.776 1.00 10.00 C ATOM 263 C LYS A 17 -2.925 -2.615 -8.578 1.00 10.00 C ATOM 264 O LYS A 17 -2.295 -3.136 -9.500 1.00 10.00 O ATOM 265 CB LYS A 17 -5.061 -1.571 -9.365 1.00 10.00 C ATOM 266 CG LYS A 17 -5.855 -0.275 -9.591 1.00 10.00 C ATOM 267 CD LYS A 17 -7.336 -0.625 -9.630 1.00 10.00 C ATOM 268 CE LYS A 17 -8.218 0.603 -9.875 1.00 10.00 C ATOM 269 NZ LYS A 17 -9.633 0.327 -9.511 1.00 10.00 N ATOM 0 H LYS A 17 -2.871 -0.636 -10.589 1.00 10.00 H new ATOM 0 HA LYS A 17 -3.772 -0.847 -7.790 1.00 10.00 H new ATOM 0 HB2 LYS A 17 -4.955 -2.100 -10.312 1.00 10.00 H new ATOM 0 HB3 LYS A 17 -5.619 -2.225 -8.695 1.00 10.00 H new ATOM 0 HG2 LYS A 17 -5.654 0.438 -8.792 1.00 10.00 H new ATOM 0 HG3 LYS A 17 -5.552 0.199 -10.525 1.00 10.00 H new ATOM 0 HD2 LYS A 17 -7.513 -1.359 -10.416 1.00 10.00 H new ATOM 0 HD3 LYS A 17 -7.621 -1.092 -8.687 1.00 10.00 H new ATOM 0 HE2 LYS A 17 -7.846 1.444 -9.290 1.00 10.00 H new ATOM 0 HE3 LYS A 17 -8.159 0.893 -10.924 1.00 10.00 H new ATOM 0 HZ1 LYS A 17 -10.199 1.190 -9.639 1.00 10.00 H new ATOM 0 HZ2 LYS A 17 -10.008 -0.426 -10.122 1.00 10.00 H new ATOM 0 HZ3 LYS A 17 -9.683 0.024 -8.517 1.00 10.00 H new ATOM 283 N ILE A 18 -3.051 -3.148 -7.367 1.00 10.00 N ATOM 284 CA ILE A 18 -2.344 -4.307 -6.805 1.00 10.00 C ATOM 285 C ILE A 18 -3.378 -5.276 -6.210 1.00 10.00 C ATOM 286 O ILE A 18 -4.482 -4.854 -5.874 1.00 10.00 O ATOM 287 CB ILE A 18 -1.362 -3.785 -5.723 1.00 10.00 C ATOM 288 CG1 ILE A 18 -0.297 -2.826 -6.298 1.00 10.00 C ATOM 289 CG2 ILE A 18 -0.661 -4.904 -4.935 1.00 10.00 C ATOM 290 CD1 ILE A 18 0.496 -3.364 -7.497 1.00 10.00 C ATOM 0 H ILE A 18 -3.704 -2.751 -6.692 1.00 10.00 H new ATOM 0 HA ILE A 18 -1.779 -4.844 -7.567 1.00 10.00 H new ATOM 0 HB ILE A 18 -1.999 -3.234 -5.031 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -0.789 -1.900 -6.596 1.00 10.00 H new ATOM 0 HG13 ILE A 18 0.405 -2.572 -5.504 1.00 10.00 H new ATOM 0 HG21 ILE A 18 0.010 -4.464 -4.197 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -1.408 -5.515 -4.428 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -0.087 -5.527 -5.621 1.00 10.00 H new ATOM 0 HD11 ILE A 18 1.216 -2.614 -7.823 1.00 10.00 H new ATOM 0 HD12 ILE A 18 1.024 -4.272 -7.206 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -0.189 -3.589 -8.315 1.00 10.00 H new ATOM 302 N ASP A 19 -3.036 -6.556 -6.039 1.00 10.00 N ATOM 303 CA ASP A 19 -3.893 -7.545 -5.374 1.00 10.00 C ATOM 304 C ASP A 19 -3.095 -8.467 -4.435 1.00 10.00 C ATOM 305 O ASP A 19 -2.014 -8.952 -4.785 1.00 10.00 O ATOM 306 CB ASP A 19 -4.707 -8.343 -6.401 1.00 10.00 C ATOM 307 CG ASP A 19 -3.879 -9.360 -7.212 1.00 10.00 C ATOM 308 OD1 ASP A 19 -3.151 -8.952 -8.151 1.00 10.00 O ATOM 309 OD2 ASP A 19 -3.991 -10.581 -6.943 1.00 10.00 O ATOM 0 H ASP A 19 -2.148 -6.940 -6.361 1.00 10.00 H new ATOM 0 HA ASP A 19 -4.595 -6.998 -4.745 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -5.506 -8.873 -5.882 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -5.183 -7.646 -7.091 1.00 10.00 H new ATOM 314 N ILE A 20 -3.629 -8.678 -3.227 1.00 10.00 N ATOM 315 CA ILE A 20 -3.052 -9.492 -2.139 1.00 10.00 C ATOM 316 C ILE A 20 -4.169 -10.197 -1.340 1.00 10.00 C ATOM 317 O ILE A 20 -5.353 -9.909 -1.518 1.00 10.00 O ATOM 318 CB ILE A 20 -2.120 -8.660 -1.201 1.00 10.00 C ATOM 319 CG1 ILE A 20 -2.847 -7.696 -0.232 1.00 10.00 C ATOM 320 CG2 ILE A 20 -0.985 -7.922 -1.949 1.00 10.00 C ATOM 321 CD1 ILE A 20 -3.877 -6.745 -0.854 1.00 10.00 C ATOM 0 H ILE A 20 -4.524 -8.265 -2.963 1.00 10.00 H new ATOM 0 HA ILE A 20 -2.424 -10.253 -2.601 1.00 10.00 H new ATOM 0 HB ILE A 20 -1.668 -9.432 -0.578 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -3.350 -8.293 0.529 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -2.095 -7.096 0.280 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -0.379 -7.366 -1.234 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -0.359 -8.648 -2.468 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -1.416 -7.231 -2.674 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -4.316 -6.123 -0.074 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -3.387 -6.110 -1.592 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -4.662 -7.325 -1.339 1.00 10.00 H new ATOM 333 N ASP A 21 -3.823 -11.124 -0.446 1.00 10.00 N ATOM 334 CA ASP A 21 -4.761 -11.685 0.543 1.00 10.00 C ATOM 335 C ASP A 21 -5.090 -10.634 1.641 1.00 10.00 C ATOM 336 O ASP A 21 -4.169 -10.178 2.328 1.00 10.00 O ATOM 337 CB ASP A 21 -4.133 -12.962 1.125 1.00 10.00 C ATOM 338 CG ASP A 21 -5.028 -13.734 2.118 1.00 10.00 C ATOM 339 OD1 ASP A 21 -5.873 -13.117 2.808 1.00 10.00 O ATOM 340 OD2 ASP A 21 -4.855 -14.972 2.232 1.00 10.00 O ATOM 0 H ASP A 21 -2.882 -11.512 -0.382 1.00 10.00 H new ATOM 0 HA ASP A 21 -5.710 -11.942 0.072 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -3.871 -13.627 0.303 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -3.204 -12.695 1.628 1.00 10.00 H new ATOM 345 N PRO A 22 -6.361 -10.222 1.842 1.00 10.00 N ATOM 346 CA PRO A 22 -6.727 -9.174 2.804 1.00 10.00 C ATOM 347 C PRO A 22 -6.553 -9.559 4.283 1.00 10.00 C ATOM 348 O PRO A 22 -6.603 -8.680 5.147 1.00 10.00 O ATOM 349 CB PRO A 22 -8.188 -8.833 2.497 1.00 10.00 C ATOM 350 CG PRO A 22 -8.738 -10.131 1.915 1.00 10.00 C ATOM 351 CD PRO A 22 -7.547 -10.669 1.127 1.00 10.00 C ATOM 0 HA PRO A 22 -6.051 -8.328 2.683 1.00 10.00 H new ATOM 0 HB2 PRO A 22 -8.728 -8.534 3.395 1.00 10.00 H new ATOM 0 HB3 PRO A 22 -8.268 -8.009 1.788 1.00 10.00 H new ATOM 0 HG2 PRO A 22 -9.055 -10.823 2.695 1.00 10.00 H new ATOM 0 HG3 PRO A 22 -9.602 -9.955 1.275 1.00 10.00 H new ATOM 0 HD2 PRO A 22 -7.579 -11.757 1.065 1.00 10.00 H new ATOM 0 HD3 PRO A 22 -7.552 -10.291 0.105 1.00 10.00 H new ATOM 359 N GLU A 23 -6.345 -10.838 4.607 1.00 10.00 N ATOM 360 CA GLU A 23 -6.003 -11.285 5.964 1.00 10.00 C ATOM 361 C GLU A 23 -4.491 -11.198 6.263 1.00 10.00 C ATOM 362 O GLU A 23 -4.078 -11.428 7.402 1.00 10.00 O ATOM 363 CB GLU A 23 -6.538 -12.704 6.223 1.00 10.00 C ATOM 364 CG GLU A 23 -8.070 -12.773 6.130 1.00 10.00 C ATOM 365 CD GLU A 23 -8.596 -14.139 6.611 1.00 10.00 C ATOM 366 OE1 GLU A 23 -8.785 -14.321 7.840 1.00 10.00 O ATOM 367 OE2 GLU A 23 -8.843 -15.040 5.771 1.00 10.00 O ATOM 0 H GLU A 23 -6.409 -11.600 3.932 1.00 10.00 H new ATOM 0 HA GLU A 23 -6.492 -10.596 6.653 1.00 10.00 H new ATOM 0 HB2 GLU A 23 -6.101 -13.393 5.500 1.00 10.00 H new ATOM 0 HB3 GLU A 23 -6.221 -13.035 7.212 1.00 10.00 H new ATOM 0 HG2 GLU A 23 -8.510 -11.978 6.733 1.00 10.00 H new ATOM 0 HG3 GLU A 23 -8.383 -12.602 5.100 1.00 10.00 H new ATOM 374 N GLU A 24 -3.656 -10.830 5.283 1.00 10.00 N ATOM 375 CA GLU A 24 -2.250 -10.473 5.519 1.00 10.00 C ATOM 376 C GLU A 24 -2.123 -9.006 5.966 1.00 10.00 C ATOM 377 O GLU A 24 -3.050 -8.203 5.821 1.00 10.00 O ATOM 378 CB GLU A 24 -1.402 -10.718 4.259 1.00 10.00 C ATOM 379 CG GLU A 24 -1.315 -12.198 3.858 1.00 10.00 C ATOM 380 CD GLU A 24 -0.583 -13.055 4.912 1.00 10.00 C ATOM 381 OE1 GLU A 24 0.609 -12.787 5.200 1.00 10.00 O ATOM 382 OE2 GLU A 24 -1.187 -14.012 5.455 1.00 10.00 O ATOM 0 H GLU A 24 -3.935 -10.771 4.304 1.00 10.00 H new ATOM 0 HA GLU A 24 -1.875 -11.112 6.318 1.00 10.00 H new ATOM 0 HB2 GLU A 24 -1.824 -10.149 3.430 1.00 10.00 H new ATOM 0 HB3 GLU A 24 -0.395 -10.336 4.428 1.00 10.00 H new ATOM 0 HG2 GLU A 24 -2.321 -12.591 3.711 1.00 10.00 H new ATOM 0 HG3 GLU A 24 -0.797 -12.282 2.903 1.00 10.00 H new ATOM 389 N THR A 25 -0.965 -8.650 6.522 1.00 10.00 N ATOM 390 CA THR A 25 -0.665 -7.288 6.988 1.00 10.00 C ATOM 391 C THR A 25 -0.294 -6.362 5.829 1.00 10.00 C ATOM 392 O THR A 25 -0.053 -6.800 4.701 1.00 10.00 O ATOM 393 CB THR A 25 0.454 -7.292 8.044 1.00 10.00 C ATOM 394 OG1 THR A 25 1.620 -7.875 7.509 1.00 10.00 O ATOM 395 CG2 THR A 25 0.078 -8.086 9.295 1.00 10.00 C ATOM 0 H THR A 25 -0.196 -9.305 6.665 1.00 10.00 H new ATOM 0 HA THR A 25 -1.575 -6.904 7.449 1.00 10.00 H new ATOM 0 HB THR A 25 0.617 -6.251 8.321 1.00 10.00 H new ATOM 0 HG1 THR A 25 2.328 -7.872 