USER MOD reduce.3.24.130724 H: found=0, std=0, add=1378, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1380 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: B 71 LYS NZ :NH3+ 175:sc= -0.0936 (180deg=-0.13) USER MOD Set 1.2: B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 55 HIS :FLIP no HE2:sc= -8.35! C(o=-13!,f=-8.7!) USER MOD Set 2.2: B 67 THR OG1 : rot -90:sc= -0.299 USER MOD Set 2.3: B 88 SER OG : rot 140:sc= 0 USER MOD Set 3.1: B 32 TYR OH : rot 180:sc= 0.196 USER MOD Set 3.2: B 41 HIS : no HE2:sc= -11.2! C(o=-11!,f=-14!) USER MOD Set 4.1: B 13 MET CE :methyl 162:sc= -0.336 (180deg=-0.737) USER MOD Set 4.2: B 17 MET CE :methyl 149:sc= -8.13! (180deg=-13.3!) USER MOD Set 4.3: B 50 TYR OH : rot -3:sc= -1.9! USER MOD Set 5.1: A 64 SER OG : rot -126:sc= -0.605 USER MOD Set 5.2: A 75 TYR OH : rot 15:sc= 1 USER MOD Set 6.1: A 43 LYS NZ :NH3+ 143:sc= 0.179 (180deg=-0.0194) USER MOD Set 6.2: B 65 TYR OH : rot 130:sc= 0.108 USER MOD Set 7.1: A 32 TYR OH : rot 180:sc= 0.703 USER MOD Set 7.2: A 41 HIS : no HE2:sc= -16.5! C(o=-16!,f=-22!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.016) USER MOD Single : A 13 MET CE :methyl 138:sc= -0.253 (180deg=-0.936) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 164:sc= -1.92 (180deg=-3.82) USER MOD Single : A 18 GLN : amide:sc= -11.4! C(o=-11!,f=-13!) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.062 F(o=-0.58,f=-0.062) USER MOD Single : A 21 SER OG : rot -76:sc= -2.35! USER MOD Single : A 24 CYS SG : rot 168:sc= -0.886! USER MOD Single : A 26 THR OG1 : rot 73:sc= 0.448 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.549 K(o=-0.55,f=-1.6!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -2.37! USER MOD Single : A 51 ASN :FLIP amide:sc= -0.421 F(o=-3.4!,f=-0.42) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot -58:sc= -4.34! USER MOD Single : A 61 ASN : amide:sc= -1.89! C(o=-1.9!,f=-1.9!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 170:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.776 K(o=-0.78,f=-4.9!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -4.57! C(o=-4.6!,f=-5.7!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc=-0.00563 (180deg=-0.00563) USER MOD Single : A 88 SER OG : rot -51:sc= -3.53! USER MOD Single : B 5 LYS NZ :NH3+ 169:sc= -0.809! (180deg=-1.2!) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN :FLIP amide:sc= -1.79 F(o=-4!,f=-1.8) USER MOD Single : B 14 SER OG : rot 180:sc= -0.0425 USER MOD Single : B 18 GLN :FLIP amide:sc= -6.67! C(o=-7.3!,f=-6.7!) USER MOD Single : B 19 GLN :FLIP amide:sc= -0.181 F(o=-0.81,f=-0.18) USER MOD Single : B 21 SER OG : rot 52:sc= -4.19! USER MOD Single : B 24 CYS SG : rot 42:sc= -4.81! USER MOD Single : B 26 THR OG1 : rot 71:sc= 0.392 USER MOD Single : B 27 GLN : amide:sc= -0.365 X(o=-0.37,f=-0.36) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 ASN :FLIP amide:sc= 0.0921 F(o=-1.3!,f=0.092) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0821) USER MOD Single : B 44 LYS NZ :NH3+ -150:sc= -0.173 (180deg=-0.811) USER MOD Single : B 48 LYS NZ :NH3+ 143:sc= -1.97! (180deg=-3.76!) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : B 53 THR OG1 : rot 103:sc= 0.651 USER MOD Single : B 55 HIS :FLIP no HD1:sc= -24.6! C(o=-26!,f=-25!) USER MOD Single : B 56 CYS SG : rot 60:sc= -6.31! USER MOD Single : B 61 ASN :FLIP amide:sc= 0.0335! C(o=-2.1!,f=0.034!) USER MOD Single : B 64 SER OG : rot 25:sc= -5.53! USER MOD Single : B 68 HIS : no HD1:sc= -31.5! C(o=-32!,f=-39!) USER MOD Single : B 70 THR OG1 : rot 180:sc= 0 USER MOD Single : B 72 HIS : no HD1:sc= -4.57! C(o=-4.6!,f=-6!) USER MOD Single : B 75 TYR OH : rot 131:sc= 1.4 USER MOD Single : B 77 TYR OH : rot 48:sc= -1.1! USER MOD Single : B 80 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 67 N LYS A 5 -18.486 7.293 7.163 1.00 0.00 N ATOM 68 CA LYS A 5 -17.476 6.738 8.057 1.00 0.00 C ATOM 69 C LYS A 5 -16.099 7.315 7.744 1.00 0.00 C ATOM 70 O LYS A 5 -15.974 8.280 6.990 1.00 0.00 O ATOM 71 CB LYS A 5 -17.439 5.214 7.938 1.00 0.00 C ATOM 72 CG LYS A 5 -17.282 4.502 9.272 1.00 0.00 C ATOM 73 CD LYS A 5 -18.299 3.384 9.432 1.00 0.00 C ATOM 74 CE LYS A 5 -19.201 3.618 10.633 1.00 0.00 C ATOM 75 NZ LYS A 5 -19.846 2.358 11.097 1.00 0.00 N ATOM 0 HA LYS A 5 -17.743 7.009 9.078 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -18.357 4.873 7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -16.614 4.929 7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.275 4.093 9.350 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.398 5.220 10.084 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -18.905 3.311 8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.780 2.432 9.546 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.617 4.048 11.447 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -19.970 4.345 10.