USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 665 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 50 ASN : amide:sc= 1.74 K(o=0.42,f=-10!) USER MOD Set 1.2: A 58 THR OG1 : rot -110:sc= -1.32 USER MOD Set 2.1: A 25 THR OG1 : rot 83:sc= 1.43 USER MOD Set 2.2: A 31 TYR OH : rot -178:sc= 0.167 USER MOD Single : A 1 MET CE :methyl 166:sc= 0 (180deg=-0.167) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.0224 (180deg=-0.0224) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 30:sc= 0 USER MOD Single : A 10 THR OG1 : rot 120:sc= 0.105 USER MOD Single : A 11 THR OG1 : rot 152:sc= 0.107 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 94:sc= -2.81! USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 163:sc= -0.395 USER MOD Single : A 21 LYS NZ :NH3+ -124:sc= -1.18! (180deg=-1.56!) USER MOD Single : A 22 THR OG1 : rot 79:sc= 1.25 USER MOD Single : A 27 ASN : amide:sc= 1.25 K(o=1.2,f=-0.008) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= 0.508 K(o=0.51,f=0) USER MOD Single : A 48 SER OG : rot 94:sc= 1.27 USER MOD Single : A 53 ASN : amide:sc= -1.37! C(o=-1.4!,f=-10!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 170:sc= 0.549 (180deg=0.4) USER MOD Single : A 65 SER OG : rot 170:sc= -0.133 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -102:sc= 1.08 USER MOD Single : A 69 ASN : amide:sc= -0.313 K(o=-0.31,f=-4.1!) USER MOD Single : A 71 SER OG : rot 115:sc= 0.765 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0.984 (180deg=0.984) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=-0.048) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.763 11.354 6.795 1.00 0.00 N ATOM 2 CA MET A 1 9.449 11.293 6.157 1.00 0.00 C ATOM 3 C MET A 1 8.913 9.860 6.122 1.00 0.00 C ATOM 4 O MET A 1 7.908 9.588 5.461 1.00 0.00 O ATOM 5 CB MET A 1 9.489 11.864 4.724 1.00 0.00 C ATOM 6 CG MET A 1 10.408 11.118 3.766 1.00 0.00 C ATOM 7 SD MET A 1 10.355 11.771 2.090 1.00 0.00 S ATOM 8 CE MET A 1 11.529 10.683 1.279 1.00 0.00 C ATOM 0 H1 MET A 1 11.099 12.338 6.803 1.00 0.00 H new ATOM 0 H2 MET A 1 10.691 11.004 7.772 1.00 0.00 H new ATOM 0 H3 MET A 1 11.434 10.763 6.264 1.00 0.00 H new ATOM 0 HA MET A 1 8.778 11.906 6.759 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.478 11.856 4.316 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.805 12.906 4.772 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.431 11.170 4.138 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.128 10.065 3.749 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.432 10.785 0.198 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.542 10.952 1.580 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.327 9.651 1.566 1.00 0.00 H new ATOM 20 N VAL A 2 9.540 8.942 6.846 1.00 0.00 N ATOM 21 CA VAL A 2 9.095 7.579 6.805 1.00 0.00 C ATOM 22 C VAL A 2 8.664 7.039 8.190 1.00 0.00 C ATOM 23 O VAL A 2 9.424 6.379 8.907 1.00 0.00 O ATOM 24 CB VAL A 2 10.103 6.630 6.056 1.00 0.00 C ATOM 25 CG1 VAL A 2 11.488 6.608 6.707 1.00 0.00 C ATOM 26 CG2 VAL A 2 9.535 5.220 5.901 1.00 0.00 C ATOM 0 H VAL A 2 10.340 9.122 7.453 1.00 0.00 H new ATOM 0 HA VAL A 2 8.188 7.581 6.201 1.00 0.00 H new ATOM 0 HB VAL A 2 10.237 7.047 5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 2 12.142 5.937 6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 2 11.909 7.613 6.701 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.401 6.257 7.735 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.257 4.592 5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.332 4.799 6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 2 8.609 5.262 5.327 1.00 0.00 H new ATOM 36 N THR A 3 7.468 7.393 8.590 1.00 0.00 N ATOM 37 CA THR A 3 6.896 6.837 9.793 1.00 0.00 C ATOM 38 C THR A 3 5.992 5.679 9.373 1.00 0.00 C ATOM 39 O THR A 3 5.861 4.671 10.072 1.00 0.00 O ATOM 40 CB THR A 3 6.117 7.905 10.651 1.00 0.00 C ATOM 41 OG1 THR A 3 5.632 7.324 11.879 1.00 0.00 O ATOM 42 CG2 THR A 3 4.945 8.521 9.890 1.00 0.00 C ATOM 0 H THR A 3 6.872 8.062 8.102 1.00 0.00 H new ATOM 0 HA THR A 3 7.694 6.484 10.446 1.00 0.00 H new ATOM 0 HB THR A 3 6.831 8.698 10.875 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.153 8.005 12.396 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.442 9.250 10.525 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.314 9.016 8.992 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.241 7.737 9.609 1.00 0.00 H new ATOM 50 N ALA A 4 5.431 5.822 8.194 1.00 0.00 N ATOM 51 CA ALA A 4 4.607 4.834 7.591 1.00 0.00 C ATOM 52 C ALA A 4 5.151 4.600 6.204 1.00 0.00 C ATOM 53 O ALA A 4 5.017 5.468 5.331 1.00 0.00 O ATOM 54 CB ALA A 4 3.168 5.318 7.536 1.00 0.00 C ATOM 0 H ALA A 4 5.547 6.659 7.622 1.00 0.00 H new ATOM 0 HA ALA A 4 4.614 3.907 8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.545 4.554 7.072 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.811 5.513 8.547 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.115 6.235 6.949 1.00 0.00 H new ATOM 60 N ALA A 5 5.790 3.453 6.019 1.00 0.00 N ATOM 61 CA ALA A 5 6.441 3.097 4.758 1.00 0.00 C ATOM 62 C ALA A 5 5.423 3.077 3.641 1.00 0.00 C ATOM 63 O ALA A 5 5.637 3.660 2.567 1.00 0.00 O ATOM 64 CB ALA A 5 7.104 1.732 4.901 1.00 0.00 C ATOM 0 H ALA A 5 5.874 2.737 6.741 1.00 0.00 H new ATOM 0 HA ALA A 5 7.203 3.838 4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.590 1.464 3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.848 1.770 5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.349 0.985 5.145 1.00 0.00 H new ATOM 70 N LEU A 6 4.323 2.432 3.908 1.00 0.00 N ATOM 71 CA LEU A 6 3.213 2.397 3.018 1.00 0.00 C ATOM 72 C LEU A 6 1.955 2.247 3.817 1.00 0.00 C ATOM 73 O LEU A 6 1.883 1.420 4.733 1.00 0.00 O ATOM 74 CB LEU A 6 3.318 1.311 1.911 1.00 0.00 C ATOM 75 CG LEU A 6 3.409 -0.169 2.345 1.00 0.00 C ATOM 76 CD1 LEU A 6 3.120 -1.056 1.165 1.00 0.00 C ATOM 77 CD2 LEU A 6 4.791 -0.505 2.876 1.00 0.00 C ATOM 0 H LEU A 6 4.177 1.907 4.770 1.00 0.00 H new ATOM 0 HA LEU A 6 3.204 3.341 2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.450 1.414 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.197 1.535 1.307 1.00 0.00 H new ATOM 0 HG LEU A 6 2.679 -0.332 3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.184 -2.100 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.118 -0.848 0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.849 -0.863 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.822 -1.553 3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.533 -0.326 2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.012 0.123 3.739 1.00 0.00 H new ATOM 89 N THR A 7 1.009 3.065 3.509 1.00 0.00 N ATOM 90 CA THR A 7 -0.255 3.068 4.150 1.00 0.00 C ATOM 91 C THR A 7 -1.258 2.383 3.225 1.00 0.00 C ATOM 92 O THR A 7 -1.449 2.798 2.075 1.00 0.00 O ATOM 93 CB THR A 7 -0.694 4.520 4.430 1.00 0.00 C ATOM 94 OG1 THR A 7 0.378 5.229 5.108 1.00 0.00 O ATOM 95 CG2 THR A 7 -1.941 4.546 5.303 1.00 0.00 C ATOM 0 H THR A 7 1.099 3.772 2.780 1.00 0.00 H new ATOM 0 HA THR A 7 -0.201 2.536 5.100 1.00 0.00 H new ATOM 0 HB THR A 7 -0.919 5.003 3.479 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.100 6.152 5.284 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.234 5.579 5.489 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.752 4.025 4.794 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.731 4.052 6.252 1.00 0.00 H new ATOM 103 N ILE A 8 -1.839 1.332 3.716 1.00 0.00 N ATOM 104 CA ILE A 8 -2.760 0.521 2.976 1.00 0.00 C ATOM 105 C ILE A 8 -4.191 1.028 3.106 1.00 0.00 C ATOM 106 O ILE A 8 -4.739 1.129 4.212 1.00 0.00 O ATOM 107 CB ILE A 8 -2.662 -0.975 3.428 1.00 0.00 C ATOM 108 CG1 ILE A 8 -1.329 -1.592 2.983 1.00 0.00 C ATOM 109 CG2 ILE A 8 -3.843 -1.799 2.950 1.00 0.00 C ATOM 110 CD1 ILE A 8 -1.132 -3.029 3.412 1.00 0.00 C ATOM 0 H ILE A 8 -1.682 1.004 4.669 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.484 0.588 1.924 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.696 -0.988 4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.262 -1.537 1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.513 -0.991 3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.729 -2.829 3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.765 -1.383 3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.885 -1.778 1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.166 -3.386 3.056 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.164 -3.092 4.500 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.925 -3.647 2.990 1.00 0.00 H new ATOM 122 N TYR A 9 -4.759 1.378 1.974 1.00 0.00 N ATOM 123 CA TYR A 9 -6.140 1.769 1.879 1.00 0.00 C ATOM 124 C TYR A 9 -6.919 0.636 1.258 1.00 0.00 C ATOM 125 O TYR A 9 -6.669 0.271 0.105 1.00 0.00 O ATOM 126 CB TYR A 9 -6.317 3.014 1.006 1.00 0.00 C ATOM 127 CG TYR A 9 -5.662 4.280 1.495 1.00 0.00 C ATOM 128 CD1 TYR A 9 -5.968 4.813 2.738 1.00 0.00 C ATOM 129 CD2 TYR A 9 -4.768 4.966 0.690 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.396 5.993 3.167 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.190 6.141 1.111 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.504 6.654 2.347 1.00 0.00 C ATOM 133 OH TYR A 9 -3.928 7.836 2.763 1.00 0.00 O ATOM 0 H TYR A 9 -4.264 1.398 1.082 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.499 1.998 2.882 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.928 2.791 0.012 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.385 3.204 0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.665 4.296 3.381 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.521 4.572 -0.285 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.644 6.397 4.137 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.491 6.660 0.472 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.847 7.835 3.740 1.00 0.00 H new ATOM 143 N THR A 10 -7.816 0.052 2.010 1.00 0.00 N ATOM 144 CA THR A 10 -8.637 -1.014 1.511 1.00 0.00 C ATOM 145 C THR A 10 -9.833 -1.215 2.452 1.00 0.00 C ATOM 146 O THR A 10 -10.027 -0.434 3.406 1.00 0.00 O ATOM 147 CB THR A 10 -7.809 -2.332 1.359 1.00 0.00 