8.187 1.00 10.00 H new ATOM 0 HG21 THR A 25 0.903 -8.056 10.007 1.00 10.00 H new ATOM 0 HG22 THR A 25 -0.810 -7.648 9.750 1.00 10.00 H new ATOM 0 HG23 THR A 25 -0.127 -9.121 9.021 1.00 10.00 H new ATOM 403 N VAL A 26 -0.204 -5.059 6.114 1.00 10.00 N ATOM 404 CA VAL A 26 0.250 -4.014 5.162 1.00 10.00 C ATOM 405 C VAL A 26 1.597 -4.338 4.489 1.00 10.00 C ATOM 406 O VAL A 26 1.821 -3.939 3.342 1.00 10.00 O ATOM 407 CB VAL A 26 0.286 -2.634 5.851 1.00 10.00 C ATOM 408 CG1 VAL A 26 0.634 -1.485 4.894 1.00 10.00 C ATOM 409 CG2 VAL A 26 -1.063 -2.291 6.494 1.00 10.00 C ATOM 0 H VAL A 26 -0.448 -4.683 7.030 1.00 10.00 H new ATOM 0 HA VAL A 26 -0.483 -3.990 4.356 1.00 10.00 H new ATOM 0 HB VAL A 26 1.069 -2.724 6.604 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.642 -0.544 5.443 1.00 10.00 H new ATOM 0 HG12 VAL A 26 1.618 -1.659 4.459 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -0.111 -1.435 4.100 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.001 -1.312 6.970 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.837 -2.273 5.727 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.311 -3.043 7.243 1.00 10.00 H new ATOM 419 N LYS A 27 2.447 -5.152 5.135 1.00 10.00 N ATOM 420 CA LYS A 27 3.656 -5.755 4.546 1.00 10.00 C ATOM 421 C LYS A 27 3.398 -6.367 3.163 1.00 10.00 C ATOM 422 O LYS A 27 4.186 -6.144 2.251 1.00 10.00 O ATOM 423 CB LYS A 27 4.242 -6.823 5.486 1.00 10.00 C ATOM 424 CG LYS A 27 4.654 -6.267 6.858 1.00 10.00 C ATOM 425 CD LYS A 27 5.296 -7.365 7.718 1.00 10.00 C ATOM 426 CE LYS A 27 5.522 -6.931 9.173 1.00 10.00 C ATOM 427 NZ LYS A 27 6.515 -5.836 9.303 1.00 10.00 N ATOM 0 H LYS A 27 2.309 -5.417 6.110 1.00 10.00 H new ATOM 0 HA LYS A 27 4.375 -4.946 4.417 1.00 10.00 H new ATOM 0 HB2 LYS A 27 3.506 -7.614 5.629 1.00 10.00 H new ATOM 0 HB3 LYS A 27 5.111 -7.278 5.010 1.00 10.00 H new ATOM 0 HG2 LYS A 27 5.356 -5.444 6.726 1.00 10.00 H new ATOM 0 HG3 LYS A 27 3.781 -5.862 7.369 1.00 10.00 H new ATOM 0 HD2 LYS A 27 4.659 -8.250 7.703 1.00 10.00 H new ATOM 0 HD3 LYS A 27 6.251 -7.652 7.278 1.00 10.00 H new ATOM 0 HE2 LYS A 27 4.574 -6.607 9.601 1.00 10.00 H new ATOM 0 HE3 LYS A 27 5.858 -7.790 9.755 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 6.664 -5.620 10.309 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 7.416 -6.132 8.875 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 6.162 -4.988 8.815 1.00 10.00 H new ATOM 441 N ALA A 28 2.282 -7.072 2.966 1.00 10.00 N ATOM 442 CA ALA A 28 1.972 -7.752 1.709 1.00 10.00 C ATOM 443 C ALA A 28 1.829 -6.798 0.505 1.00 10.00 C ATOM 444 O ALA A 28 2.343 -7.090 -0.575 1.00 10.00 O ATOM 445 CB ALA A 28 0.696 -8.578 1.917 1.00 10.00 C ATOM 0 H ALA A 28 1.563 -7.187 3.680 1.00 10.00 H new ATOM 0 HA ALA A 28 2.814 -8.396 1.455 1.00 10.00 H new ATOM 0 HB1 ALA A 28 0.443 -9.096 0.992 1.00 10.00 H new ATOM 0 HB2 ALA A 28 0.861 -9.309 2.709 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -0.124 -7.917 2.198 1.00 10.00 H new ATOM 451 N LEU A 29 1.183 -5.640 0.692 1.00 10.00 N ATOM 452 CA LEU A 29 1.125 -4.570 -0.311 1.00 10.00 C ATOM 453 C LEU A 29 2.492 -3.905 -0.471 1.00 10.00 C ATOM 454 O LEU A 29 2.952 -3.695 -1.588 1.00 10.00 O ATOM 455 CB LEU A 29 0.113 -3.485 0.122 1.00 10.00 C ATOM 456 CG LEU A 29 -1.372 -3.822 -0.079 1.00 10.00 C ATOM 457 CD1 LEU A 29 -2.231 -2.727 0.557 1.00 10.00 C ATOM 458 CD2 LEU A 29 -1.738 -3.900 -1.561 1.00 10.00 C ATOM 0 H LEU A 29 0.681 -5.418 1.552 1.00 10.00 H new ATOM 0 HA LEU A 29 0.818 -5.019 -1.256 1.00 10.00 H new ATOM 0 HB2 LEU A 29 0.275 -3.268 1.178 1.00 10.00 H new ATOM 0 HB3 LEU A 29 0.334 -2.571 -0.429 1.00 10.00 H new ATOM 0 HG LEU A 29 -1.554 -4.791 0.385 1.00 10.00 H new ATOM 0 HD11 LEU A 29 -3.286 -2.964 0.416 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -2.012 -2.666 1.623 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -2.008 -1.770 0.086 1.00 10.00 H new ATOM 0 HD21 LEU A 29 -2.796 -4.140 -1.662 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -1.537 -2.940 -2.036 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -1.142 -4.675 -2.043 1.00 10.00 H new ATOM 470 N LYS A 30 3.143 -3.527 0.633 1.00 10.00 N ATOM 471 CA LYS A 30 4.303 -2.633 0.549 1.00 10.00 C ATOM 472 C LYS A 30 5.609 -3.333 0.165 1.00 10.00 C ATOM 473 O LYS A 30 6.447 -2.738 -0.510 1.00 10.00 O ATOM 474 CB LYS A 30 4.344 -1.762 1.818 1.00 10.00 C ATOM 475 CG LYS A 30 4.975 -2.403 3.063 1.00 10.00 C ATOM 476 CD LYS A 30 6.453 -2.014 3.193 1.00 10.00 C ATOM 477 CE LYS A 30 7.143 -2.631 4.416 1.00 10.00 C ATOM 478 NZ LYS A 30 6.661 -2.057 5.695 1.00 10.00 N ATOM 0 H LYS A 30 2.894 -3.819 1.578 1.00 10.00 H new ATOM 0 HA LYS A 30 4.183 -1.959 -0.299 1.00 10.00 H new ATOM 0 HB2 LYS A 30 4.892 -0.848 1.588 1.00 10.00 H new ATOM 0 HB3 LYS A 30 3.324 -1.468 2.064 1.00 10.00 H new ATOM 0 HG2 LYS A 30 4.432 -2.087 3.954 1.00 10.00 H new ATOM 0 HG3 LYS A 30 4.885 -3.488 3.003 1.00 10.00 H new ATOM 0 HD2 LYS A 30 6.983 -2.324 2.292 1.00 10.00 H new ATOM 0 HD3 LYS A 30 6.531 -0.928 3.251 1.00 10.00 H new ATOM 0 HE2 LYS A 30 6.973 -3.708 4.419 1.00 10.00 H new ATOM 0 HE3 LYS A 30 8.219 -2.478 4.337 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 7.229 -2.434 6.480 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 6.752 -1.021 5.667 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 5.663 -2.313 5.836 1.00 10.00 H new ATOM 492 N GLU A 31 5.765 -4.612 0.505 1.00 10.00 N ATOM 493 CA GLU A 31 6.867 -5.438 0.008 1.00 10.00 C ATOM 494 C GLU A 31 6.758 -5.693 -1.500 1.00 10.00 C ATOM 495 O GLU A 31 7.783 -5.668 -2.186 1.00 10.00 O ATOM 496 CB GLU A 31 6.940 -6.786 0.748 1.00 10.00 C ATOM 497 CG GLU A 31 7.415 -6.650 2.204 1.00 10.00 C ATOM 498 CD GLU A 31 7.598 -8.037 2.850 1.00 10.00 C ATOM 499 OE1 GLU A 31 6.590 -8.718 3.159 1.00 10.00 O ATOM 500 OE2 GLU A 31 8.762 -8.463 3.057 1.00 10.00 O ATOM 0 H GLU A 31 5.131 -5.106 1.133 1.00 10.00 H new ATOM 0 HA GLU A 31 7.781 -4.876 0.200 1.00 10.00 H new ATOM 0 HB2 GLU A 31 5.956 -7.254 0.735 1.00 10.00 H new ATOM 0 HB3 GLU A 31 7.617 -7.452 0.212 1.00 10.00 H new ATOM 0 HG2 GLU A 31 8.357 -6.102 2.235 1.00 10.00 H new ATOM 0 HG3 GLU A 31 6.690 -6.070 2.775 1.00 10.00 H new ATOM 507 N LYS A 32 5.549 -5.917 -2.048 1.00 10.00 N ATOM 508 CA LYS A 32 5.418 -6.305 -3.457 1.00 10.00 C ATOM 509 C LYS A 32 5.748 -5.167 -4.436 1.00 10.00 C ATOM 510 O LYS A 32 6.331 -5.429 -5.484 1.00 10.00 O ATOM 511 CB LYS A 32 4.036 -6.945 -3.677 1.00 10.00 C ATOM 512 CG LYS A 32 2.911 -5.950 -4.007 1.00 10.00 C ATOM 513 CD LYS A 32 2.708 -5.690 -5.508 1.00 10.00 C ATOM 514 CE LYS A 32 2.281 -6.967 -6.258 1.00 10.00 C ATOM 515 NZ LYS A 32 2.019 -6.723 -7.698 1.00 10.00 N ATOM 0 H LYS A 32 4.666 -5.837 -1.544 1.00 10.00 H new ATOM 0 HA LYS A 32 6.175 -7.055 -3.687 1.00 10.00 H new ATOM 0 HB2 LYS A 32 4.111 -7.669 -4.488 1.00 10.00 H new ATOM 0 HB3 LYS A 32 3.761 -7.499 -2.780 1.00 10.00 H new ATOM 0 HG2 LYS A 32 1.978 -6.325 -3.587 1.00 10.00 H new ATOM 0 HG3 LYS A 32 3.125 -5.002 -3.513 1.00 10.00 H new ATOM 0 HD2 LYS A 32 1.950 -4.918 -5.644 1.00 10.00 H new ATOM 0 HD3 LYS A 32 3.633 -5.308 -5.939 1.00 10.00 H new ATOM 0 HE2 LYS A 32 3.062 -7.721 -6.157 1.00 10.00 H new ATOM 0 HE3 LYS A 32 1.383 -7.374 -5.793 1.00 10.00 H new ATOM 0 HZ1 LYS A 32 2.406 -7.508 -8.259 1.00 10.00 H new ATOM 0 HZ2 LYS A 32 0.994 -6.656 -7.858 1.00 10.00 H new ATOM 0 HZ3 LYS A 32 2.473 -5.834 -7.988 1.00 10.00 H new ATOM 529 N ILE A 33 5.401 -3.909 -4.120 1.00 10.00 N ATOM 530 CA ILE A 33 5.581 -2.779 -5.055 1.00 10.00 C ATOM 531 C ILE A 33 7.058 -2.371 -5.212 1.00 10.00 C ATOM 532 O ILE A 33 7.430 -1.751 -6.210 1.00 10.00 O ATOM 533 CB ILE A 33 4.684 -1.572 -4.707 1.00 10.00 C ATOM 534 CG1 ILE A 33 5.058 -0.812 -3.416 1.00 10.00 C ATOM 535 CG2 ILE A 33 3.214 -2.006 -4.669 1.00 10.00 C ATOM 536 CD1 ILE A 33 5.903 0.430 -3.721 1.00 10.00 C ATOM 0 H ILE A 33 4.993 -3.645 -3.223 1.00 10.00 H new ATOM 0 HA ILE A 33 5.252 -3.142 -6.028 1.00 10.00 H new ATOM 0 HB ILE