USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 789 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 Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0369 USER MOD Single : A 19 ASN : amide:sc= -1.25 K(o=-1.3,f=-5.6!) USER MOD Single : A 23 SER OG : rot -73:sc= -0.178 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -78:sc= 1.15 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -140:sc= -0.523 (180deg=-3.61!) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -1.43 F(o=-2.2,f=-1.4) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -176:sc= -0.685 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.87 K(o=-1.9,f=-3.9!) USER MOD Single : A 51 THR OG1 : rot 70:sc= 0.764 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 165:sc= -0.568 (180deg=-1.11!) USER MOD Single : A 58 MET CE :methyl 159:sc= -0.576 (180deg=-1.48!) USER MOD Single : A 59 MET CE :methyl -124:sc= -1.24 (180deg=-3.22) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HE2:sc= -1.63 K(o=-1.6,f=-5.2!) USER MOD Single : A 88 MET CE :methyl 167:sc= -3.13 (180deg=-4.56!) USER MOD Single : A 90 SER OG : rot -36:sc= 1.34 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 93 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.3!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -103:sc= -2.11 (180deg=-7.18!) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -162:sc= -0.357 (180deg=-1.28) USER MOD Single : A 103 THR OG1 : rot 101:sc= 1.19 USER MOD Single : A 105 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.0074) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 60:sc= -0.518 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 460 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 2.878 13.709 9.150 1.00 0.00 N ATOM 29 CA HIS A 3 3.487 12.404 8.921 1.00 0.00 C ATOM 30 C HIS A 3 2.723 11.310 9.659 1.00 0.00 C ATOM 31 O HIS A 3 3.320 10.391 10.221 1.00 0.00 O ATOM 32 CB HIS A 3 4.949 12.415 9.371 1.00 0.00 C ATOM 33 CG HIS A 3 5.843 13.225 8.484 1.00 0.00 C ATOM 34 ND1 HIS A 3 5.866 14.604 8.496 1.00 0.00 N ATOM 35 CD2 HIS A 3 6.750 12.844 7.554 1.00 0.00 C ATOM 36 CE1 HIS A 3 6.748 15.035 7.612 1.00 0.00 C ATOM 37 NE2 HIS A 3 7.298 13.987 7.027 1.00 0.00 N ATOM 0 HA HIS A 3 3.445 12.193 7.852 1.00 0.00 H new ATOM 0 HB2 HIS A 3 5.005 12.808 10.386 1.00 0.00 H new ATOM 0 HB3 HIS A 3 5.318 11.390 9.406 1.00 0.00 H new ATOM 0 HD2 HIS A 3 6.997 11.829 7.278 1.00 0.00 H new ATOM 0 HE1 HIS A 3 6.980 16.069 7.403 1.00 0.00 H new ATOM 0 HE2 HIS A 3 8.014 14.021 6.301 1.00 0.00 H new ATOM 46 N SER A 4 1.398 11.414 9.653 1.00 0.00 N ATOM 47 CA SER A 4 0.551 10.433 10.321 1.00 0.00 C ATOM 48 C SER A 4 -0.925 10.727 10.070 1.00 0.00 C ATOM 49 O SER A 4 -1.327 11.885 9.960 1.00 0.00 O ATOM 50 CB SER A 4 0.832 10.425 11.825 1.00 0.00 C ATOM 51 OG SER A 4 1.071 11.737 12.306 1.00 0.00 O ATOM 0 H SER A 4 0.888 12.168 9.193 1.00 0.00 H new ATOM 0 HA SER A 4 0.783 9.451 9.910 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.015 9.989 12.354 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.697 9.795 12.033 1.00 0.00 H new ATOM 0 HG SER A 4 1.246 11.705 13.270 1.00 0.00 H new ATOM 57 N GLY A 5 -1.726 9.671 9.979 1.00 0.00 N ATOM 58 CA GLY A 5 -3.148 9.838 9.741 1.00 0.00 C ATOM 59 C GLY A 5 -3.929 8.559 9.969 1.00 0.00 C ATOM 60 O GLY A 5 -3.348 7.480 10.078 1.00 0.00 O ATOM 0 H GLY A 5 -1.416 8.703 10.066 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.534 10.618 10.398 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.304 10.178 8.717 1.00 0.00 H new ATOM 64 N ALA A 6 -5.251 8.681 10.042 1.00 0.00 N ATOM 65 CA ALA A 6 -6.114 7.527 10.259 1.00 0.00 C ATOM 66 C ALA A 6 -5.975 6.516 9.126 1.00 0.00 C ATOM 67 O ALA A 6 -5.935 6.886 7.952 1.00 0.00 O ATOM 68 CB ALA A 6 -7.562 7.971 10.399 1.00 0.00 C ATOM 0 H ALA A 6 -5.747 9.568 9.954 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.803 7.041 11.184 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.196 7.099 10.561 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.654 8.649 11.247 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.875 8.483 9.489 1.00 0.00 H new ATOM 74 N ALA A 7 -5.902 5.239 9.486 1.00 0.00 N ATOM 75 CA ALA A 7 -5.768 4.173 8.500 1.00 0.00 C ATOM 76 C ALA A 7 -6.220 2.836 9.075 1.00 0.00 C ATOM 77 O ALA A 7 -5.707 2.384 10.099 1.00 0.00 O ATOM 78 CB ALA A 7 -4.330 4.082 8.014 1.00 0.00 C ATOM 0 H ALA A 7 -5.933 4.917 10.453 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.411 4.411 7.653 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.244 3.282 7.278 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.040 5.028 7.557 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.673 3.871 8.858 1.00 0.00 H new ATOM 84 N ILE A 8 -7.183 2.206 8.410 1.00 0.00 N ATOM 85 CA ILE A 8 -7.703 0.920 8.857 1.00 0.00 C ATOM 86 C ILE A 8 -7.058 -0.230 8.092 1.00 0.00 C ATOM 87 O ILE A 8 -7.269 -0.386 6.890 1.00 0.00 O ATOM 88 CB ILE A 8 -9.232 0.840 8.687 1.00 0.00 C ATOM 89 CG1 ILE A 8 -9.900 2.082 9.280 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.774 -0.422 9.342 1.00 0.00 C ATOM 91 CD1 ILE A 8 -9.823 3.297 8.382 1.00 0.00 C ATOM 0 H ILE A 8 -7.618 2.565 7.560 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.458 0.832 9.916 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.461 0.801 7.622 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -10.947 1.858 9.486 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.430 2.316 10.235 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -10.856 -0.463 9.213 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.319 -1.297 8.877 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.536 -0.411 10.406 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.317 4.139 8.866 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.778 3.547 8.196 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.318 3.082 7.435 1.00 0.00 H new ATOM 103 N PHE A 9 -6.270 -1.035 8.799 1.00 0.00 N ATOM 104 CA PHE A 9 -5.593 -2.173 8.188 1.00 0.00 C ATOM 105 C PHE A 9 -6.111 -3.486 8.766 1.00 0.00 C ATOM 106 O PHE A 9 -6.289 -3.615 9.977 1.00 0.00 O ATOM 107 CB PHE A 9 -4.082 -2.068 8.403 1.00 0.00 C ATOM 108 CG PHE A 9 -3.277 -2.845 7.400 1.00 0.00 C ATOM 109 CD1 PHE A 9 -3.565 -2.761 6.047 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.234 -3.660 7.811 1.00 0.00 C ATOM 111 CE1 PHE A 9 -2.826 -3.475 5.122 1.00 0.00 C ATOM 112 CE2 PHE A 9 -1.492 -4.376 6.890 1.00 0.00 C ATOM 113 CZ PHE A 9 -1.789 -4.283 5.544 1.00 0.00 C ATOM 0 H PHE A 9 -6.085 -0.920 9.795 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.803 -2.159 7.118 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.789 -1.019 8.358 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.840 -2.424 9.405 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.376 -2.131 5.712 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.998 -3.737 8.862 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.060 -3.401 4.070 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.681 -5.007 7.222 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.211 -4.842 4.823 1.00 0.00 H new ATOM 123 N GLU A 10 -6.351 -4.457 7.892 1.00 0.00 N ATOM 124 CA GLU A 10 -6.849 -5.761 8.316 1.00 0.00 C ATOM 125 C GLU A 10 -8.213 -5.630 8.987 1.00 0.00 C ATOM 126 O GLU A 10 -8.521 -6.351 9.935 1.00 0.00 O ATOM 127 CB GLU A 10 -5.857 -6.423 9.274 1.00 0.00 C ATOM 128 CG GLU A 10 -4.428 -6.436 8.757 1.00 0.00 C ATOM 129 CD GLU A 10 -3.718 -7.746 9.037 1.00 0.00 C ATOM 130 OE1 GLU A 10 -3.325 -7.971 10.201 1.00 0.00 O ATOM 131 OE2 GLU A 10 -3.555 -8.547 8.093 1.00 0.00 O ATOM 0 H GLU A 10 -6.209 -4.366 6.886 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.959 -6.386 7.430 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.884 -5.900 10.230 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.176 -7.448 9.462 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.433 -6.252 7.683 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.872 -5.620 9.218 1.00 0.00 H new ATOM 138 N LYS A 11 -9.026 -4.703 8.488 1.00 0.00 N ATOM 139 CA LYS A 11 -10.357 -4.477 9.038 1.00 0.00 C ATOM 140 C LYS A 11 -10.277 -4.021 10.492 1.00 0.00 C ATOM 141 O LYS A 11 -11.166 -4.308 11.293 1.00 0.00 O ATOM 142 CB LYS A 11 -11.199 -5.750 8.936 1.00 0.00 C ATOM 143 CG LYS A 11 -11.977 -5.862 7.635 1.00 0.00 C ATOM 144 CD LYS A 11 -13.001 -4.746 7.500 1.00 0.00 C ATOM 145 CE LYS A 11 -14.283 -5.242 6.851 1.00 0.00 C ATOM 146 NZ LYS A 11 -15.145 -5.979 7.816 1.00 0.00 N ATOM 0 H LYS A 11 -8.785 -4.097 7.704 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.832 -3.688 8.455 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.546 -6.617 9.035 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.898 -5.781 9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.286 -5.827 6.793 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.482 -6.827 7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.225 -4.336 8.485 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.581 -3.935 6.905 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.835 -4.395 6.444 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.037 -5.894 6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.009 -6.301 7.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.628 -6.802 8.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.401 -5.350 8.603 1.00 0.00 H new ATOM 160 N VAL A 12 -9.206 -3.308 10.824 1.00 0.00 N ATOM 161 CA VAL A 12 -9.010 -2.811 12.181 1.00 0.00 C ATOM 162 C VAL A 12 -8.684 -1.322 12.176 1.00 0.00 C ATOM 163 O VAL A 12 -7.928 -0.844 11.330 1.00 0.00 O ATOM 164 CB VAL A 12 -7.880 -3.570 12.902 1.00 0.00 C ATOM 165 CG1 VAL A 12 -7.789 -3.141 14.358 1.00 0.00 C ATOM 166 CG2 VAL A 12 -8.095 -5.072 12.795 1.00 0.00 C ATOM 0 H VAL A 12 -8.461 -3.061 10.173 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.945 -2.976 12.717 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.936 -3.324 12.416 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.985 -3.689 14.849 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.584 -2.072 14.410 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.733 -3.355 14.860 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.288 -5.593 13.310 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.048 -5.337 13.253 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.104 -5.364 11.745 1.00 0.00 H new ATOM 176 N SER A 13 -9.258 -0.593 13.126 1.00 0.00 N ATOM 177 CA SER A 13 -9.029 0.843 13.232 1.00 0.00 C ATOM 178 C SER A 13 -7.683 1.132 13.889 1.00 0.00 C ATOM 179 O SER A 13 -7.378 0.607 14.960 1.00 0.00 O ATOM 180 CB SER A 13 -10.153 1.504 14.032 1.00 0.00 C ATOM 181 OG SER A 13 -11.312 0.689 14.052 1.00 0.00 O ATOM 0 H SER A 13 -9.886 -0.973 13.834 1.00 0.00 H new ATOM 0 HA SER A 13 -9.018 1.259 12.224 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.817 1.689 15.052 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.394 2.473 13.595 1.00 0.00 H new ATOM 0 HG SER A 13 -12.015 1.133 14.571 1.00 0.00 H new ATOM 187 N GLY A 14 -6.881 1.970 13.240 1.00 0.00 N ATOM 188 CA GLY A 14 -5.577 2.313 13.777 1.00 0.00 C ATOM 189 C GLY A 14 -4.985 3.544 13.120 1.00 0.00 C ATOM 190 O GLY A 14 -5.470 3.998 12.083 1.00 0.00 O ATOM 0 H GLY A 14 -7.111 2.417 12.353 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.663 2.483 14.850 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.899 1.471 13.641 1.00 0.00 H new ATOM 194 N ILE A 15 -3.933 4.086 13.724 1.00 0.00 N ATOM 195 CA ILE A 15 -3.272 5.272 13.192 1.00 0.00 C ATOM 196 C ILE A 15 -1.941 4.910 12.543 1.00 0.00 C ATOM 197 O ILE A 15 -1.174 4.111 13.081 1.00 0.00 O ATOM 198 CB ILE A 15 -3.024 6.323 14.292 1.00 0.00 C ATOM 199 CG1 ILE A 15 -4.258 6.466 15.186 1.00 0.00 C ATOM 200 CG2 ILE A 15 -2.656 7.662 13.671 1.00 0.00 C ATOM 201 CD1 ILE A 15 -5.521 6.809 14.426 1.00 0.00 C ATOM 0 H ILE A 15 -3.520 3.723 14.583 