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -20.453 2.560 11.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -20.423 1.960 10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.113 1.673 11.369 1.00 0.00 H new ATOM 89 N ALA A 6 -15.069 6.712 8.325 1.00 0.00 N ATOM 90 CA ALA A 6 -13.697 7.156 8.110 1.00 0.00 C ATOM 91 C ALA A 6 -13.487 8.586 8.592 1.00 0.00 C ATOM 92 O ALA A 6 -14.444 9.313 8.860 1.00 0.00 O ATOM 93 CB ALA A 6 -13.330 7.040 6.640 1.00 0.00 C ATOM 0 H ALA A 6 -15.158 5.911 8.951 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.044 6.508 8.695 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.303 7.375 6.494 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.422 6.001 6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.002 7.661 6.047 1.00 0.00 H new ATOM 99 N VAL A 7 -12.223 8.981 8.695 1.00 0.00 N ATOM 100 CA VAL A 7 -11.868 10.322 9.137 1.00 0.00 C ATOM 101 C VAL A 7 -10.790 10.919 8.240 1.00 0.00 C ATOM 102 O VAL A 7 -9.637 11.056 8.646 1.00 0.00 O ATOM 103 CB VAL A 7 -11.365 10.319 10.593 1.00 0.00 C ATOM 104 CG1 VAL A 7 -10.802 11.681 10.969 1.00 0.00 C ATOM 105 CG2 VAL A 7 -12.482 9.915 11.543 1.00 0.00 C ATOM 0 H VAL A 7 -11.423 8.386 8.477 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.771 10.929 9.076 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.563 9.586 10.678 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.452 11.658 12.001 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.970 11.925 10.309 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -11.580 12.437 10.867 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -12.108 9.919 12.567 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -13.307 10.622 11.456 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.832 8.915 11.288 1.00 0.00 H new ATOM 115 N ILE A 8 -11.173 11.265 7.016 1.00 0.00 N ATOM 116 CA ILE A 8 -10.237 11.841 6.059 1.00 0.00 C ATOM 117 C ILE A 8 -9.169 12.671 6.771 1.00 0.00 C ATOM 118 O ILE A 8 -9.403 13.216 7.850 1.00 0.00 O ATOM 119 CB ILE A 8 -10.985 12.692 4.992 1.00 0.00 C ATOM 120 CG1 ILE A 8 -11.146 11.882 3.705 1.00 0.00 C ATOM 121 CG2 ILE A 8 -10.275 14.012 4.693 1.00 0.00 C ATOM 122 CD1 ILE A 8 -12.367 10.991 3.701 1.00 0.00 C ATOM 0 H ILE A 8 -12.124 11.157 6.664 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.736 11.021 5.543 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.964 12.940 5.402 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.203 12.567 2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.258 11.268 3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -10.839 14.566 3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.207 14.604 5.606 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.272 13.809 4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.417 10.447 2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.303 10.282 4.526 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.263 11.601 3.816 1.00 0.00 H new ATOM 134 N LYS A 9 -8.001 12.761 6.149 1.00 0.00 N ATOM 135 CA LYS A 9 -6.888 13.521 6.707 1.00 0.00 C ATOM 136 C LYS A 9 -6.116 14.227 5.600 1.00 0.00 C ATOM 137 O LYS A 9 -5.273 15.084 5.863 1.00 0.00 O ATOM 138 CB LYS A 9 -5.947 12.599 7.486 1.00 0.00 C ATOM 139 CG LYS A 9 -6.573 12.004 8.737 1.00 0.00 C ATOM 140 CD LYS A 9 -6.466 12.954 9.919 1.00 0.00 C ATOM 141 CE LYS A 9 -7.834 13.415 10.392 1.00 0.00 C ATOM 142 NZ LYS A 9 -7.880 14.886 10.608 1.00 0.00 N ATOM 0 H LYS A 9 -7.798 12.316 5.254 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.295 14.269 7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.622 11.789 6.832 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.055 13.159 7.768 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.622 11.775 8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.080 11.063 8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.945 12.459 10.738 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.867 13.820 9.637 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.587 13.133 9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.088 12.904 11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.830 15.160 10.