A 33 4.854 -0.851 -5.507 1.00 10.00 H new ATOM 0 HG12 ILE A 33 4.150 -0.516 -2.891 1.00 10.00 H new ATOM 0 HG13 ILE A 33 5.610 -1.474 -2.749 1.00 10.00 H new ATOM 0 HG21 ILE A 33 2.588 -1.149 -4.423 1.00 10.00 H new ATOM 0 HG22 ILE A 33 2.925 -2.398 -5.644 1.00 10.00 H new ATOM 0 HG23 ILE A 33 3.083 -2.780 -3.913 1.00 10.00 H new ATOM 0 HD11 ILE A 33 6.148 0.941 -2.790 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.823 0.130 -4.223 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.340 1.104 -4.367 1.00 10.00 H new ATOM 548 N GLU A 34 7.921 -2.757 -4.262 1.00 10.00 N ATOM 549 CA GLU A 34 9.374 -2.536 -4.311 1.00 10.00 C ATOM 550 C GLU A 34 10.022 -3.160 -5.562 1.00 10.00 C ATOM 551 O GLU A 34 10.965 -2.584 -6.107 1.00 10.00 O ATOM 552 CB GLU A 34 10.017 -3.088 -3.023 1.00 10.00 C ATOM 553 CG GLU A 34 11.511 -2.748 -2.901 1.00 10.00 C ATOM 554 CD GLU A 34 12.131 -3.320 -1.611 1.00 10.00 C ATOM 555 OE1 GLU A 34 12.339 -4.555 -1.534 1.00 10.00 O ATOM 556 OE2 GLU A 34 12.442 -2.536 -0.682 1.00 10.00 O ATOM 0 H GLU A 34 7.621 -3.244 -3.417 1.00 10.00 H new ATOM 0 HA GLU A 34 9.551 -1.463 -4.378 1.00 10.00 H new ATOM 0 HB2 GLU A 34 9.487 -2.687 -2.159 1.00 10.00 H new ATOM 0 HB3 GLU A 34 9.894 -4.171 -2.998 1.00 10.00 H new ATOM 0 HG2 GLU A 34 12.044 -3.143 -3.766 1.00 10.00 H new ATOM 0 HG3 GLU A 34 11.639 -1.666 -2.915 1.00 10.00 H new ATOM 563 N SER A 35 9.513 -4.292 -6.068 1.00 10.00 N ATOM 564 CA SER A 35 10.054 -4.918 -7.292 1.00 10.00 C ATOM 565 C SER A 35 9.632 -4.207 -8.589 1.00 10.00 C ATOM 566 O SER A 35 10.281 -4.357 -9.626 1.00 10.00 O ATOM 567 CB SER A 35 9.673 -6.397 -7.366 1.00 10.00 C ATOM 568 OG SER A 35 8.279 -6.574 -7.556 1.00 10.00 O ATOM 0 H SER A 35 8.729 -4.795 -5.653 1.00 10.00 H new ATOM 0 HA SER A 35 11.137 -4.819 -7.215 1.00 10.00 H new ATOM 0 HB2 SER A 35 10.214 -6.871 -8.185 1.00 10.00 H new ATOM 0 HB3 SER A 35 9.981 -6.898 -6.448 1.00 10.00 H new ATOM 0 HG SER A 35 7.792 -6.143 -6.823 1.00 10.00 H new ATOM 574 N GLU A 36 8.561 -3.410 -8.533 1.00 10.00 N ATOM 575 CA GLU A 36 7.969 -2.709 -9.682 1.00 10.00 C ATOM 576 C GLU A 36 8.482 -1.266 -9.848 1.00 10.00 C ATOM 577 O GLU A 36 8.644 -0.804 -10.981 1.00 10.00 O ATOM 578 CB GLU A 36 6.449 -2.653 -9.506 1.00 10.00 C ATOM 579 CG GLU A 36 5.747 -4.012 -9.600 1.00 10.00 C ATOM 580 CD GLU A 36 4.239 -3.887 -9.317 1.00 10.00 C ATOM 581 OE1 GLU A 36 3.688 -2.759 -9.372 1.00 10.00 O ATOM 582 OE2 GLU A 36 3.601 -4.928 -9.033 1.00 10.00 O ATOM 0 H GLU A 36 8.065 -3.228 -7.661 1.00 10.00 H new ATOM 0 HA GLU A 36 8.259 -3.269 -10.571 1.00 10.00 H new ATOM 0 HB2 GLU A 36 6.225 -2.209 -8.536 1.00 10.00 H new ATOM 0 HB3 GLU A 36 6.032 -1.990 -10.264 1.00 10.00 H new ATOM 0 HG2 GLU A 36 5.898 -4.433 -10.594 1.00 10.00 H new ATOM 0 HG3 GLU A 36 6.196 -4.705 -8.888 1.00 10.00 H new ATOM 589 N LYS A 37 8.750 -0.558 -8.738 1.00 10.00 N ATOM 590 CA LYS A 37 9.208 0.850 -8.724 1.00 10.00 C ATOM 591 C LYS A 37 10.599 1.049 -8.099 1.00 10.00 C ATOM 592 O LYS A 37 11.151 2.147 -8.170 1.00 10.00 O ATOM 593 CB LYS A 37 8.139 1.766 -8.086 1.00 10.00 C ATOM 594 CG LYS A 37 6.890 1.955 -8.968 1.00 10.00 C ATOM 595 CD LYS A 37 5.749 0.972 -8.669 1.00 10.00 C ATOM 596 CE LYS A 37 4.800 0.916 -9.876 1.00 10.00 C ATOM 597 NZ LYS A 37 3.653 0.000 -9.655 1.00 10.00 N ATOM 0 H LYS A 37 8.654 -0.953 -7.803 1.00 10.00 H new ATOM 0 HA LYS A 37 9.332 1.145 -9.766 1.00 10.00 H new ATOM 0 HB2 LYS A 37 7.837 1.346 -7.127 1.00 10.00 H new ATOM 0 HB3 LYS A 37 8.582 2.741 -7.882 1.00 10.00 H new ATOM 0 HG2 LYS A 37 6.520 2.972 -8.840 1.00 10.00 H new ATOM 0 HG3 LYS A 37 7.179 1.850 -10.014 1.00 10.00 H new ATOM 0 HD2 LYS A 37 6.152 -0.019 -8.462 1.00 10.00 H new ATOM 0 HD3 LYS A 37 5.205 1.287 -7.778 1.00 10.00 H new ATOM 0 HE2 LYS A 37 4.426 1.918 -10.086 1.00 10.00 H new ATOM 0 HE3 LYS A 37 5.355 0.592 -10.756 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 3.071 -0.041 -10.516 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 4.007 -0.952 -9.430 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 3.076 0.351 -8.864 1.00 10.00 H new ATOM 611 N GLY A 38 11.192 -0.014 -7.555 1.00 10.00 N ATOM 612 CA GLY A 38 12.578 -0.076 -7.091 1.00 10.00 C ATOM 613 C GLY A 38 12.750 0.301 -5.618 1.00 10.00 C ATOM 614 O GLY A 38 12.166 1.273 -5.131 1.00 10.00 O ATOM 0 H GLY A 38 10.697 -0.895 -7.420 1.00 10.00 H new ATOM 0 HA2 GLY A 38 12.959 -1.085 -7.246 1.00 10.00 H new ATOM 0 HA3 GLY A 38 13.187 0.591 -7.701 1.00 10.00 H new ATOM 618 N LYS A 39 13.639 -0.416 -4.919 1.00 10.00 N ATOM 619 CA LYS A 39 14.111 -0.097 -3.563 1.00 10.00 C ATOM 620 C LYS A 39 14.740 1.301 -3.471 1.00 10.00 C ATOM 621 O LYS A 39 14.666 1.953 -2.435 1.00 10.00 O ATOM 622 CB LYS A 39 15.066 -1.236 -3.155 1.00 10.00 C ATOM 623 CG LYS A 39 15.561 -1.152 -1.707 1.00 10.00 C ATOM 624 CD LYS A 39 16.901 -0.422 -1.549 1.00 10.00 C ATOM 625 CE LYS A 39 18.076 -1.296 -2.011 1.00 10.00 C ATOM 626 NZ LYS A 39 19.380 -0.609 -1.817 1.00 10.00 N ATOM 0 H LYS A 39 14.065 -1.264 -5.294 1.00 10.00 H new ATOM 0 HA LYS A 39 13.279 -0.043 -2.861 1.00 10.00 H new ATOM 0 HB2 LYS A 39 14.558 -2.190 -3.299 1.00 10.00 H new ATOM 0 HB3 LYS A 39 15.928 -1.229 -3.823 1.00 10.00 H new ATOM 0 HG2 LYS A 39 14.808 -0.643 -1.105 1.00 10.00 H new ATOM 0 HG3 LYS A 39 15.659 -2.162 -1.308 1.00 10.00 H new ATOM 0 HD2 LYS A 39 16.884 0.502 -2.128 1.00 10.00 H new ATOM 0 HD3 LYS A 39 17.043 -0.142 -0.505 1.00 10.00 H new ATOM 0 HE2 LYS A 39 18.072 -2.234 -1.456 1.00 10.00 H new ATOM 0 HE3 LYS A 39 17.950 -1.548 -3.064 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 20.150 -1.229 -2.140 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 19.392 0.274 -2.367 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 19.511 -0.391 -0.809 1.00 10.00 H new ATOM 640 N ASP A 40 15.302 1.787 -4.577 1.00 10.00 N ATOM 641 CA ASP A 40 15.840 3.147 -4.739 1.00 10.00 C ATOM 642 C ASP A 40 14.797 4.276 -4.558 1.00 10.00 C ATOM 643 O ASP A 40 15.174 5.413 -4.262 1.00 10.00 O ATOM 644 CB ASP A 40 16.501 3.230 -6.125 1.00 10.00 C ATOM 645 CG ASP A 40 17.273 4.543 -6.341 1.00 10.00 C ATOM 646 OD1 ASP A 40 18.304 4.759 -5.659 1.00 10.00 O ATOM 647 OD2 ASP A 40 16.875 5.346 -7.221 1.00 10.00 O ATOM 0 H ASP A 40 15.401 1.225 -5.422 1.00 10.00 H new ATOM 0 HA ASP A 40 16.562 3.314 -3.940 1.00 10.00 H new ATOM 0 HB2 ASP A 40 17.183 2.389 -6.248 1.00 10.00 H new ATOM 0 HB3 ASP A 40 15.735 3.134 -6.894 1.00 10.00 H new ATOM 652 N ALA A 41 13.497 3.975 -4.691 1.00 10.00 N ATOM 653 CA ALA A 41 12.398 4.948 -4.596 1.00 10.00 C ATOM 654 C ALA A 41 11.291 4.557 -3.593 1.00 10.00 C ATOM 655 O ALA A 41 10.618 5.443 -3.062 1.00 10.00 O ATOM 656 CB ALA A 41 11.821 5.156 -6.002 1.00 10.00 C ATOM 0 H ALA A 41 13.172 3.025 -4.872 1.00 10.00 H new ATOM 0 HA ALA A 41 12.810 5.876 -4.201 1.00 10.00 H new ATOM 0 HB1 ALA A 41 11.003 5.875 -5.957 1.00 10.00 H new ATOM 0 HB2 ALA A 41 12.601 5.535 -6.663 1.00 10.00 H new ATOM 0 HB3 ALA A 41 11.449 4.206 -6.387 1.00 10.00 H new ATOM 662 N PHE A 42 11.130 3.265 -3.289 1.00 10.00 N ATOM 663 CA PHE A 42 10.167 2.732 -2.313 1.00 10.00 C ATOM 664 C PHE A 42 10.793 1.584 -1.490 1.00 10.00 C ATOM 665 O PHE A 42 10.389 0.426 -1.636 1.00 10.00 O ATOM 666 CB PHE A 42 8.869 2.305 -3.020 1.00 10.00 C ATOM 667 CG PHE A 42 8.101 3.434 -3.682 1.00 10.00 C ATOM 668 CD1 PHE A 42 7.202 4.220 -2.934 1.00 10.00 C ATOM 669 CD2 PHE A 42 8.292 3.705 -5.052 1.00 10.00 C ATOM 670 CE1 PHE A 42 6.509 5.279 -3.550 1.00 10.00 C ATOM 671 CE2 PHE A 42 7.600 4.762 -5.666 1.00 10.00 C ATOM 672 CZ PHE A 42 6.713 5.552 -4.914 1.00 10.00 C ATOM 0 H PHE A 42 11.686 2.533 -3.731 1.00 10.00 H new ATOM 0 HA PHE A 42 9.908 3.520 -1.606 1.00 10.00 H new ATOM 0 HB2 PHE A 42 9.113 1.559 -3.776 1.00 10.00 H new ATOM 0 HB3 PHE A 42 8.218 1.820 -2.292 1.00 10.00 H new ATOM 0 HD1 PHE A 42 7.044 4.010 -1.886 1.00 10.00 H new ATOM 0 HD2 PHE A 42 8.972 3.098 -5.631 1.00 10.00 H new ATOM 0 HE1 PHE A 42 5.821 5.881 -2.975 1.00 10.00 H new