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.939 5.696 12.442 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.191 5.988 14.910 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.413 5.534 15.729 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.070 7.241 15.929 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.484 8.394 14.460 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.750 7.550 13.076 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.470 8.003 13.032 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.354 6.894 15.124 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.386 7.757 13.905 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.734 6.023 13.701 1.00 0.00 H new ATOM 213 N ILE A 16 -1.671 5.502 11.384 1.00 0.00 N ATOM 214 CA ILE A 16 -0.431 5.239 10.665 1.00 0.00 C ATOM 215 C ILE A 16 0.578 6.366 10.879 1.00 0.00 C ATOM 216 O ILE A 16 0.200 7.517 11.098 1.00 0.00 O ATOM 217 CB ILE A 16 -0.693 5.040 9.151 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.230 3.956 8.589 1.00 0.00 C ATOM 219 CG2 ILE A 16 -0.518 6.343 8.380 1.00 0.00 C ATOM 220 CD1 ILE A 16 -0.506 2.873 7.831 1.00 0.00 C ATOM 0 H ILE A 16 -2.294 6.166 10.924 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.011 4.317 11.066 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.728 4.719 9.030 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.961 4.420 7.927 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.786 3.501 9.409 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.709 6.168 7.321 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.220 7.086 8.757 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.501 6.708 8.509 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.209 2.138 7.461 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.218 2.384 8.495 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.040 3.316 6.990 1.00 0.00 H new ATOM 232 N ALA A 17 1.861 6.027 10.814 1.00 0.00 N ATOM 233 CA ALA A 17 2.920 7.011 11.001 1.00 0.00 C ATOM 234 C ALA A 17 4.086 6.749 10.055 1.00 0.00 C ATOM 235 O ALA A 17 4.629 5.644 10.013 1.00 0.00 O ATOM 236 CB ALA A 17 3.398 7.003 12.445 1.00 0.00 C ATOM 0 H ALA A 17 2.192 5.079 10.633 1.00 0.00 H new ATOM 0 HA ALA A 17 2.513 7.995 10.770 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.189 7.743 12.571 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.566 7.246 13.105 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.783 6.014 12.695 1.00 0.00 H new ATOM 242 N ILE A 18 4.467 7.771 9.296 1.00 0.00 N ATOM 243 CA ILE A 18 5.570 7.652 8.351 1.00 0.00 C ATOM 244 C ILE A 18 6.863 8.202 8.943 1.00 0.00 C ATOM 245 O ILE A 18 6.875 9.277 9.541 1.00 0.00 O ATOM 246 CB ILE A 18 5.265 8.394 7.035 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.880 8.006 6.515 1.00 0.00 C ATOM 248 CG2 ILE A 18 6.333 8.089 5.996 1.00 0.00 C ATOM 249 CD1 ILE A 18 3.504 8.699 5.223 1.00 0.00 C ATOM 0 H ILE A 18 4.028 8.691 9.317 1.00 0.00 H new ATOM 0 HA ILE A 18 5.693 6.590 8.141 1.00 0.00 H new ATOM 0 HB ILE A 18 5.271 9.467 7.229 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.847 6.927 6.362 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.136 8.243 7.275 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.104 8.620 5.072 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.305 8.411 6.368 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.356 7.017 5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.510 8.377 4.913 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.504 9.778 5.376 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.227 8.442 4.449 1.00 0.00 H new ATOM 261 N ASN A 19 7.949 7.456 8.772 1.00 0.00 N ATOM 262 CA ASN A 19 9.249 7.868 9.290 1.00 0.00 C ATOM 263 C ASN A 19 10.236 8.109 8.153 1.00 0.00 C ATOM 264 O ASN A 19 10.598 7.185 7.425 1.00 0.00 O ATOM 265 CB ASN A 19 9.801 6.807 10.244 1.00 0.00 C ATOM 266 CG ASN A 19 10.994 7.307 11.036 1.00 0.00 C ATOM 267 OD1 ASN A 19 12.141 6.995 10.715 1.00 0.00 O ATOM 268 ND2 ASN A 19 10.728 8.086 12.077 1.00 0.00 N ATOM 0 H ASN A 19 7.955 6.563 8.279 1.00 0.00 H new ATOM 0 HA ASN A 19 9.115 8.802 9.835 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.015 6.497 10.933 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.091 5.925 9.673 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.490 8.452 12.648 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.762 8.319 12.306 1.00 0.00 H new ATOM 275 N GLU A 20 10.668 9.358 8.006 1.00 0.00 N ATOM 276 CA GLU A 20 11.613 9.720 6.957 1.00 0.00 C ATOM 277 C GLU A 20 13.027 9.839 7.516 1.00 0.00 C ATOM 278 O GLU A 20 13.837 10.624 7.022 1.00 0.00 O ATOM 279 CB GLU A 20 11.199 11.039 6.301 1.00 0.00 C ATOM 280 CG GLU A 20 10.021 10.901 5.350 1.00 0.00 C ATOM 281 CD GLU A 20 9.855 12.109 4.449 1.00 0.00 C ATOM 282 OE1 GLU A 20 9.870 13.244 4.969 1.00 0.00 O ATOM 283 OE2 GLU A 20 9.712 11.920 3.223 1.00 0.00 O ATOM 0 H GLU A 20 10.378 10.135 8.600 1.00 0.00 H new ATOM 0 HA GLU A 20 11.604 8.930 6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.945 11.758 7.079 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.050 11.447 5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.157 10.010 4.736 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.108 10.754 5.927 1.00 0.00 H new ATOM 290 N ASP A 21 13.318 9.055 8.549 1.00 0.00 N ATOM 291 CA ASP A 21 14.635 9.073 9.175 1.00 0.00 C ATOM 292 C ASP A 21 15.615 8.196 8.403 1.00 0.00 C ATOM 293 O ASP A 21 16.798 8.519 8.293 1.00 0.00 O ATOM 294 CB ASP A 21 14.539 8.596 10.626 1.00 0.00 C ATOM 295 CG ASP A 21 15.483 9.347 11.544 1.00 0.00 C ATOM 296 OD1 ASP A 21 15.687 10.559 11.324 1.00 0.00 O ATOM 297 OD2 ASP A 21 16.019 8.722 12.484 1.00 0.00 O ATOM 0 H ASP A 21 12.660 8.399 8.970 1.00 0.00 H new ATOM 0 HA ASP A 21 15.004 10.099 9.161 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.516 8.721 10.980 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.764 7.530 10.671 1.00 0.00 H new ATOM 302 N VAL A 22 15.114 7.087 7.869 1.00 0.00 N ATOM 303 CA VAL A 22 15.945 6.164 7.106 1.00 0.00 C ATOM 304 C VAL A 22 15.639 6.262 5.612 1.00 0.00 C ATOM 305 O VAL A 22 14.527 6.616 5.219 1.00 0.00 O ATOM 306 CB VAL A 22 15.753 4.710 7.590 1.00 0.00 C ATOM 307 CG1 VAL A 22 14.415 4.148 7.129 1.00 0.00 C ATOM 308 CG2 VAL A 22 16.905 3.830 7.128 1.00 0.00 C ATOM 0 H VAL A 22 14.137 6.806 7.951 1.00 0.00 H new ATOM 0 HA VAL A 22 16.985 6.448 7.270 1.00 0.00 H new ATOM 0 HB VAL A 22 15.750 4.717 8.680 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.309 3.123 7.485 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.606 4.758 7.532 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.371 4.160 6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.748 2.811 7.481 1.00 0.00 H new ATOM 0 HG22 VAL A 22 16.952 3.834 6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.841 4.214 7.533 1.00 0.00 H new ATOM 318 N SER A 23 16.636 5.961 4.787 1.00 0.00 N ATOM 319 CA SER A 23 16.481 6.030 3.334 1.00 0.00 C ATOM 320 C SER A 23 15.227 5.288 2.861 1.00 0.00 C ATOM 321 O SER A 23 14.354 5.884 2.230 1.00 0.00 O ATOM 322 CB SER A 23 17.723 5.469 2.634 1.00 0.00 C ATOM 323 OG SER A 23 18.713 5.087 3.573 1.00 0.00 O ATOM 0 H SER A 23 17.562 5.666 5.098 1.00 0.00 H new ATOM 0 HA SER A 23 16.366 7.081 3.068 1.00 0.00 H new ATOM 0 HB2 SER A 23 17.443 4.608 2.026 1.00 0.00 H new ATOM 0 HB3 SER A 23 18.131 6.219 1.956 1.00 0.00 H new ATOM 0 HG SER A 23 19.128 5.888 3.955 1.00 0.00 H new ATOM 329 N PRO A 24 15.115 3.978 3.152 1.00 0.00 N ATOM 330 CA PRO A 24 13.954 3.179 2.742 1.00 0.00 C ATOM 331 C PRO A 24 12.662 3.630 3.419 1.00 0.00 C ATOM 332 O PRO A 24 11.570 3.230 3.016 1.00 0.00 O ATOM 333 CB PRO A 24 14.311 1.751 3.182 1.00 0.00 C ATOM 334 CG PRO A 24 15.778 1.774 3.447 1.00 0.00 C ATOM 335 CD PRO A 24 16.093 3.170 3.896 1.00 0.00 C ATOM 0 HA PRO A 24 13.766 3.274 1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.755 1.464 4.075 1.00 0.00 H new ATOM 0 HB3 PRO A 24 14.063 1.027 2.406 1.00 0.00 H new ATOM 0 HG2 PRO A 24 16.048 1.047 4.213 1.00 0.00 H new ATOM 0 HG3 PRO A 24 16.341 1.516 2.550 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.977 3.285 4.974 1.00 0.00 H new ATOM 0 HD3 PRO A 24 17.118 3.451 3.654 1.00 0.00 H new ATOM 343 N ALA A 25 12.790 4.460 4.451 1.00 0.00 N ATOM 344 CA ALA A 25 11.628 4.955 5.181 1.00 0.00 C ATOM 345 C ALA A 25 10.906 3.813 5.887 1.00 0.00 C ATOM 346 O ALA A 25 11.253 2.645 5.711 1.00 0.00 O ATOM 347 CB ALA A 25 10.679 5.684 4.240 1.00 0.00 C ATOM 0 H ALA A 25 13.685 4.803 4.800 1.00 0.00 H new ATOM 0 HA ALA A 25 11.975 5.659 5.938 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.818 6.047 4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.196 6.528 3.784 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.343 5.000 3.461 1.00 0.00 H new ATOM 353 N GLU A 26 9.902 4.154 6.689 1.00 0.00 N ATOM 354 CA GLU A 26 9.140 3.148 7.420 1.00 0.00 C ATOM 355 C GLU A 26 7.763 3.675 7.811 1.00 0.00 C ATOM 356 O GLU A 26 7.636 4.776 8.345 1.00 0.00 O ATOM 357 CB GLU A 26 9.906 2.709 8.670 1.00 0.00 C ATOM 358 CG GLU A 26 9.819 1.217 8.944 1.00 0.00 C ATOM 359 CD GLU A 26 11.090 0.480 8.570 1.00 0.00 C ATOM 360 OE1 GLU A 26 12.176 1.091 8.650 1.00 0.00 O ATOM 361 OE2 GLU A 26 10.999 -0.708 8.195 1.00 0.00 O ATOM 0 H GLU A 26 9.598 5.115 6.849 1.00 0.00 H new ATOM 0 HA GLU A 26 9.002 2.289 6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.954 2.989 8.561 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.519 3.252 9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.609 1.057 10.002 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.982 0.797 8.386 1.00 0.00 H new ATOM 368 N LEU A 27 6.736 2.874 7.545 1.00 0.00 N ATOM 369 CA LEU A 27 5.365 3.248 7.871 1.00 0.00 C ATOM 370 C LEU A 27 4.825 2.365 8.992 1.00 0.00 C ATOM 371 O LEU A 27 4.618 1.166 8.805 1.00 0.00 O ATOM 372 CB LEU A 27 4.477 3.129 6.631 1.00 0.00 C ATOM 373 CG LEU A 27 2.983 3.343 6.878 1.00 0.00 C ATOM 374 CD1 LEU A 27 2.308 3.884 5.627 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.327 2.044 7.325 1.00 0.00 C ATOM 0 H LEU A 27 6.828 1.959 7.103 1.00 0.00 H new ATOM 0 HA LEU A 27 5.358 4.284 8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.814 3.855 5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.619 2.140 6.195 1.00 0.00 H new ATOM 0 HG LEU A 27 2.865 4.078 7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.245 4.030 5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.761 4.837 5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.433 3.174 4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.264 2.213 7.497 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.453 1.287 6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.793 1.700 8.248 1.00 0.00 H new ATOM 387 N THR A 28 4.604 2.963 10.158 1.00 0.00 N ATOM 388 CA THR A 28 4.094 2.226 11.308 1.00 0.00 C ATOM 389 C THR A 28 2.586 2.400 11.447 1.00 0.00 C ATOM 390 O THR A 28 2.055 3.490 11.240 1.00 0.00 O ATOM 391 CB THR A 28 4.791 2.692 12.587 1.00 0.00 C ATOM 392 OG1 THR A 28 6.053 3.265 12.291 1.00 0.00 O ATOM 393 CG2 THR A 28 5.016 1.578 13.587 1.00 0.00 C ATOM 0 H THR A 28 4.770 3.954 10.331 1.00 0.00 H new ATOM 0 HA THR A 28 4.304 1.168 11.149 1.00 0.00 H new ATOM 0 HB THR A 28 4.118 3.426 13.031 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.482 3.558 13.122 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.514 1.977 14.470 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.057 1.148 13.875 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.639 0.805 13.137 1.00 0.00 H new ATOM 401 N TRP A 29 1.902 1.317 11.800 1.00 0.00 N ATOM 402 CA TRP A 29 0.454 1.346 11.969 1.00 0.00 C ATOM 403 C TRP A 29 0.055 0.718 13.301 1.00 0.00 C ATOM 404 O TRP A 29 0.123 -0.499 13.470 1.00 0.00 O ATOM 405 CB TRP A 29 -0.229 0.611 10.811 1.00 0.00 C ATOM 406 CG TRP A 29 -1.705 0.428 11.002 1.00 0.00 C ATOM 407 CD1 TRP A 29 -2.670 1.390 10.914 1.00 0.00 C ATOM 408 CD2 TRP A 29 -2.383 -0.794 11.316 1.00 0.00 C ATOM 409 NE1 TRP A 29 -3.906 0.841 11.154 1.00 0.00 N ATOM 410 CE2 TRP A 29 -3.757 -0.498 11.403 1.00 0.00 C ATOM 411 CE3 TRP A 29 -1.962 -2.109 11.532 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -4.710 -1.470 11.696 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -2.910 -3.073 11.823 1.00 0.00 C ATOM 414 CH2 TRP A 29 -4.270 -2.749 11.902 1.00 0.00 C ATOM 0 H TRP A 29 2.328 0.407 11.975 1.00 0.00 H new ATOM 0 HA TRP A 29 0.128 2.386 11.967 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.057 1.165 9.888 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.237 -0.367 10.687 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.488 2.430 10.689 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.791 1.348 11.148 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.915 -2.368 11.