C ATOM 148 OG1 THR A 10 -8.572 -3.371 0.707 1.00 0.00 O ATOM 149 CG2 THR A 10 -7.309 -2.819 2.705 1.00 0.00 C ATOM 0 H THR A 10 -7.995 0.303 2.982 1.00 0.00 H new ATOM 0 HA THR A 10 -9.007 -0.749 0.520 1.00 0.00 H new ATOM 0 HB THR A 10 -6.950 -2.099 0.729 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.118 -3.642 -0.118 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.737 -3.737 2.570 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.672 -2.057 3.154 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.158 -3.014 3.360 1.00 0.00 H new ATOM 157 N THR A 11 -10.608 -2.233 2.180 1.00 0.00 N ATOM 158 CA THR A 11 -11.769 -2.571 2.935 1.00 0.00 C ATOM 159 C THR A 11 -11.586 -3.952 3.545 1.00 0.00 C ATOM 160 O THR A 11 -10.671 -4.697 3.164 1.00 0.00 O ATOM 161 CB THR A 11 -13.006 -2.588 2.023 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.725 -3.384 0.855 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.401 -1.187 1.601 1.00 0.00 C ATOM 0 H THR A 11 -10.435 -2.866 1.399 1.00 0.00 H new ATOM 0 HA THR A 11 -11.910 -1.829 3.721 1.00 0.00 H new ATOM 0 HB THR A 11 -13.838 -3.019 2.580 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.558 -3.775 0.517 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.279 -1.235 0.957 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.631 -0.592 2.485 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.577 -0.725 1.057 1.00 0.00 H new ATOM 171 N SER A 12 -12.434 -4.295 4.467 1.00 0.00 N ATOM 172 CA SER A 12 -12.384 -5.583 5.109 1.00 0.00 C ATOM 173 C SER A 12 -13.007 -6.673 4.209 1.00 0.00 C ATOM 174 O SER A 12 -12.764 -7.867 4.395 1.00 0.00 O ATOM 175 CB SER A 12 -13.123 -5.486 6.432 1.00 0.00 C ATOM 176 OG SER A 12 -12.615 -4.401 7.208 1.00 0.00 O ATOM 0 H SER A 12 -13.185 -3.690 4.800 1.00 0.00 H new ATOM 0 HA SER A 12 -11.346 -5.867 5.285 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.188 -5.344 6.251 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.015 -6.419 6.985 1.00 0.00 H new ATOM 0 HG SER A 12 -13.102 -4.350 8.057 1.00 0.00 H new ATOM 182 N TRP A 13 -13.785 -6.251 3.217 1.00 0.00 N ATOM 183 CA TRP A 13 -14.464 -7.187 2.327 1.00 0.00 C ATOM 184 C TRP A 13 -13.661 -7.494 1.065 1.00 0.00 C ATOM 185 O TRP A 13 -14.072 -8.309 0.232 1.00 0.00 O ATOM 186 CB TRP A 13 -15.910 -6.727 2.000 1.00 0.00 C ATOM 187 CG TRP A 13 -16.065 -5.297 1.525 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.423 -4.223 2.292 1.00 0.00 C ATOM 189 CD2 TRP A 13 -15.898 -4.794 0.186 1.00 0.00 C ATOM 190 NE1 TRP A 13 -16.485 -3.090 1.521 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.166 -3.410 0.227 1.00 0.00 C ATOM 192 CE3 TRP A 13 -15.546 -5.374 -1.039 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -16.094 -2.602 -0.907 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -15.475 -4.569 -2.162 1.00 0.00 C ATOM 195 CH2 TRP A 13 -15.749 -3.196 -2.089 1.00 0.00 C ATOM 0 H TRP A 13 -13.961 -5.268 3.009 1.00 0.00 H new ATOM 0 HA TRP A 13 -14.540 -8.128 2.872 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.315 -7.388 1.234 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.522 -6.860 2.892 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -16.627 -4.261 3.352 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -16.729 -2.158 1.857 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.334 -6.431 -1.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -16.303 -1.544 -0.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -15.204 -5.006 -3.112 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -15.686 -2.596 -2.984 1.00 0.00 H new ATOM 206 N CYS A 14 -12.522 -6.863 0.936 1.00 0.00 N ATOM 207 CA CYS A 14 -11.670 -7.073 -0.206 1.00 0.00 C ATOM 208 C CYS A 14 -10.843 -8.346 -0.010 1.00 0.00 C ATOM 209 O CYS A 14 -10.238 -8.542 1.053 1.00 0.00 O ATOM 210 CB CYS A 14 -10.756 -5.854 -0.408 1.00 0.00 C ATOM 211 SG CYS A 14 -9.622 -5.982 -1.797 1.00 0.00 S ATOM 0 H CYS A 14 -12.161 -6.193 1.615 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.284 -7.194 -1.098 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.379 -4.970 -0.546 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.177 -5.697 0.502 1.00 0.00 H new ATOM 0 HG CYS A 14 -10.155 -5.427 -2.845 1.00 0.00 H new ATOM 217 N GLY A 15 -10.825 -9.203 -1.015 1.00 0.00 N ATOM 218 CA GLY A 15 -10.059 -10.424 -0.945 1.00 0.00 C ATOM 219 C GLY A 15 -8.589 -10.135 -0.996 1.00 0.00 C ATOM 220 O GLY A 15 -7.818 -10.622 -0.165 1.00 0.00 O ATOM 0 H GLY A 15 -11.335 -9.071 -1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.298 -10.956 -0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.334 -11.079 -1.772 1.00 0.00 H new ATOM 224 N TYR A 16 -8.197 -9.276 -1.929 1.00 0.00 N ATOM 225 CA TYR A 16 -6.801 -8.886 -2.081 1.00 0.00 C ATOM 226 C TYR A 16 -6.268 -8.146 -0.871 1.00 0.00 C ATOM 227 O TYR A 16 -5.064 -8.018 -0.716 1.00 0.00 O ATOM 228 CB TYR A 16 -6.561 -8.055 -3.337 1.00 0.00 C ATOM 229 CG TYR A 16 -6.597 -8.845 -4.623 1.00 0.00 C ATOM 230 CD1 TYR A 16 -5.815 -9.988 -4.778 1.00 0.00 C ATOM 231 CD2 TYR A 16 -7.375 -8.432 -5.691 1.00 0.00 C ATOM 232 CE1 TYR A 16 -5.817 -10.694 -5.961 1.00 0.00 C ATOM 233 CE2 TYR A 16 -7.388 -9.134 -6.877 1.00 0.00 C ATOM 234 CZ TYR A 16 -6.603 -10.268 -7.008 1.00 0.00 C ATOM 235 OH TYR A 16 -6.604 -10.977 -8.195 1.00 0.00 O ATOM 0 H TYR A 16 -8.830 -8.834 -2.595 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.252 -9.823 -2.178 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.314 -7.268 -3.387 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.592 -7.564 -3.253 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.198 -10.325 -3.958 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.982 -7.544 -5.593 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.205 -11.577 -6.067 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.006 -8.802 -7.698 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.212 -10.547 -8.832 1.00 0.00 H new ATOM 245 N CYS A 17 -7.162 -7.678 -0.022 1.00 0.00 N ATOM 246 CA CYS A 17 -6.794 -6.975 1.184 1.00 0.00 C ATOM 247 C CYS A 17 -5.934 -7.848 2.064 1.00 0.00 C ATOM 248 O CYS A 17 -4.736 -7.611 2.197 1.00 0.00 O ATOM 249 CB CYS A 17 -8.068 -6.536 1.913 1.00 0.00 C ATOM 250 SG CYS A 17 -7.886 -5.960 3.610 1.00 0.00 S ATOM 0 H CYS A 17 -8.169 -7.777 -0.153 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.208 -6.091 0.930 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.532 -5.738 1.333 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.764 -7.375 1.913 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.948 -5.296 3.959 1.00 0.00 H new ATOM 256 N LEU A 18 -6.502 -8.932 2.526 1.00 0.00 N ATOM 257 CA LEU A 18 -5.821 -9.822 3.436 1.00 0.00 C ATOM 258 C LEU A 18 -4.719 -10.612 2.738 1.00 0.00 C ATOM 259 O LEU A 18 -3.728 -11.016 3.361 1.00 0.00 O ATOM 260 CB LEU A 18 -6.838 -10.690 4.210 1.00 0.00 C ATOM 261 CG LEU A 18 -7.988 -11.329 3.401 1.00 0.00 C ATOM 262 CD1 LEU A 18 -7.509 -12.440 2.496 1.00 0.00 C ATOM 263 CD2 LEU A 18 -9.088 -11.807 4.322 1.00 0.00 C ATOM 0 H LEU A 18 -7.449 -9.224 2.283 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.300 -9.229 4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.289 -11.491 4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.279 -10.074 4.994 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.394 -10.554 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.356 -12.855 1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.780 -12.044 1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.045 -13.223 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.888 -12.254 3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.688 -12.550 5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.482 -10.962 4.887 1.00 0.00 H new ATOM 275 N ARG A 19 -4.869 -10.772 1.435 1.00 0.00 N ATOM 276 CA ARG A 19 -3.874 -11.436 0.623 1.00 0.00 C ATOM 277 C ARG A 19 -2.597 -10.629 0.593 1.00 0.00 C ATOM 278 O ARG A 19 -1.509 -11.149 0.855 1.00 0.00 O ATOM 279 CB ARG A 19 -4.382 -11.644 -0.789 1.00 0.00 C ATOM 280 CG ARG A 19 -5.563 -12.601 -0.901 1.00 0.00 C ATOM 281 CD ARG A 19 -5.227 -13.968 -0.332 1.00 0.00 C ATOM 282 NE ARG A 19 -4.083 -14.580 -1.015 1.00 0.00 N ATOM 283 CZ ARG A 19 -3.266 -15.492 -0.467 1.00 0.00 C ATOM 284 NH1 ARG A 19 -3.396 -15.829 0.816 1.00 0.00 N ATOM 285 NH2 ARG A 19 -2.302 -16.035 -1.191 1.00 0.00 N ATOM 0 H ARG A 19 -5.683 -10.445 0.914 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.671 -12.410 1.067 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.672 -10.678 -1.203 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.565 -12.022 -1.404 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.421 -12.186 -0.371 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.853 -12.702 -1.947 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.007 -13.874 0.731 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.095 -14.621 -0.421 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.895 -14.292 -1.975 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.120 -15.393 1.387 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.772 -16.523 1.227 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.180 -15.760 -2.166 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.681 -16.728 -0.775 1.00 0.00 H new ATOM 299 N LEU A 20 -2.736 -9.351 0.337 1.00 0.00 N ATOM 300 CA LEU A 20 -1.601 -8.476 0.250 1.00 0.00 C ATOM 301 C LEU A 20 -0.980 -8.243 1.627 1.00 0.00 C ATOM 302 O LEU A 20 0.240 -8.087 1.745 1.00 0.00 O ATOM 303 CB LEU A 20 -1.991 -7.172 -0.422 1.00 0.00 C ATOM 304 CG LEU A 20 -0.870 -6.170 -0.664 1.00 0.00 C ATOM 305 CD1 LEU A 20 0.227 -6.738 -1.567 1.00 0.00 C ATOM 306 CD2 LEU A 20 -1.427 -4.904 -1.241 1.00 0.00 C ATOM 0 H LEU A 20 -3.635 -8.894 0.184 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.839 -8.954 -0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.451 -7.407 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.754 -6.689 0.188 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.409 -5.952 