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.180 15.153 11.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.663 15.375 9.716 1.00 0.00 H new ATOM 156 N ASN A 10 -6.411 13.855 4.360 1.00 0.00 N ATOM 157 CA ASN A 10 -5.748 14.442 3.204 1.00 0.00 C ATOM 158 C ASN A 10 -6.274 13.824 1.916 1.00 0.00 C ATOM 159 O ASN A 10 -5.928 12.694 1.573 1.00 0.00 O ATOM 160 CB ASN A 10 -4.236 14.244 3.300 1.00 0.00 C ATOM 161 CG ASN A 10 -3.462 15.486 2.905 1.00 0.00 C ATOM 162 OD1 ASN A 10 -2.626 15.450 2.002 1.00 0.00 O ATOM 163 ND2 ASN A 10 -3.739 16.595 3.581 1.00 0.00 N ATOM 0 H ASN A 10 -7.108 13.147 4.130 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.963 15.511 3.192 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.973 13.965 4.321 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.940 13.415 2.657 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.251 17.463 3.359 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.440 16.579 4.322 1.00 0.00 H new ATOM 170 N ALA A 11 -7.120 14.566 1.211 1.00 0.00 N ATOM 171 CA ALA A 11 -7.700 14.083 -0.034 1.00 0.00 C ATOM 172 C ALA A 11 -7.771 15.185 -1.083 1.00 0.00 C ATOM 173 O ALA A 11 -8.268 16.279 -0.818 1.00 0.00 O ATOM 174 CB ALA A 11 -9.085 13.512 0.223 1.00 0.00 C ATOM 0 H ALA A 11 -7.419 15.503 1.481 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.053 13.297 -0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.510 13.153 -0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.012 12.684 0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.727 14.288 0.639 1.00 0.00 H new ATOM 180 N ASP A 12 -7.280 14.882 -2.280 1.00 0.00 N ATOM 181 CA ASP A 12 -7.295 15.836 -3.380 1.00 0.00 C ATOM 182 C ASP A 12 -8.070 15.269 -4.560 1.00 0.00 C ATOM 183 O ASP A 12 -7.858 15.662 -5.708 1.00 0.00 O ATOM 184 CB ASP A 12 -5.869 16.188 -3.807 1.00 0.00 C ATOM 185 CG ASP A 12 -5.048 16.759 -2.668 1.00 0.00 C ATOM 186 OD1 ASP A 12 -5.615 16.970 -1.575 1.00 0.00 O ATOM 187 OD2 ASP A 12 -3.837 16.995 -2.869 1.00 0.00 O ATOM 0 H ASP A 12 -6.866 13.979 -2.512 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.789 16.746 -3.039 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.378 15.295 -4.193 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.905 16.910 -4.623 1.00 0.00 H new ATOM 192 N MET A 13 -8.968 14.339 -4.264 1.00 0.00 N ATOM 193 CA MET A 13 -9.785 13.704 -5.291 1.00 0.00 C ATOM 194 C MET A 13 -11.206 14.257 -5.271 1.00 0.00 C ATOM 195 O MET A 13 -11.583 14.992 -4.358 1.00 0.00 O ATOM 196 CB MET A 13 -9.809 12.189 -5.086 1.00 0.00 C ATOM 197 CG MET A 13 -10.823 11.472 -5.962 1.00 0.00 C ATOM 198 SD MET A 13 -10.336 9.778 -6.343 1.00 0.00 S ATOM 199 CE MET A 13 -10.145 9.101 -4.695 1.00 0.00 C ATOM 0 H MET A 13 -9.150 14.006 -3.317 1.00 0.00 H new ATOM 0 HA MET A 13 -9.343 13.924 -6.263 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.817 11.787 -5.290 1.00 0.00 H new ATOM 0 HB3 MET A 13 -10.030 11.976 -4.040 1.00 0.00 H new ATOM 0 HG2 MET A 13 -11.790 11.464 -5.459 1.00 0.00 H new ATOM 0 HG3 MET A 13 -10.951 12.027 -6.891 1.00 0.00 H new ATOM 0 HE1 MET A 13 -10.573 8.099 -4.661 1.00 0.00 H new ATOM 0 HE2 MET A 13 -9.086 9.052 -4.442 1.00 0.00 H new ATOM 0 HE3 MET A 13 -10.660 9.740 -3.977 1.00 0.00 H new ATOM 209 N SER A 14 -11.988 13.901 -6.282 1.00 0.00 N ATOM 210 CA SER A 14 -13.368 14.364 -6.378 1.00 0.00 C ATOM 211 C SER A 14 -14.090 14.202 -5.045 1.00 0.00 C ATOM 212 O SER A 14 -13.931 13.191 -4.362 1.00 0.00 O ATOM 213 CB SER A 14 -14.112 13.593 -7.470 1.00 0.00 C ATOM 214 OG SER A 14 -14.593 14.469 -8.476 1.00 0.00 O ATOM 0 H SER A 14 -11.692 13.294 -7.046 1.00 0.00 H new ATOM 0 HA SER A 14 -13.352 15.423 -6.636 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.446 12.854 -7.915 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.946 13.047 -7.030 1.00 0.00 H new ATOM 