ATOM 0 HE2 PHE A 42 7.749 4.968 -6.716 1.00 10.00 H new ATOM 0 HZ PHE A 42 6.188 6.370 -5.385 1.00 10.00 H new ATOM 682 N PRO A 43 11.805 1.862 -0.643 1.00 10.00 N ATOM 683 CA PRO A 43 12.435 0.853 0.201 1.00 10.00 C ATOM 684 C PRO A 43 11.467 0.343 1.273 1.00 10.00 C ATOM 685 O PRO A 43 10.827 1.128 1.976 1.00 10.00 O ATOM 686 CB PRO A 43 13.662 1.527 0.820 1.00 10.00 C ATOM 687 CG PRO A 43 13.262 2.996 0.862 1.00 10.00 C ATOM 688 CD PRO A 43 12.375 3.171 -0.368 1.00 10.00 C ATOM 0 HA PRO A 43 12.723 -0.025 -0.377 1.00 10.00 H new ATOM 0 HB2 PRO A 43 13.876 1.139 1.816 1.00 10.00 H new ATOM 0 HB3 PRO A 43 14.556 1.369 0.217 1.00 10.00 H new ATOM 0 HG2 PRO A 43 12.725 3.238 1.779 1.00 10.00 H new ATOM 0 HG3 PRO A 43 14.134 3.649 0.822 1.00 10.00 H new ATOM 0 HD2 PRO A 43 11.592 3.906 -0.182 1.00 10.00 H new ATOM 0 HD3 PRO A 43 12.954 3.530 -1.218 1.00 10.00 H new ATOM 696 N VAL A 44 11.400 -0.971 1.472 1.00 10.00 N ATOM 697 CA VAL A 44 10.673 -1.619 2.587 1.00 10.00 C ATOM 698 C VAL A 44 11.083 -1.073 3.964 1.00 10.00 C ATOM 699 O VAL A 44 10.248 -0.983 4.865 1.00 10.00 O ATOM 700 CB VAL A 44 10.857 -3.148 2.472 1.00 10.00 C ATOM 701 CG1 VAL A 44 10.616 -3.952 3.755 1.00 10.00 C ATOM 702 CG2 VAL A 44 9.880 -3.662 1.410 1.00 10.00 C ATOM 0 H VAL A 44 11.857 -1.641 0.853 1.00 10.00 H new ATOM 0 HA VAL A 44 9.613 -1.381 2.504 1.00 10.00 H new ATOM 0 HB VAL A 44 11.907 -3.298 2.222 1.00 10.00 H new ATOM 0 HG11 VAL A 44 10.774 -5.012 3.555 1.00 10.00 H new ATOM 0 HG12 VAL A 44 11.310 -3.621 4.528 1.00 10.00 H new ATOM 0 HG13 VAL A 44 9.593 -3.795 4.096 1.00 10.00 H new ATOM 0 HG21 VAL A 44 9.989 -4.742 1.308 1.00 10.00 H new ATOM 0 HG22 VAL A 44 8.859 -3.427 1.711 1.00 10.00 H new ATOM 0 HG23 VAL A 44 10.096 -3.184 0.455 1.00 10.00 H new ATOM 712 N ALA A 45 12.339 -0.641 4.107 1.00 10.00 N ATOM 713 CA ALA A 45 12.888 -0.012 5.308 1.00 10.00 C ATOM 714 C ALA A 45 12.423 1.442 5.572 1.00 10.00 C ATOM 715 O ALA A 45 12.683 1.965 6.659 1.00 10.00 O ATOM 716 CB ALA A 45 14.415 -0.053 5.170 1.00 10.00 C ATOM 0 H ALA A 45 13.027 -0.724 3.359 1.00 10.00 H new ATOM 0 HA ALA A 45 12.517 -0.571 6.167 1.00 10.00 H new ATOM 0 HB1 ALA A 45 14.872 0.407 6.046 1.00 10.00 H new ATOM 0 HB2 ALA A 45 14.745 -1.089 5.090 1.00 10.00 H new ATOM 0 HB3 ALA A 45 14.714 0.493 4.276 1.00 10.00 H new ATOM 722 N GLY A 46 11.774 2.110 4.608 1.00 10.00 N ATOM 723 CA GLY A 46 11.520 3.562 4.660 1.00 10.00 C ATOM 724 C GLY A 46 10.241 4.067 3.980 1.00 10.00 C ATOM 725 O GLY A 46 9.972 5.269 4.040 1.00 10.00 O ATOM 0 H GLY A 46 11.409 1.661 3.768 1.00 10.00 H new ATOM 0 HA2 GLY A 46 11.490 3.864 5.707 1.00 10.00 H new ATOM 0 HA3 GLY A 46 12.370 4.072 4.206 1.00 10.00 H new ATOM 729 N GLN A 47 9.435 3.203 3.349 1.00 10.00 N ATOM 730 CA GLN A 47 8.117 3.608 2.825 1.00 10.00 C ATOM 731 C GLN A 47 7.003 3.562 3.900 1.00 10.00 C ATOM 732 O GLN A 47 7.103 2.840 4.895 1.00 10.00 O ATOM 733 CB GLN A 47 7.766 2.808 1.559 1.00 10.00 C ATOM 734 CG GLN A 47 7.412 1.344 1.839 1.00 10.00 C ATOM 735 CD GLN A 47 7.083 0.583 0.562 1.00 10.00 C ATOM 736 OE1 GLN A 47 6.047 0.775 -0.055 1.00 10.00 O ATOM 737 NE2 GLN A 47 7.925 -0.333 0.139 1.00 10.00 N ATOM 0 H GLN A 47 9.668 2.223 3.188 1.00 10.00 H new ATOM 0 HA GLN A 47 8.186 4.657 2.537 1.00 10.00 H new ATOM 0 HB2 GLN A 47 6.925 3.287 1.058 1.00 10.00 H new ATOM 0 HB3 GLN A 47 8.610 2.844 0.870 1.00 10.00 H new ATOM 0 HG2 GLN A 47 8.247 0.859 2.345 1.00 10.00 H new ATOM 0 HG3 GLN A 47 6.560 1.300 2.517 1.00 10.00 H new ATOM 0 HE21 GLN A 47 8.793 -0.501 0.647 1.00 10.00 H new ATOM 0 HE22 GLN A 47 7.710 -0.876 -0.698 1.00 10.00 H new ATOM 746 N LYS A 48 5.924 4.318 3.666 1.00 10.00 N ATOM 747 CA LYS A 48 4.737 4.501 4.533 1.00 10.00 C ATOM 748 C LYS A 48 3.455 4.535 3.688 1.00 10.00 C ATOM 749 O LYS A 48 3.525 4.817 2.493 1.00 10.00 O ATOM 750 CB LYS A 48 4.860 5.817 5.326 1.00 10.00 C ATOM 751 CG LYS A 48 6.125 5.893 6.194 1.00 10.00 C ATOM 752 CD LYS A 48 6.089 7.133 7.095 1.00 10.00 C ATOM 753 CE LYS A 48 7.358 7.204 7.954 1.00 10.00 C ATOM 754 NZ LYS A 48 7.340 8.383 8.860 1.00 10.00 N ATOM 0 H LYS A 48 5.844 4.860 2.806 1.00 10.00 H new ATOM 0 HA LYS A 48 4.685 3.661 5.226 1.00 10.00 H new ATOM 0 HB2 LYS A 48 4.857 6.654 4.628 1.00 10.00 H new ATOM 0 HB3 LYS A 48 3.984 5.931 5.964 1.00 10.00 H new ATOM 0 HG2 LYS A 48 6.207 4.995 6.806 1.00 10.00 H new ATOM 0 HG3 LYS A 48 7.008 5.926 5.556 1.00 10.00 H new ATOM 0 HD2 LYS A 48 6.004 8.032 6.485 1.00 10.00 H new ATOM 0 HD3 LYS A 48 5.209 7.099 7.737 1.00 10.00 H new ATOM 0 HE2 LYS A 48 7.450 6.292 8.544 1.00 10.00 H new ATOM 0 HE3 LYS A 48 8.234 7.255 7.307 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 8.213 8.400 9.426 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 7.277 9.254 8.295 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 6.518 8.321 9.494 1.00 10.00 H new ATOM 768 N LEU A 49 2.290 4.268 4.282 1.00 10.00 N ATOM 769 CA LEU A 49 1.001 4.189 3.573 1.00 10.00 C ATOM 770 C LEU A 49 -0.161 4.823 4.375 1.00 10.00 C ATOM 771 O LEU A 49 -0.217 4.743 5.605 1.00 10.00 O ATOM 772 CB LEU A 49 0.658 2.720 3.231 1.00 10.00 C ATOM 773 CG LEU A 49 1.526 2.077 2.131 1.00 10.00 C ATOM 774 CD1 LEU A 49 2.757 1.343 2.673 1.00 10.00 C ATOM 775 CD2 LEU A 49 0.725 1.033 1.349 1.00 10.00 C ATOM 0 H LEU A 49 2.209 4.097 5.284 1.00 10.00 H new ATOM 0 HA LEU A 49 1.116 4.763 2.654 1.00 10.00 H new ATOM 0 HB2 LEU A 49 0.750 2.123 4.138 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -0.386 2.671 2.921 1.00 10.00 H new ATOM 0 HG LEU A 49 1.844 2.912 1.507 1.00 10.00 H new ATOM 0 HD11 LEU A 49 3.320 0.916 1.843 1.00 10.00 H new ATOM 0 HD12 LEU A 49 3.389 2.045 3.217 1.00 10.00 H new ATOM 0 HD13 LEU A 49 2.439 0.545 3.344 1.00 10.00 H new ATOM 0 HD21 LEU A 49 1.357 0.592 0.578 1.00 10.00 H new ATOM 0 HD22 LEU A 49 0.384 0.252 2.029 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -0.137 1.510 0.883 1.00 10.00 H new ATOM 787 N ILE A 50 -1.124 5.394 3.649 1.00 10.00 N ATOM 788 CA ILE A 50 -2.316 6.119 4.135 1.00 10.00 C ATOM 789 C ILE A 50 -3.565 5.616 3.399 1.00 10.00 C ATOM 790 O ILE A 50 -3.521 5.389 2.191 1.00 10.00 O ATOM 791 CB ILE A 50 -2.114 7.642 3.891 1.00 10.00 C ATOM 792 CG1 ILE A 50 -1.215 8.296 4.961 1.00 10.00 C ATOM 793 CG2 ILE A 50 -3.423 8.449 3.747 1.00 10.00 C ATOM 794 CD1 ILE A 50 -1.886 8.548 6.319 1.00 10.00 C ATOM 0 H ILE A 50 -1.096 5.364 2.630 1.00 10.00 H new ATOM 0 HA ILE A 50 -2.452 5.942 5.202 1.00 10.00 H new ATOM 0 HB ILE A 50 -1.610 7.684 2.925 1.00 10.00 H new ATOM 0 HG12 ILE A 50 -0.344 7.660 5.118 1.00 10.00 H new ATOM 0 HG13 ILE A 50 -0.850 9.247 4.573 1.00 10.00 H new ATOM 0 HG21 ILE A 50 -3.186 9.500 3.580 1.00 10.00 H new ATOM 0 HG22 ILE A 50 -3.995 8.067 2.901 1.00 10.00 H new ATOM 0 HG23 ILE A 50 -4.013 8.351 4.658 1.00 10.00 H new ATOM 0 HD11 ILE A 50 -1.170 9.010 6.999 1.00 10.00 H new ATOM 0 HD12 ILE A 50 -2.740 9.212 6.185 1.00 10.00 H new ATOM 0 HD13 ILE A 50 -2.226 7.601 6.738 1.00 10.00 H new ATOM 806 N TYR A 51 -4.702 5.535 4.091 1.00 10.00 N ATOM 807 CA TYR A 51 -6.021 5.256 3.516 1.00 10.00 C ATOM 808 C TYR A 51 -7.017 6.352 3.928 1.00 10.00 C ATOM 809 O TYR A 51 -7.565 6.340 5.032 1.00 10.00 O ATOM 810 CB TYR A 51 -6.474 3.838 3.900 1.00 10.00 C ATOM 811 CG TYR A 51 -7.796 3.389 3.295 1.00 10.00 C ATOM 812 CD1 TYR A 51 -7.991 3.425 1.899 1.00 10.00 C ATOM 813 CD2 TYR A 51 -8.824 2.895 4.125 1.00 10.00 C ATOM 814 CE1 TYR A 51 -9.208 2.992 1.336 1.00 10.00 C ATOM 815 CE2 TYR A 51 -10.040 2.451 3.565 1.00 10.00 C ATOM 816 CZ TYR A 51 -10.239 2.507 2.168 1.00 10.00 C ATOM 817 OH TYR A 51 -11.412 2.079 1.620 1.00 10.00 O ATOM 0 H TYR A 51 -4.732 5.666 5.102 1.00 10.00 H new ATOM 0 HA TYR A 51 -5.970 5.279 2.427 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -5.699 3.133 3.600 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -6.553 3.782 4.986 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -7.202 3.787 1.257 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -8.679 