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.004 -5.988 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.659 -7.624 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.200 -7.008 -2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.617 -4.194 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.922 -5.122 -2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.148 -4.473 -0.546 1.00 0.00 H new ATOM 318 N LYS A 21 -1.819 -8.251 2.675 1.00 0.00 N ATOM 319 CA LYS A 21 -1.328 -8.144 4.061 1.00 0.00 C ATOM 320 C LYS A 21 -0.352 -9.289 4.312 1.00 0.00 C ATOM 321 O LYS A 21 0.738 -9.100 4.870 1.00 0.00 O ATOM 322 CB LYS A 21 -2.482 -8.275 5.071 1.00 0.00 C ATOM 323 CG LYS A 21 -3.666 -7.315 4.881 1.00 0.00 C ATOM 324 CD LYS A 21 -3.344 -5.818 4.915 1.00 0.00 C ATOM 325 CE LYS A 21 -3.175 -5.254 6.316 1.00 0.00 C ATOM 326 NZ LYS A 21 -4.326 -5.556 7.214 1.00 0.00 N ATOM 0 H LYS A 21 -2.833 -8.330 2.592 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.854 -7.171 4.189 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.860 -9.297 5.028 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.078 -8.126 6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.138 -7.541 3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.402 -7.523 5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.429 -5.641 4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.141 -5.274 4.409 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.263 -5.659 6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.046 -4.174 6.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.709 -4.669 7.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.067 -6.048 6.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.006 -6.162 7.996 1.00 0.00 H new ATOM 340 N THR A 22 -0.752 -10.462 3.840 1.00 0.00 N ATOM 341 CA THR A 22 0.025 -11.671 3.949 1.00 0.00 C ATOM 342 C THR A 22 1.332 -11.532 3.153 1.00 0.00 C ATOM 343 O THR A 22 2.418 -11.759 3.687 1.00 0.00 O ATOM 344 CB THR A 22 -0.794 -12.871 3.406 1.00 0.00 C ATOM 345 OG1 THR A 22 -2.046 -12.966 4.119 1.00 0.00 O ATOM 346 CG2 THR A 22 -0.031 -14.183 3.547 1.00 0.00 C ATOM 0 H THR A 22 -1.644 -10.593 3.363 1.00 0.00 H new ATOM 0 HA THR A 22 0.266 -11.844 4.998 1.00 0.00 H new ATOM 0 HB THR A 22 -0.977 -12.698 2.345 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.677 -12.306 3.762 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.637 -15.000 3.156 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.902 -14.123 2.987 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.188 -14.365 4.599 1.00 0.00 H new ATOM 354 N ALA A 23 1.207 -11.098 1.902 1.00 0.00 N ATOM 355 CA ALA A 23 2.335 -10.962 0.986 1.00 0.00 C ATOM 356 C ALA A 23 3.417 -10.029 1.526 1.00 0.00 C ATOM 357 O ALA A 23 4.611 -10.350 1.464 1.00 0.00 O ATOM 358 CB ALA A 23 1.855 -10.486 -0.373 1.00 0.00 C ATOM 0 H ALA A 23 0.313 -10.829 1.492 1.00 0.00 H new ATOM 0 HA ALA A 23 2.787 -11.949 0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.707 -10.389 -1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.149 -11.208 -0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.364 -9.519 -0.267 1.00 0.00 H new ATOM 364 N LEU A 24 3.014 -8.894 2.072 1.00 0.00 N ATOM 365 CA LEU A 24 3.980 -7.945 2.624 1.00 0.00 C ATOM 366 C LEU A 24 4.653 -8.521 3.864 1.00 0.00 C ATOM 367 O LEU A 24 5.870 -8.417 4.025 1.00 0.00 O ATOM 368 CB LEU A 24 3.335 -6.598 2.954 1.00 0.00 C ATOM 369 CG LEU A 24 2.669 -5.806 1.815 1.00 0.00 C ATOM 370 CD1 LEU A 24 2.116 -4.511 2.360 1.00 0.00 C ATOM 371 CD2 LEU A 24 3.637 -5.507 0.681 1.00 0.00 C ATOM 0 H LEU A 24 2.039 -8.605 2.147 1.00 0.00 H new ATOM 0 HA LEU A 24 4.734 -7.773 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.582 -6.770 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.102 -5.962 3.396 1.00 0.00 H new ATOM 0 HG LEU A 24 1.866 -6.422 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.644 -3.949 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.378 -4.727 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.926 -3.921 2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.122 -4.947 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.471 -4.917 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.013 -6.443 0.267 1.00 0.00 H new ATOM 383 N THR A 25 3.870 -9.164 4.705 1.00 0.00 N ATOM 384 CA THR A 25 4.378 -9.777 5.916 1.00 0.00 C ATOM 385 C THR A 25 5.396 -10.887 5.573 1.00 0.00 C ATOM 386 O THR A 25 6.480 -10.971 6.176 1.00 0.00 O ATOM 387 CB THR A 25 3.211 -10.359 6.746 1.00 0.00 C ATOM 388 OG1 THR A 25 2.286 -9.305 7.093 1.00 0.00 O ATOM 389 CG2 THR A 25 3.711 -11.023 8.019 1.00 0.00 C ATOM 0 H THR A 25 2.865 -9.277 4.569 1.00 0.00 H new ATOM 0 HA THR A 25 4.885 -9.014 6.507 1.00 0.00 H new ATOM 0 HB THR A 25 2.712 -11.113 6.137 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.673 -9.148 6.345 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.864 -11.421 8.578 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.391 -11.835 7.763 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.237 -10.289 8.630 1.00 0.00 H new ATOM 397 N ALA A 26 5.065 -11.674 4.558 1.00 0.00 N ATOM 398 CA ALA A 26 5.893 -12.780 4.094 1.00 0.00 C ATOM 399 C ALA A 26 7.216 -12.292 3.515 1.00 0.00 C ATOM 400 O ALA A 26 8.200 -13.034 3.461 1.00 0.00 O ATOM 401 CB ALA A 26 5.138 -13.580 3.054 1.00 0.00 C ATOM 0 H ALA A 26 4.202 -11.561 4.026 1.00 0.00 H new ATOM 0 HA ALA A 26 6.121 -13.412 4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.759 -14.406 2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.221 -13.974 3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.889 -12.936 2.210 1.00 0.00 H new ATOM 407 N ASN A 27 7.239 -11.056 3.086 1.00 0.00 N ATOM 408 CA ASN A 27 8.433 -10.482 2.512 1.00 0.00 C ATOM 409 C ASN A 27 9.128 -9.556 3.473 1.00 0.00 C ATOM 410 O ASN A 27 10.085 -8.882 3.101 1.00 0.00 O ATOM 411 CB ASN A 27 8.155 -9.793 1.173 1.00 0.00 C ATOM 412 CG ASN A 27 7.921 -10.786 0.044 1.00 0.00 C ATOM 413 OD1 ASN A 27 8.863 -11.204 -0.631 1.00 0.00 O ATOM 414 ND2 ASN A 27 6.691 -11.181 -0.166 1.00 0.00 N ATOM 0 H ASN A 27 6.440 -10.423 3.123 1.00 0.00 H new ATOM 0 HA ASN A 27 9.112 -11.311 2.311 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.281 -9.150 1.274 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.997 -9.149 0.918 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.491 -11.854 -0.906 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.933 -10.816 0.410 1.00 0.00 H new ATOM 421 N ARG A 28 8.669 -9.556 4.734 1.00 0.00 N ATOM 422 CA ARG A 28 9.262 -8.743 5.814 1.00 0.00 C ATOM 423 C ARG A 28 9.153 -7.251 5.517 1.00 0.00 C ATOM 424 O ARG A 28 10.096 -6.478 5.725 1.00 0.00 O ATOM 425 CB ARG A 28 10.727 -9.148 6.065 1.00 0.00 C ATOM 426 CG ARG A 28 10.933 -10.568 6.598 1.00 0.00 C ATOM 427 CD ARG A 28 10.422 -10.740 8.033 1.00 0.00 C ATOM 428 NE ARG A 28 8.951 -10.683 8.166 1.00 0.00 N ATOM 429 CZ ARG A 28 8.290 -9.931 9.069 1.00 0.00 C ATOM 430 NH1 ARG A 28 8.920 -8.986 9.750 1.00 0.00 N ATOM 431 NH2 ARG A 28 6.986 -10.106 9.248 1.00 0.00 N ATOM 0 H ARG A 28 7.875 -10.120 5.037 1.00 0.00 H new ATOM 0 HA ARG A 28 8.693 -8.939 6.723 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.280 -9.045 5.131 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.164 -8.445 6.774 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.419 -11.275 5.946 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.994 -10.815 6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.773 -11.697 8.419 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.862 -9.963 8.658 1.00 0.00 H new ATOM 0 HE ARG A 28 8.396 -11.254 7.529 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.914 -8.822 9.594 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.411 -8.423 10.431 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.486 -10.808 8.703 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.484 -9.538 9.931 1.00 0.00 H new ATOM 445 N ILE A 29 8.010 -6.850 5.045 1.00 0.00 N ATOM 446 CA ILE A 29 7.770 -5.469 4.739 1.00 0.00 C ATOM 447 C ILE A 29 6.932 -4.848 5.848 1.00 0.00 C ATOM 448 O ILE A 29 5.955 -5.452 6.303 1.00 0.00 O ATOM 449 CB ILE A 29 7.055 -5.318 3.380 1.00 0.00 C ATOM 450 CG1 ILE A 29 7.896 -6.004 2.288 1.00 0.00 C ATOM 451 CG2 ILE A 29 6.851 -3.834 3.052 1.00 0.00 C ATOM 452 CD1 ILE A 29 7.222 -6.112 0.949 1.00 0.00 C ATOM 0 H ILE A 29 7.219 -7.468 4.861 1.00 0.00 H new ATOM 0 HA ILE A 29 8.727 -4.952 4.670 1.00 0.00 H new ATOM 0 HB ILE A 29 6.075 -5.792 3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.828 -5.452 2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.160 -7.005 2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.346 -3.740 2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.243 -3.370 3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.819 -3.336 3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.890 -6.608 0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.304 -6.692 1.049 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.983 -5.114 0.581 1.00 0.00 H new ATOM 464 N ALA A 30 7.350 -3.695 6.311 1.00 0.00 N ATOM 465 CA ALA A 30 6.643 -2.963 7.341 1.00 0.00 C ATOM 466 C ALA A 30 5.595 -2.071 6.698 1.00 0.00 C ATOM 467 O ALA A 30 5.915 -1.288 5.808 1.00 0.00 O ATOM 468 CB ALA A 30 7.628 -2.121 8.115 1.00 0.00 C ATOM 0 H ALA A 30 8.197 -3.232 5.983 1.00 0.00 H new ATOM 0 HA ALA A 30 6.151 -3.660 8.019 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.101 -1.567 8.892 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.377 -2.767 8.574 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.118 -1.420 7.439 1.00 0.00 H new ATOM 474 N TYR A 31 4.362 -2.188 7.131 1.00 0.00 N ATOM 475 CA TYR A 31 3.289 -1.403 6.545 1.00 0.00 C ATOM 476 C TYR A 31 2.351 -0.828 7.603 1.00 0.00 C ATOM 477 O TYR A 31 2.329 -1.283 8.755 1.00 0.00 O ATOM 478 CB TYR A 31 2.487 -2.240 5.524 1.00 0.00 C ATOM 479 CG TYR A 31 1.876 -3.512 6.092 1.00 0.00 C ATOM 480 CD1 TYR A 31 0.647 -3.492 6.739 1.00 0.00 C ATOM 481 CD2 TYR A 31 2.534 -4.725 5.984 1.00 0.00 C ATOM 482 CE1 TYR A 31 