0 HG SER A 14 -15.063 13.952 -9.163 1.00 0.00 H new ATOM 220 N GLU A 15 -14.888 15.202 -4.684 1.00 0.00 N ATOM 221 CA GLU A 15 -15.638 15.168 -3.434 1.00 0.00 C ATOM 222 C GLU A 15 -16.399 13.853 -3.300 1.00 0.00 C ATOM 223 O GLU A 15 -16.118 13.049 -2.411 1.00 0.00 O ATOM 224 CB GLU A 15 -16.610 16.347 -3.370 1.00 0.00 C ATOM 225 CG GLU A 15 -15.920 17.703 -3.347 1.00 0.00 C ATOM 226 CD GLU A 15 -15.796 18.318 -4.728 1.00 0.00 C ATOM 227 OE1 GLU A 15 -16.564 17.918 -5.628 1.00 0.00 O ATOM 228 OE2 GLU A 15 -14.931 19.202 -4.908 1.00 0.00 O ATOM 0 H GLU A 15 -15.032 16.045 -5.239 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.933 15.245 -2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -17.279 16.303 -4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -17.230 16.249 -2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.479 18.380 -2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.927 17.594 -2.911 1.00 0.00 H new ATOM 235 N GLU A 16 -17.357 13.634 -4.193 1.00 0.00 N ATOM 236 CA GLU A 16 -18.144 12.409 -4.171 1.00 0.00 C ATOM 237 C GLU A 16 -17.229 11.196 -4.300 1.00 0.00 C ATOM 238 O GLU A 16 -17.623 10.070 -3.996 1.00 0.00 O ATOM 239 CB GLU A 16 -19.176 12.415 -5.301 1.00 0.00 C ATOM 240 CG GLU A 16 -19.856 11.071 -5.511 1.00 0.00 C ATOM 241 CD GLU A 16 -21.243 11.204 -6.110 1.00 0.00 C ATOM 242 OE1 GLU A 16 -22.127 11.776 -5.439 1.00 0.00 O ATOM 243 OE2 GLU A 16 -21.444 10.735 -7.250 1.00 0.00 O ATOM 0 H GLU A 16 -17.606 14.285 -4.937 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.673 12.353 -3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.935 13.167 -5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.686 12.714 -6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.240 10.455 -6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.926 10.550 -4.556 1.00 0.00 H new ATOM 250 N MET A 17 -15.999 11.441 -4.746 1.00 0.00 N ATOM 251 CA MET A 17 -15.015 10.379 -4.911 1.00 0.00 C ATOM 252 C MET A 17 -14.348 10.052 -3.580 1.00 0.00 C ATOM 253 O MET A 17 -14.095 8.888 -3.270 1.00 0.00 O ATOM 254 CB MET A 17 -13.957 10.786 -5.940 1.00 0.00 C ATOM 255 CG MET A 17 -14.373 10.523 -7.377 1.00 0.00 C ATOM 256 SD MET A 17 -13.407 9.212 -8.150 1.00 0.00 S ATOM 257 CE MET A 17 -13.756 7.843 -7.050 1.00 0.00 C ATOM 0 H MET A 17 -15.661 12.369 -5.000 1.00 0.00 H new ATOM 0 HA MET A 17 -15.532 9.489 -5.270 1.00 0.00 H new ATOM 0 HB2 MET A 17 -13.737 11.847 -5.823 1.00 0.00 H new ATOM 0 HB3 MET A 17 -13.034 10.245 -5.733 1.00 0.00 H new ATOM 0 HG2 MET A 17 -15.429 10.254 -7.402 1.00 0.00 H new ATOM 0 HG3 MET A 17 -14.264 11.440 -7.957 1.00 0.00 H new ATOM 0 HE1 MET A 17 -13.475 6.907 -7.533 1.00 0.00 H new ATOM 0 HE2 MET A 17 -13.186 7.962 -6.129 1.00 0.00 H new ATOM 0 HE3 MET A 17 -14.821 7.825 -6.818 1.00 0.00 H new ATOM 267 N GLN A 18 -14.074 11.088 -2.790 1.00 0.00 N ATOM 268 CA GLN A 18 -13.446 10.903 -1.487 1.00 0.00 C ATOM 269 C GLN A 18 -14.397 10.178 -0.546 1.00 0.00 C ATOM 270 O GLN A 18 -13.984 9.325 0.241 1.00 0.00 O ATOM 271 CB GLN A 18 -13.032 12.251 -0.889 1.00 0.00 C ATOM 272 CG GLN A 18 -13.657 13.445 -1.585 1.00 0.00 C ATOM 273 CD GLN A 18 -12.638 14.501 -1.965 1.00 0.00 C ATOM 274 OE1 GLN A 18 -12.991 15.573 -2.456 1.00 0.00 O ATOM 275 NE2 GLN A 18 -11.363 14.201 -1.743 1.00 0.00 N ATOM 0 H GLN A 18 -14.276 12.059 -3.029 1.00 0.00 H new ATOM 0 HA GLN A 18 -12.549 10.297 -1.619 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.308 12.271 0.165 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.947 12.341 -0.936 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.175 13.107 -2.482 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.408 13.889 -0.931 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.115 13.300 -1.334 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.632 14.871 -1.982 1.00 0.00 H new ATOM 284 N GLN A 19 -15.680 10.510 -0.648 1.00 0.00 N ATOM 285 CA GLN A 19 -16.697 9.876 0.177 1.00 0.00 C ATOM 286 C GLN A 19 -16.967 8.475 -0.345 1.00 0.00 C ATOM 287 O GLN A 19 -17.190 7.540 0.425 1.00 0.00 O ATOM 288 CB GLN A 19 -17.986 10.700 0.174 1.00 0.00 C ATOM 289 CG GLN A 19 -17.884 11.992 0.970 1.00 0.00 C ATOM 290 CD GLN A 19 -18.431 13.186 0.213 1.00 0.00 C ATOM 291 OE1 GLN A 19 -17.535 14.019 -0.303 1.00 0.00 O flip ATOM 292 NE2 