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -5.760 -1.223 11.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.596 -4.092 11.992 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -4.986 -3.525 12.130 1.00 0.00 H new ATOM 425 N ARG A 30 -0.364 1.557 14.243 1.00 0.00 N ATOM 426 CA ARG A 30 -0.775 1.084 15.560 1.00 0.00 C ATOM 427 C ARG A 30 -2.289 1.172 15.720 1.00 0.00 C ATOM 428 O ARG A 30 -2.895 2.202 15.424 1.00 0.00 O ATOM 429 CB ARG A 30 -0.086 1.898 16.656 1.00 0.00 C ATOM 430 CG ARG A 30 -0.462 3.371 16.646 1.00 0.00 C ATOM 431 CD ARG A 30 -1.567 3.670 17.646 1.00 0.00 C ATOM 432 NE ARG A 30 -1.039 4.189 18.906 1.00 0.00 N ATOM 433 CZ ARG A 30 -1.761 4.313 20.018 1.00 0.00 C ATOM 434 NH1 ARG A 30 -3.040 3.957 20.030 1.00 0.00 N ATOM 435 NH2 ARG A 30 -1.203 4.793 21.120 1.00 0.00 N ATOM 0 H ARG A 30 -0.428 2.567 14.119 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.477 0.040 15.653 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.340 1.473 17.627 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.994 1.806 16.541 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.416 3.973 16.881 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.787 3.658 15.646 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.258 4.395 17.216 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.137 2.761 17.839 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.060 4.473 18.935 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.474 3.586 19.185 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.588 4.054 20.885 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.221 5.067 21.116 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.756 4.888 21.972 1.00 0.00 H new ATOM 449 N SER A 31 -2.893 0.086 16.191 1.00 0.00 N ATOM 450 CA SER A 31 -4.338 0.041 16.391 1.00 0.00 C ATOM 451 C SER A 31 -4.787 1.129 17.362 1.00 0.00 C ATOM 452 O SER A 31 -4.091 1.437 18.329 1.00 0.00 O ATOM 453 CB SER A 31 -4.758 -1.333 16.915 1.00 0.00 C ATOM 454 OG SER A 31 -3.705 -1.949 17.635 1.00 0.00 O ATOM 0 H SER A 31 -2.405 -0.774 16.441 1.00 0.00 H new ATOM 0 HA SER A 31 -4.819 0.218 15.429 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.631 -1.228 17.560 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.053 -1.969 16.080 1.00 0.00 H new ATOM 0 HG SER A 31 -3.056 -2.327 17.006 1.00 0.00 H new ATOM 460 N THR A 32 -5.954 1.706 17.097 1.00 0.00 N ATOM 461 CA THR A 32 -6.496 2.760 17.947 1.00 0.00 C ATOM 462 C THR A 32 -6.775 2.234 19.352 1.00 0.00 C ATOM 463 O THR A 32 -6.424 2.870 20.345 1.00 0.00 O ATOM 464 CB THR A 32 -7.779 3.328 17.338 1.00 0.00 C ATOM 465 OG1 THR A 32 -7.537 3.826 16.034 1.00 0.00 O ATOM 466 CG2 THR A 32 -8.384 4.451 18.152 1.00 0.00 C ATOM 0 H THR A 32 -6.543 1.462 16.301 1.00 0.00 H new ATOM 0 HA THR A 32 -5.754 3.555 18.016 1.00 0.00 H new ATOM 0 HB THR A 32 -8.482 2.495 17.320 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.370 4.183 15.661 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.291 4.807 17.663 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.629 4.086 19.150 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.669 5.270 18.230 1.00 0.00 H new ATOM 474 N ASP A 33 -7.410 1.068 19.426 1.00 0.00 N ATOM 475 CA ASP A 33 -7.736 0.456 20.708 1.00 0.00 C ATOM 476 C ASP A 33 -7.746 -1.065 20.598 1.00 0.00 C ATOM 477 O ASP A 33 -8.807 -1.685 20.520 1.00 0.00 O ATOM 478 CB ASP A 33 -9.096 0.953 21.203 1.00 0.00 C ATOM 479 CG ASP A 33 -9.224 2.462 21.123 1.00 0.00 C ATOM 480 OD1 ASP A 33 -8.437 3.161 21.795 1.00 0.00 O ATOM 481 OD2 ASP A 33 -10.112 2.944 20.389 1.00 0.00 O ATOM 0 H ASP A 33 -7.709 0.529 18.613 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.968 0.745 21.426 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.886 0.492 20.610 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.243 0.633 22.234 1.00 0.00 H new ATOM 486 N GLY A 34 -6.558 -1.661 20.590 1.00 0.00 N ATOM 487 CA GLY A 34 -6.453 -3.104 20.488 1.00 0.00 C ATOM 488 C GLY A 34 -5.083 -3.615 20.890 1.00 0.00 C ATOM 489 O GLY A 34 -4.659 -3.441 22.032 1.00 0.00 O ATOM 0 H GLY A 34 -5.666 -1.170 20.652 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.210 -3.566 21.121 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.665 -3.409 19.463 1.00 0.00 H new ATOM 493 N ASP A 35 -4.391 -4.249 19.949 1.00 0.00 N ATOM 494 CA ASP A 35 -3.061 -4.787 20.211 1.00 0.00 C ATOM 495 C ASP A 35 -2.440 -5.349 18.936 1.00 0.00 C ATOM 496 O ASP A 35 -1.743 -6.363 18.968 1.00 0.00 O ATOM 497 CB ASP A 35 -3.131 -5.877 21.282 1.00 0.00 C ATOM 498 CG ASP A 35 -1.940 -5.845 22.219 1.00 0.00 C ATOM 499 OD1 ASP A 35 -1.584 -4.743 22.689 1.00 0.00 O ATOM 500 OD2 ASP A 35 -1.363 -6.920 22.484 1.00 0.00 O ATOM 0 H ASP A 35 -4.729 -4.403 18.999 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.432 -3.973 20.571 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.047 -5.756 21.860 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.184 -6.853 20.800 1.00 0.00 H new ATOM 505 N LYS A 36 -2.698 -4.684 17.815 1.00 0.00 N ATOM 506 CA LYS A 36 -2.164 -5.117 16.528 1.00 0.00 C ATOM 507 C LYS A 36 -1.414 -3.980 15.841 1.00 0.00 C ATOM 508 O LYS A 36 -1.965 -2.901 15.625 1.00 0.00 O ATOM 509 CB LYS A 36 -3.293 -5.618 15.626 1.00 0.00 C ATOM 510 CG LYS A 36 -3.871 -6.955 16.062 1.00 0.00 C ATOM 511 CD LYS A 36 -5.259 -7.177 15.483 1.00 0.00 C ATOM 512 CE LYS A 36 -5.191 -7.647 14.039 1.00 0.00 C ATOM 513 NZ LYS A 36 -4.836 -6.539 13.110 1.00 0.00 N ATOM 0 H LYS A 36 -3.274 -3.843 17.771 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.464 -5.933 16.709 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.090 -4.875 15.609 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.919 -5.708 14.606 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.209 -7.760 15.743 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.919 -6.994 17.150 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.791 -7.916 16.083 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.830 -6.250 15.539 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.453 -8.445 13.951 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.153 -8.069 13.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.400 -6.621 12.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.034 -5.626 13.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.825 -6.595 12.873 1.00 0.00 H new ATOM 527 N VAL A 37 -0.154 -4.230 15.500 1.00 0.00 N ATOM 528 CA VAL A 37 0.672 -3.227 14.838 1.00 0.00 C ATOM 529 C VAL A 37 1.686 -3.881 13.904 1.00 0.00 C ATOM 530 O VAL A 37 2.298 -4.892 14.246 1.00 0.00 O ATOM 531 CB VAL A 37 1.417 -2.349 15.864 1.00 0.00 C ATOM 532 CG1 VAL A 37 2.376 -3.188 16.696 1.00 0.00 C ATOM 533 CG2 VAL A 37 2.154 -1.216 15.165 1.00 0.00 C ATOM 0 H VAL A 37 0.317 -5.118 15.671 1.00 0.00 H new ATOM 0 HA VAL A 37 0.002 -2.596 14.253 1.00 0.00 H new ATOM 0 HB VAL A 37 0.681 -1.911 16.538 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.891 -2.548 17.413 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.817 -3.956 17.231 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.108 -3.661 16.041 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.673 -0.608 15.906 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.878 -1.631 14.464 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.439 -0.596 14.624 1.00 0.00 H new ATOM 543 N HIS A 38 1.859 -3.296 12.722 1.00 0.00 N ATOM 544 CA HIS A 38 2.799 -3.823 11.739 1.00 0.00 C ATOM 545 C HIS A 38 3.499 -2.691 10.993 1.00 0.00 C ATOM 546 O HIS A 38 2.939 -1.608 10.820 1.00 0.00 O ATOM 547 CB HIS A 38 2.073 -4.731 10.745 1.00 0.00 C ATOM 548 CG HIS A 38 2.983 -5.367 9.741 1.00 0.00 C ATOM 549 ND1 HIS A 38 3.503 -4.887 8.586 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 3.463 -6.654 9.868 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 4.278 -5.882 8.043 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 4.238 -6.937 8.835 1.00 0.00 N flip ATOM 0 H HIS A 38 1.361 -2.458 12.422 1.00 0.00 H new ATOM 0 HA HIS A 38 3.553 -4.405 12.270 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.549 -5.513 11.295 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.316 -4.149 10.220 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.240 -7.326 10.684 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.831 -5.813 7.118 1.00 0.00 H new ATOM 0 HE2 HIS A 38 4.723 -7.820 8.677 1.00 0.00 H new ATOM 561 N THR A 39 4.727 -2.950 10.554 1.00 0.00 N ATOM 562 CA THR A 39 5.505 -1.953 9.827 1.00 0.00 C ATOM 563 C THR A 39 5.727 -2.384 8.380 1.00 0.00 C ATOM 564 O THR A 39 5.861 -3.573 8.090 1.00 0.00 O ATOM 565 CB THR A 39 6.852 -1.726 10.515 1.00 0.00 C ATOM 566 OG1 THR A 39 6.676 -1.518 11.905 1.00 0.00 O ATOM 567 CG2 THR A 39 7.612 -0.539 9.965 1.00 0.00 C ATOM 0 H THR A 39 5.204 -3.841 10.689 1.00 0.00 H new ATOM 0 HA THR A 39 4.942 -1.020 9.827 1.00 0.00 H new ATOM 0 HB THR A 39 7.431 -2.629 10.321 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.549 -1.376 12.328 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.558 -0.434 10.497 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.807 -0.692 8.904 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.019 0.366 10.098 1.00 0.00 H new ATOM 575 N VAL A 40 5.763 -1.410 7.476 1.00 0.00 N ATOM 576 CA VAL A 40 5.967 -1.689 6.060 1.00 0.00 C ATOM 577 C VAL A 40 6.847 -0.623 5.411 1.00 0.00 C ATOM 578 O VAL A 40 6.465 0.544 5.327 1.00 0.00 O ATOM 579 CB VAL A 40 4.624 -1.766 5.304 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.884 -0.439 5.387 1.00 0.00 C ATOM 581 CG2 VAL A 40 4.845 -2.174 3.855 1.00 0.00 C ATOM 0 H VAL A 40 5.653 -0.421 7.699 1.00 0.00 H new ATOM 0 HA VAL A 40 6.467 -2.656 5.995 1.00 0.00 H new ATOM 0 HB VAL A 40 4.007 -2.528 5.780 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.940 -0.515 4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.687 -0.197 6.431 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.494 0.346 4.941 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.885 -2.222 3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.484 -1.440 3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.324 -3.152 3.822 1.00 0.00 H new ATOM 591 N VAL A 41 8.026 -1.033 4.953 1.00 0.00 N ATOM 592 CA VAL A 41 8.957 -0.114 4.311 1.00 0.00 C ATOM 593 C VAL A 41 8.331 0.523 3.074 1.00 0.00 C ATOM 594 O VAL A 41 7.824 -0.174 2.195 1.00 0.00 O ATOM 595 CB VAL A 41 10.262 -0.826 3.906 1.00 0.00 C ATOM 596 CG1 VAL A 41 11.290 0.180 3.407 1.00 0.00 C ATOM 597 CG2 VAL A 41 10.814 -1.632 5.072 1.00 0.00 C ATOM 0 H VAL A 41 8.358 -1.995 5.015 1.00 0.00 H new ATOM 0 HA VAL A 41 9.190 0.663 5.039 1.00 0.00 H new ATOM 0 HB VAL A 41 10.040 -1.515 3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.204 -0.343 3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.892 0.707 2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 41 11.511 0.897 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.736 -2.128 4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 41 11.020 -0.966 5.910 