0.094 -4.639 7.259 1.00 0.00 C ATOM 483 CE2 TYR A 31 1.987 -5.882 6.503 1.00 0.00 C ATOM 484 CZ TYR A 31 0.766 -5.833 7.141 1.00 0.00 C ATOM 485 OH TYR A 31 0.223 -6.987 7.678 1.00 0.00 O ATOM 0 H TYR A 31 4.073 -2.814 7.883 1.00 0.00 H new ATOM 0 HA TYR A 31 3.758 -0.566 6.028 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.689 -1.621 5.113 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.144 -2.506 4.696 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.115 -2.557 6.836 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.491 -4.767 5.486 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.863 -4.602 7.758 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.513 -6.820 6.409 1.00 0.00 H new ATOM 0 HH TYR A 31 0.839 -7.736 7.534 1.00 0.00 H new ATOM 495 N ASP A 32 1.575 0.142 7.192 1.00 0.00 N ATOM 496 CA ASP A 32 0.577 0.791 8.022 1.00 0.00 C ATOM 497 C ASP A 32 -0.765 0.618 7.344 1.00 0.00 C ATOM 498 O ASP A 32 -0.836 0.633 6.123 1.00 0.00 O ATOM 499 CB ASP A 32 0.908 2.279 8.182 1.00 0.00 C ATOM 500 CG ASP A 32 -0.101 3.024 9.022 1.00 0.00 C ATOM 501 OD1 ASP A 32 -0.047 2.924 10.255 1.00 0.00 O ATOM 502 OD2 ASP A 32 -0.964 3.710 8.472 1.00 0.00 O ATOM 0 H ASP A 32 1.617 0.517 6.244 1.00 0.00 H new ATOM 0 HA ASP A 32 0.559 0.346 9.017 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.894 2.379 8.636 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.963 2.741 7.196 1.00 0.00 H new ATOM 507 N GLU A 33 -1.803 0.411 8.095 1.00 0.00 N ATOM 508 CA GLU A 33 -3.107 0.164 7.516 1.00 0.00 C ATOM 509 C GLU A 33 -4.161 1.020 8.183 1.00 0.00 C ATOM 510 O GLU A 33 -4.105 1.259 9.396 1.00 0.00 O ATOM 511 CB GLU A 33 -3.464 -1.315 7.658 1.00 0.00 C ATOM 512 CG GLU A 33 -3.480 -1.812 9.097 1.00 0.00 C ATOM 513 CD GLU A 33 -3.922 -3.225 9.184 1.00 0.00 C ATOM 514 OE1 GLU A 33 -5.123 -3.487 9.072 1.00 0.00 O ATOM 515 OE2 GLU A 33 -3.068 -4.130 9.295 1.00 0.00 O ATOM 0 H GLU A 33 -1.782 0.406 9.115 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.073 0.426 6.459 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.445 -1.486 7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.749 -1.907 7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.483 -1.715 9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.145 -1.185 9.691 1.00 0.00 H new ATOM 522 N VAL A 34 -5.064 1.535 7.405 1.00 0.00 N ATOM 523 CA VAL A 34 -6.174 2.296 7.921 1.00 0.00 C ATOM 524 C VAL A 34 -7.427 1.905 7.134 1.00 0.00 C ATOM 525 O VAL A 34 -7.321 1.528 5.956 1.00 0.00 O ATOM 526 CB VAL A 34 -5.891 3.842 7.858 1.00 0.00 C ATOM 527 CG1 VAL A 34 -5.687 4.341 6.442 1.00 0.00 C ATOM 528 CG2 VAL A 34 -6.965 4.645 8.565 1.00 0.00 C ATOM 0 H VAL A 34 -5.057 1.442 6.389 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.326 2.066 8.975 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.953 3.996 8.391 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.495 5.414 6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.836 3.827 5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.582 4.141 5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.729 5.707 8.497 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.930 4.456 8.094 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.009 4.350 9.613 1.00 0.00 H new ATOM 538 N ASP A 35 -8.583 1.917 7.765 1.00 0.00 N ATOM 539 CA ASP A 35 -9.801 1.588 7.048 1.00 0.00 C ATOM 540 C ASP A 35 -10.269 2.810 6.282 1.00 0.00 C ATOM 541 O ASP A 35 -10.183 3.954 6.777 1.00 0.00 O ATOM 542 CB ASP A 35 -10.893 1.114 8.017 1.00 0.00 C ATOM 543 CG ASP A 35 -12.175 0.717 7.319 1.00 0.00 C ATOM 544 OD1 ASP A 35 -12.327 -0.475 6.951 1.00 0.00 O ATOM 545 OD2 ASP A 35 -13.059 1.572 7.144 1.00 0.00 O ATOM 0 H ASP A 35 -8.707 2.145 8.751 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.598 0.775 6.351 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.519 0.264 8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.107 1.909 8.731 1.00 0.00 H new ATOM 550 N ILE A 36 -10.764 2.589 5.094 1.00 0.00 N ATOM 551 CA ILE A 36 -11.179 3.677 4.251 1.00 0.00 C ATOM 552 C ILE A 36 -12.576 4.161 4.548 1.00 0.00 C ATOM 553 O ILE A 36 -12.845 5.335 4.472 1.00 0.00 O ATOM 554 CB ILE A 36 -11.004 3.380 2.755 1.00 0.00 C ATOM 555 CG1 ILE A 36 -11.908 2.231 2.282 1.00 0.00 C ATOM 556 CG2 ILE A 36 -9.550 3.064 2.492 1.00 0.00 C ATOM 557 CD1 ILE A 36 -11.874 2.005 0.780 1.00 0.00 C ATOM 0 H ILE A 36 -10.890 1.662 4.687 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.500 4.493 4.499 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.304 4.261 2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.606 1.313 2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.934 2.439 2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.410 2.851 1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.935 3.919 2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.255 2.195 3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.536 1.179 0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.205 2.909 0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.857 1.765 0.471 1.00 0.00 H new ATOM 569 N GLU A 37 -13.443 3.273 4.967 1.00 0.00 N ATOM 570 CA GLU A 37 -14.829 3.628 5.167 1.00 0.00 C ATOM 571 C GLU A 37 -15.020 4.438 6.425 1.00 0.00 C ATOM 572 O GLU A 37 -16.063 5.060 6.621 1.00 0.00 O ATOM 573 CB GLU A 37 -15.728 2.402 5.115 1.00 0.00 C ATOM 574 CG GLU A 37 -15.861 1.828 3.711 1.00 0.00 C ATOM 575 CD GLU A 37 -16.615 2.760 2.771 1.00 0.00 C ATOM 576 OE1 GLU A 37 -16.034 3.735 2.261 1.00 0.00 O ATOM 577 OE2 GLU A 37 -17.821 2.518 2.518 1.00 0.00 O ATOM 0 H GLU A 37 -13.216 2.301 5.176 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.131 4.271 4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -15.329 1.636 5.780 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -16.717 2.666 5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -14.868 1.633 3.306 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -16.379 0.870 3.761 1.00 0.00 H new ATOM 584 N HIS A 38 -14.018 4.436 7.273 1.00 0.00 N ATOM 585 CA HIS A 38 -14.023 5.282 8.441 1.00 0.00 C ATOM 586 C HIS A 38 -13.552 6.701 8.053 1.00 0.00 C ATOM 587 O HIS A 38 -13.951 7.686 8.662 1.00 0.00 O ATOM 588 CB HIS A 38 -13.130 4.691 9.553 1.00 0.00 C ATOM 589 CG HIS A 38 -13.194 5.445 10.862 1.00 0.00 C ATOM 590 ND1 HIS A 38 -12.158 6.194 11.379 1.00 0.00 N ATOM 591 CD2 HIS A 38 -14.204 5.544 11.759 1.00 0.00 C ATOM 592 CE1 HIS A 38 -12.560 6.710 12.540 1.00 0.00 C ATOM 593 NE2 HIS A 38 -13.798 6.348 12.821 1.00 0.00 N ATOM 0 H HIS A 38 -13.186 3.855 7.174 1.00 0.00 H new ATOM 0 HA HIS A 38 -15.039 5.340 8.831 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -13.423 3.656 9.728 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.097 4.676 9.205 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -15.172 5.074 11.665 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -11.952 7.342 13.170 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -14.343 6.604 13.644 1.00 0.00 H new ATOM 601 N ASN A 39 -12.762 6.803 6.992 1.00 0.00 N ATOM 602 CA ASN A 39 -12.211 8.096 6.571 1.00 0.00 C ATOM 603 C ASN A 39 -12.664 8.413 5.165 1.00 0.00 C ATOM 604 O ASN A 39 -12.035 7.981 4.196 1.00 0.00 O ATOM 605 CB ASN A 39 -10.672 8.103 6.602 1.00 0.00 C ATOM 606 CG ASN A 39 -10.074 7.784 7.949 1.00 0.00 C ATOM 607 OD1 ASN A 39 -9.871 8.671 8.784 1.00 0.00 O ATOM 608 ND2 ASN A 39 -9.756 6.537 8.166 1.00 0.00 N ATOM 0 H ASN A 39 -12.486 6.014 6.407 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.576 8.846 7.272 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.303 7.381 5.874 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.319 9.084 6.285 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.324 6.267 9.050 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.939 5.832 7.452 1.00 0.00 H new ATOM 615 N ARG A 40 -13.747 9.159 5.051 1.00 0.00 N ATOM 616 CA ARG A 40 -14.358 9.479 3.764 1.00 0.00 C ATOM 617 C ARG A 40 -13.364 10.064 2.738 1.00 0.00 C ATOM 618 O ARG A 40 -13.341 9.627 1.590 1.00 0.00 O ATOM 619 CB ARG A 40 -15.558 10.404 3.942 1.00 0.00 C ATOM 620 CG ARG A 40 -16.220 10.765 2.637 1.00 0.00 C ATOM 621 CD ARG A 40 -17.410 11.662 2.828 1.00 0.00 C ATOM 622 NE ARG A 40 -17.962 12.069 1.539 1.00 0.00 N ATOM 623 CZ ARG A 40 -18.942 12.957 1.370 1.00 0.00 C ATOM 624 NH1 ARG A 40 -19.563 13.487 2.425 1.00 0.00 N ATOM 625 NH2 ARG A 40 -19.305 13.308 0.148 1.00 0.00 N ATOM 0 H ARG A 40 -14.234 9.565 5.850 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.700 8.530 3.351 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.288 9.922 4.593 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.236 11.316 4.444 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.496 11.260 1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.533 9.854 2.127 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.173 11.143 3.408 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.119 12.544 3.399 1.00 0.00 H new ATOM 0 HE ARG A 40 -17.567 11.640 0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -19.289 13.213 3.369 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -20.312 14.166 2.288 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -18.836 12.900 -0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -20.054 13.987 0.014 1.00 0.00 H new ATOM 639 N ALA A 41 -12.531 11.008 3.160 1.00 0.00 N ATOM 640 CA ALA A 41 -11.559 11.629 2.255 1.00 0.00 C ATOM 641 C ALA A 41 -10.559 10.601 1.739 1.00 0.00 C ATOM 642 O ALA A 41 -10.201 10.610 0.559 1.00 0.00 O ATOM 643 CB ALA A 41 -10.835 12.772 2.937 1.00 0.00 C ATOM 0 H ALA A 41 -12.505 11.362 4.116 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.109 12.030 1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.120 13.215 2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.557 13.528 3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.306 12.397 3.813 1.00 0.00 H new ATOM 649 N ALA A 42 -10.151 9.690 2.611 1.00 0.00 N ATOM 650 CA ALA A 42 -9.208 8.647 2.237 1.00 0.00 C ATOM 651 C ALA A 42 -9.872 7.679 1.277 1.00 0.00 C ATOM 