GLN A 19 -19.644 13.359 0.095 1.00 0.00 N flip ATOM 0 H GLN A 19 -16.038 11.214 -1.294 1.00 0.00 H new ATOM 0 HA GLN A 19 -16.336 9.817 1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -18.253 10.937 -0.856 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -18.795 10.095 0.582 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -18.428 11.881 1.908 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.841 12.175 1.226 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -20.297 12.693 0.508 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -19.996 14.168 -0.416 1.00 0.00 H new ATOM 301 N ASP A 20 -16.919 8.336 -1.667 1.00 0.00 N ATOM 302 CA ASP A 20 -17.135 7.048 -2.302 1.00 0.00 C ATOM 303 C ASP A 20 -15.962 6.128 -1.999 1.00 0.00 C ATOM 304 O ASP A 20 -16.130 4.923 -1.816 1.00 0.00 O ATOM 305 CB ASP A 20 -17.298 7.212 -3.815 1.00 0.00 C ATOM 306 CG ASP A 20 -18.753 7.279 -4.235 1.00 0.00 C ATOM 307 OD1 ASP A 20 -19.551 6.454 -3.743 1.00 0.00 O ATOM 308 OD2 ASP A 20 -19.094 8.156 -5.056 1.00 0.00 O ATOM 0 H ASP A 20 -16.732 9.101 -2.315 1.00 0.00 H new ATOM 0 HA ASP A 20 -18.051 6.610 -1.906 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -16.788 8.120 -4.136 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -16.814 6.378 -4.323 1.00 0.00 H new ATOM 313 N SER A 21 -14.772 6.717 -1.926 1.00 0.00 N ATOM 314 CA SER A 21 -13.567 5.963 -1.621 1.00 0.00 C ATOM 315 C SER A 21 -13.662 5.390 -0.216 1.00 0.00 C ATOM 316 O SER A 21 -13.364 4.217 0.010 1.00 0.00 O ATOM 317 CB SER A 21 -12.332 6.857 -1.744 1.00 0.00 C ATOM 318 OG SER A 21 -11.316 6.449 -0.846 1.00 0.00 O ATOM 0 H SER A 21 -14.619 7.715 -2.074 1.00 0.00 H new ATOM 0 HA SER A 21 -13.472 5.145 -2.335 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.954 6.822 -2.766 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.607 7.892 -1.541 1.00 0.00 H new ATOM 0 HG SER A 21 -11.546 6.738 0.062 1.00 0.00 H new ATOM 324 N VAL A 22 -14.095 6.224 0.725 1.00 0.00 N ATOM 325 CA VAL A 22 -14.247 5.794 2.105 1.00 0.00 C ATOM 326 C VAL A 22 -15.163 4.582 2.183 1.00 0.00 C ATOM 327 O VAL A 22 -14.817 3.566 2.784 1.00 0.00 O ATOM 328 CB VAL A 22 -14.824 6.909 2.991 1.00 0.00 C ATOM 329 CG1 VAL A 22 -15.116 6.375 4.385 1.00 0.00 C ATOM 330 CG2 VAL A 22 -13.873 8.093 3.054 1.00 0.00 C ATOM 0 H VAL A 22 -14.345 7.198 0.555 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.253 5.538 2.471 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.760 7.253 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.524 7.175 5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.839 5.562 4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.194 6.005 4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.301 8.871 3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.919 7.771 3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.716 8.487 2.050 1.00 0.00 H new ATOM 340 N GLU A 23 -16.335 4.695 1.561 1.00 0.00 N ATOM 341 CA GLU A 23 -17.300 3.604 1.551 1.00 0.00 C ATOM 342 C GLU A 23 -16.669 2.346 0.966 1.00 0.00 C ATOM 343 O GLU A 23 -16.969 1.233 1.394 1.00 0.00 O ATOM 344 CB GLU A 23 -18.538 3.996 0.743 1.00 0.00 C ATOM 345 CG GLU A 23 -19.212 5.264 1.242 1.00 0.00 C ATOM 346 CD GLU A 23 -20.026 5.036 2.502 1.00 0.00 C ATOM 347 OE1 GLU A 23 -19.544 4.311 3.397 1.00 0.00 O ATOM 348 OE2 GLU A 23 -21.144 5.584 2.592 1.00 0.00 O ATOM 0 H GLU A 23 -16.636 5.530 1.059 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.603 3.400 2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -18.253 4.132 -0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.256 3.176 0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.453 6.022 1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -19.862 5.657 0.460 1.00 0.00 H new ATOM 355 N CYS A 24 -15.779 2.535 -0.005 1.00 0.00 N ATOM 356 CA CYS A 24 -15.090 1.416 -0.635 1.00 0.00 C ATOM 357 C CYS A 24 -14.127 0.780 0.360 1.00 0.00 C ATOM 358 O CYS A 24 -13.941 -0.439 0.378 1.00 0.00 O ATOM 359 CB CYS A 24 -14.329 1.884 -1.877 1.00 0.00 C ATOM 360 SG CYS A 24 -14.357 0.706 -3.249 1.00 0.00 S ATOM 0 H CYS A 24 -15.520 3.451 -0.371 1.00 0.00 H new ATOM 0 HA CYS A 24 -15.829 0.677 -0.943 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -14.754 2.829 -2.215 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -13.293 