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.082 -2.381 5.375 1.00 0.00 H new ATOM 607 N LEU A 42 8.365 1.850 3.015 1.00 0.00 N ATOM 608 CA LEU A 42 7.797 2.582 1.886 1.00 0.00 C ATOM 609 C LEU A 42 8.750 2.602 0.690 1.00 0.00 C ATOM 610 O LEU A 42 8.434 3.177 -0.352 1.00 0.00 O ATOM 611 CB LEU A 42 7.457 4.014 2.303 1.00 0.00 C ATOM 612 CG LEU A 42 6.172 4.164 3.119 1.00 0.00 C ATOM 613 CD1 LEU A 42 5.883 5.631 3.393 1.00 0.00 C ATOM 614 CD2 LEU A 42 5.002 3.513 2.395 1.00 0.00 C ATOM 0 H LEU A 42 8.780 2.442 3.735 1.00 0.00 H new ATOM 0 HA LEU A 42 6.887 2.066 1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.287 4.413 2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.373 4.627 1.406 1.00 0.00 H new ATOM 0 HG LEU A 42 6.309 3.658 4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.965 5.719 3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.710 6.066 3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.766 6.161 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.096 3.629 2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.863 3.991 1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.208 2.452 2.251 1.00 0.00 H new ATOM 626 N SER A 43 9.916 1.978 0.842 1.00 0.00 N ATOM 627 CA SER A 43 10.905 1.936 -0.230 1.00 0.00 C ATOM 628 C SER A 43 10.526 0.903 -1.288 1.00 0.00 C ATOM 629 O SER A 43 10.635 1.161 -2.487 1.00 0.00 O ATOM 630 CB SER A 43 12.288 1.615 0.337 1.00 0.00 C ATOM 631 OG SER A 43 13.299 2.344 -0.337 1.00 0.00 O ATOM 0 H SER A 43 10.198 1.496 1.696 1.00 0.00 H new ATOM 0 HA SER A 43 10.930 2.918 -0.702 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.312 1.852 1.401 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.483 0.547 0.244 1.00 0.00 H new ATOM 0 HG SER A 43 14.178 2.075 0.002 1.00 0.00 H new ATOM 637 N THR A 44 10.085 -0.268 -0.838 1.00 0.00 N ATOM 638 CA THR A 44 9.694 -1.341 -1.748 1.00 0.00 C ATOM 639 C THR A 44 8.631 -0.866 -2.735 1.00 0.00 C ATOM 640 O THR A 44 8.549 -1.363 -3.859 1.00 0.00 O ATOM 641 CB THR A 44 9.173 -2.543 -0.958 1.00 0.00 C ATOM 642 OG1 THR A 44 8.523 -3.464 -1.816 1.00 0.00 O ATOM 643 CG2 THR A 44 8.197 -2.164 0.134 1.00 0.00 C ATOM 0 H THR A 44 9.989 -0.498 0.151 1.00 0.00 H new ATOM 0 HA THR A 44 10.577 -1.640 -2.314 1.00 0.00 H new ATOM 0 HB THR A 44 10.054 -2.989 -0.496 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.198 -4.226 -1.292 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.867 -3.063 0.655 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.685 -1.493 0.841 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.335 -1.663 -0.306 1.00 0.00 H new ATOM 651 N ILE A 45 7.821 0.098 -2.311 1.00 0.00 N ATOM 652 CA ILE A 45 6.767 0.638 -3.161 1.00 0.00 C ATOM 653 C ILE A 45 7.355 1.499 -4.276 1.00 0.00 C ATOM 654 O ILE A 45 8.075 2.463 -4.017 1.00 0.00 O ATOM 655 CB ILE A 45 5.757 1.475 -2.343 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.031 0.589 -1.329 1.00 0.00 C ATOM 657 CG2 ILE A 45 4.752 2.161 -3.261 1.00 0.00 C ATOM 658 CD1 ILE A 45 5.830 0.324 -0.072 1.00 0.00 C ATOM 0 H ILE A 45 7.874 0.521 -1.384 1.00 0.00 H new ATOM 0 HA ILE A 45 6.242 -0.210 -3.601 1.00 0.00 H new ATOM 0 HB ILE A 45 6.309 2.245 -1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.087 1.062 -1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.786 -0.363 -1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.052 2.744 -2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.280 2.822 -3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.205 1.408 -3.829 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.252 -0.311 0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.762 -0.178 -0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.053 1.269 0.424 1.00 0.00 H new ATOM 670 N ASP A 46 7.041 1.142 -5.517 1.00 0.00 N ATOM 671 CA ASP A 46 7.536 1.879 -6.674 1.00 0.00 C ATOM 672 C ASP A 46 6.431 2.735 -7.287 1.00 0.00 C ATOM 673 O ASP A 46 6.700 3.774 -7.890 1.00 0.00 O ATOM 674 CB ASP A 46 8.089 0.913 -7.723 1.00 0.00 C ATOM 675 CG ASP A 46 9.287 1.482 -8.458 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.248 1.909 -7.786 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.263 1.499 -9.707 1.00 0.00 O ATOM 0 H ASP A 46 6.446 0.346 -5.747 1.00 0.00 H new ATOM 0 HA ASP A 46 8.338 2.537 -6.338 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.373 -0.021 -7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.305 0.674 -8.442 1.00 0.00 H new ATOM 682 N LYS A 47 5.188 2.291 -7.129 1.00 0.00 N ATOM 683 CA LYS A 47 4.044 3.014 -7.667 1.00 0.00 C ATOM 684 C LYS A 47 2.975 3.202 -6.591 1.00 0.00 C ATOM 685 O LYS A 47 2.923 2.452 -5.616 1.00 0.00 O ATOM 686 CB LYS A 47 3.474 2.262 -8.880 1.00 0.00 C ATOM 687 CG LYS A 47 1.954 2.239 -8.949 1.00 0.00 C ATOM 688 CD LYS A 47 1.464 1.651 -10.262 1.00 0.00 C ATOM 689 CE LYS A 47 1.748 0.160 -10.345 1.00 0.00 C ATOM 690 NZ LYS A 47 2.107 -0.262 -11.727 1.00 0.00 N ATOM 0 H LYS A 47 4.949 1.433 -6.632 1.00 0.00 H new ATOM 0 HA LYS A 47 4.370 4.002 -7.992 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.860 2.721 -9.790 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.840 1.236 -8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.560 1.654 -8.118 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.568 3.252 -8.837 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.393 1.825 -10.362 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.949 2.162 -11.094 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.562 -0.093 -9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.871 -0.395 -10.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.293 -1.285 -11.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.320 -0.045 -12.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.959 0.249 -12.036 1.00 0.00 H new ATOM 704 N LEU A 48 2.126 4.208 -6.776 1.00 0.00 N ATOM 705 CA LEU A 48 1.060 4.494 -5.822 1.00 0.00 C ATOM 706 C LEU A 48 -0.310 4.362 -6.480 1.00 0.00 C ATOM 707 O LEU A 48 -0.462 4.613 -7.676 1.00 0.00 O ATOM 708 CB LEU A 48 1.227 5.901 -5.245 1.00 0.00 C ATOM 709 CG LEU A 48 2.479 6.105 -4.388 1.00 0.00 C ATOM 710 CD1 LEU A 48 3.620 6.649 -5.233 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.181 7.039 -3.225 1.00 0.00 C ATOM 0 H LEU A 48 2.155 4.838 -7.577 1.00 0.00 H new ATOM 0 HA LEU A 48 1.126 3.766 -5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.249 6.615 -6.068 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.350 6.136 -4.642 1.00 0.00 H new ATOM 0 HG LEU A 48 2.782 5.139 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.502 6.788 -4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.849 5.944 -6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.328 7.606 -5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.082 7.173 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.853 8.005 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.394 6.609 -2.605 1.00 0.00 H new ATOM 723 N GLN A 49 -1.304 3.967 -5.691 1.00 0.00 N ATOM 724 CA GLN A 49 -2.662 3.802 -6.196 1.00 0.00 C ATOM 725 C GLN A 49 -3.687 4.140 -5.118 1.00 0.00 C ATOM 726 O GLN A 49 -3.695 3.537 -4.045 1.00 0.00 O ATOM 727 CB GLN A 49 -2.875 2.369 -6.688 1.00 0.00 C ATOM 728 CG GLN A 49 -1.973 1.983 -7.848 1.00 0.00 C ATOM 729 CD GLN A 49 -2.321 2.719 -9.128 1.00 0.00 C ATOM 730 OE1 GLN A 49 -2.356 3.949 -9.161 1.00 0.00 O ATOM 731 NE2 GLN A 49 -2.581 1.966 -10.190 1.00 0.00 N ATOM 0 H GLN A 49 -1.194 3.755 -4.699 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.799 4.489 -7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.703 1.681 -5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.915 2.249 -6.992 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.937 2.193 -7.583 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.047 0.909 -8.019 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.540 0.949 -10.117 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.822 2.404 -11.079 1.00 0.00 H new ATOM 740 N ALA A 50 -4.549 5.108 -5.410 1.00 0.00 N ATOM 741 CA ALA A 50 -5.577 5.525 -4.465 1.00 0.00 C ATOM 742 C ALA A 50 -6.945 5.595 -5.136 1.00 0.00 C ATOM 743 O ALA A 50 -7.045 5.648 -6.362 1.00 0.00 O ATOM 744 CB ALA A 50 -5.217 6.872 -3.856 1.00 0.00 C ATOM 0 H ALA A 50 -4.556 5.618 -6.293 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.629 4.780 -3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.993 7.172 -3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.264 6.792 -3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.136 7.618 -4.646 1.00 0.00 H new ATOM 750 N THR A 51 -7.997 5.595 -4.323 1.00 0.00 N ATOM 751 CA THR A 51 -9.360 5.659 -4.837 1.00 0.00 C ATOM 752 C THR A 51 -9.896 7.089 -4.776 1.00 0.00 C ATOM 753 O THR A 51 -9.618 7.823 -3.828 1.00 0.00 O ATOM 754 CB THR A 51 -10.272 4.725 -4.039 1.00 0.00 C ATOM 755 OG1 THR A 51 -9.511 3.747 -3.352 1.00 0.00 O ATOM 756 CG2 THR A 51 -11.284 3.998 -4.898 1.00 0.00 C ATOM 0 H THR A 51 -7.931 5.551 -3.306 1.00 0.00 H new ATOM 0 HA THR A 51 -9.346 5.338 -5.879 1.00 0.00 H new ATOM 0 HB THR A 51 -10.807 5.370 -3.343 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.014 4.172 -2.623 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.898 3.353 -4.270 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.920 4.724 -5.404 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.763 3.393 -5.640 1.00 0.00 H new ATOM 764 N PRO A 52 -10.675 7.506 -5.790 1.00 0.00 N ATOM 765 CA PRO A 52 -11.245 8.856 -5.841 1.00 0.00 C ATOM 766 C PRO A 52 -12.327 9.068 -4.787 1.00 0.00 C ATOM 767 O PRO A 52 -13.036 8.134 -4.414 1.00 0.00 O ATOM 768 CB PRO A 52 -11.845 8.938 -7.247 1.00 0.00 C ATOM 769 CG PRO A 52 -12.131 7.525 -7.619 1.00 0.00 C ATOM 770 CD PRO A 52 -11.059 6.699 -6.964 1.00 0.00 C ATOM 0 HA PRO A 52 -10.496 9.621 -5.638 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.753 9.541 -7.256 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.149 9.399 -7.948 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.120 7.224 -7.275 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.117 7.396 -8.701 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.431 5.717 -6.672 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.214 6.534 -7.632 1.00 0.00 H new ATOM 778 N ALA A 53 -12.448 10.303 -4.311 1.00 0.00 N ATOM 779 CA ALA A 53 -13.443 10.640 -3.300 1.00 0.00 C ATOM 780 C ALA A 53 -14.854 10.324 -3.787 1.00 0.00 C ATOM 781 O ALA A 53 -15.752 10.063 -2.987 1.00 0.00 O ATOM 782 CB ALA A 53 -13.331 12.108 -2.919 1.00 0.00 C ATOM 0 H ALA A 53 -11.869 11.088 -4.610 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.248 10.030 -2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.080 12.346 -2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.336 12.305 -2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.497 12.726 -3.801 1.00 0.00 H new ATOM 788 N SER A 54 -15.042 10.350 -5.103 1.00 0.00 N ATOM 789 CA SER A 54 -16.345 10.066 -5.694 1.00 0.00 C ATOM 790 C SER A 54 -16.744 8.612 -5.461 1.00 0.00 C ATOM 791 O SER A 54 -17.930 8.289 -5.386 1.00 0.00 O ATOM 792 CB SER A 54 -16.324 10.368 -7.193 1.00 0.00 C ATOM 793 OG SER A 54 -17.556 10.926 -7.618 1.00 0.00 O ATOM 0 H SER A 54 -14.309 10.565 -5.779 1.00 0.00 H new ATOM 0 HA SER A 54 -17.083 10.707 -5.211 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.512 11.059 -7.417 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.125 9.452 -7.749 1.00 0.00 H new ATOM 0 HG SER A 54 -17.517 11.112 -8.579 1.00 0.00 H new ATOM 799 N SER A 55 -15.748 7.739 -5.348 1.00 0.00 N ATOM 800 CA SER A 55 -15.998 6.319 -5.124 1.00 0.00 C ATOM 801 C SER A 55 -16.797 6.102 -3.842 1.00 0.00 C ATOM 802 O SER A 55 -16.797 6.949 -2.948 1.00 0.00 O ATOM 803 CB SER A 55 -14.676 5.553 -5.050 1.00 0.00 C ATOM 804 OG SER A 55 -14.820 4.237 -5.555 1.00 0.00 O ATOM 0 H SER A 55 -14.761 7.989 -5.408 1.00 0.00 H new ATOM 0 HA SER A 55 -16.583 5.942 -5.963 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.913 