2.857 5.195 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -9.352 3.031 0.266 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -10.820 2.068 4.206 1.00 10.00 H new ATOM 0 HH TYR A 51 -12.014 1.776 2.331 1.00 10.00 H new ATOM 827 N ALA A 52 -7.187 7.337 3.040 1.00 10.00 N ATOM 828 CA ALA A 52 -8.160 8.442 3.097 1.00 10.00 C ATOM 829 C ALA A 52 -8.142 9.346 4.360 1.00 10.00 C ATOM 830 O ALA A 52 -9.069 10.139 4.560 1.00 10.00 O ATOM 831 CB ALA A 52 -9.550 7.867 2.775 1.00 10.00 C ATOM 0 H ALA A 52 -6.609 7.390 2.201 1.00 10.00 H new ATOM 0 HA ALA A 52 -7.851 9.165 2.342 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -10.291 8.665 2.810 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -9.539 7.426 1.778 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.806 7.102 3.508 1.00 10.00 H new ATOM 837 N GLY A 53 -7.108 9.256 5.209 1.00 10.00 N ATOM 838 CA GLY A 53 -6.954 10.060 6.435 1.00 10.00 C ATOM 839 C GLY A 53 -6.415 9.283 7.644 1.00 10.00 C ATOM 840 O GLY A 53 -6.180 9.876 8.700 1.00 10.00 O ATOM 0 H GLY A 53 -6.335 8.607 5.060 1.00 10.00 H new ATOM 0 HA2 GLY A 53 -6.282 10.893 6.226 1.00 10.00 H new ATOM 0 HA3 GLY A 53 -7.921 10.489 6.697 1.00 10.00 H new ATOM 844 N LYS A 54 -6.212 7.966 7.500 1.00 10.00 N ATOM 845 CA LYS A 54 -5.791 7.021 8.539 1.00 10.00 C ATOM 846 C LYS A 54 -4.544 6.265 8.068 1.00 10.00 C ATOM 847 O LYS A 54 -4.385 6.020 6.871 1.00 10.00 O ATOM 848 CB LYS A 54 -7.006 6.110 8.798 1.00 10.00 C ATOM 849 CG LYS A 54 -6.708 4.955 9.757 1.00 10.00 C ATOM 850 CD LYS A 54 -7.952 4.112 10.097 1.00 10.00 C ATOM 851 CE LYS A 54 -9.068 4.867 10.838 1.00 10.00 C ATOM 852 NZ LYS A 54 -8.665 5.284 12.208 1.00 10.00 N ATOM 0 H LYS A 54 -6.346 7.506 6.600 1.00 10.00 H new ATOM 0 HA LYS A 54 -5.503 7.505 9.472 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -7.820 6.710 9.206 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -7.354 5.703 7.849 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -5.950 4.310 9.314 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -6.286 5.356 10.678 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -8.361 3.707 9.172 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -7.641 3.264 10.707 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -9.349 5.749 10.262 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -9.952 4.232 10.901 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -9.453 5.788 12.663 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -8.422 4.443 12.769 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -7.839 5.913 12.150 1.00 10.00 H new ATOM 866 N ILE A 55 -3.666 5.883 8.995 1.00 10.00 N ATOM 867 CA ILE A 55 -2.361 5.272 8.688 1.00 10.00 C ATOM 868 C ILE A 55 -2.522 3.747 8.682 1.00 10.00 C ATOM 869 O ILE A 55 -3.033 3.162 9.639 1.00 10.00 O ATOM 870 CB ILE A 55 -1.296 5.715 9.724 1.00 10.00 C ATOM 871 CG1 ILE A 55 -1.088 7.248 9.684 1.00 10.00 C ATOM 872 CG2 ILE A 55 0.046 5.000 9.470 1.00 10.00 C ATOM 873 CD1 ILE A 55 -0.295 7.804 10.875 1.00 10.00 C ATOM 0 H ILE A 55 -3.838 5.988 9.995 1.00 10.00 H new ATOM 0 HA ILE A 55 -2.019 5.602 7.707 1.00 10.00 H new ATOM 0 HB ILE A 55 -1.662 5.438 10.713 1.00 10.00 H new ATOM 0 HG12 ILE A 55 -0.569 7.510 8.762 1.00 10.00 H new ATOM 0 HG13 ILE A 55 -2.062 7.735 9.651 1.00 10.00 H new ATOM 0 HG21 ILE A 55 0.778 5.327 10.209 1.00 10.00 H new ATOM 0 HG22 ILE A 55 -0.095 3.922 9.551 1.00 10.00 H new ATOM 0 HG23 ILE A 55 0.405 5.245 8.471 1.00 10.00 H new ATOM 0 HD11 ILE A 55 -0.193 8.884 10.772 1.00 10.00 H new ATOM 0 HD12 ILE A 55 -0.822 7.576 11.801 1.00 10.00 H new ATOM 0 HD13 ILE A 55 0.694 7.347 10.899 1.00 10.00 H new ATOM 885 N LEU A 56 -2.083 3.108 7.596 1.00 10.00 N ATOM 886 CA LEU A 56 -2.085 1.652 7.449 1.00 10.00 C ATOM 887 C LEU A 56 -0.922 1.037 8.256 1.00 10.00 C ATOM 888 O LEU A 56 0.231 1.059 7.823 1.00 10.00 O ATOM 889 CB LEU A 56 -2.033 1.289 5.951 1.00 10.00 C ATOM 890 CG LEU A 56 -3.258 1.703 5.114 1.00 10.00 C ATOM 891 CD1 LEU A 56 -3.138 1.108 3.710 1.00 10.00 C ATOM 892 CD2 LEU A 56 -4.574 1.200 5.713 1.00 10.00 C ATOM 0 H LEU A 56 -1.710 3.596 6.781 1.00 10.00 H new ATOM 0 HA LEU A 56 -3.005 1.231 7.855 1.00 10.00 H new ATOM 0 HB2 LEU A 56 -1.147 1.751 5.516 1.00 10.00 H new ATOM 0 HB3 LEU A 56 -1.905 0.210 5.863 1.00 10.00 H new ATOM 0 HG LEU A 56 -3.274 2.793 5.095 1.00 10.00 H new ATOM 0 HD11 LEU A 56 -4.004 1.400 3.116 1.00 10.00 H new ATOM 0 HD12 LEU A 56 -2.230 1.479 3.234 1.00 10.00 H new ATOM 0 HD13 LEU A 56 -3.094 0.021 3.778 1.00 10.00 H new ATOM 0 HD21 LEU A 56 -5.405 1.519 5.084 1.00 10.00 H new ATOM 0 HD22 LEU A 56 -4.557 0.111 5.767 1.00 10.00 H new ATOM 0 HD23 LEU A 56 -4.698 1.611 6.715 1.00 10.00 H new ATOM 904 N ASN A 57 -1.223 0.525 9.455 1.00 10.00 N ATOM 905 CA ASN A 57 -0.237 -0.012 10.398 1.00 10.00 C ATOM 906 C ASN A 57 0.432 -1.305 9.898 1.00 10.00 C ATOM 907 O ASN A 57 -0.245 -2.272 9.544 1.00 10.00 O ATOM 908 CB ASN A 57 -0.933 -0.275 11.741 1.00 10.00 C ATOM 909 CG ASN A 57 0.061 -0.687 12.816 1.00 10.00 C ATOM 910 OD1 ASN A 57 1.086 -0.054 13.024 1.00 10.00 O ATOM 911 ND2 ASN A 57 -0.177 -1.778 13.504 1.00 10.00 N ATOM 0 H ASN A 57 -2.180 0.472 9.804 1.00 10.00 H new ATOM 0 HA ASN A 57 0.556 0.728 10.505 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -1.462 0.623 12.059 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -1.681 -1.058 11.617 1.00 10.00 H new ATOM 0 HD21 ASN A 57 0.491 -2.093 14.207 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -1.030 -2.311 13.336 1.00 10.00 H new ATOM 918 N ASP A 58 1.763 -1.359 9.947 1.00 10.00 N ATOM 919 CA ASP A 58 2.563 -2.452 9.376 1.00 10.00 C ATOM 920 C ASP A 58 2.489 -3.800 10.133 1.00 10.00 C ATOM 921 O ASP A 58 3.089 -4.785 9.704 1.00 10.00 O ATOM 922 CB ASP A 58 4.012 -1.972 9.225 1.00 10.00 C ATOM 923 CG ASP A 58 4.753 -2.740 8.127 1.00 10.00 C ATOM 924 OD1 ASP A 58 4.310 -2.697 6.955 1.00 10.00 O ATOM 925 OD2 ASP A 58 5.836 -3.308 8.397 1.00 10.00 O ATOM 0 H ASP A 58 2.328 -0.635 10.391 1.00 10.00 H new ATOM 0 HA ASP A 58 2.124 -2.683 8.406 1.00 10.00 H new ATOM 0 HB2 ASP A 58 4.020 -0.907 8.993 1.00 10.00 H new ATOM 0 HB3 ASP A 58 4.537 -2.095 10.172 1.00 10.00 H new ATOM 930 N ASP A 59 1.736 -3.864 11.235 1.00 10.00 N ATOM 931 CA ASP A 59 1.547 -5.052 12.083 1.00 10.00 C ATOM 932 C ASP A 59 0.054 -5.430 12.243 1.00 10.00 C ATOM 933 O ASP A 59 -0.318 -6.186 13.143 1.00 10.00 O ATOM 934 CB ASP A 59 2.263 -4.804 13.424 1.00 10.00 C ATOM 935 CG ASP A 59 2.418 -6.076 14.282 1.00 10.00 C ATOM 936 OD1 ASP A 59 2.915 -7.105 13.766 1.00 10.00 O ATOM 937 OD2 ASP A 59 2.097 -6.033 15.495 1.00 10.00 O ATOM 0 H ASP A 59 1.217 -3.056 11.578 1.00 10.00 H new ATOM 0 HA ASP A 59 1.993 -5.923 11.604 1.00 10.00 H new ATOM 0 HB2 ASP A 59 3.250 -4.385 13.228 1.00 10.00 H new ATOM 0 HB3 ASP A 59 1.707 -4.058 13.991 1.00 10.00 H new ATOM 942 N THR A 60 -0.811 -4.917 11.359 1.00 10.00 N ATOM 943 CA THR A 60 -2.272 -5.121 11.371 1.00 10.00 C ATOM 944 C THR A 60 -2.758 -5.597 10.000 1.00 10.00 C ATOM 945 O THR A 60 -2.328 -5.086 8.962 1.00 10.00 O ATOM 946 CB THR A 60 -2.983 -3.813 11.756 1.00 10.00 C ATOM 947 OG1 THR A 60 -2.543 -3.357 13.020 1.00 10.00 O ATOM 948 CG2 THR A 60 -4.503 -3.935 11.839 1.00 10.00 C ATOM 0 H THR A 60 -0.505 -4.326 10.586 1.00 10.00 H new ATOM 0 HA THR A 60 -2.510 -5.887 12.109 1.00 10.00 H new ATOM 0 HB THR A 60 -2.729 -3.117 10.957 1.00 10.00 H new ATOM 0 HG1 THR A 60 -2.907 -2.463 13.190 1.00 10.00 H new ATOM 0 HG21 THR A 60 -4.931 -2.971 12.115 1.00 10.00 H new ATOM 0 HG22 THR A 60 -4.897 -4.242 10.870 1.00 10.00 H new ATOM 0 HG23 THR A 60 -4.768 -4.679 12.591 1.00 10.00 H new ATOM 956 N ALA A 61 -3.641 -6.600 9.989 1.00 10.00 N ATOM 957 CA ALA A 61 -4.218 -7.182 8.777 1.00 10.00 C ATOM 958 C ALA A 61 -5.120 -6.197 8.010 1.00 10.00 C ATOM 959 O ALA A 61 -5.868 -5.417 8.602 1.00 10.00 O ATOM 960 CB ALA A 61 -4.963 -8.459 9.158 1.00 10.00 C ATOM 0 H ALA A 61 -3.982 -7.039 10.844 1.00 10.00 H new ATOM 0 