2.080 -1.602 1.00 0.00 H new ATOM 0 HG CYS A 24 -13.914 1.284 -4.326 1.00 0.00 H new ATOM 366 N ALA A 25 -13.547 1.617 1.214 1.00 0.00 N ATOM 367 CA ALA A 25 -12.636 1.147 2.240 1.00 0.00 C ATOM 368 C ALA A 25 -13.441 0.432 3.299 1.00 0.00 C ATOM 369 O ALA A 25 -13.036 -0.601 3.833 1.00 0.00 O ATOM 370 CB ALA A 25 -11.870 2.314 2.846 1.00 0.00 C ATOM 0 H ALA A 25 -13.695 2.626 1.212 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.907 0.463 1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.191 1.944 3.614 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.297 2.817 2.067 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.573 3.018 3.292 1.00 0.00 H new ATOM 376 N THR A 26 -14.609 0.995 3.566 1.00 0.00 N ATOM 377 CA THR A 26 -15.535 0.442 4.529 1.00 0.00 C ATOM 378 C THR A 26 -16.075 -0.885 4.018 1.00 0.00 C ATOM 379 O THR A 26 -16.251 -1.832 4.779 1.00 0.00 O ATOM 380 CB THR A 26 -16.679 1.423 4.755 1.00 0.00 C ATOM 381 OG1 THR A 26 -16.180 2.702 5.106 1.00 0.00 O ATOM 382 CG2 THR A 26 -17.630 0.990 5.838 1.00 0.00 C ATOM 0 H THR A 26 -14.938 1.850 3.117 1.00 0.00 H new ATOM 0 HA THR A 26 -15.020 0.272 5.474 1.00 0.00 H new ATOM 0 HB THR A 26 -17.222 1.456 3.811 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.783 3.126 4.317 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.420 1.733 5.947 1.00 0.00 H new ATOM 0 HG22 THR A 26 -18.070 0.029 5.573 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.090 0.894 6.780 1.00 0.00 H new ATOM 390 N GLN A 27 -16.315 -0.946 2.711 1.00 0.00 N ATOM 391 CA GLN A 27 -16.811 -2.161 2.084 1.00 0.00 C ATOM 392 C GLN A 27 -15.833 -3.296 2.333 1.00 0.00 C ATOM 393 O GLN A 27 -16.223 -4.406 2.691 1.00 0.00 O ATOM 394 CB GLN A 27 -16.998 -1.948 0.580 1.00 0.00 C ATOM 395 CG GLN A 27 -18.453 -1.843 0.156 1.00 0.00 C ATOM 396 CD GLN A 27 -18.708 -2.458 -1.207 1.00 0.00 C ATOM 397 OE1 GLN A 27 -19.345 -3.506 -1.319 1.00 0.00 O ATOM 398 NE2 GLN A 27 -18.213 -1.805 -2.252 1.00 0.00 N ATOM 0 H GLN A 27 -16.173 -0.167 2.068 1.00 0.00 H new ATOM 0 HA GLN A 27 -17.778 -2.416 2.518 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.475 -1.039 0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -16.531 -2.774 0.044 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -19.080 -2.338 0.897 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -18.748 -0.794 0.138 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.691 -0.940 -2.112 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.355 -2.169 -3.194 1.00 0.00 H new ATOM 407 N ALA A 28 -14.551 -2.991 2.164 1.00 0.00 N ATOM 408 CA ALA A 28 -13.500 -3.971 2.393 1.00 0.00 C ATOM 409 C ALA A 28 -13.346 -4.218 3.885 1.00 0.00 C ATOM 410 O ALA A 28 -12.919 -5.290 4.313 1.00 0.00 O ATOM 411 CB ALA A 28 -12.184 -3.491 1.797 1.00 0.00 C ATOM 0 H ALA A 28 -14.217 -2.073 1.870 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.775 -4.905 1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.409 -4.236 1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.303 -3.344 0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.896 -2.548 2.262 1.00 0.00 H new ATOM 417 N LEU A 29 -13.708 -3.209 4.673 1.00 0.00 N ATOM 418 CA LEU A 29 -13.624 -3.298 6.122 1.00 0.00 C ATOM 419 C LEU A 29 -14.732 -4.185 6.676 1.00 0.00 C ATOM 420 O LEU A 29 -14.533 -4.915 7.648 1.00 0.00 O ATOM 421 CB LEU A 29 -13.713 -1.907 6.741 1.00 0.00 C ATOM 422 CG LEU A 29 -12.425 -1.092 6.659 1.00 0.00 C ATOM 423 CD1 LEU A 29 -12.728 0.338 6.260 1.00 0.00 C ATOM 424 CD2 LEU A 29 -11.682 -1.133 7.984 1.00 0.00 C ATOM 0 H LEU A 29 -14.063 -2.318 4.327 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.663 -3.743 6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.510 -1.353 6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.998 -2.007 7.788 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.785 -1.534 5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.799 0.905 6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.216 0.348 5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.387 0.791 7.001 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.767 -0.546 7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.314 -0.717 8.769 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.432 -2.165 8.229 1.00 0.00 