6.083 -5.620 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.332 5.514 -4.016 1.00 0.00 H new ATOM 0 HG SER A 55 -13.961 3.769 -5.498 1.00 0.00 H new ATOM 810 N GLU A 56 -17.477 4.963 -3.761 1.00 0.00 N ATOM 811 CA GLU A 56 -18.280 4.635 -2.589 1.00 0.00 C ATOM 812 C GLU A 56 -17.416 4.582 -1.333 1.00 0.00 C ATOM 813 O GLU A 56 -17.806 5.082 -0.278 1.00 0.00 O ATOM 814 CB GLU A 56 -18.991 3.295 -2.791 1.00 0.00 C ATOM 815 CG GLU A 56 -20.368 3.426 -3.421 1.00 0.00 C ATOM 816 CD GLU A 56 -20.726 2.237 -4.292 1.00 0.00 C ATOM 817 OE1 GLU A 56 -20.055 2.036 -5.326 1.00 0.00 O ATOM 818 OE2 GLU A 56 -21.676 1.508 -3.939 1.00 0.00 O ATOM 0 H GLU A 56 -17.488 4.252 -4.493 1.00 0.00 H new ATOM 0 HA GLU A 56 -19.026 5.419 -2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.372 2.656 -3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.088 2.795 -1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -21.115 3.533 -2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -20.404 4.335 -4.021 1.00 0.00 H new ATOM 825 N LYS A 57 -16.242 3.971 -1.454 1.00 0.00 N ATOM 826 CA LYS A 57 -15.323 3.852 -0.327 1.00 0.00 C ATOM 827 C LYS A 57 -13.942 4.387 -0.692 1.00 0.00 C ATOM 828 O LYS A 57 -13.409 4.082 -1.759 1.00 0.00 O ATOM 829 CB LYS A 57 -15.216 2.393 0.119 1.00 0.00 C ATOM 830 CG LYS A 57 -14.733 1.456 -0.976 1.00 0.00 C ATOM 831 CD LYS A 57 -15.008 0.002 -0.626 1.00 0.00 C ATOM 832 CE LYS A 57 -16.409 -0.415 -1.042 1.00 0.00 C ATOM 833 NZ LYS A 57 -16.660 -0.157 -2.487 1.00 0.00 N ATOM 0 H LYS A 57 -15.904 3.551 -2.320 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.718 4.448 0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.534 2.330 0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -16.192 2.056 0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.228 1.705 -1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.664 1.598 -1.132 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.275 -0.637 -1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.887 -0.144 0.447 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.549 -1.476 -0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.142 0.127 -0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.509 -0.675 -2.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.804 0.862 -2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.842 -0.477 -3.044 1.00 0.00 H new ATOM 847 N MET A 58 -13.367 5.185 0.201 1.00 0.00 N ATOM 848 CA MET A 58 -12.047 5.762 -0.026 1.00 0.00 C ATOM 849 C MET A 58 -10.964 4.920 0.640 1.00 0.00 C ATOM 850 O MET A 58 -11.001 4.685 1.848 1.00 0.00 O ATOM 851 CB MET A 58 -11.995 7.195 0.507 1.00 0.00 C ATOM 852 CG MET A 58 -13.213 8.027 0.138 1.00 0.00 C ATOM 853 SD MET A 58 -14.490 7.992 1.410 1.00 0.00 S ATOM 854 CE MET A 58 -13.596 8.670 2.806 1.00 0.00 C ATOM 0 H MET A 58 -13.794 5.447 1.089 1.00 0.00 H new ATOM 0 HA MET A 58 -11.863 5.775 -1.100 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.900 7.167 1.593 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.101 7.685 0.122 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.905 9.058 -0.034 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.629 7.658 -0.799 1.00 0.00 H new ATOM 0 HE1 MET A 58 -14.304 9.058 3.538 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.991 7.888 3.265 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.948 9.477 2.465 1.00 0.00 H new ATOM 864 N MET A 59 -10.000 4.468 -0.155 1.00 0.00 N ATOM 865 CA MET A 59 -8.906 3.651 0.358 1.00 0.00 C ATOM 866 C MET A 59 -7.641 3.853 -0.470 1.00 0.00 C ATOM 867 O MET A 59 -7.708 4.112 -1.672 1.00 0.00 O ATOM 868 CB MET A 59 -9.301 2.173 0.355 1.00 0.00 C ATOM 869 CG MET A 59 -10.645 1.902 1.010 1.00 0.00 C ATOM 870 SD MET A 59 -10.901 0.154 1.370 1.00 0.00 S ATOM 871 CE MET A 59 -11.432 -0.448 -0.231 1.00 0.00 C ATOM 0 H MET A 59 -9.954 4.653 -1.157 1.00 0.00 H new ATOM 0 HA MET A 59 -8.702 3.963 1.382 1.00 0.00 H new ATOM 0 HB2 MET A 59 -9.329 1.815 -0.674 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.532 1.599 0.872 1.00 0.00 H new ATOM 0 HG2 MET A 59 -10.716 2.474 1.935 1.00 0.00 H new ATOM 0 HG3 MET A 59 -11.442 2.255 0.355 1.00 0.00 H new ATOM 0 HE1 MET A 59 -12.400 -0.939 -0.132 1.00 0.00 H new ATOM 0 HE2 MET A 59 -11.518 0.389 -0.924 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.701 -1.161 -0.612 1.00 0.00 H new ATOM 881 N LEU A 60 -6.489 3.731 0.181 1.00 0.00 N ATOM 882 CA LEU A 60 -5.207 3.899 -0.494 1.00 0.00 C ATOM 883 C LEU A 60 -4.462 2.571 -0.583 1.00 0.00 C ATOM 884 O LEU A 60 -4.485 1.771 0.353 1.00 0.00 O ATOM 885 CB LEU A 60 -4.350 4.930 0.242 1.00 0.00 C ATOM 886 CG LEU A 60 -2.956 5.152 -0.346 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.053 5.812 -1.713 1.00 0.00 C ATOM 888 CD2 LEU A 60 -2.109 5.995 0.596 1.00 0.00 C ATOM 0 H LEU A 60 -6.417 3.516 1.176 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.401 4.255 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.880 5.882 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.244 4.617 1.281 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.474 4.182 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.052 5.962 -2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.623 5.172 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.554 6.775 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.120 6.143 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.587 6.963 0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.012 5.484 1.554 1.00 0.00 H new ATOM 900 N ARG A 61 -3.802 2.342 -1.713 1.00 0.00 N ATOM 901 CA ARG A 61 -3.051 1.110 -1.923 1.00 0.00 C ATOM 902 C ARG A 61 -1.715 1.395 -2.601 1.00 0.00 C ATOM 903 O ARG A 61 -1.620 2.262 -3.470 1.00 0.00 O ATOM 904 CB ARG A 61 -3.867 0.127 -2.767 1.00 0.00 C ATOM 905 CG ARG A 61 -3.147 -1.183 -3.048 1.00 0.00 C ATOM 906 CD ARG A 61 -3.672 -1.848 -4.311 1.00 0.00 C ATOM 907 NE ARG A 61 -4.541 -2.984 -4.011 1.00 0.00 N ATOM 908 CZ ARG A 61 -5.108 -3.749 -4.941 1.00 0.00 C ATOM 909 NH1 ARG A 61 -4.900 -3.505 -6.229 1.00 0.00 N ATOM 910 NH2 ARG A 61 -5.884 -4.762 -4.582 1.00 0.00 N ATOM 0 H ARG A 61 -3.772 2.993 -2.497 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.854 0.664 -0.948 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.805 -0.087 -2.254 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.123 0.601 -3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.078 -0.997 -3.151 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.273 -1.858 -2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.222 -1.117 -4.904 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.832 -2.184 -4.919 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.724 -3.203 -3.032 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.303 -2.728 -6.511 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.337 -4.095 -6.937 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.046 -4.955 -3.594 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.319 -5.349 -5.294 1.00 0.00 H new ATOM 924 N LEU A 62 -0.685 0.657 -2.199 1.00 0.00 N ATOM 925 CA LEU A 62 0.646 0.827 -2.769 1.00 0.00 C ATOM 926 C LEU A 62 1.114 -0.457 -3.444 1.00 0.00 C ATOM 927 O LEU A 62 0.848 -1.557 -2.960 1.00 0.00 O ATOM 928 CB LEU A 62 1.644 1.238 -1.683 1.00 0.00 C ATOM 929 CG LEU A 62 1.174 2.362 -0.756 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.579 3.509 -1.558 1.00 0.00 C ATOM 931 CD2 LEU A 62 0.165 1.832 0.252 1.00 0.00 C ATOM 0 H LEU A 62 -0.747 -0.064 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 62 0.594 1.616 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.877 0.363 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.571 1.549 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 62 2.039 2.742 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.252 4.296 -0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.332 3.906 -2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.274 3.147 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.159 2.644 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.697 1.424 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.627 1.048 0.852 1.00 0.00 H new ATOM 943 N ILE A 63 1.812 -0.310 -4.565 1.00 0.00 N ATOM 944 CA ILE A 63 2.317 -1.459 -5.306 1.00 0.00 C ATOM 945 C ILE A 63 3.833 -1.566 -5.192 1.00 0.00 C ATOM 946 O ILE A 63 4.559 -0.628 -5.523 1.00 0.00 O ATOM 947 CB ILE A 63 1.930 -1.382 -6.796 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.450 -1.027 -6.945 1.00 0.00 C ATOM 949 CG2 ILE A 63 2.237 -2.700 -7.490 1.00 0.00 C ATOM 950 CD1 ILE A 63 -0.479 -2.009 -6.265 1.00 0.00 C ATOM 0 H ILE A 63 2.041 0.593 -4.980 1.00 0.00 H new ATOM 0 HA ILE A 63 1.859 -2.344 -4.864 1.00 0.00 H new ATOM 0 HB ILE A 63 2.520 -0.597 -7.269 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.280 -0.033 -6.532 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.201 -0.979 -8.005 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.959 -2.631 -8.542 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.303 -2.914 -7.410 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.670 -3.501 -7.016 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.512 -1.694 -6.412 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.337 -3.001 -6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.258 -2.040 -5.198 1.00 0.00 H new ATOM 962 N GLY A 64 4.306 -2.715 -4.721 1.00 0.00 N ATOM 963 CA GLY A 64 5.734 -2.924 -4.571 1.00 0.00 C ATOM 964 C GLY A 64 6.466 -2.898 -5.899 1.00 0.00 C ATOM 965 O GLY A 64 5.870 -2.614 -6.938 1.00 0.00 O ATOM 0 H GLY A 64 3.726 -3.505 -4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.144 -2.154 -3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.909 -3.882 -4.082 1.00 0.00 H new ATOM 969 N LYS A 65 7.761 -3.194 -5.865 1.00 0.00 N ATOM 970 CA LYS A 65 8.575 -3.203 -7.075 1.00 0.00 C ATOM 971 C LYS A 65 8.245 -4.413 -7.943 1.00 0.00 C ATOM 972 O LYS A 65 7.513 -5.309 -7.523 1.00 0.00 O ATOM 973 CB LYS A 65 10.062 -3.207 -6.715 1.00 0.00 C ATOM 974 CG LYS A 65 10.682 -1.820 -6.678 1.00 0.00 C ATOM 975 CD LYS A 65 11.717 -1.701 -5.570 1.00 0.00 C ATOM 976 CE LYS A 65 11.647 -0.344 -4.888 1.00 0.00 C ATOM 977 NZ LYS A 65 12.979 0.093 -4.383 1.00 0.00 N ATOM 0 H LYS A 65 8.269 -3.431 -5.013 1.00 0.00 H new ATOM 0 HA LYS A 65 8.349 -2.300 -7.642 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.190 -3.679 -5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.601 -3.818 -7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.149 -1.604 -7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.901 -1.075 -6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.556 -2.488 -4.834 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.714 -1.851 -5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.264 0.396 -5.591 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.942 -0.391 -4.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.889 1.022 -3.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.333 -0.600 -3.