652 O ALA A 42 -9.280 7.280 0.283 1.00 0.00 O ATOM 653 CB ALA A 42 -8.680 7.905 3.464 1.00 0.00 C ATOM 0 H ALA A 42 -10.459 9.652 3.583 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.355 9.116 1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.978 7.133 3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.173 8.608 4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.512 7.444 3.996 1.00 0.00 H new ATOM 659 N ALA A 43 -11.122 7.352 1.567 1.00 0.00 N ATOM 660 CA ALA A 43 -11.917 6.441 0.752 1.00 0.00 C ATOM 661 C ALA A 43 -12.203 7.016 -0.627 1.00 0.00 C ATOM 662 O ALA A 43 -12.254 6.290 -1.622 1.00 0.00 O ATOM 663 CB ALA A 43 -13.207 6.111 1.454 1.00 0.00 C ATOM 0 H ALA A 43 -11.619 7.714 2.381 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.336 5.529 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.793 5.430 0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.989 5.637 2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -13.774 7.027 1.623 1.00 0.00 H new ATOM 669 N GLU A 44 -12.391 8.311 -0.682 1.00 0.00 N ATOM 670 CA GLU A 44 -12.638 8.994 -1.924 1.00 0.00 C ATOM 671 C GLU A 44 -11.356 8.997 -2.755 1.00 0.00 C ATOM 672 O GLU A 44 -11.380 8.805 -3.974 1.00 0.00 O ATOM 673 CB GLU A 44 -13.108 10.417 -1.641 1.00 0.00 C ATOM 674 CG GLU A 44 -13.676 11.125 -2.846 1.00 0.00 C ATOM 675 CD GLU A 44 -14.885 10.407 -3.395 1.00 0.00 C ATOM 676 OE1 GLU A 44 -15.986 10.593 -2.870 1.00 0.00 O ATOM 677 OE2 GLU A 44 -14.755 9.623 -4.360 1.00 0.00 O ATOM 0 H GLU A 44 -12.377 8.921 0.135 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.419 8.482 -2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.865 10.390 -0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.269 10.996 -1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.950 12.144 -2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.912 11.196 -3.620 1.00 0.00 H new ATOM 684 N PHE A 45 -10.243 9.177 -2.071 1.00 0.00 N ATOM 685 CA PHE A 45 -8.930 9.158 -2.678 1.00 0.00 C ATOM 686 C PHE A 45 -8.650 7.783 -3.296 1.00 0.00 C ATOM 687 O PHE A 45 -8.446 7.666 -4.510 1.00 0.00 O ATOM 688 CB PHE A 45 -7.875 9.516 -1.616 1.00 0.00 C ATOM 689 CG PHE A 45 -6.450 9.431 -2.079 1.00 0.00 C ATOM 690 CD1 PHE A 45 -5.918 10.394 -2.916 1.00 0.00 C ATOM 691 CD2 PHE A 45 -5.635 8.391 -1.654 1.00 0.00 C ATOM 692 CE1 PHE A 45 -4.604 10.322 -3.325 1.00 0.00 C ATOM 693 CE2 PHE A 45 -4.327 8.316 -2.060 1.00 0.00 C ATOM 694 CZ PHE A 45 -3.808 9.283 -2.896 1.00 0.00 C ATOM 0 H PHE A 45 -10.227 9.343 -1.065 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.885 9.896 -3.479 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.066 10.530 -1.264 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.003 8.852 -0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.539 11.211 -3.253 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.035 7.633 -0.997 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.199 11.079 -3.981 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.704 7.500 -1.725 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.778 9.225 -3.214 1.00 0.00 H new ATOM 704 N VAL A 46 -8.703 6.748 -2.465 1.00 0.00 N ATOM 705 CA VAL A 46 -8.443 5.381 -2.906 1.00 0.00 C ATOM 706 C VAL A 46 -9.450 4.915 -3.967 1.00 0.00 C ATOM 707 O VAL A 46 -9.078 4.238 -4.911 1.00 0.00 O ATOM 708 CB VAL A 46 -8.346 4.379 -1.705 1.00 0.00 C ATOM 709 CG1 VAL A 46 -9.547 4.433 -0.864 1.00 0.00 C ATOM 710 CG2 VAL A 46 -8.168 2.969 -2.159 1.00 0.00 C ATOM 0 H VAL A 46 -8.926 6.831 -1.473 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.464 5.389 -3.385 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.471 4.688 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.447 3.726 -0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.667 5.440 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.421 4.173 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.106 2.312 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.017 2.676 -2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.251 2.888 -2.742 1.00 0.00 H new ATOM 720 N GLY A 47 -10.700 5.353 -3.844 1.00 0.00 N ATOM 721 CA GLY A 47 -11.718 4.990 -4.811 1.00 0.00 C ATOM 722 C GLY A 47 -11.439 5.557 -6.190 1.00 0.00 C ATOM 723 O GLY A 47 -11.831 4.974 -7.197 1.00 0.00 O ATOM 0 H GLY A 47 -11.026 5.955 -3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.783 3.904 -4.875 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.688 5.347 -4.464 1.00 0.00 H new ATOM 727 N SER A 48 -10.742 6.673 -6.227 1.00 0.00 N ATOM 728 CA SER A 48 -10.412 7.334 -7.469 1.00 0.00 C ATOM 729 C SER A 48 -9.162 6.728 -8.113 1.00 0.00 C ATOM 730 O SER A 48 -9.065 6.640 -9.329 1.00 0.00 O ATOM 731 CB SER A 48 -10.207 8.821 -7.215 1.00 0.00 C ATOM 732 OG SER A 48 -11.361 9.393 -6.593 1.00 0.00 O ATOM 0 H SER A 48 -10.389 7.147 -5.396 1.00 0.00 H new ATOM 0 HA SER A 48 -11.240 7.192 -8.163 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.334 8.969 -6.579 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.005 9.331 -8.157 1.00 0.00 H new ATOM 0 HG SER A 48 -11.246 9.384 -5.620 1.00 0.00 H new ATOM 738 N VAL A 49 -8.222 6.291 -7.292 1.00 0.00 N ATOM 739 CA VAL A 49 -6.963 5.724 -7.789 1.00 0.00 C ATOM 740 C VAL A 49 -7.057 4.212 -7.880 1.00 0.00 C ATOM 741 O VAL A 49 -6.060 3.508 -8.092 1.00 0.00 O ATOM 742 CB VAL A 49 -5.763 6.118 -6.894 1.00 0.00 C ATOM 743 CG1 VAL A 49 -5.589 7.612 -6.898 1.00 0.00 C ATOM 744 CG2 VAL A 49 -5.960 5.634 -5.473 1.00 0.00 C ATOM 0 H VAL A 49 -8.300 6.315 -6.275 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.795 6.137 -8.784 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.869 5.644 -7.299 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.743 7.881 -6.266 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.405 7.954 -7.916 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.493 8.085 -6.514 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.102 5.925 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.864 6.080 -5.059 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.056 4.548 -5.468 1.00 0.00 H new ATOM 754 N ASN A 50 -8.245 3.727 -7.725 1.00 0.00 N ATOM 755 CA ASN A 50 -8.505 2.321 -7.778 1.00 0.00 C ATOM 756 C ASN A 50 -8.753 1.908 -9.213 1.00 0.00 C ATOM 757 O ASN A 50 -8.658 2.729 -10.142 1.00 0.00 O ATOM 758 CB ASN A 50 -9.753 1.973 -6.961 1.00 0.00 C ATOM 759 CG ASN A 50 -9.484 0.988 -5.857 1.00 0.00 C ATOM 760 OD1 ASN A 50 -10.308 0.131 -5.560 1.00 0.00 O ATOM 761 ND2 ASN A 50 -8.393 1.131 -5.197 1.00 0.00 N ATOM 0 H ASN A 50 -9.072 4.299 -7.556 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.641 1.798 -7.369 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.164 2.887 -6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.513 1.564 -7.627 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.194 0.523 -4.403 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.725 1.853 -5.467 1.00 0.00 H new ATOM 768 N GLY A 51 -9.098 0.662 -9.405 1.00 0.00 N ATOM 769 CA GLY A 51 -9.420 0.183 -10.713 1.00 0.00 C ATOM 770 C GLY A 51 -10.871 0.439 -11.040 1.00 0.00 C ATOM 771 O GLY A 51 -11.664 -0.496 -11.135 1.00 0.00 O ATOM 0 H GLY A 51 -9.162 -0.038 -8.666 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.785 0.674 -11.451 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.213 -0.885 -10.774 1.00 0.00 H new ATOM 775 N GLY A 52 -11.220 1.697 -11.167 1.00 0.00 N ATOM 776 CA GLY A 52 -12.573 2.073 -11.483 1.00 0.00 C ATOM 777 C GLY A 52 -13.285 2.631 -10.279 1.00 0.00 C ATOM 778 O GLY A 52 -13.587 3.826 -10.218 1.00 0.00 O ATOM 0 H GLY A 52 -10.578 2.482 -11.055 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.569 2.815 -12.281 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.115 1.205 -11.858 1.00 0.00 H new ATOM 782 N ASN A 53 -13.514 1.794 -9.308 1.00 0.00 N ATOM 783 CA ASN A 53 -14.196 2.200 -8.100 1.00 0.00 C ATOM 784 C ASN A 53 -13.544 1.488 -6.934 1.00 0.00 C ATOM 785 O ASN A 53 -12.822 0.517 -7.156 1.00 0.00 O ATOM 786 CB ASN A 53 -15.695 1.857 -8.185 1.00 0.00 C ATOM 787 CG ASN A 53 -16.500 2.492 -7.069 1.00 0.00 C ATOM 788 OD1 ASN A 53 -16.146 3.552 -6.565 1.00 0.00 O ATOM 789 ND2 ASN A 53 -17.563 1.863 -6.677 1.00 0.00 N ATOM 0 H ASN A 53 -13.237 0.813 -9.325 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.118 3.279 -7.966 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.087 2.190 -9.146 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.819 0.775 -8.148 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -18.136 2.248 -5.926 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -17.827 0.983 -7.120 1.00 0.00 H new ATOM 796 N ARG A 54 -13.762 1.981 -5.715 1.00 0.00 N ATOM 797 CA ARG A 54 -13.164 1.395 -4.511 1.00 0.00 C ATOM 798 C ARG A 54 -13.539 -0.087 -4.348 1.00 0.00 C ATOM 799 O ARG A 54 -14.711 -0.437 -4.175 1.00 0.00 O ATOM 800 CB ARG A 54 -13.487 2.194 -3.200 1.00 0.00 C ATOM 801 CG ARG A 54 -14.974 2.310 -2.808 1.00 0.00 C ATOM 802 CD ARG A 54 -15.714 3.418 -3.555 1.00 0.00 C ATOM 803 NE ARG A 54 -15.261 4.763 -3.151 1.00 0.00 N ATOM 804 CZ ARG A 54 -15.310 5.890 -3.904 1.00 0.00 C ATOM 805 NH1 ARG A 54 -15.669 5.844 -5.188 1.00 0.00 N ATOM 806 NH2 ARG A 54 -14.997 7.061 -3.350 1.00 0.00 N ATOM 0 H ARG A 54 -14.353 2.792 -5.533 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.087 1.464 -4.663 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.953 1.723 -2.374 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.084 3.201 -3.307 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.469 1.358 -3.002 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.046 2.494 -1.736 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.564 3.293 -4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.784 3.326 -3.370 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.872 4.854 -2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.912 4.952 -5.618 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.701 6.701 -5.740 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.724 7.104 -2.368 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.031 