HA ALA A 61 -3.409 -7.421 8.086 1.00 10.00 H new ATOM 0 HB1 ALA A 61 -5.400 -8.906 8.265 1.00 10.00 H new ATOM 0 HB2 ALA A 61 -4.267 -9.164 9.613 1.00 10.00 H new ATOM 0 HB3 ALA A 61 -5.755 -8.220 9.868 1.00 10.00 H new ATOM 966 N LEU A 62 -5.072 -6.245 6.677 1.00 10.00 N ATOM 967 CA LEU A 62 -5.688 -5.240 5.800 1.00 10.00 C ATOM 968 C LEU A 62 -7.217 -5.131 5.925 1.00 10.00 C ATOM 969 O LEU A 62 -7.759 -4.029 5.819 1.00 10.00 O ATOM 970 CB LEU A 62 -5.249 -5.517 4.351 1.00 10.00 C ATOM 971 CG LEU A 62 -3.759 -5.206 4.118 1.00 10.00 C ATOM 972 CD1 LEU A 62 -3.311 -5.736 2.761 1.00 10.00 C ATOM 973 CD2 LEU A 62 -3.506 -3.697 4.145 1.00 10.00 C ATOM 0 H LEU A 62 -4.599 -6.991 6.167 1.00 10.00 H new ATOM 0 HA LEU A 62 -5.331 -4.263 6.124 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -5.441 -6.563 4.110 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -5.853 -4.917 3.670 1.00 10.00 H new ATOM 0 HG LEU A 62 -3.196 -5.689 4.917 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -2.256 -5.508 2.612 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -3.458 -6.816 2.726 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -3.899 -5.264 1.974 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -2.447 -3.503 3.978 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -4.091 -3.216 3.361 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -3.800 -3.296 5.115 1.00 10.00 H new ATOM 985 N LYS A 63 -7.926 -6.229 6.217 1.00 10.00 N ATOM 986 CA LYS A 63 -9.386 -6.208 6.431 1.00 10.00 C ATOM 987 C LYS A 63 -9.865 -5.394 7.645 1.00 10.00 C ATOM 988 O LYS A 63 -11.003 -4.930 7.633 1.00 10.00 O ATOM 989 CB LYS A 63 -9.979 -7.628 6.387 1.00 10.00 C ATOM 990 CG LYS A 63 -9.899 -8.480 7.666 1.00 10.00 C ATOM 991 CD LYS A 63 -8.480 -8.657 8.224 1.00 10.00 C ATOM 992 CE LYS A 63 -8.383 -9.829 9.216 1.00 10.00 C ATOM 993 NZ LYS A 63 -9.202 -9.614 10.434 1.00 10.00 N ATOM 0 H LYS A 63 -7.510 -7.155 6.312 1.00 10.00 H new ATOM 0 HA LYS A 63 -9.788 -5.649 5.586 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -11.029 -7.544 6.106 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -9.478 -8.175 5.588 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -10.523 -8.021 8.433 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -10.320 -9.464 7.459 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -7.786 -8.824 7.400 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -8.170 -7.737 8.721 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -8.706 -10.746 8.723 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -7.341 -9.972 9.503 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -9.423 -10.532 10.870 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -8.672 -9.028 11.110 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -10.086 -9.131 10.177 1.00 10.00 H new ATOM 1007 N GLU A 64 -9.011 -5.124 8.641 1.00 10.00 N ATOM 1008 CA GLU A 64 -9.333 -4.179 9.734 1.00 10.00 C ATOM 1009 C GLU A 64 -9.460 -2.725 9.241 1.00 10.00 C ATOM 1010 O GLU A 64 -10.144 -1.916 9.869 1.00 10.00 O ATOM 1011 CB GLU A 64 -8.287 -4.255 10.865 1.00 10.00 C ATOM 1012 CG GLU A 64 -8.717 -5.142 12.040 1.00 10.00 C ATOM 1013 CD GLU A 64 -8.934 -6.605 11.629 1.00 10.00 C ATOM 1014 OE1 GLU A 64 -7.964 -7.397 11.614 1.00 10.00 O ATOM 1015 OE2 GLU A 64 -10.083 -7.002 11.328 1.00 10.00 O ATOM 0 H GLU A 64 -8.086 -5.546 8.718 1.00 10.00 H new ATOM 0 HA GLU A 64 -10.304 -4.485 10.122 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -7.350 -4.635 10.457 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -8.089 -3.249 11.234 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -7.958 -5.097 12.821 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -9.639 -4.749 12.469 1.00 10.00 H new ATOM 1022 N TYR A 65 -8.854 -2.404 8.091 1.00 10.00 N ATOM 1023 CA TYR A 65 -8.961 -1.095 7.430 1.00 10.00 C ATOM 1024 C TYR A 65 -10.102 -1.024 6.396 1.00 10.00 C ATOM 1025 O TYR A 65 -10.336 0.041 5.823 1.00 10.00 O ATOM 1026 CB TYR A 65 -7.598 -0.716 6.828 1.00 10.00 C ATOM 1027 CG TYR A 65 -6.551 -0.473 7.898 1.00 10.00 C ATOM 1028 CD1 TYR A 65 -6.591 0.724 8.640 1.00 10.00 C ATOM 1029 CD2 TYR A 65 -5.581 -1.452 8.199 1.00 10.00 C ATOM 1030 CE1 TYR A 65 -5.701 0.923 9.708 1.00 10.00 C ATOM 1031 CE2 TYR A 65 -4.687 -1.255 9.265 1.00 10.00 C ATOM 1032 CZ TYR A 65 -4.773 -0.081 10.044 1.00 10.00 C ATOM 1033 OH TYR A 65 -3.993 0.082 11.142 1.00 10.00 O ATOM 0 H TYR A 65 -8.262 -3.061 7.582 1.00 10.00 H new ATOM 0 HA TYR A 65 -9.231 -0.358 8.186 1.00 10.00 H new ATOM 0 HB2 TYR A 65 -7.261 -1.513 6.165 1.00 10.00 H new ATOM 0 HB3 TYR A 65 -7.708 0.181 6.218 1.00 10.00 H new ATOM 0 HD1 TYR A 65 -7.308 1.491 8.387 1.00 10.00 H new ATOM 0 HD2 TYR A 65 -5.525 -2.355 7.609 1.00 10.00 H new ATOM 0 HE1 TYR A 65 -5.728 1.845 10.271 1.00 10.00 H new ATOM 0 HE2 TYR A 65 -3.937 -1.999 9.488 1.00 10.00 H new ATOM 0 HH TYR A 65 -4.039 -0.724 11.698 1.00 10.00 H new ATOM 1043 N LYS A 66 -10.837 -2.131 6.184 1.00 10.00 N ATOM 1044 CA LYS A 66 -11.991 -2.271 5.267 1.00 10.00 C ATOM 1045 C LYS A 66 -11.757 -1.633 3.886 1.00 10.00 C ATOM 1046 O LYS A 66 -12.612 -0.919 3.354 1.00 10.00 O ATOM 1047 CB LYS A 66 -13.278 -1.786 5.966 1.00 10.00 C ATOM 1048 CG LYS A 66 -13.595 -2.584 7.243 1.00 10.00 C ATOM 1049 CD LYS A 66 -14.926 -2.138 7.860 1.00 10.00 C ATOM 1050 CE LYS A 66 -15.215 -2.955 9.125 1.00 10.00 C ATOM 1051 NZ LYS A 66 -16.506 -2.559 9.750 1.00 10.00 N ATOM 0 H LYS A 66 -10.633 -3.002 6.674 1.00 10.00 H new ATOM 0 HA LYS A 66 -12.116 -3.330 5.042 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -13.174 -0.731 6.218 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -14.116 -1.868 5.274 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -13.638 -3.648 7.009 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -12.792 -2.449 7.968 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -14.886 -1.076 8.104 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -15.733 -2.270 7.139 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -15.241 -4.016 8.876 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -14.405 -2.816 9.842 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -16.669 -3.132 10.603 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -16.471 -1.553 10.010 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -17.281 -2.715 9.074 1.00 10.00 H new ATOM 1065 N ILE A 67 -10.559 -1.854 3.334 1.00 10.00 N ATOM 1066 CA ILE A 67 -10.117 -1.298 2.044 1.00 10.00 C ATOM 1067 C ILE A 67 -10.995 -1.834 0.892 1.00 10.00 C ATOM 1068 O ILE A 67 -11.574 -2.919 0.986 1.00 10.00 O ATOM 1069 CB ILE A 67 -8.600 -1.531 1.845 1.00 10.00 C ATOM 1070 CG1 ILE A 67 -7.826 -0.957 3.059 1.00 10.00 C ATOM 1071 CG2 ILE A 67 -8.099 -0.881 0.538 1.00 10.00 C ATOM 1072 CD1 ILE A 67 -6.302 -1.057 2.960 1.00 10.00 C ATOM 0 H ILE A 67 -9.851 -2.438 3.780 1.00 10.00 H new ATOM 0 HA ILE A 67 -10.255 -0.217 2.042 1.00 10.00 H new ATOM 0 HB ILE A 67 -8.422 -2.604 1.771 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -8.099 0.091 3.182 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -8.152 -1.479 3.959 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -7.030 -1.063 0.428 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -8.630 -1.313 -0.310 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -8.283 0.193 0.572 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.850 -0.630 3.855 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -6.011 -2.104 2.871 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -5.958 -0.509 2.083 1.00 10.00 H new ATOM 1084 N ASP A 68 -11.115 -1.069 -0.197 1.00 10.00 N ATOM 1085 CA ASP A 68 -12.043 -1.315 -1.310 1.00 10.00 C ATOM 1086 C ASP A 68 -11.355 -1.159 -2.686 1.00 10.00 C ATOM 1087 O ASP A 68 -10.398 -0.398 -2.838 1.00 10.00 O ATOM 1088 CB ASP A 68 -13.226 -0.354 -1.129 1.00 10.00 C ATOM 1089 CG ASP A 68 -14.324 -0.564 -2.171 1.00 10.00 C ATOM 1090 OD1 ASP A 68 -14.140 -0.130 -3.327 1.00 10.00 O ATOM 1091 