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.646 0.162 -5.178 1.00 0.00 H new ATOM 1294 N GLN A 85 4.423 -6.641 -4.316 1.00 0.00 N ATOM 1295 CA GLN A 85 3.526 -6.716 -3.168 1.00 0.00 C ATOM 1296 C GLN A 85 2.432 -5.659 -3.262 1.00 0.00 C ATOM 1297 O GLN A 85 2.698 -4.463 -3.144 1.00 0.00 O ATOM 1298 CB GLN A 85 4.313 -6.539 -1.868 1.00 0.00 C ATOM 1299 CG GLN A 85 5.298 -7.664 -1.595 1.00 0.00 C ATOM 1300 CD GLN A 85 6.056 -7.473 -0.296 1.00 0.00 C ATOM 1301 OE1 GLN A 85 5.995 -8.314 0.601 1.00 0.00 O ATOM 1302 NE2 GLN A 85 6.775 -6.362 -0.189 1.00 0.00 N ATOM 0 HA GLN A 85 3.056 -7.699 -3.169 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.855 -5.594 -1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 85 3.613 -6.470 -1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.761 -8.612 -1.562 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.008 -7.728 -2.420 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.796 -5.692 -0.958 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.306 -6.178 0.662 1.00 0.00 H new ATOM 1311 N ARG A 86 1.199 -6.108 -3.474 1.00 0.00 N ATOM 1312 CA ARG A 86 0.063 -5.200 -3.583 1.00 0.00 C ATOM 1313 C ARG A 86 -0.692 -5.114 -2.260 1.00 0.00 C ATOM 1314 O ARG A 86 -1.538 -5.958 -1.961 1.00 0.00 O ATOM 1315 CB ARG A 86 -0.882 -5.663 -4.694 1.00 0.00 C ATOM 1316 CG ARG A 86 -0.314 -5.474 -6.093 1.00 0.00 C ATOM 1317 CD ARG A 86 -0.317 -6.776 -6.879 1.00 0.00 C ATOM 1318 NE ARG A 86 -0.646 -6.564 -8.287 1.00 0.00 N ATOM 1319 CZ ARG A 86 -1.845 -6.180 -8.718 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -2.831 -5.963 -7.856 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -2.059 -6.010 -10.016 1.00 0.00 N ATOM 0 H ARG A 86 0.961 -7.095 -3.574 1.00 0.00 H new ATOM 0 HA ARG A 86 0.443 -4.209 -3.829 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.116 -6.717 -4.545 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.820 -5.114 -4.614 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.900 -4.725 -6.626 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.705 -5.092 -6.024 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.663 -7.248 -6.803 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.038 -7.464 -6.438 1.00 0.00 H new ATOM 0 HE ARG A 86 0.086 -6.719 -8.980 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.672 -6.090 -6.857 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.748 -5.669 -8.193 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.305 -6.174 -10.683 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.978 -5.716 -10.347 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.381 -4.090 -1.472 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.031 -3.895 -0.180 1.00 0.00 C ATOM 1337 C HIS A 87 -1.959 -2.685 -0.215 1.00 0.00 C ATOM 1338 O HIS A 87 -1.611 -1.638 -0.760 1.00 0.00 O ATOM 1339 CB HIS A 87 0.016 -3.718 0.925 1.00 0.00 C ATOM 1340 CG HIS A 87 1.207 -2.911 0.506 1.00 0.00 C ATOM 1341 ND1 HIS A 87 2.172 -3.386 -0.358 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.587 -1.654 0.837 1.00 0.00 C ATOM 1343 CE1 HIS A 87 3.094 -2.458 -0.538 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.762 -1.397 0.174 1.00 0.00 N ATOM 0 H HIS A 87 0.316 -3.383 -1.705 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.627 -4.782 0.034 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.453 -3.237 1.783 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.353 -4.701 1.255 1.00 0.00 H new ATOM 0 HD1 HIS A 87 2.173 -4.310 -0.790 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.064 -0.980 1.499 1.00 0.00 H new ATOM 0 HE1 HIS A 87 3.971 -2.551 -1.162 1.00 0.00 H new ATOM 1353 N MET A 88 -3.143 -2.837 0.371 1.00 0.00 N ATOM 1354 CA MET A 88 -4.123 -1.757 0.408 1.00 0.00 C ATOM 1355 C MET A 88 -4.532 -1.437 1.842 1.00 0.00 C ATOM 1356 O MET A 88 -4.530 -2.312 2.708 1.00 0.00 O ATOM 1357 CB MET A 88 -5.359 -2.128 -0.415 1.00 0.00 C ATOM 1358 CG MET A 88 -5.890 -3.523 -0.126 1.00 0.00 C ATOM 1359 SD MET A 88 -6.815 -3.608 1.420 1.00 0.00 S ATOM 1360 CE MET A 88 -8.226 -2.577 1.027 1.00 0.00 C ATOM 0 H MET A 88 -3.447 -3.698 0.827 1.00 0.00 H new ATOM 0 HA MET A 88 -3.660 -0.870 -0.025 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.147 -1.401 -0.218 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.114 -2.054 -1.475 1.00 0.00 H new ATOM 0 HG2 MET A 88 -6.533 -3.840 -0.947 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.056 -4.224 -0.085 1.00 0.00 H new ATOM 0 HE1 MET A 88 -8.998 -2.712 1.785 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.918 -1.532 1.005 1.00 0.00 H new ATOM 0 HE3 MET A 88 -8.622 -2.859 0.052 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.884 -0.179 2.083 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.298 0.260 3.410 1.00 0.00 C ATOM 1372 C PHE A 89 -6.629 1.003 3.344 1.00 0.00 C ATOM 1373 O PHE A 89 -6.892 1.740 2.394 1.00 0.00 O ATOM 1374 CB PHE A 89 -4.228 1.161 4.030 1.00 0.00 C ATOM 1375 CG PHE A 89 -2.968 0.431 4.397 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -2.168 -0.134 3.416 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -2.583 0.310 5.722 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -1.008 -0.806 3.751 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -1.424 -0.361 6.063 1.00 0.00 C ATOM 1380 CZ PHE A 89 -0.635 -0.920 5.076 1.00 0.00 C ATOM 0 H PHE A 89 -4.891 0.556 1.375 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.425 -0.624 4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.985 1.959 3.328 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.636 1.635 4.922 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.455 -0.048 2.378 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.196 0.745 6.498 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.393 -1.242 2.977 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.135 -0.448 7.100 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.271 -1.445 5.340 1.00 0.00 H new ATOM 1390 N SER A 90 -7.464 0.803 4.357 1.00 0.00 N ATOM 1391 CA SER A 90 -8.768 1.454 4.412 1.00 0.00 C ATOM 1392 C SER A 90 -8.667 2.823 5.077 1.00 0.00 C ATOM 1393 O SER A 90 -7.864 3.024 5.987 1.00 0.00 O ATOM 1394 CB SER A 90 -9.768 0.577 5.169 1.00 0.00 C ATOM 1395 OG SER A 90 -10.527 -0.219 4.276 1.00 0.00 O ATOM 0 H SER A 90 -7.262 0.196 5.151 1.00 0.00 H new ATOM 0 HA SER A 90 -9.119 1.594 3.390 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.235 -0.065 5.870 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.436 1.206 5.757 1.00 0.00 H new ATOM 0 HG SER A 90 -10.705 0.288 3.456 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.488 3.760 4.615 1.00 0.00 N ATOM 1402 CA PHE A 91 -9.492 5.111 5.165 1.00 0.00 C ATOM 1403 C PHE A 91 -10.917 5.637 5.303 1.00 0.00 C ATOM 1404 O PHE A 91 -11.867 5.020 4.822 1.00 0.00 O ATOM 1405 CB PHE A 91 -8.674 6.049 4.275 1.00 0.00 C ATOM 1406 CG PHE A 91 -7.192 5.948 4.497 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -6.492 4.824 4.087 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -6.499 6.976 5.116 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -5.129 4.728 4.290 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -5.136 6.885 5.322 1.00 0.00 C ATOM 1411 CZ PHE A 91 -4.449 5.760 4.908 1.00 0.00 C ATOM 0 H PHE A 91 -10.159 3.609 3.862 1.00 0.00 H new ATOM 0 HA PHE A 91 -9.039 5.075 6.156 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.892 5.827 3.230 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.991 7.076 4.456 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.018 4.014 3.603 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.030 7.858 5.441 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.595 3.847 3.966 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.608 7.693 5.806 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.383 5.687 5.067 1.00 0.00 H new ATOM 1421 N ASN A 92 -11.058 6.781 5.965 1.00 0.00 N ATOM 1422 CA ASN A 92 -12.367 7.391 6.167 1.00 0.00 C ATOM 1423 C ASN A 92 -12.277 8.912 6.095 1.00 0.00 C ATOM 1424 O ASN A 92 -13.012 9.620 6.783 1.00 0.00 O ATOM 1425 CB ASN A 92 -12.949 6.965 7.516 1.00 0.00 C ATOM 1426 CG ASN A 92 -13.580 5.588 7.466 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -14.451 5.322 6.638 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -13.142 4.703 8.354 1.00 0.00 N ATOM 0 H ASN A 92 -10.282 7.304 6.371 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.027 7.047 5.370 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -12.160 6.972 8.267 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -13.697 7.693 7.832 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -13.529 3.760 8.368 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -12.418 4.967 9.022 1.00 0.00 H new ATOM 1435 N ASN A 93 -11.371 9.407 5.259 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.184 10.844 5.098 1.00 0.00 C ATOM 1437 C ASN A 93 -10.504 11.159 3.769 1.00 0.00 C ATOM 1438 O ASN A 93 -9.343 10.810 3.557 1.00 0.00 O ATOM 1439 CB ASN A 93 -10.355 11.405 6.254 1.00 0.00 C ATOM 1440 CG ASN A 93 -11.212 11.807 7.438 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -11.553 10.979 8.283 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -11.566 13.086 7.506 1.00 0.00 N ATOM 0 H ASN A 93 -10.755 8.834 4.682 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.167 11.315 5.103 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -9.628 10.658 6.572 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -9.791 12.271 5.907 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -12.143 13.415 8.280 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -11.261 13.739 6.784 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.234 11.822 2.879 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.701 12.184 1.571 1.00 0.00 C ATOM 1451 C ARG A 94 -9.500 13.114 1.711 1.00 0.00 C ATOM 1452 O ARG A 94 -8.555 13.047 0.926 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.784 12.856 0.723 1.00 0.00 C ATOM 1454 CG ARG A 94 -12.573 13.916 1.474 1.00 0.00 C ATOM 1455 CD ARG A 94 -13.357 14.804 0.522 1.00 0.00 C ATOM 1456 NE ARG A 94 -14.655 15.186 1.073 1.00 0.00 N ATOM 1457 CZ ARG A 94 -14.814 16.083 2.044 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -13.760 16.692 2.573 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -16.030 16.371 2.487 1.00 0.00 N ATOM 0 H ARG A 94 -12.196 12.120 3.039 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.375 11.270 1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.319 13.312 -0.151 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.472 12.094 0.357 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.258 13.435 2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.892 14.527 2.066 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.778 15.701 0.303 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.504 14.281 -0.423 1.00 0.00 H new ATOM 0 HE ARG A 94 -15.489 14.739 0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.822 16.474 2.236 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.888 17.378 3.317 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -16.843 15.905 2.084 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -16.152 17.058 3.231 1.00 0.00 H new ATOM 1473 N THR A 95 -9.545 13.981 2.717 1.00 0.00 N ATOM 1474 CA THR A 95 -8.460 14.925 2.961 1.00 0.00 C ATOM 1475 C THR A 95 -7.249 14.218 3.562 1.00 0.00 C ATOM 1476 O THR A 95 -6.108 14.502 3.198 1.00 0.00 O ATOM 1477 CB THR A 95 -8.928 16.042 3.895 1.00 0.00 C ATOM 1478 OG1 THR A 95 -7.909 17.011 4.067 1.00 0.00 O ATOM 1479 CG2 THR A 95 -9.327 15.547 5.268 1.00 0.00 C ATOM 0 H THR A 95 -10.320 14.050 3.376 1.00 0.00 H new ATOM 0 HA THR A 95 -8.168 15.359 2.005 1.00 0.00 H new ATOM 0 HB THR A 95 -9.806 16.472 3.413 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.228 17.718 4.666 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.648 16.390 5.879 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.146 14.834 5.174 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.474 15.060 5.741 1.00 0.00 H new ATOM 1487 N VAL A 96 -7.506 13.296 4.485 1.00 0.00 N ATOM 1488 CA VAL A 96 -6.438 12.549 5.136 1.00 0.00 C ATOM 1489 C VAL A 96 -5.859 11.492 4.201 1.00 0.00 C ATOM 1490 O VAL A 96 -4.651 11.257 4.186 1.00 0.00 O ATOM 1491 CB VAL A 96 -6.934 11.863 6.423 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -5.772 11.239 7.180 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -7.682 12.854 7.302 1.00 0.00 C ATOM 0 H VAL A 96 -8.445 13.049 4.798 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.661 13.269 5.394 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.624 11.066 6.144 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.143 10.760 8.086 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.284 10.495 6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.054 