7.914 -3.908 1.00 0.00 H new ATOM 820 N THR A 55 -12.549 -0.934 -4.447 1.00 0.00 N ATOM 821 CA THR A 55 -12.727 -2.356 -4.295 1.00 0.00 C ATOM 822 C THR A 55 -11.374 -3.046 -3.995 1.00 0.00 C ATOM 823 O THR A 55 -11.320 -4.046 -3.273 1.00 0.00 O ATOM 824 CB THR A 55 -13.431 -2.995 -5.554 1.00 0.00 C ATOM 825 OG1 THR A 55 -13.675 -4.392 -5.352 1.00 0.00 O ATOM 826 CG2 THR A 55 -12.606 -2.805 -6.828 1.00 0.00 C ATOM 0 H THR A 55 -11.587 -0.655 -4.637 1.00 0.00 H new ATOM 0 HA THR A 55 -13.388 -2.519 -3.444 1.00 0.00 H new ATOM 0 HB THR A 55 -14.381 -2.475 -5.678 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.113 -4.766 -6.145 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.127 -3.260 -7.670 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.470 -1.740 -7.018 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.632 -3.279 -6.705 1.00 0.00 H new ATOM 834 N VAL A 56 -10.285 -2.492 -4.506 1.00 0.00 N ATOM 835 CA VAL A 56 -8.969 -3.078 -4.308 1.00 0.00 C ATOM 836 C VAL A 56 -8.070 -2.206 -3.439 1.00 0.00 C ATOM 837 O VAL A 56 -8.236 -0.984 -3.393 1.00 0.00 O ATOM 838 CB VAL A 56 -8.244 -3.422 -5.642 1.00 0.00 C ATOM 839 CG1 VAL A 56 -8.838 -4.667 -6.275 1.00 0.00 C ATOM 840 CG2 VAL A 56 -8.317 -2.270 -6.629 1.00 0.00 C ATOM 0 H VAL A 56 -10.287 -1.636 -5.061 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.156 -4.015 -3.783 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.197 -3.606 -5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.315 -4.887 -7.206 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.732 -5.509 -5.591 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.895 -4.500 -6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.801 -2.545 -7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.361 -2.047 -6.852 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.842 -1.389 -6.196 1.00 0.00 H new ATOM 850 N PRO A 57 -7.112 -2.827 -2.719 1.00 0.00 N ATOM 851 CA PRO A 57 -6.171 -2.102 -1.874 1.00 0.00 C ATOM 852 C PRO A 57 -5.256 -1.192 -2.684 1.00 0.00 C ATOM 853 O PRO A 57 -4.835 -1.527 -3.793 1.00 0.00 O ATOM 854 CB PRO A 57 -5.347 -3.217 -1.205 1.00 0.00 C ATOM 855 CG PRO A 57 -5.493 -4.383 -2.115 1.00 0.00 C ATOM 856 CD PRO A 57 -6.872 -4.285 -2.670 1.00 0.00 C ATOM 0 HA PRO A 57 -6.683 -1.450 -1.167 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.302 -2.927 -1.095 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.722 -3.443 -0.207 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.747 -4.356 -2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.352 -5.321 -1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.941 -4.738 -3.659 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.599 -4.792 -2.035 1.00 0.00 H new ATOM 864 N THR A 58 -5.009 -0.039 -2.167 1.00 0.00 N ATOM 865 CA THR A 58 -4.095 0.874 -2.765 1.00 0.00 C ATOM 866 C THR A 58 -3.088 1.262 -1.694 1.00 0.00 C ATOM 867 O THR A 58 -3.471 1.465 -0.537 1.00 0.00 O ATOM 868 CB THR A 58 -4.841 2.123 -3.254 1.00 0.00 C ATOM 869 OG1 THR A 58 -5.935 1.678 -4.040 1.00 0.00 O ATOM 870 CG2 THR A 58 -3.963 2.982 -4.138 1.00 0.00 C ATOM 0 H THR A 58 -5.440 0.302 -1.308 1.00 0.00 H new ATOM 0 HA THR A 58 -3.599 0.419 -3.623 1.00 0.00 H new ATOM 0 HB THR A 58 -5.152 2.712 -2.391 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.773 1.898 -4.981 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.523 3.858 -4.466 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.085 3.302 -3.577 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.648 2.406 -5.008 1.00 0.00 H new ATOM 878 N VAL A 59 -1.832 1.306 -2.036 1.00 0.00 N ATOM 879 CA VAL A 59 -0.822 1.662 -1.067 1.00 0.00 C ATOM 880 C VAL A 59 -0.322 3.065 -1.294 1.00 0.00 C ATOM 881 O VAL A 59 -0.011 3.446 -2.425 1.00 0.00 O ATOM 882 CB VAL A 59 0.378 0.675 -1.052 1.00 0.00 C ATOM 883 CG1 VAL A 59 -0.066 -0.678 -0.585 1.00 0.00 C ATOM 884 CG2 VAL A 59 1.028 0.554 -2.416 1.00 0.00 C ATOM 0 H VAL A 59 -1.479 1.102 -2.971 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.308 1.603 -0.093 1.00 0.00 H new ATOM 0 HB VAL A 59 1.118 1.077 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.785 -1.359 -0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.474 -0.599 0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.833 -1.062 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.862 -0.146 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.296 0.190 -3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.394 1.531 -2.733 1.00 0.00 H new ATOM 894 N LYS A 60 -0.304 3.842 -0.248 1.00 0.00 N ATOM 895 CA LYS A 60 0.263 5.157 -0.306 1.00 0.00 C ATOM 896 C LYS A 60 1.594 5.093 0.371 1.00 0.00 C ATOM 897 O LYS A 60 1.669 4.777 1.551 1.00 0.00 O ATOM 898 CB LYS A 60 -0.586 6.181 0.430 1.00 0.00 C ATOM 899 CG LYS A 60 -0.099 7.617 0.219 1.00 0.00 C ATOM 900 CD LYS A 60 -0.721 8.585 1.205 1.00 0.00 C ATOM 901 CE LYS A 60 -0.153 8.404 2.611 1.00 0.00 C ATOM 902 NZ LYS A 60 1.288 8.760 2.689 1.00 0.00 N ATOM 0 H LYS A 60 -0.680 3.582 0.664 1.00 0.00 H new ATOM 0 HA LYS A 60 0.331 5.463 -1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.619 6.099 0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.580 5.953 1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.986 7.649 0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.336 7.933 -0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.545 9.608 0.871 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.801 8.438 1.227 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.716 9.023 3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.286 7.368 2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.586 8.785 3.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.849 8.050 2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.438 9.695 2.259 1.00 0.00 H new ATOM 916 N PHE A 61 2.614 5.389 -0.334 1.00 0.00 N ATOM 917 CA PHE A 61 3.936 5.334 0.215 1.00 0.00 C ATOM 918 C PHE A 61 4.220 6.543 1.064 1.00 0.00 C ATOM 919 O PHE A 61 3.412 7.503 1.106 1.00 0.00 O ATOM 920 CB PHE A 61 4.967 5.201 -0.886 1.00 0.00 C ATOM 921 CG PHE A 61 4.893 3.903 -1.614 1.00 0.00 C ATOM 922 CD1 PHE A 61 3.953 3.708 -2.602 1.00 0.00 C ATOM 923 CD2 PHE A 61 5.762 2.873 -1.304 1.00 0.00 C ATOM 924 CE1 PHE A 61 3.881 2.525 -3.270 1.00 0.00 C ATOM 925 CE2 PHE A 61 5.695 1.677 -1.975 1.00 0.00 C ATOM 926 CZ PHE A 61 4.753 1.502 -2.958 1.00 0.00 C ATOM 0 H PHE A 61 2.571 5.678 -1.311 1.00 0.00 H new ATOM 0 HA PHE A 61 3.998 4.453 0.853 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.835 6.016 -1.598 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.963 5.312 -0.456 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.265 4.503 -2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.500 3.011 -0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.141 2.387 -4.045 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.380 0.878 -1.731 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.694 0.563 -3.488 1.00 0.00 H new ATOM 936 N ALA A 62 5.348 6.508 1.739 1.00 0.00 N ATOM 937 CA ALA A 62 5.807 7.605 2.570 1.00 0.00 C ATOM 938 C ALA A 62 6.055 8.856 1.732 1.00 0.00 C ATOM 939 O ALA A 62 5.960 9.977 2.231 1.00 0.00 O ATOM 940 CB ALA A 62 7.070 7.203 3.309 1.00 0.00 C ATOM 0 H ALA A 62 5.981 5.709 1.728 1.00 0.00 H new ATOM 0 HA ALA A 62 5.029 7.836 3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.408 8.032 3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.863 6.338 3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.848 6.949 2.589 1.00 0.00 H new ATOM 946 N ASP A 63 6.341 8.660 0.450 1.00 0.00 N ATOM 947 CA ASP A 63 6.583 9.779 -0.460 1.00 0.00 C ATOM 948 C ASP A 63 5.252 10.420 -0.881 1.00 0.00 C ATOM 949 O ASP A 63 5.219 11.551 -1.359 1.00 0.00 O ATOM 950 CB ASP A 63 7.369 9.336 -1.712 1.00 0.00 C ATOM 951 CG ASP A 63 6.539 8.551 -2.711 1.00 0.00 C ATOM 952 OD1 ASP A 63 5.917 9.162 -3.590 1.00 0.00 O ATOM 953 OD2 ASP A 63 6.494 7.317 -2.634 1.00 0.00 O ATOM 0 H ASP A 63 6.411 7.740 0.016 1.00 0.00 H new ATOM 0 HA ASP A 63 7.187 10.512 0.075 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.775 10.219 -2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.217 8.727 -1.400 1.00 0.00 H new ATOM 958 N GLY A 64 4.160 9.687 -0.692 1.00 0.00 N ATOM 959 CA GLY A 64 2.847 10.206 -1.013 1.00 0.00 C ATOM 960 C GLY A 64 2.213 9.547 -2.226 1.00 0.00 C ATOM 961 O GLY A 64 0.987 9.618 -2.398 1.00 0.00 O ATOM 0 H GLY A 64 4.163 8.737 -0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.192 10.071 -0.152 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.923 11.279 -1.191 1.00 0.00 H new ATOM 965 N SER A 65 3.016 8.913 -3.060 1.00 0.00 N ATOM 966 CA SER A 65 2.519 8.247 -4.257 1.00 0.00 C ATOM 967 C SER A 65 1.740 6.976 -3.905 1.00 0.00 C ATOM 968 O SER A 65 1.883 6.426 -2.801 1.00 0.00 O ATOM 969 CB SER A 65 3.681 7.932 -5.194 1.00 0.00 C ATOM 970 OG SER A 65 3.258 7.333 -6.405 1.00 0.00 O ATOM 0 H SER A 65 4.025 8.843 -2.931 1.00 0.00 H new ATOM 0 HA SER A 65 1.828 8.920 -4.765 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.222 8.852 -5.418 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.380 7.266 -4.688 1.00 0.00 H new ATOM 0 HG SER A 65 4.010 7.298 -7.033 1.00 0.00 H new ATOM 976 N THR A 66 0.930 6.528 -4.837 1.00 0.00 N ATOM 977 CA THR A 66 0.106 5.376 -4.663 1.00 0.00 C ATOM 978 C THR A 66 0.299 4.387 -5.782 1.00 0.00 C ATOM 979 O THR A 66 0.474 4.771 -6.937 1.00 0.00 O ATOM 980 CB THR A 66 -1.379 5.768 -4.633 1.00 0.00 C ATOM 981 OG1 THR A 66 -1.657 6.736 -5.670 1.00 0.00 O ATOM 982 CG2 THR A 66 -1.790 6.306 -3.283 1.00 0.00 C ATOM 0 H THR A 66 0.831 6.970 -5.751 1.00 0.00 H new ATOM 0 HA THR A 66 0.398 4.922 -3.716 1.00 0.00 H new ATOM 0 HB THR A 66 -1.966 4.868 -4.816 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.606 6.979 -5.645 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.847 6.572 -3.304 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.622 5.545 -2.521 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.198 7.191 -3.048 1.00 0.00 H new ATOM 990 N LEU A 67 0.282 3.133 -5.443 1.00 0.00 N ATOM 991 CA LEU A 67 0.271 2.081 -6.423 1.00 0.00 C ATOM 992 C LEU A 67 -0.956 1.224 -6.153 1.00 0.00 C ATOM 993 O LEU A 67 -1.147 0.742 -5.019 1.00 0.00 O ATOM 994 CB LEU A 67 1.570 1.216 -6.407 1.00 0.00 C ATOM 995 CG LEU A 67 2.912 1.925 -6.719 1.00 0.00 C ATOM 996 CD1 LEU A 67 4.080 0.938 -6.677 1.00 0.00 C ATOM 997 CD2 LEU A 67 2.868 2.600 -8.074 1.00 0.00 C ATOM 0 H LEU A 67 0.275 2.806 -4.477 1.00 0.00 H new ATOM 0 HA LEU A 67 0.233 2.523 -7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.655 0.756 -5.422 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.443 0.407 -7.126 1.00 0.00 H new ATOM 0 HG LEU A 67 3.064 2.683 -5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.009 1.464 -6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.144 0.492 -5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.920 0.154 -7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.822 3.090 -8.268 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.680 1.854 -8.846 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.070 3.343 -8.085 1.00 0.00 H new ATOM 1009 N THR A 68 -1.828 1.132 -7.136 1.00 0.00 N ATOM 1010 CA THR A 68 -3.017 0.313 -7.064 1.00 0.00 C ATOM 1011 C THR A 68 -2.567 -1.157 -6.963 1.00 0.00 C ATOM 1012 O THR A 68 -1.571 -1.508 -7.605 1.00 0.00 O ATOM 1013 CB THR A 68 -3.821 0.537 -8.354 1.00 0.00 C ATOM 1014 OG1 THR A 68 -3.805 1.956 -8.649 1.00 0.00 O ATOM 1015 CG2 THR A 68 -5.264 0.080 -8.181 1.00 0.00 C ATOM 0 H THR A 68 -1.728 1.632 -8.019 1.00 0.00 H new ATOM 0 HA THR A 68 -3.635 0.566 -6.203 1.00 0.00 H new ATOM 0 HB THR A 68 -3.375 -0.039 -9.164 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.660 2.355 -8.383 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.813 0.249 -9.108 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.282 -0.982 -7.937 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.731 0.646 -7.375 1.00 0.00 H new ATOM 1023 N ASN A 69 -3.323 -1.979 -6.184 1.00 0.00 N ATOM 1024 CA ASN A 69 -2.996 -3.402 -5.805 1.00 0.00 C ATOM 1025 C ASN A 69 -1.758 -4.009 -6.451 1.00 0.00 C ATOM 1026 O ASN A 69 -1.820 -4.667 -7.495 1.00 0.00 O ATOM 1027 CB ASN A 69 -4.202 -4.376 -5.920 1.00 0.00 C ATOM 1028 CG ASN A 69 -4.918 -4.400 -7.284 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -5.012 -3.392 -7.980 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -5.417 -5.551 -7.670 1.00 0.00 N ATOM 0 H ASN A 69 -4.208 -1.668 -5.784 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.743 -3.287 -4.751 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.853 -5.384 -5.697 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.931 -4.114 -5.153 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.897 -5.624 -8.567 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.325 -6.373 -7.073 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.597 -3.751 -5.839 1.00 0.00 N ATOM 1038 CA PRO A 70 0.665 -4.274 -6.277 1.00 0.00 C ATOM 1039 C PRO A 70 0.997 -5.576 -5.576 1.00 0.00 C ATOM 1040 O PRO A 70 0.154 -6.182 -4.900 1.00 0.00 O ATOM 1041 CB PRO A 70 1.660 -3.175 -5.851 1.00 0.00 C ATOM 1042 CG PRO A 70 0.890 -2.239 -4.962 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.416 -2.900 -4.666 1.00 0.00 C ATOM 0 HA PRO A 70 0.681 -4.497 -7.344 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.511 -3.603 -5.322 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.056 -2.650 -6.720 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.440 -2.040 -4.042 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.734 -1.279 -5.454 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.381 -3.479 -3.743 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.224 -2.177 -4.558 1.00 0.00 H new ATOM 1051 N SER A 71 2.186 -6.014 -5.766 1.00 0.00 N ATOM 1052 CA SER A 71 2.693 -7.158 -5.114 1.00 0.00 C ATOM 1053 C SER A 71 3.862 -6.703 -4.265 1.00 0.00 C ATOM 1054 O SER A 71 4.342 -5.570 -4.450 1.00 0.00 O ATOM 1055 CB SER A 71 3.129 -8.147 -6.170 1.00 0.00 C ATOM 1056 OG SER A 71 3.939 -7.496 -7.133 1.00 0.00 O ATOM 0 H SER A 71 2.852 -5.571 -6.399 1.00 0.00 H new ATOM 0 HA SER A 71 1.951 -7.641 -4.478 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.683 -8.965 -5.709 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.256 -8.586 -6.653 1.00 0.00 H new ATOM 0 HG SER A 71 4.846 -7.867 -7.102 1.00 0.00 H new ATOM 1062 N ALA A 72 4.321 -7.545 -3.364 1.00 0.00 N ATOM 1063 CA ALA A 72 5.427 -7.217 -2.477 1.00 0.00 C ATOM 1064 C ALA A 72 6.696 -6.869 -3.257 1.00 0.00 C ATOM 1065 O ALA A 72 7.424 -5.953 -2.888 1.00 0.00 O ATOM 1066 CB ALA A 72 5.677 -8.350 -1.514 1.00 0.00 C ATOM 0 H ALA A 72 3.939 -8.480 -3.222 1.00 0.00 H new ATOM 0 HA ALA A 72 5.148 -6.330 -1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.507 -8.092 -0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.782 -8.525 -0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.923 -9.254 -2.071 1.00 0.00 H new ATOM 1072 N ASP A 73 6.927 -7.556 -4.359 1.00 0.00 N ATOM 1073 CA ASP A 73 8.096 -7.282 -5.186 1.00 0.00 C ATOM 1074 C ASP A 73 7.954 -5.925 -5.882 1.00 0.00 C ATOM 1075 O ASP A 73 8.925 -5.176 -5.994 1.00 0.00 O ATOM 1076 CB ASP A 73 8.392 -8.426 -6.195 1.00 0.00 C ATOM 1077 CG ASP A 73 7.315 -8.647 -7.241 1.00 0.00 C ATOM 1078 OD1 ASP A 73 6.138 -8.847 -6.872 1.00 0.00 O ATOM 1079 OD2 ASP A 73 7.624 -8.676 -8.438 1.00 0.00 O ATOM 0 H ASP A 73 6.327 -8.305 -4.705 1.00 0.00 H new ATOM 0 HA ASP A 73 8.962 -7.235 -4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.332 -8.210 -6.702 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.535 -9.353 -5.640 1.00 0.00 H new ATOM 1084 N GLU A 74 6.736 -5.578 -6.277 1.00 0.00 N ATOM 1085 CA GLU A 74 6.478 -4.291 -6.919 1.00 0.00 C ATOM 1086 C GLU A 74 6.650 -3.135 -5.962 1.00 0.00 C ATOM 1087 O GLU A 74 7.278 -2.127 -6.304 1.00 0.00 O ATOM 1088 CB GLU A 74 5.094 -4.234 -7.545 1.00 0.00 C ATOM 1089 CG GLU A 74 4.970 -5.045 -8.802 1.00 0.00 C ATOM 1090 CD GLU A 74 5.969 -4.600 -9.841 1.00 0.00 C ATOM 1091 OE1 GLU A 74 5.899 -3.437 -10.282 1.00 0.00 O ATOM 1092 OE2 GLU A 74 6.832 -5.399 -10.233 1.00 0.00 O ATOM 0 H GLU A 74 5.911 -6.167 -6.165 1.00 0.00 H new ATOM 0 HA GLU A 74 7.221 -4.198 -7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.361 -4.588 -6.820 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.847 -3.196 -7.766 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.124 -6.100 -8.574 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.960 -4.950 -9.201 1.00 0.00 H new ATOM 1099 N VAL A 75 6.109 -3.276 -4.770 1.00 0.00 N ATOM 1100 CA VAL A 75 6.204 -2.222 -3.786 1.00 0.00 C ATOM 1101 C VAL A 75 7.629 -2.010 -3.292 1.00 0.00 C ATOM 1102 O VAL A 75 8.046 -0.871 -3.116 1.00 0.00 O ATOM 1103 CB VAL A 75 5.210 -2.365 -2.597 1.00 0.00 C ATOM 1104 CG1 VAL A 75 3.802 -2.058 -3.043 1.00 0.00 C ATOM 1105 CG2 VAL A 75 5.219 -3.755 -2.033 1.00 0.00 C ATOM 0 H VAL A 75 5.602 -4.106 -4.462 1.00 0.00 H new ATOM 0 HA VAL A 75 5.899 -1.323 -4.323 1.00 0.00 H new ATOM 0 HB VAL A 75 5.533 -1.659 -1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.122 -2.163 -2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.755 -1.037 -3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.511 -2.752 -3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.513 -3.816 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.931 -4.464 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.220 -3.996 -1.675 1.00 0.00 H new ATOM 1115 N LYS A 76 8.397 -3.096 -3.131 1.00 0.00 N ATOM 1116 CA LYS A 76 9.793 -2.988 -2.677 1.00 0.00 C ATOM 1117 C LYS A 76 10.650 -2.188 -3.635 1.00 0.00 C ATOM 1118 O LYS A 76 11.574 -1.497 -3.205 1.00 0.00 O ATOM 1119 CB LYS A 76 10.439 -4.352 -2.424 1.00 0.00 C ATOM 1120 CG LYS A 76 9.911 -5.081 -1.200 1.00 0.00 C ATOM 1121 CD LYS A 76 10.683 -6.372 -0.921 1.00 0.00 C ATOM 1122 CE LYS A 76 12.151 -6.091 -0.610 1.00 0.00 C ATOM 1123 NZ LYS A 76 12.891 -7.308 -0.247 1.00 0.00 N ATOM 0 H LYS A 76 8.081 -4.050 -3.306 1.00 0.00 H new ATOM 0 HA LYS A 76 9.744 -2.454 -1.728 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.285 -4.981 -3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.515 -4.216 -2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.977 -4.425 -0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.856 -5.314 -1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.226 -6.896 -0.081 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.613 -7.033 -1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.621 -5.629 -1.478 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.215 -5.373 0.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.882 -7.065 -0.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.461 -7.737 0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.855 -7.985 -1.036 1.00 0.00 H new ATOM 1137 N ALA A 77 10.322 -2.256 -4.915 1.00 0.00 N ATOM 1138 CA ALA A 77 11.064 -1.541 -5.940 1.00 0.00 C ATOM 1139 C ALA A 77 10.892 -0.033 -5.783 1.00 0.00 C ATOM 1140 O ALA A 77 11.827 0.739 -6.001 1.00 0.00 O ATOM 1141 CB ALA A 77 10.627 -1.991 -7.325 1.00 0.00 C ATOM 0 H ALA A 77 9.539 -2.805 -5.271 1.00 0.00 H new ATOM 0 HA ALA A 77 12.122 -1.774 -5.821 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.193 -1.445 -8.080 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.811 -3.060 -7.435 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.563 -1.791 -7.454 1.00 0.00 H new ATOM 1147 N LYS A 78 9.711 0.385 -5.377 1.00 0.00 N ATOM 1148 CA LYS A 78 9.460 1.795 -5.199 1.00 0.00 C ATOM 1149 C LYS A 78 9.950 2.222 -3.812 1.00 0.00 C ATOM 1150 O LYS A 78 10.603 3.265 -3.651 1.00 0.00 O ATOM 1151 CB LYS A 78 7.964 2.118 -5.346 1.00 0.00 C ATOM 1152 CG LYS A 78 7.715 3.593 -5.612 1.00 0.00 C ATOM 1153 CD LYS A 78 6.262 3.985 -5.522 1.00 0.00 C ATOM 1154 CE LYS A 78 6.064 5.440 -5.948 1.00 0.00 C ATOM 1155 NZ LYS A 78 6.850 6.416 -5.131 1.00 0.00 N ATOM 0 H LYS A 78 8.921 -0.225 -5.167 1.00 0.00 H new ATOM 0 HA LYS A 78 9.999 2.344 -5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.546 1.529 -6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.440 1.822 -4.437 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.287 4.184 -4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.089 3.843 -6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.664 3.331 -6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.907 3.849 -4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.347 5.545 -6.995 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.005 5.690 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.669 7.381 -5.