OD2 ASP A 68 -15.383 -1.154 -1.861 1.00 10.00 O ATOM 0 H ASP A 68 -10.550 -0.231 -0.335 1.00 10.00 H new ATOM 0 HA ASP A 68 -12.395 -2.346 -1.293 1.00 10.00 H new ATOM 0 HB2 ASP A 68 -13.647 -0.487 -0.132 1.00 10.00 H new ATOM 0 HB3 ASP A 68 -12.866 0.673 -1.189 1.00 10.00 H new ATOM 1096 N GLU A 69 -11.851 -1.881 -3.699 1.00 10.00 N ATOM 1097 CA GLU A 69 -11.252 -1.989 -5.044 1.00 10.00 C ATOM 1098 C GLU A 69 -11.355 -0.705 -5.893 1.00 10.00 C ATOM 1099 O GLU A 69 -10.642 -0.561 -6.895 1.00 10.00 O ATOM 1100 CB GLU A 69 -11.926 -3.139 -5.814 1.00 10.00 C ATOM 1101 CG GLU A 69 -11.862 -4.495 -5.094 1.00 10.00 C ATOM 1102 CD GLU A 69 -12.499 -5.600 -5.956 1.00 10.00 C ATOM 1103 OE1 GLU A 69 -11.783 -6.208 -6.786 1.00 10.00 O ATOM 1104 OE2 GLU A 69 -13.716 -5.869 -5.807 1.00 10.00 O ATOM 0 H GLU A 69 -12.708 -2.426 -3.606 1.00 10.00 H new ATOM 0 HA GLU A 69 -10.190 -2.174 -4.881 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -12.970 -2.882 -5.990 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -11.452 -3.235 -6.791 1.00 10.00 H new ATOM 0 HG2 GLU A 69 -10.824 -4.749 -4.878 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -12.380 -4.429 -4.137 1.00 10.00 H new ATOM 1111 N LYS A 70 -12.233 0.227 -5.501 1.00 10.00 N ATOM 1112 CA LYS A 70 -12.485 1.518 -6.175 1.00 10.00 C ATOM 1113 C LYS A 70 -12.498 2.720 -5.213 1.00 10.00 C ATOM 1114 O LYS A 70 -12.894 3.824 -5.592 1.00 10.00 O ATOM 1115 CB LYS A 70 -13.685 1.416 -7.143 1.00 10.00 C ATOM 1116 CG LYS A 70 -14.991 0.828 -6.585 1.00 10.00 C ATOM 1117 CD LYS A 70 -15.633 1.695 -5.493 1.00 10.00 C ATOM 1118 CE LYS A 70 -16.931 1.089 -4.936 1.00 10.00 C ATOM 1119 NZ LYS A 70 -16.732 -0.269 -4.371 1.00 10.00 N ATOM 0 H LYS A 70 -12.814 0.102 -4.672 1.00 10.00 H new ATOM 0 HA LYS A 70 -11.627 1.740 -6.809 1.00 10.00 H new ATOM 0 HB2 LYS A 70 -13.899 2.415 -7.521 1.00 10.00 H new ATOM 0 HB3 LYS A 70 -13.380 0.811 -7.997 1.00 10.00 H new ATOM 0 HG2 LYS A 70 -15.701 0.701 -7.402 1.00 10.00 H new ATOM 0 HG3 LYS A 70 -14.790 -0.164 -6.180 1.00 10.00 H new ATOM 0 HD2 LYS A 70 -14.922 1.830 -4.678 1.00 10.00 H new ATOM 0 HD3 LYS A 70 -15.844 2.684 -5.899 1.00 10.00 H new ATOM 0 HE2 LYS A 70 -17.331 1.745 -4.163 1.00 10.00 H new ATOM 0 HE3 LYS A 70 -17.676 1.042 -5.731 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 -17.250 -0.351 -3.473 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 -17.087 -0.980 -5.042 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 -15.719 -0.429 -4.201 1.00 10.00 H new ATOM 1133 N ASN A 71 -11.956 2.517 -4.010 1.00 10.00 N ATOM 1134 CA ASN A 71 -11.308 3.574 -3.223 1.00 10.00 C ATOM 1135 C ASN A 71 -9.781 3.449 -3.424 1.00 10.00 C ATOM 1136 O ASN A 71 -9.314 2.501 -4.063 1.00 10.00 O ATOM 1137 CB ASN A 71 -11.677 3.420 -1.734 1.00 10.00 C ATOM 1138 CG ASN A 71 -13.149 3.625 -1.407 1.00 10.00 C ATOM 1139 OD1 ASN A 71 -13.949 4.128 -2.187 1.00 10.00 O ATOM 1140 ND2 ASN A 71 -13.548 3.258 -0.212 1.00 10.00 N ATOM 0 H ASN A 71 -11.953 1.607 -3.549 1.00 10.00 H new ATOM 0 HA ASN A 71 -11.644 4.558 -3.551 1.00 10.00 H new ATOM 0 HB2 ASN A 71 -11.383 2.423 -1.405 1.00 10.00 H new ATOM 0 HB3 ASN A 71 -11.090 4.133 -1.155 1.00 10.00 H new ATOM 0 HD21 ASN A 71 -14.521 3.392 0.064 1.00 10.00 H new ATOM 0 HD22 ASN A 71 -12.885 2.839 0.441 1.00 10.00 H new ATOM 1147 N PHE A 72 -8.989 4.380 -2.884 1.00 10.00 N ATOM 1148 CA PHE A 72 -7.530 4.354 -3.037 1.00 10.00 C ATOM 1149 C PHE A 72 -6.750 4.683 -1.757 1.00 10.00 C ATOM 1150 O PHE A 72 -7.247 5.288 -0.805 1.00 10.00 O ATOM 1151 CB PHE A 72 -7.093 5.218 -4.234 1.00 10.00 C ATOM 1152 CG PHE A 72 -7.473 6.686 -4.195 1.00 10.00 C ATOM 1153 CD1 PHE A 72 -6.811 7.577 -3.328 1.00 10.00 C ATOM 1154 CD2 PHE A 72 -8.453 7.175 -5.080 1.00 10.00 C ATOM 1155 CE1 PHE A 72 -7.145 8.943 -3.331 1.00 10.00 C ATOM 1156 CE2 PHE A 72 -8.771 8.544 -5.097 1.00 10.00 C ATOM 1157 CZ PHE A 72 -8.126 9.429 -4.214 1.00 10.00 C ATOM 0 H PHE A 72 -9.336 5.166 -2.334 1.00 10.00 H new ATOM 0 HA PHE A 72 -7.266 3.318 -3.247 1.00 10.00 H new ATOM 0 HB2 PHE A 72 -6.009 5.150 -4.323 1.00 10.00 H new ATOM 0 HB3 PHE A 72 -7.515 4.782 -5.139 1.00 10.00 H new ATOM 0 HD1 PHE A 72 -6.046 7.211 -2.660 1.00 10.00 H new ATOM 0 HD2 PHE A 72 -8.962 6.496 -5.748 1.00 10.00 H new ATOM 0 HE1 PHE A 72 -6.647 9.621 -2.653 1.00 10.00 H new ATOM 0 HE2 PHE A 72 -9.512 8.917 -5.789 1.00 10.00 H new ATOM 0 HZ PHE A 72 -8.383 10.478 -4.214 1.00 10.00 H new ATOM 1167 N VAL A 73 -5.490 4.260 -1.789 1.00 10.00 N ATOM 1168 CA VAL A 73 -4.452 4.318 -0.757 1.00 10.00 C ATOM 1169 C VAL A 73 -3.319 5.193 -1.304 1.00 10.00 C ATOM 1170 O VAL A 73 -3.097 5.237 -2.513 1.00 10.00 O ATOM 1171 CB VAL A 73 -3.977 2.873 -0.469 1.00 10.00 C ATOM 1172 CG1 VAL A 73 -2.660 2.740 0.304 1.00 10.00 C ATOM 1173 CG2 VAL A 73 -5.044 2.096 0.310 1.00 10.00 C ATOM 0 H VAL A 73 -5.128 3.818 -2.634 1.00 10.00 H new ATOM 0 HA VAL A 73 -4.812 4.747 0.178 1.00 10.00 H new ATOM 0 HB VAL A 73 -3.804 2.464 -1.464 1.00 10.00 H new ATOM 0 HG11 VAL A 73 -2.427 1.685 0.447 1.00 10.00 H new ATOM 0 HG12 VAL A 73 -1.857 3.215 -0.260 1.00 10.00 H new ATOM 0 HG13 VAL A 73 -2.758 3.225 1.275 1.00 10.00 H new ATOM 0 HG21 VAL A 73 -4.689 1.083 0.502 1.00 10.00 H new ATOM 0 HG22 VAL A 73 -5.240 2.597 1.258 1.00 10.00 H new ATOM 0 HG23 VAL A 73 -5.963 2.054 -0.275 1.00 10.00 H new ATOM 1183 N VAL A 74 -2.584 5.890 -0.439 1.00 10.00 N ATOM 1184 CA VAL A 74 -1.491 6.801 -0.819 1.00 10.00 C ATOM 1185 C VAL A 74 -0.198 6.328 -0.162 1.00 10.00 C ATOM 1186 O VAL A 74 -0.149 6.159 1.056 1.00 10.00 O ATOM 1187 CB VAL A 74 -1.805 8.260 -0.424 1.00 10.00 C ATOM 1188 CG1 VAL A 74 -0.744 9.217 -0.985 1.00 10.00 C ATOM 1189 CG2 VAL A 74 -3.176 8.729 -0.934 1.00 10.00 C ATOM 0 H VAL A 74 -2.730 5.840 0.569 1.00 10.00 H new ATOM 0 HA VAL A 74 -1.379 6.782 -1.903 1.00 10.00 H new ATOM 0 HB VAL A 74 -1.807 8.279 0.666 1.00 10.00 H new ATOM 0 HG11 VAL A 74 -0.986 10.239 -0.694 1.00 10.00 H new ATOM 0 HG12 VAL A 74 0.235 8.949 -0.587 1.00 10.00 H new ATOM 0 HG13 VAL A 74 -0.726 9.144 -2.072 1.00 10.00 H new ATOM 0 HG21 VAL A 74 -3.345 9.761 -0.628 1.00 10.00 H new ATOM 0 HG22 VAL A 74 -3.201 8.665 -2.022 1.00 10.00 H new ATOM 0 HG23 VAL A 74 -3.957 8.094 -0.515 1.00 10.00 H new ATOM 1199 N VAL A 75 0.847 6.109 -0.959 1.00 10.00 N ATOM 1200 CA VAL A 75 2.172 5.666 -0.492 1.00 10.00 C ATOM 1201 C VAL A 75 3.111 6.874 -0.414 1.00 10.00 C ATOM 1202 O VAL A 75 3.111 7.736 -1.296 1.00 10.00 O ATOM 1203 CB VAL A 75 2.767 4.586 -1.420 1.00 10.00 C ATOM 1204 CG1 VAL A 75 4.004 3.916 -0.808 1.00 10.00 C ATOM 1205 CG2 VAL A 75 1.762 3.479 -1.781 1.00 10.00 C ATOM 0 H VAL A 75 0.801 6.236 -1.970 1.00 10.00 H new ATOM 0 HA VAL A 75 2.059 5.222 0.497 1.00 10.00 H new ATOM 0 HB VAL A 75 3.042 5.126 -2.326 1.00 10.00 H new ATOM 0 HG11 VAL A 75 4.388 3.163 -1.496 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.772 4.667 -0.626 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.732 3.441 0.134 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.242 2.751 -2.435 1.00 10.00 H new ATOM 0 HG22 VAL A 75 1.425 2.982 -0.871 1.00 10.00 H new ATOM 0 HG23 VAL A 75 0.906 3.918 -2.293 1.00 10.00 H new ATOM 1215 N MET A 76 3.924 6.927 0.640 1.00 10.00 N ATOM 1216 CA MET A 76 4.869 8.002 0.967 1.00 10.00 C ATOM 1217 C MET A 76 6.226 7.398 1.353 1.00 10.00 C ATOM 1218 O MET A 76 6.307 6.206 1.653 1.00 10.00 O ATOM 1219 CB MET A 76 4.308 8.870 2.108 1.00 10.00 C ATOM 1220 CG MET A 76 2.925 9.462 1.799 1.00 10.00 C ATOM 1221 SD MET A 76 2.296 10.641 3.030 1.00 10.00 S ATOM 1222 CE MET A 76 2.195 9.574 4.495 1.00 10.00 C ATOM 0 H MET A 76 3.944 6.178 1.332 1.00 10.00 H new ATOM 0 HA MET A 76 5.009 8.639 0.094 1.00 10.00 H new ATOM 0 HB2 MET A 76 4.243 8.268 3.015 1.00 10.00 H new ATOM 0 HB3 MET A 76 5.005 9.682 2.314 1.00 10.00 H new ATOM 0 HG2 MET A 76 2.969 9.961 0.831 1.00 10.00 H new ATOM 0 HG3 MET A 76 2.210 8.644 1.704 1.00 10.00 H new ATOM 0 HE1 MET A 76 1.677 10.103 5.295 1.00 10.00 H