12.014 7.448 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.025 12.351 8.206 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.017 13.674 7.572 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.541 13.247 6.758 1.00 0.00 H new ATOM 1503 N MET A 97 -6.729 10.858 3.422 1.00 0.00 N ATOM 1504 CA MET A 97 -6.305 9.826 2.483 1.00 0.00 C ATOM 1505 C MET A 97 -5.326 10.392 1.459 1.00 0.00 C ATOM 1506 O MET A 97 -4.442 9.686 0.975 1.00 0.00 O ATOM 1507 CB MET A 97 -7.517 9.226 1.770 1.00 0.00 C ATOM 1508 CG MET A 97 -7.237 7.879 1.123 1.00 0.00 C ATOM 1509 SD MET A 97 -8.459 7.443 -0.129 1.00 0.00 S ATOM 1510 CE MET A 97 -7.753 8.224 -1.578 1.00 0.00 C ATOM 0 H MET A 97 -7.732 11.041 3.422 1.00 0.00 H new ATOM 0 HA MET A 97 -5.800 9.042 3.047 1.00 0.00 H new ATOM 0 HB2 MET A 97 -8.331 9.113 2.487 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.860 9.923 1.005 1.00 0.00 H new ATOM 0 HG2 MET A 97 -6.247 7.898 0.668 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.220 7.107 1.893 1.00 0.00 H new ATOM 0 HE1 MET A 97 -8.295 9.144 -1.796 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.704 8.456 -1.392 1.00 0.00 H new ATOM 0 HE3 MET A 97 -7.830 7.548 -2.430 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.491 11.671 1.135 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.622 12.332 0.168 1.00 0.00 C ATOM 1522 C ASP A 98 -3.254 12.624 0.777 1.00 0.00 C ATOM 1523 O ASP A 98 -2.241 12.629 0.078 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.264 13.631 -0.321 1.00 0.00 C ATOM 1525 CG ASP A 98 -6.184 13.412 -1.506 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -6.721 12.293 -1.641 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -6.367 14.359 -2.298 1.00 0.00 O ATOM 0 H ASP A 98 -6.218 12.269 1.528 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.486 11.661 -0.680 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.828 14.083 0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.482 14.338 -0.598 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.233 12.867 2.083 1.00 0.00 N ATOM 1533 CA ASN A 99 -1.990 13.161 2.786 1.00 0.00 C ATOM 1534 C ASN A 99 -1.007 12.001 2.662 1.00 0.00 C ATOM 1535 O ASN A 99 0.183 12.205 2.425 1.00 0.00 O ATOM 1536 CB ASN A 99 -2.269 13.452 4.261 1.00 0.00 C ATOM 1537 CG ASN A 99 -1.367 14.535 4.818 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -0.221 14.277 5.185 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -1.882 15.758 4.884 1.00 0.00 N ATOM 0 H ASN A 99 -4.063 12.866 2.676 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.543 14.043 2.327 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.310 13.754 4.378 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.135 12.538 4.840 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -1.322 16.528 5.250 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -2.837 15.927 4.568 1.00 0.00 H new ATOM 1546 N ILE A 100 -1.514 10.782 2.822 1.00 0.00 N ATOM 1547 CA ILE A 100 -0.680 9.590 2.727 1.00 0.00 C ATOM 1548 C ILE A 100 -0.183 9.382 1.300 1.00 0.00 C ATOM 1549 O ILE A 100 1.019 9.276 1.060 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.442 8.331 3.184 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -2.072 8.558 4.560 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -0.511 7.128 3.215 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -1.057 8.767 5.663 1.00 0.00 C ATOM 0 H ILE A 100 -2.497 10.595 3.018 1.00 0.00 H new ATOM 0 HA ILE A 100 0.173 9.746 3.388 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.240 8.130 2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.728 9.427 4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.697 7.701 4.810 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.065 6.247 3.540 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.107 6.955 2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.307 7.319 3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.575 8.922 6.610 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.416 7.888 5.739 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.448 9.642 5.436 1.00 0.00 H new ATOM 1565 N LYS A 101 -1.117 9.326 0.356 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.774 9.132 -1.048 1.00 0.00 C ATOM 1567 C LYS A 101 0.118 10.263 -1.550 1.00 0.00 C ATOM 1568 O LYS A 101 0.960 10.061 -2.426 1.00 0.00 O ATOM 1569 CB LYS A 101 -2.043 9.050 -1.898 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.775 8.742 -3.363 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.904 9.985 -4.228 1.00 0.00 C ATOM 1572 CE LYS A 101 -3.317 10.145 -4.766 1.00 0.00 C ATOM 1573 NZ LYS A 101 -3.324 10.643 -6.170 1.00 0.00 N ATOM 0 H LYS A 101 -2.117 9.412 0.538 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.226 8.194 -1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.696 8.280 -1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.580 9.996 -1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.774 8.325 -3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.475 7.982 -3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.634 10.865 -3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.202 9.926 -5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.834 9.187 -4.718 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.870 10.838 -4.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -4.306 10.738 -6.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.853 11.569 -6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.818 9.969 -6.780 1.00 0.00 H new ATOM 1587 N MET A 102 -0.073 11.453 -0.991 1.00 0.00 N ATOM 1588 CA MET A 102 0.714 12.617 -1.381 1.00 0.00 C ATOM 1589 C MET A 102 2.110 12.559 -0.769 1.00 0.00 C ATOM 1590 O MET A 102 3.105 12.835 -1.439 1.00 0.00 O ATOM 1591 CB MET A 102 0.008 13.904 -0.950 1.00 0.00 C ATOM 1592 CG MET A 102 0.755 15.168 -1.341 1.00 0.00 C ATOM 1593 SD MET A 102 -0.101 16.668 -0.823 1.00 0.00 S ATOM 1594 CE MET A 102 -1.774 16.301 -1.345 1.00 0.00 C ATOM 0 H MET A 102 -0.766 11.637 -0.266 1.00 0.00 H new ATOM 0 HA MET A 102 0.812 12.611 -2.467 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.987 13.928 -1.393 1.00 0.00 H new ATOM 0 HB3 MET A 102 -0.125 13.891 0.132 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.750 15.150 -0.896 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.890 15.186 -2.422 1.00 0.00 H new ATOM 0 HE1 MET A 102 -2.351 17.225 -1.393 1.00 0.00 H new ATOM 0 HE2 MET A 102 -1.754 15.834 -2.330 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.237 15.621 -0.630 1.00 0.00 H new ATOM 1604 N THR A 103 2.176 12.198 0.509 1.00 0.00 N ATOM 1605 CA THR A 103 3.450 12.104 1.212 1.00 0.00 C ATOM 1606 C THR A 103 4.308 10.982 0.635 1.00 0.00 C ATOM 1607 O THR A 103 5.512 11.146 0.440 1.00 0.00 O ATOM 1608 CB THR A 103 3.216 11.868 2.705 1.00 0.00 C ATOM 1609 OG1 THR A 103 2.420 12.902 3.257 1.00 0.00 O ATOM 1610 CG2 THR A 103 4.497 11.797 3.509 1.00 0.00 C ATOM 0 H THR A 103 1.362 11.966 1.078 1.00 0.00 H new ATOM 0 HA THR A 103 3.981 13.047 1.080 1.00 0.00 H new ATOM 0 HB THR A 103 2.712 10.903 2.769 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.496 12.589 3.350 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.259 11.628 4.559 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.113 10.977 3.140 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.043 12.735 3.407 1.00 0.00 H new ATOM 1618 N LEU A 104 3.679 9.843 0.364 1.00 0.00 N ATOM 1619 CA LEU A 104 4.385 8.693 -0.191 1.00 0.00 C ATOM 1620 C LEU A 104 5.041 9.047 -1.522 1.00 0.00 C ATOM 1621 O LEU A 104 6.174 8.649 -1.792 1.00 0.00 O ATOM 1622 CB LEU A 104 3.423 7.518 -0.377 1.00 0.00 C ATOM 1623 CG LEU A 104 3.362 6.538 0.796 1.00 0.00 C ATOM 1624 CD1 LEU A 104 2.223 6.902 1.736 1.00 0.00 C ATOM 1625 CD2 LEU A 104 3.204 5.112 0.292 1.00 0.00 C ATOM 0 H LEU A 104 2.682 9.691 0.519 1.00 0.00 H new ATOM 0 HA LEU A 104 5.167 8.404 0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.422 7.912 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.712 6.970 -1.274 1.00 0.00 H new ATOM 0 HG LEU A 104 4.299 6.605 1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.195 6.194 2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.379 7.909 2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.278 6.864 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.162 4.429 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.283 5.030 -0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.053 4.854 -0.341 1.00 0.00 H new ATOM 1637 N GLN A 105 4.321 9.796 -2.350 1.00 0.00 N ATOM 1638 CA GLN A 105 4.833 10.203 -3.654 1.00 0.00 C ATOM 1639 C GLN A 105 6.123 11.003 -3.507 1.00 0.00 C ATOM 1640 O GLN A 105 6.988 10.970 -4.382 1.00 0.00 O ATOM 1641 CB GLN A 105 3.786 11.034 -4.399 1.00 0.00 C ATOM 1642 CG GLN A 105 2.849 10.202 -5.260 1.00 0.00 C ATOM 1643 CD GLN A 105 2.564 10.845 -6.603 1.00 0.00 C ATOM 1644 OE1 GLN A 105 2.524 10.170 -7.631 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.366 12.158 -6.599 1.00 0.00 N ATOM 0 H GLN A 105 3.381 10.134 -2.142 1.00 0.00 H new ATOM 0 HA GLN A 105 5.049 9.302 -4.229 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.197 11.596 -3.674 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.295 11.763 -5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.287 9.217 -5.419 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.910 10.051 -4.727 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.409 12.678 -5.722 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.171 12.647 -7.473 1.00 0.00 H new ATOM 1654 N GLN A 106 6.246 11.720 -2.395 1.00 0.00 N ATOM 1655 CA GLN A 106 7.432 12.528 -2.134 1.00 0.00 C ATOM 1656 C GLN A 106 8.583 11.660 -1.635 1.00 0.00 C ATOM 1657 O GLN A 106 9.746 11.918 -1.944 1.00 0.00 O ATOM 1658 CB GLN A 106 7.116 13.617 -1.106 1.00 0.00 C ATOM 1659 CG GLN A 106 6.624 14.914 -1.726 1.00 0.00 C ATOM 1660 CD GLN A 106 7.693 15.989 -1.756 1.00 0.00 C ATOM 1661 OE1 GLN A 106 7.467 17.118 -1.321 1.00 0.00 O ATOM 1662 NE2 GLN A 106 8.867 15.641 -2.271 1.00 0.00 N ATOM 0 H GLN A 106 5.539 11.758 -1.660 1.00 0.00 H new ATOM 0 HA GLN A 106 7.735 12.998 -3.070 1.00 0.00 H new ATOM 0 HB2 GLN A 106 6.360 13.244 -0.415 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.011 13.821 -0.519 1.00 0.00 H new ATOM 0 HG2 GLN A 106 6.281 14.719 -2.742 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.764 15.278 -1.164 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.010 14.693 -2.620 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.625 16.321 -2.317 1.00 0.00 H new ATOM 1671 N ILE A 107 8.250 10.631 -0.863 1.00 0.00 N ATOM 1672 CA ILE A 107 9.256 9.725 -0.322 1.00 0.00 C ATOM 1673 C ILE A 107 9.853 8.850 -1.419 1.00 0.00 C ATOM 1674 O ILE A 107 11.060 8.608 -1.446 1.00 0.00 O ATOM 1675 CB ILE A 107 8.666 8.821 0.778 1.00 0.00 C ATOM 1676 CG1 ILE A 107 7.935 9.664 1.825 1.00 0.00 C ATOM 1677 CG2 ILE A 107 9.764 7.993 1.431 1.00 0.00 C ATOM 1678 CD1 ILE A 107 6.870 8.899 2.580 1.00 0.00 C ATOM 0 H ILE A 107 7.292 10.404 -0.598 1.00 0.00 H new ATOM 0 HA ILE A 107 10.040 10.345 0.112 1.00 0.00 H new ATOM 0 HB ILE A 107 7.948 8.141 0.320 1.00 0.00 H new ATOM 0 HG12 ILE A 107 8.662 10.056 2.536 1.00 0.00 H new ATOM 0 HG13 ILE A 107 7.475 10.521 1.333 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.331 7.360 2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.245 7.368 0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 107 10.504 8.657 1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.393 9.559 3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.122 8.529 1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 107 7.327 8.057 3.100 1.00 0.00 H new ATOM 1690 N ILE A 108 9.001 8.379 -2.324 1.00 0.00 N ATOM 1691 CA ILE A 108 9.445 7.532 -3.424 1.00 0.00 C ATOM 1692 C ILE A 108 10.171 8.349 -4.487 1.00 0.00 C ATOM 1693 O ILE A 108 11.076 7.851 -5.156 1.00 0.00 O ATOM 1694 CB ILE A 108 8.262 