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.564 6.343 -4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.864 6.203 -5.217 1.00 0.00 H new ATOM 1169 N LEU A 79 9.669 1.368 -2.833 1.00 0.00 N ATOM 1170 CA LEU A 79 9.971 1.598 -1.419 1.00 0.00 C ATOM 1171 C LEU A 79 11.472 1.748 -1.152 1.00 0.00 C ATOM 1172 O LEU A 79 11.879 2.598 -0.343 1.00 0.00 O ATOM 1173 CB LEU A 79 9.393 0.452 -0.569 1.00 0.00 C ATOM 1174 CG LEU A 79 9.540 0.574 0.950 1.00 0.00 C ATOM 1175 CD1 LEU A 79 8.762 1.770 1.477 1.00 0.00 C ATOM 1176 CD2 LEU A 79 9.079 -0.707 1.633 1.00 0.00 C ATOM 0 H LEU A 79 9.213 0.472 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 79 9.504 2.542 -1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.332 0.360 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.870 -0.477 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 79 10.594 0.730 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.883 1.835 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.140 2.682 1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.706 1.652 1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.190 -0.604 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.032 -0.892 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.685 -1.544 1.284 1.00 0.00 H new ATOM 1188 N VAL A 80 12.297 0.949 -1.838 1.00 0.00 N ATOM 1189 CA VAL A 80 13.754 0.986 -1.636 1.00 0.00 C ATOM 1190 C VAL A 80 14.323 2.382 -1.914 1.00 0.00 C ATOM 1191 O VAL A 80 15.177 2.861 -1.200 1.00 0.00 O ATOM 1192 CB VAL A 80 14.509 -0.105 -2.478 1.00 0.00 C ATOM 1193 CG1 VAL A 80 14.324 0.080 -3.976 1.00 0.00 C ATOM 1194 CG2 VAL A 80 15.990 -0.171 -2.110 1.00 0.00 C ATOM 0 H VAL A 80 11.985 0.272 -2.534 1.00 0.00 H new ATOM 0 HA VAL A 80 13.924 0.751 -0.585 1.00 0.00 H new ATOM 0 HB VAL A 80 14.054 -1.061 -2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.867 -0.701 -4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.264 0.018 -4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.708 1.056 -4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.481 -0.936 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.456 0.796 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.092 -0.420 -1.054 1.00 0.00 H new ATOM 1204 N LYS A 81 13.759 3.061 -2.885 1.00 0.00 N ATOM 1205 CA LYS A 81 14.232 4.378 -3.272 1.00 0.00 C ATOM 1206 C LYS A 81 13.796 5.443 -2.263 1.00 0.00 C ATOM 1207 O LYS A 81 14.371 6.525 -2.192 1.00 0.00 O ATOM 1208 CB LYS A 81 13.748 4.713 -4.674 1.00 0.00 C ATOM 1209 CG LYS A 81 14.268 3.751 -5.744 1.00 0.00 C ATOM 1210 CD LYS A 81 13.719 4.066 -7.133 1.00 0.00 C ATOM 1211 CE LYS A 81 12.209 3.861 -7.211 1.00 0.00 C ATOM 1212 NZ LYS A 81 11.686 4.128 -8.558 1.00 0.00 N ATOM 0 H LYS A 81 12.965 2.723 -3.428 1.00 0.00 H new ATOM 0 HA LYS A 81 15.322 4.367 -3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.658 4.703 -4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.060 5.727 -4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 81 15.357 3.795 -5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.997 2.731 -5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.959 5.097 -7.392 1.00 0.00 H new ATOM 0 HD3 LYS A 81 14.210 3.430 -7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.967 2.838 -6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.716 4.518 -6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.657 3.977 -8.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.894 5.112 -8.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.136 3.484 -9.239 1.00 0.00 H new ATOM 1226 N ILE A 82 12.787 5.136 -1.482 1.00 0.00 N ATOM 1227 CA ILE A 82 12.311 6.062 -0.468 1.00 0.00 C ATOM 1228 C ILE A 82 13.216 5.956 0.756 1.00 0.00 C ATOM 1229 O ILE A 82 13.722 6.966 1.268 1.00 0.00 O ATOM 1230 CB ILE A 82 10.860 5.746 -0.047 1.00 0.00 C ATOM 1231 CG1 ILE A 82 9.946 5.733 -1.271 1.00 0.00 C ATOM 1232 CG2 ILE A 82 10.364 6.764 0.985 1.00 0.00 C ATOM 1233 CD1 ILE A 82 8.524 5.343 -0.968 1.00 0.00 C ATOM 0 H ILE A 82 12.277 4.254 -1.525 1.00 0.00 H new ATOM 0 HA ILE A 82 12.332 7.069 -0.885 1.00 0.00 H new ATOM 0 HB ILE A 82 10.839 4.758 0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.951 6.723 -1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.353 5.041 -2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.339 6.524 1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 82 11.003 6.729 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.396 7.765 0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.939 5.357 -1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.505 4.340 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.097 6.049 -0.255 1.00 0.00 H new ATOM 1245 N ALA A 83 13.449 4.726 1.190 1.00 0.00 N ATOM 1246 CA ALA A 83 14.285 4.467 2.353 1.00 0.00 C ATOM 1247 C ALA A 83 15.745 4.754 2.038 1.00 0.00 C ATOM 1248 O ALA A 83 16.520 5.156 2.911 1.00 0.00 O ATOM 1249 CB ALA A 83 14.114 3.028 2.820 1.00 0.00 C ATOM 0 H ALA A 83 13.068 3.887 0.751 1.00 0.00 H new ATOM 0 HA ALA A 83 13.971 5.132 3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.746 2.850 3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.072 2.853 3.087 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.402 2.348 2.018 1.00 0.00 H new ATOM 1255 N GLY A 84 16.105 4.561 0.796 1.00 0.00 N ATOM 1256 CA GLY A 84 17.445 4.785 0.368 1.00 0.00 C ATOM 1257 C GLY A 84 18.174 3.486 0.340 1.00 0.00 C ATOM 1258 O GLY A 84 17.999 2.712 -0.596 1.00 0.00 O ATOM 0 H GLY A 84 15.473 4.245 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.452 5.241 -0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.943 5.481 1.043 1.00 0.00 H new ATOM 1262 N LEU A 85 18.958 3.238 1.387 1.00 0.00 N ATOM 1263 CA LEU A 85 19.717 1.990 1.601 1.00 0.00 C ATOM 1264 C LEU A 85 20.690 1.694 0.448 1.00 0.00 C ATOM 1265 O LEU A 85 21.890 1.972 0.529 1.00 0.00 O ATOM 1266 CB LEU A 85 18.759 0.793 1.821 1.00 0.00 C ATOM 1267 CG LEU A 85 17.767 0.907 2.990 1.00 0.00 C ATOM 1268 CD1 LEU A 85 16.831 -0.292 3.009 1.00 0.00 C ATOM 1269 CD2 LEU A 85 18.500 1.027 4.319 1.00 0.00 C ATOM 0 H LEU A 85 19.092 3.915 2.138 1.00 0.00 H new ATOM 0 HA LEU A 85 20.315 2.133 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 85 18.189 0.641 0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.362 -0.102 1.973 1.00 0.00 H new ATOM 0 HG LEU A 85 17.176 1.812 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 85 16.135 -0.197 3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 85 16.274 -0.333 2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 85 17.413 -1.206 3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.775 1.106 5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 85 19.121 0.144 4.473 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.130 1.916 4.308 1.00 0.00 H new ATOM 1281 N GLU A 86 20.146 1.196 -0.630 1.00 0.00 N ATOM 1282 CA GLU A 86 20.886 0.806 -1.804 1.00 0.00 C ATOM 1283 C GLU A 86 21.046 1.984 -2.751 1.00 0.00 C ATOM 1284 O GLU A 86 21.763 1.901 -3.756 1.00 0.00 O ATOM 1285 CB GLU A 86 20.142 -0.322 -2.516 1.00 0.00 C ATOM 1286 CG GLU A 86 20.018 -1.589 -1.700 1.00 0.00 C ATOM 1287 CD GLU A 86 21.359 -2.161 -1.349 1.00 0.00 C ATOM 1288 OE1 GLU A 86 21.998 -2.763 -2.222 1.00 0.00 O ATOM 1289 OE2 GLU A 86 21.795 -2.028 -0.195 1.00 0.00 O ATOM 0 H GLU A 86 19.141 1.045 -0.720 1.00 0.00 H new ATOM 0 HA GLU A 86 21.876 0.466 -1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.144 0.026 -2.781 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.658 -0.552 -3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.462 -1.379 -0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.444 -2.327 -2.260 1.00 0.00 H new ATOM 1296 N HIS A 87 20.378 3.059 -2.443 1.00 0.00 N ATOM 1297 CA HIS A 87 20.414 4.240 -3.259 1.00 0.00 C ATOM 1298 C HIS A 87 20.558 5.450 -2.342 1.00 0.00 C ATOM 1299 O HIS A 87 20.277 5.361 -1.136 1.00 0.00 O ATOM 1300 CB HIS A 87 19.108 4.332 -4.081 1.00 0.00 C ATOM 1301 CG HIS A 87 19.127 5.346 -5.194 1.00 0.00 C ATOM 1302 ND1 HIS A 87 18.690 6.648 -5.071 1.00 0.00 N ATOM 1303 CD2 HIS A 87 19.532 5.210 -6.478 1.00 0.00 C ATOM 1304 CE1 HIS A 87 18.838 7.248 -6.257 1.00 0.00 C ATOM 1305 NE2 HIS A 87 19.349 6.414 -7.148 1.00 0.00 N ATOM 0 H HIS A 87 19.790 3.142 -1.614 1.00 0.00 H new ATOM 0 HA HIS A 87 21.255 4.207 -3.951 1.00 0.00 H new ATOM 0 HB2 HIS A 87 18.894 3.352 -4.507 1.00 0.00 H new ATOM 0 HB3 HIS A 87 18.287 4.572 -3.405 1.00 0.00 H new ATOM 0 HD2 HIS A 87 19.934 4.307 -6.914 1.00 0.00 H new ATOM 0 HE1 HIS A 87 18.576 8.276 -6.460 1.00 0.00 H new ATOM 0 HE2 HIS A 87 19.564 6.613 -8.125 1.00 0.00 H new ATOM 1313 N HIS A 88 21.016 6.545 -2.885 1.00 0.00 N ATOM 1314 CA HIS A 88 21.148 7.763 -2.137 1.00 0.00 C ATOM 1315 C HIS A 88 19.833 8.518 -2.235 1.00 0.00 C ATOM 1316 O HIS A 88 18.998 8.404 -1.310 1.00 0.00 O ATOM 1317 CB HIS A 88 22.317 8.610 -2.680 1.00 0.00 C ATOM 1318 CG HIS A 88 22.521 9.911 -1.956 1.00 0.00 C ATOM 1319 ND1 HIS A 88 22.128 11.132 -2.453 1.00 0.00 N ATOM 1320 CD2 HIS A 88 23.081 10.161 -0.751 1.00 0.00 C ATOM 1321 CE1 HIS A 88 22.448 12.065 -1.564 1.00 0.00 C ATOM 1322 NE2 HIS A 88 23.030 11.531 -0.503 1.00 0.00 N ATOM 0 H HIS A 88 21.308 6.617 -3.860 1.00 0.00 H new ATOM 0 HA HIS A 88 21.370 7.543 -1.093 1.00 0.00 H new ATOM 0 HB2 HIS A 88 23.235 8.025 -2.619 1.00 0.00 H new ATOM 0 HB3 HIS A 88 22.141 8.818 -3.736 1.00 0.00 H new ATOM 0 HD2 HIS A 88 23.500 9.419 -0.088 1.00 0.00 H new ATOM 0 HE1 HIS A 88 22.258 13.121 -1.691 1.00 0.00 H new ATOM 0 HE2 HIS A 88 23.371 12.020 0.325 1.00 0.00 H new TER 1330 HIS A 88