new ATOM 0 HE2 MET A 76 1.647 8.665 4.246 1.00 10.00 H new ATOM 0 HE3 MET A 76 3.200 9.312 4.825 1.00 10.00 H new ATOM 1232 N VAL A 77 7.313 8.173 1.308 1.00 10.00 N ATOM 1233 CA VAL A 77 8.667 7.659 1.589 1.00 10.00 C ATOM 1234 C VAL A 77 9.536 8.636 2.392 1.00 10.00 C ATOM 1235 O VAL A 77 9.365 9.855 2.306 1.00 10.00 O ATOM 1236 CB VAL A 77 9.318 7.204 0.265 1.00 10.00 C ATOM 1237 CG1 VAL A 77 9.744 8.362 -0.645 1.00 10.00 C ATOM 1238 CG2 VAL A 77 10.503 6.269 0.495 1.00 10.00 C ATOM 0 H VAL A 77 7.286 9.166 1.078 1.00 10.00 H new ATOM 0 HA VAL A 77 8.579 6.794 2.246 1.00 10.00 H new ATOM 0 HB VAL A 77 8.529 6.658 -0.252 1.00 10.00 H new ATOM 0 HG11 VAL A 77 10.193 7.964 -1.555 1.00 10.00 H new ATOM 0 HG12 VAL A 77 8.871 8.962 -0.903 1.00 10.00 H new ATOM 0 HG13 VAL A 77 10.471 8.985 -0.125 1.00 10.00 H new ATOM 0 HG21 VAL A 77 10.927 5.976 -0.465 1.00 10.00 H new ATOM 0 HG22 VAL A 77 11.262 6.782 1.086 1.00 10.00 H new ATOM 0 HG23 VAL A 77 10.167 5.380 1.029 1.00 10.00 H new ATOM 1248 N THR A 78 10.488 8.097 3.156 1.00 10.00 N ATOM 1249 CA THR A 78 11.534 8.840 3.877 1.00 10.00 C ATOM 1250 C THR A 78 12.885 8.111 3.806 1.00 10.00 C ATOM 1251 O THR A 78 12.941 6.885 3.670 1.00 10.00 O ATOM 1252 CB THR A 78 11.119 9.140 5.328 1.00 10.00 C ATOM 1253 OG1 THR A 78 12.082 9.985 5.923 1.00 10.00 O ATOM 1254 CG2 THR A 78 10.968 7.905 6.220 1.00 10.00 C ATOM 0 H THR A 78 10.558 7.089 3.298 1.00 10.00 H new ATOM 0 HA THR A 78 11.658 9.801 3.378 1.00 10.00 H new ATOM 0 HB THR A 78 10.136 9.605 5.258 1.00 10.00 H new ATOM 0 HG1 THR A 78 11.820 10.180 6.847 1.00 10.00 H new ATOM 0 HG21 THR A 78 10.674 8.214 7.223 1.00 10.00 H new ATOM 0 HG22 THR A 78 10.205 7.247 5.804 1.00 10.00 H new ATOM 0 HG23 THR A 78 11.918 7.373 6.269 1.00 10.00 H new ATOM 1262 N LYS A 79 13.981 8.879 3.857 1.00 10.00 N ATOM 1263 CA LYS A 79 15.372 8.420 3.698 1.00 10.00 C ATOM 1264 C LYS A 79 16.253 9.069 4.784 1.00 10.00 C ATOM 1265 O LYS A 79 16.938 10.051 4.503 1.00 10.00 O ATOM 1266 CB LYS A 79 15.829 8.720 2.253 1.00 10.00 C ATOM 1267 CG LYS A 79 17.226 8.192 1.875 1.00 10.00 C ATOM 1268 CD LYS A 79 17.333 6.657 1.915 1.00 10.00 C ATOM 1269 CE LYS A 79 18.705 6.150 1.445 1.00 10.00 C ATOM 1270 NZ LYS A 79 18.921 6.349 -0.014 1.00 10.00 N ATOM 0 H LYS A 79 13.922 9.885 4.018 1.00 10.00 H new ATOM 0 HA LYS A 79 15.461 7.343 3.841 1.00 10.00 H new ATOM 0 HB2 LYS A 79 15.100 8.293 1.564 1.00 10.00 H new ATOM 0 HB3 LYS A 79 15.815 9.800 2.103 1.00 10.00 H new ATOM 0 HG2 LYS A 79 17.479 8.540 0.873 1.00 10.00 H new ATOM 0 HG3 LYS A 79 17.963 8.618 2.556 1.00 10.00 H new ATOM 0 HD2 LYS A 79 17.150 6.310 2.932 1.00 10.00 H new ATOM 0 HD3 LYS A 79 16.555 6.225 1.286 1.00 10.00 H new ATOM 0 HE2 LYS A 79 19.488 6.668 1.998 1.00 10.00 H new ATOM 0 HE3 LYS A 79 18.796 5.090 1.681 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 19.824 5.915 -0.294 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 18.144 5.905 -0.544 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 18.947 7.367 -0.225 1.00 10.00 H new ATOM 1284 N PRO A 80 16.222 8.574 6.040 1.00 10.00 N ATOM 1285 CA PRO A 80 16.786 9.274 7.204 1.00 10.00 C ATOM 1286 C PRO A 80 18.304 9.526 7.156 1.00 10.00 C ATOM 1287 O PRO A 80 18.803 10.402 7.865 1.00 10.00 O ATOM 1288 CB PRO A 80 16.360 8.459 8.432 1.00 10.00 C ATOM 1289 CG PRO A 80 16.064 7.069 7.872 1.00 10.00 C ATOM 1290 CD PRO A 80 15.536 7.362 6.470 1.00 10.00 C ATOM 0 HA PRO A 80 16.394 10.291 7.231 1.00 10.00 H new ATOM 0 HB2 PRO A 80 17.150 8.427 9.182 1.00 10.00 H new ATOM 0 HB3 PRO A 80 15.482 8.891 8.912 1.00 10.00 H new ATOM 0 HG2 PRO A 80 16.959 6.448 7.843 1.00 10.00 H new ATOM 0 HG3 PRO A 80 15.328 6.540 8.477 1.00 10.00 H new ATOM 0 HD2 PRO A 80 15.742 6.533 5.792 1.00 10.00 H new ATOM 0 HD3 PRO A 80 14.455 7.505 6.480 1.00 10.00 H new ATOM 1298 N LYS A 81 19.035 8.817 6.284 1.00 10.00 N ATOM 1299 CA LYS A 81 20.445 9.087 5.944 1.00 10.00 C ATOM 1300 C LYS A 81 20.667 10.502 5.381 1.00 10.00 C ATOM 1301 O LYS A 81 21.678 11.133 5.697 1.00 10.00 O ATOM 1302 CB LYS A 81 20.906 8.015 4.937 1.00 10.00 C ATOM 1303 CG LYS A 81 22.393 8.066 4.547 1.00 10.00 C ATOM 1304 CD LYS A 81 23.347 7.857 5.734 1.00 10.00 C ATOM 1305 CE LYS A 81 24.798 7.808 5.239 1.00 10.00 C ATOM 1306 NZ LYS A 81 25.752 7.604 6.361 1.00 10.00 N ATOM 0 H LYS A 81 18.654 8.017 5.780 1.00 10.00 H new ATOM 0 HA LYS A 81 21.038 9.040 6.857 1.00 10.00 H new ATOM 0 HB2 LYS A 81 20.692 7.032 5.357 1.00 10.00 H new ATOM 0 HB3 LYS A 81 20.308 8.112 4.031 1.00 10.00 H new ATOM 0 HG2 LYS A 81 22.589 7.302 3.795 1.00 10.00 H new ATOM 0 HG3 LYS A 81 22.606 9.030 4.085 1.00 10.00 H new ATOM 0 HD2 LYS A 81 23.227 8.666 6.454 1.00 10.00 H new ATOM 0 HD3 LYS A 81 23.099 6.930 6.251 1.00 10.00 H new ATOM 0 HE2 LYS A 81 24.909 7.001 4.515 1.00 10.00 H new ATOM 0 HE3 LYS A 81 25.038 8.736 4.721 1.00 10.00 H new ATOM 0 HZ1 LYS A 81 26.723 7.576 5.990 1.00 10.00 H new ATOM 0 HZ2 LYS A 81 25.663 8.387 7.039 1.00 10.00 H new ATOM 0 HZ3 LYS A 81 25.538 6.706 6.840 1.00 10.00 H new ATOM 1320 N ALA A 82 19.730 10.995 4.568 1.00 10.00 N ATOM 1321 CA ALA A 82 19.721 12.346 4.005 1.00 10.00 C ATOM 1322 C ALA A 82 18.287 12.920 3.988 1.00 10.00 C ATOM 1323 O ALA A 82 17.572 12.837 2.984 1.00 10.00 O ATOM 1324 CB ALA A 82 20.373 12.303 2.614 1.00 10.00 C ATOM 0 H ALA A 82 18.925 10.442 4.273 1.00 10.00 H new ATOM 0 HA ALA A 82 20.304 13.025 4.627 1.00 10.00 H new ATOM 0 HB1 ALA A 82 20.374 13.303 2.181 1.00 10.00 H new ATOM 0 HB2 ALA A 82 21.399 11.946 2.704 1.00 10.00 H new ATOM 0 HB3 ALA A 82 19.810 11.629 1.969 1.00 10.00 H new ATOM 1330 N VAL A 83 17.880 13.526 5.112 1.00 10.00 N ATOM 1331 CA VAL A 83 16.511 14.048 5.343 1.00 10.00 C ATOM 1332 C VAL A 83 16.472 15.505 5.850 1.00 10.00 C ATOM 1333 O VAL A 83 15.399 16.107 5.930 1.00 10.00 O ATOM 1334 CB VAL A 83 15.744 13.068 6.265 1.00 10.00 C ATOM 1335 CG1 VAL A 83 16.210 13.128 7.726 1.00 10.00 C ATOM 1336 CG2 VAL A 83 14.221 13.227 6.208 1.00 10.00 C ATOM 0 H VAL A 83 18.501 13.674 5.908 1.00 10.00 H new ATOM 0 HA VAL A 83 16.006 14.099 4.379 1.00 10.00 H new ATOM 0 HB VAL A 83 15.991 12.086 5.861 1.00 10.00 H new ATOM 0 HG11 VAL A 83 15.635 12.419 8.321 1.00 10.00 H new ATOM 0 HG12 VAL A 83 17.268 12.873 7.781 1.00 10.00 H new ATOM 0 HG13 VAL A 83 16.058 14.135 8.115 1.00 10.00 H new ATOM 0 HG21 VAL A 83 13.755 12.507 6.880 1.00 10.00 H new ATOM 0 HG22 VAL A 83 13.949 14.237 6.513 1.00 10.00 H new ATOM 0 HG23 VAL A 83 13.875 13.050 5.190 1.00 10.00 H new ATOM 1346 N SER A 84 17.636 16.103 6.131 1.00 10.00 N ATOM 1347 CA SER A 84 17.792 17.482 6.631 1.00 10.00 C ATOM 1348 C SER A 84 18.830 18.268 5.819 1.00 10.00 C ATOM 1349 O SER A 84 19.792 17.690 5.299 1.00 10.00 O ATOM 1350 CB SER A 84 18.203 17.472 8.111 1.00 10.00 C ATOM 1351 OG SER A 84 17.212 16.842 8.912 1.00 10.00 O ATOM 0 H SER A 84 18.530 15.626 6.014 1.00 10.00 H new ATOM 0 HA SER A 84 16.827 17.976 6.521 1.00 10.00 H new ATOM 0 HB2 SER A 84 19.153 16.950 8.224 1.00 10.00 H new ATOM 0 HB3 SER A 84 18.358 18.494 8.456 1.00 10.00 H new ATOM 0 HG SER A 84 17.498 16.847 9.849 1.00 10.00 H new ATOM 1357 N THR A 85 18.646 19.591 5.728 1.00 10.00 N ATOM 1358 CA THR A 85 19.474 20.545 4.952 1.00 10.00 C ATOM 1359 C THR A 85 19.671 21.885 5.671 1.00 10.00 C ATOM 1360 O THR A 85 20.680 22.566 5.377 1.00 10.00 O ATOM 1361 CB THR A 85 18.885 20.809 3.555 1.00 10.00 C ATOM 1362 OG1 THR A 85 17.520 21.170 3.646 1.00 10.00 O ATOM 1363 CG2 THR A 85 18.997 19.589 2.636 1.00 10.00 C ATOM 1364 OXT THR A 85 18.854 22.245 6.553 1.00 10.00 O ATOM 0 H THR A 85 17.880 20.056 6.215 1.00 10.00 H new ATOM 0 HA THR A 85 20.447 20.064 4.851 1.00 10.00 H new ATOM 0 HB THR A 85 19.468 21.626 3.129 1.00 10.00 H new ATOM 0 HG1 THR A 85 17.165 21.335 2.748 1.00 10.00 H new ATOM 0 HG21 THR A 85 18.568 19.826 1.663 1.00 10.00 H new ATOM 0 HG22 THR A 85 20.046 19.320 2.514 1.00 10.00 H new ATOM 0 HG23 THR A 85 18.457 18.751 3.076 1.00 10.00 H new TER 1372 THR A 85