6.793 -4.079 1.00 0.00 C ATOM 1695 CG1 ILE A 108 7.410 6.101 -3.013 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.766 5.784 -5.099 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.016 5.751 -3.486 1.00 0.00 C ATOM 0 H ILE A 108 7.999 8.570 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 108 10.131 6.798 -3.001 1.00 0.00 H new ATOM 0 HB ILE A 108 7.640 7.523 -4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 108 7.915 5.190 -2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 108 7.336 6.750 -2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 108 7.918 5.271 -5.552 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.333 6.301 -5.873 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.408 5.056 -4.604 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.470 5.264 -2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 108 5.493 6.661 -3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.080 5.076 -4.340 1.00 0.00 H new ATOM 1709 N SER A 109 9.769 9.607 -4.636 1.00 0.00 N ATOM 1710 CA SER A 109 10.382 10.494 -5.617 1.00 0.00 C ATOM 1711 C SER A 109 11.701 11.055 -5.095 1.00 0.00 C ATOM 1712 O SER A 109 12.621 11.325 -5.866 1.00 0.00 O ATOM 1713 CB SER A 109 9.430 11.640 -5.966 1.00 0.00 C ATOM 1714 OG SER A 109 10.104 12.666 -6.674 1.00 0.00 O ATOM 0 H SER A 109 9.021 10.035 -4.090 1.00 0.00 H new ATOM 0 HA SER A 109 10.585 9.913 -6.517 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.604 11.260 -6.568 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.997 12.048 -5.053 1.00 0.00 H new ATOM 0 HG SER A 109 9.473 13.385 -6.886 1.00 0.00 H new ATOM 1720 N ARG A 110 11.786 11.227 -3.779 1.00 0.00 N ATOM 1721 CA ARG A 110 12.992 11.755 -3.153 1.00 0.00 C ATOM 1722 C ARG A 110 14.163 10.792 -3.330 1.00 0.00 C ATOM 1723 O ARG A 110 15.317 11.212 -3.415 1.00 0.00 O ATOM 1724 CB ARG A 110 12.748 12.013 -1.665 1.00 0.00 C ATOM 1725 CG ARG A 110 12.320 13.438 -1.357 1.00 0.00 C ATOM 1726 CD ARG A 110 12.832 13.892 0.000 1.00 0.00 C ATOM 1727 NE ARG A 110 12.269 15.181 0.395 1.00 0.00 N ATOM 1728 CZ ARG A 110 11.046 15.334 0.897 1.00 0.00 C ATOM 1729 NH1 ARG A 110 10.255 14.281 1.068 1.00 0.00 N ATOM 1730 NH2 ARG A 110 10.612 16.542 1.230 1.00 0.00 N ATOM 0 H ARG A 110 11.033 11.008 -3.126 1.00 0.00 H new ATOM 0 HA ARG A 110 13.243 12.697 -3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 110 11.981 11.327 -1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 110 13.660 11.789 -1.112 1.00 0.00 H new ATOM 0 HG2 ARG A 110 12.695 14.107 -2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 110 11.232 13.505 -1.378 1.00 0.00 H new ATOM 0 HD2 ARG A 110 12.583 13.142 0.751 1.00 0.00 H new ATOM 0 HD3 ARG A 110 13.919 13.965 -0.029 1.00 0.00 H new ATOM 0 HE ARG A 110 12.848 16.013 0.279 1.00 0.00 H new ATOM 0 HH11 ARG A 110 10.584 13.349 0.814 1.00 0.00 H new ATOM 0 HH12 ARG A 110 9.319 14.404 1.453 1.00 0.00 H new ATOM 0 HH21 ARG A 110 11.216 17.354 1.101 1.00 0.00 H new ATOM 0 HH22 ARG A 110 9.675 16.659 1.615 1.00 0.00 H new ATOM 1744 N TYR A 111 13.857 9.500 -3.385 1.00 0.00 N ATOM 1745 CA TYR A 111 14.885 8.478 -3.551 1.00 0.00 C ATOM 1746 C TYR A 111 15.048 8.084 -5.019 1.00 0.00 C ATOM 1747 O TYR A 111 15.747 7.122 -5.336 1.00 0.00 O ATOM 1748 CB TYR A 111 14.540 7.241 -2.718 1.00 0.00 C ATOM 1749 CG TYR A 111 14.057 7.563 -1.321 1.00 0.00 C ATOM 1750 CD1 TYR A 111 14.628 8.596 -0.587 1.00 0.00 C ATOM 1751 CD2 TYR A 111 13.030 6.832 -0.736 1.00 0.00 C ATOM 1752 CE1 TYR A 111 14.189 8.891 0.690 1.00 0.00 C ATOM 1753 CE2 TYR A 111 12.586 7.122 0.540 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.168 8.152 1.248 1.00 0.00 C ATOM 1755 OH TYR A 111 12.728 8.443 2.519 1.00 0.00 O ATOM 0 H TYR A 111 12.907 9.136 -3.317 1.00 0.00 H new ATOM 0 HA TYR A 111 15.830 8.897 -3.204 1.00 0.00 H new ATOM 0 HB2 TYR A 111 13.770 6.668 -3.236 1.00 0.00 H new ATOM 0 HB3 TYR A 111 15.421 6.603 -2.650 1.00 0.00 H new ATOM 0 HD1 TYR A 111 15.428 9.178 -1.021 1.00 0.00 H new ATOM 0 HD2 TYR A 111 12.572 6.024 -1.287 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.644 9.696 1.248 1.00 0.00 H new ATOM 0 HE2 TYR A 111 11.787 6.545 0.981 1.00 0.00 H new ATOM 0 HH TYR A 111 12.398 9.365 2.548 1.00 0.00 H new ATOM 1765 N LYS A 112 14.401 8.830 -5.911 1.00 0.00 N ATOM 1766 CA LYS A 112 14.481 8.550 -7.340 1.00 0.00 C ATOM 1767 C LYS A 112 15.672 9.266 -7.968 1.00 0.00 C ATOM 1768 O LYS A 112 16.678 8.642 -8.304 1.00 0.00 O ATOM 1769 CB LYS A 112 13.188 8.976 -8.038 1.00 0.00 C ATOM 1770 CG LYS A 112 12.095 7.922 -7.990 1.00 0.00 C ATOM 1771 CD LYS A 112 12.085 7.072 -9.250 1.00 0.00 C ATOM 1772 CE LYS A 112 10.730 6.420 -9.472 1.00 0.00 C ATOM 1773 NZ LYS A 112 10.376 6.353 -10.916 1.00 0.00 N ATOM 0 H LYS A 112 13.817 9.631 -5.669 1.00 0.00 H new ATOM 0 HA LYS A 112 14.617 7.476 -7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.819 9.891 -7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.408 9.212 -9.079 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.243 7.283 -7.120 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.126 8.406 -7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.337 7.692 -10.110 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.853 6.302 -9.177 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.738 5.414 -9.053 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.965 6.982 -8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.445 5.902 -11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.343 7.315 -11.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.092 5.795 -11.424 1.00 0.00 H new ATOM 1892 N TRP B 458 -12.056 -5.511 -4.868 1.00 0.00 N ATOM 1893 CA TRP B 458 -10.917 -4.885 -4.206 1.00 0.00 C ATOM 1894 C TRP B 458 -9.770 -4.667 -5.188 1.00 0.00 C ATOM 1895 O TRP B 458 -8.981 -3.734 -5.037 1.00 0.00 O ATOM 1896 CB TRP B 458 -10.447 -5.747 -3.032 1.00 0.00 C ATOM 1897 CG TRP B 458 -10.761 -5.149 -1.694 1.00 0.00 C ATOM 1898 CD1 TRP B 458 -9.917 -5.038 -0.627 1.00 0.00 C ATOM 1899 CD2 TRP B 458 -12.008 -4.578 -1.281 1.00 0.00 C ATOM 1900 NE1 TRP B 458 -10.563 -4.434 0.425 1.00 0.00 N ATOM 1901 CE2 TRP B 458 -11.848 -4.142 0.048 1.00 0.00 C ATOM 1902 CE3 TRP B 458 -13.245 -4.393 -1.906 1.00 0.00 C ATOM 1903 CZ2 TRP B 458 -12.877 -3.534 0.761 1.00 0.00 C ATOM 1904 CZ3 TRP B 458 -14.266 -3.789 -1.197 1.00 0.00 C ATOM 1905 CH2 TRP B 458 -14.076 -3.365 0.125 1.00 0.00 C ATOM 0 HA TRP B 458 -11.235 -3.913 -3.828 1.00 0.00 H new ATOM 0 HB2 TRP B 458 -10.914 -6.729 -3.102 1.00 0.00 H new ATOM 0 HB3 TRP B 458 -9.371 -5.900 -3.110 1.00 0.00 H new ATOM 0 HD1 TRP B 458 -8.891 -5.376 -0.612 1.00 0.00 H new ATOM 0 HE1 TRP B 458 -10.153 -4.235 1.338 1.00 0.00 H new ATOM 0 HE3 TRP B 458 -13.400 -4.716 -2.925 1.00 0.00 H new ATOM 0 HZ2 TRP B 458 -12.734 -3.207 1.780 1.00 0.00 H new ATOM 0 HZ3 TRP B 458 -15.226 -3.641 -1.669 1.00 0.00 H new ATOM 0 HH2 TRP B 458 -14.893 -2.895 0.652 1.00 0.00 H new ATOM 1916 N ASP B 459 -9.681 -5.533 -6.192 1.00 0.00 N ATOM 1917 CA ASP B 459 -8.629 -5.433 -7.197 1.00 0.00 C ATOM 1918 C ASP B 459 -8.976 -4.385 -8.250 1.00 0.00 C ATOM 1919 O ASP B 459 -8.089 -3.769 -8.841 1.00 0.00 O ATOM 1920 CB ASP B 459 -8.404 -6.790 -7.866 1.00 0.00 C ATOM 1921 CG ASP B 459 -7.113 -6.837 -8.658 1.00 0.00 C ATOM 1922 OD1 ASP B 459 -6.594 -5.757 -9.013 1.00 0.00 O ATOM 1923 OD2 ASP B 459 -6.620 -7.953 -8.925 1.00 0.00 O ATOM 0 H ASP B 459 -10.325 -6.312 -6.331 1.00 0.00 H new ATOM 0 HA ASP B 459 -7.712 -5.125 -6.695 1.00 0.00 H new ATOM 0 HB2 ASP B 459 -8.388 -7.569 -7.104 1.00 0.00 H new ATOM 0 HB3 ASP B 459 -9.242 -7.009 -8.528 1.00 0.00 H new ATOM 1928 N TYR B 460 -10.270 -4.188 -8.482 1.00 0.00 N ATOM 1929 CA TYR B 460 -10.731 -3.216 -9.466 1.00 0.00 C ATOM 1930 C TYR B 460 -10.859 -1.828 -8.846 1.00 0.00 C ATOM 1931 O TYR B 460 -10.530 -0.823 -9.477 1.00 0.00 O ATOM 1932 CB TYR B 460 -12.076 -3.651 -10.052 1.00 0.00 C ATOM 1933 CG TYR B 460 -11.948 -4.579 -11.238 1.00 0.00 C ATOM 1934 CD1 TYR B 460 -11.196 -5.745 -11.155 1.00 0.00 C ATOM 1935 CD2 TYR B 460 -12.579 -4.290 -12.442 1.00 0.00 C ATOM 1936 CE1 TYR B 460 -11.077 -6.596 -12.237 1.00 0.00 C ATOM 1937 CE2 TYR B 460 -12.465 -5.137 -13.528 1.00 0.00 C ATOM 1938 CZ TYR B 460 -11.713 -6.288 -13.421 1.00 0.00 C ATOM 1939 OH TYR B 460 -11.597 -7.133 -14.501 1.00 0.00 O ATOM 0 H TYR B 460 -11.018 -4.689 -8.002 1.00 0.00 H new ATOM 0 HA TYR B 460 -9.991 -3.169 -10.265 1.00 0.00 H new ATOM 0 HB2 TYR B 460 -12.658 -4.146 -9.275 1.00 0.00 H new ATOM 0 HB3 TYR B 460 -12.635 -2.765 -10.353 1.00 0.00 H new ATOM 0 HD1 TYR B 460 -10.696 -5.990 -10.229 1.00 0.00 H new ATOM 0 HD2 TYR B 460 -13.168 -3.389 -12.530 1.00 0.00 H new ATOM 0 HE1 TYR B 460 -10.489 -7.498 -12.156 1.00 0.00 H new ATOM 0 HE2 TYR B 460 -12.963 -4.899 -14.456 1.00 0.00 H new ATOM 0 HH TYR B 460 -12.106 -6.771 -15.256 1.00 0.00 H new ATOM 1949 N ILE B 461 -11.341 -1.779 -7.608 1.00 0.00 N ATOM 1950 CA ILE B 461 -11.515 -0.513 -6.905 1.00 0.00 C ATOM 1951 C ILE B 461 -10.192 0.241 -6.792 1.00 0.00 C ATOM 1952 O ILE B 461 -10.168 1.472 -6.777 1.00 0.00 O ATOM 1953 CB ILE B 461 -12.097 -0.729 -5.493 1.00 0.00 C ATOM 1954 CG1 ILE B 461 -12.374 0.616 -4.817 1.00 0.00 C ATOM 1955 CG2 ILE B 461 -11.151 -1.570 -4.649 1.00 0.00 C ATOM 1956 CD1 ILE B 461 -12.953 0.484 -3.425 1.00 0.00 C ATOM 0 H ILE B 461 -11.618 -2.601 -7.071 1.00 0.00 H new ATOM 0 HA ILE B 461 -12.217 0.080 -7.491 1.00 0.00 H new ATOM 0 HB ILE B 461 -13.041 -1.266 -5.586 1.00 0.00 H new ATOM 0 HG12 ILE B 461 -11.446 1.185 -4.763 1.00 0.00 H new ATOM 0 HG13 ILE B 461 -13.064 1.190 -5.436 1.00 0.00 H new ATOM 0 HG21 ILE B 461 -11.578 -1.712 -3.656 1.00 0.00 H new ATOM 0 HG22 ILE B 461 -11.005 -2.540 -5.124 1.00 0.00 H new ATOM 0 HG23 ILE B 461 -10.191 -1.061 -4.562 1.00 0.00 H new ATOM 0 HD11 ILE B 461 -13.124 1.476 -3.006 1.00 0.00 H new ATOM 0 HD12 ILE B 461 -13.898 -0.057 -3.474 1.00 0.00 H new ATOM 0 HD13 ILE B 461 -12.255 -0.062 -2.791 1.00 0.00 H new ATOM 1968 N PHE B 462 -9.095 -0.504 -6.711 1.00 0.00 N ATOM 1969 CA PHE B 462 -7.771 0.095 -6.598 1.00 0.00 C ATOM 1970 C PHE B 462 -7.102 0.204 -7.965 1.00 0.00 C ATOM 1971 O PHE B 462 -6.498 1.226 -8.291 1.00 0.00 O ATOM 1972 CB PHE B 462 -6.895 -0.727 -5.652 1.00 0.00 C ATOM 1973 CG PHE B 462 -7.097 -0.389 -4.203 1.00 0.00 C ATOM 1974 CD1 PHE B 462 -6.746 0.860 -3.714 1.00 0.00 C ATOM 1975 CD2 PHE B 462 -7.639 -1.318 -3.330 1.00 0.00 C ATOM 1976 CE1 PHE B 462 -6.933 1.174 -2.381 1.00 0.00 C ATOM 1977 CE2 PHE B 462 -7.828 -1.009 -1.996 1.00 0.00 C ATOM 1978 CZ PHE B 462 -7.474 0.238 -1.521 1.00 0.00 C ATOM 0 H PHE B 462 -9.097 -1.524 -6.722 1.00 0.00 H new ATOM 0 HA PHE B 462 -7.889 1.100 -6.192 1.00 0.00 H new ATOM 0 HB2 PHE B 462 -7.106 -1.786 -5.803 1.00 0.00 H new ATOM 0 HB3 PHE B 462 -5.848 -0.570 -5.911 1.00 0.00 H new ATOM 0 HD1 PHE B 462 -6.322 1.595 -4.382 1.00 0.00 H new ATOM 0 HD2 PHE B 462 -7.917 -2.295 -3.696 1.00 0.00 H new ATOM 0 HE1 PHE B 462 -6.656 2.151 -2.012 1.00 0.00 H new ATOM 0 HE2 PHE B 462 -8.252 -1.742 -1.326 1.00 0.00 H new ATOM 0 HZ PHE B 462 -7.620 0.481 -0.479 1.00 0.00 H new ATOM 1988 N GLU B 463 -7.214 -0.855 -8.759 1.00 0.00 N ATOM 1989 CA GLU B 463 -6.620 -0.878 -10.091 1.00 0.00 C ATOM 1990 C GLU B 463 -7.192 0.236 -10.961 1.00 0.00 C ATOM 1991 O GLU B 463 -6.506 0.772 -11.832 1.00 0.00 O ATOM 1992 CB GLU B 463 -6.858 -2.235 -10.756 1.00 0.00 C ATOM 1993 CG GLU B 463 -6.250 -2.347 -12.145 1.00 0.00 C ATOM 1994 CD GLU B 463 -6.874 -3.458 -12.966 1.00 0.00 C ATOM 1995 OE1 GLU B 463 -8.041 -3.304 -13.383 1.00 0.00 O ATOM 1996 OE2 GLU B 463 -6.196 -4.483 -13.192 1.00 0.00 O ATOM 0 H GLU B 463 -7.710 -1.709 -8.504 1.00 0.00 H new ATOM 0 HA GLU B 463 -5.547 -0.717 -9.986 1.00 0.00 H new ATOM 0 HB2 GLU B 463 -6.443 -3.019 -10.122 1.00 0.00 H new ATOM 0 HB3 GLU B 463 -7.931 -2.414 -10.823 1.00 0.00 H new ATOM 0 HG2 GLU B 463 -6.374 -1.399 -12.669 1.00 0.00 H new ATOM 0 HG3 GLU B 463 -5.178 -2.524 -12.055 1.00 0.00 H new