H new ATOM 436 N GLU A 30 -15.901 -4.118 6.048 1.00 0.00 N ATOM 437 CA GLU A 30 -17.046 -4.915 6.469 1.00 0.00 C ATOM 438 C GLU A 30 -16.899 -6.352 5.986 1.00 0.00 C ATOM 439 O GLU A 30 -17.397 -7.285 6.615 1.00 0.00 O ATOM 440 CB GLU A 30 -18.342 -4.307 5.929 1.00 0.00 C ATOM 441 CG GLU A 30 -19.196 -3.645 6.998 1.00 0.00 C ATOM 442 CD GLU A 30 -20.661 -3.579 6.612 1.00 0.00 C ATOM 443 OE1 GLU A 30 -21.332 -4.631 6.647 1.00 0.00 O ATOM 444 OE2 GLU A 30 -21.137 -2.474 6.278 1.00 0.00 O ATOM 0 H GLU A 30 -16.080 -3.518 5.243 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.086 -4.916 7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -18.097 -3.570 5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -18.925 -5.089 5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -19.094 -4.196 7.933 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -18.826 -2.636 7.181 1.00 0.00 H new ATOM 451 N LYS A 31 -16.202 -6.520 4.868 1.00 0.00 N ATOM 452 CA LYS A 31 -15.976 -7.843 4.300 1.00 0.00 C ATOM 453 C LYS A 31 -14.760 -8.494 4.949 1.00 0.00 C ATOM 454 O LYS A 31 -14.715 -9.710 5.133 1.00 0.00 O ATOM 455 CB LYS A 31 -15.775 -7.744 2.786 1.00 0.00 C ATOM 456 CG LYS A 31 -16.908 -7.028 2.071 1.00 0.00 C ATOM 457 CD LYS A 31 -18.236 -7.731 2.297 1.00 0.00 C ATOM 458 CE LYS A 31 -19.411 -6.807 2.022 1.00 0.00 C ATOM 459 NZ LYS A 31 -20.560 -7.088 2.928 1.00 0.00 N ATOM 0 H LYS A 31 -15.784 -5.756 4.337 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.852 -8.461 4.497 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.840 -7.220 2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -15.673 -8.748 2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -16.973 -6.000 2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.695 -6.982 1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -18.300 -8.605 1.649 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -18.288 -8.091 3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -19.095 -5.771 2.146 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.729 -6.922 0.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -21.342 -6.438 2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.878 -8.069 2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -20.264 -6.954 3.916 1.00 0.00 H new ATOM 473 N TYR A 32 -13.778 -7.670 5.300 1.00 0.00 N ATOM 474 CA TYR A 32 -12.559 -8.153 5.937 1.00 0.00 C ATOM 475 C TYR A 32 -11.895 -7.036 6.736 1.00 0.00 C ATOM 476 O TYR A 32 -11.871 -5.883 6.307 1.00 0.00 O ATOM 477 CB TYR A 32 -11.582 -8.700 4.893 1.00 0.00 C ATOM 478 CG TYR A 32 -12.065 -8.561 3.467 1.00 0.00 C ATOM 479 CD1 TYR A 32 -12.094 -7.321 2.841 1.00 0.00 C ATOM 480 CD2 TYR A 32 -12.489 -9.670 2.746 1.00 0.00 C ATOM 481 CE1 TYR A 32 -12.533 -7.190 1.538 1.00 0.00 C ATOM 482 CE2 TYR A 32 -12.931 -9.548 1.442 1.00 0.00 C ATOM 483 CZ TYR A 32 -12.950 -8.306 0.843 1.00 0.00 C ATOM 484 OH TYR A 32 -13.387 -8.180 -0.456 1.00 0.00 O ATOM 0 H TYR A 32 -13.804 -6.661 5.153 1.00 0.00 H new ATOM 0 HA TYR A 32 -12.830 -8.960 6.617 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -10.629 -8.181 4.995 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -11.395 -9.753 5.102 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -11.768 -6.445 3.382 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -12.473 -10.644 3.212 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.550 -6.219 1.066 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -13.259 -10.420 0.896 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.644 -9.060 -0.802 1.00 0.00 H new ATOM 494 N ASN A 33 -11.362 -7.385 7.902 1.00 0.00 N ATOM 495 CA ASN A 33 -10.702 -6.410 8.764 1.00 0.00 C ATOM 496 C ASN A 33 -9.188 -6.562 8.705 1.00 0.00 C ATOM 497 O ASN A 33 -8.485 -6.275 9.674 1.00 0.00 O ATOM 498 CB ASN A 33 -11.187 -6.567 10.206 1.00 0.00 C ATOM 499 CG ASN A 33 -11.735 -7.954 10.481 1.00 0.00 C ATOM 500 OD1 ASN A 33 -12.780 -8.336 9.955 1.00 0.00 O ATOM 501 ND2 ASN A 33 -11.031 -8.716 11.310 1.00 0.00 N ATOM 0 H ASN A 33 -11.374 -8.335 8.272 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.959 -5.413 8.405 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.362 -6.363 10.889 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.960 -5.826 10.410 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.351 -9.658 11.533 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.170 -8.359 11.724 1.00 0.00 H new ATOM 508 N ILE A 34 -8.689 -7.014 7.561 1.00 0.00 N ATOM 509 CA ILE A 34 -7.257 -7.203 7.373 1.00 0.00 C ATOM 510 C ILE A 34 -6.670 -6.103 6.500 1.00 0.00 C ATOM 511 O ILE A 34 -6.939 -6.045 5.302 1.00 0.00 O ATOM 512 CB ILE A 34 -6.949 -8.568 6.730 1.00 0.00 C ATOM 513 CG1 ILE A 34 -7.571 -9.696 7.549 1.00 0.00 C ATOM 514 CG2 ILE A 34 -5.446 -8.766 6.603 1.00 0.00 C ATOM 515 CD1 ILE A 34 -7.166 -9.669 9.002 1.00 0.00 C ATOM 0 H ILE A 34 -9.256 -7.257 6.749 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.801 -7.164 8.362 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.385 -8.588 5.731 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.657 -9.630 7.480 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.281 -10.653 7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.244 -9.735 6.147 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.026 -7.977 5.979 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.989 -8.728 7.592 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.642 -10.497 9.528 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.083 -9.765 9.080 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.480 -8.726 9.450 1.00 0.00 H new ATOM 527 N GLU A 35 -5.868 -5.233 7.111 1.00 0.00 N ATOM 528 CA GLU A 35 -5.240 -4.130 6.391 1.00 0.00 C ATOM 529 C GLU A 35 -5.045 -4.478 4.919 1.00 0.00 C ATOM 530 O GLU A 35 -5.887 -4.161 4.079 1.00 0.00 O ATOM 531 CB GLU A 35 -3.894 -3.781 7.028 1.00 0.00 C ATOM 532 CG GLU A 35 -4.015 -2.867 8.236 1.00 0.00 C ATOM 533 CD GLU A 35 -3.966 -3.625 9.548 1.00 0.00 C ATOM 534 OE1 GLU A 35 -3.386 -4.731 9.572 1.00 0.00 O ATOM 535 OE2 GLU A 35 -4.506 -3.113 10.551 1.00 0.00 O ATOM 0 H GLU A 35 -5.638 -5.272 8.104 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.901 -3.265 6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.393 -4.702 7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.261 -3.302 6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.209 -2.134 8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.952 -2.313 8.175 1.00 0.00 H new ATOM 542 N LYS A 36 -3.934 -5.138 4.613 1.00 0.00 N ATOM 543 CA LYS A 36 -3.638 -5.531 3.242 1.00 0.00 C ATOM 544 C LYS A 36 -4.902 -5.997 2.524 1.00 0.00 C ATOM 545 O LYS A 36 -5.061 -5.778 1.323 1.00 0.00 O ATOM 546 CB LYS A 36 -2.586 -6.642 3.223 1.00 0.00 C ATOM 547 CG LYS A 36 -2.597 -7.512 4.468 1.00 0.00 C ATOM 548 CD LYS A 36 -2.054 -8.901 4.179 1.00 0.00 C ATOM 549 CE LYS A 36 -2.286 -9.847 5.346 1.00 0.00 C ATOM 550 NZ LYS A 36 -1.392 -11.035 5.280 1.00 0.00 N ATOM 0 H LYS A 36 -3.226 -5.411 5.294 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.245 -4.660 2.718 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.751 -7.272 2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.599 -6.194 3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.999 -7.041 5.248 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.615 -7.590 4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.533 -9.301 3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.987 -8.838 3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.117 -9.317 6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.326 -10.174 5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.580 -11.656 6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.571 -11.555 4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.400 -10.725 5.304 1.00 0.00 H new ATOM 564 N ASP A 37 -5.797 -6.639 3.270 1.00 0.00 N ATOM 565 CA ASP A 37 -7.048 -7.136 2.706 1.00 0.00 C ATOM 566 C ASP A 37 -7.947 -5.984 2.265 1.00 0.00 C ATOM 567 O ASP A 37 -8.437 -5.963 1.135 1.00 0.00 O ATOM 568 CB ASP A 37 -7.782 -8.006 3.730 1.00 0.00 C ATOM 569 CG ASP A 37 -8.924 -8.787 3.111 1.00 0.00 C ATOM 570 OD1 ASP A 37 -9.318 -8.460 1.971 1.00 0.00 O ATOM 571 OD2 ASP A 37 -9.424 -9.725 3.766 1.00 0.00 O ATOM 0 H ASP A 37 -5.679 -6.827 4.266 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.807 -7.738 1.830 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.076 -8.700 4.186 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.169 -7.374 4.529 1.00 0.00 H new ATOM 576 N ILE A 38 -8.159 -5.028 3.163 1.00 0.00 N ATOM 577 CA ILE A 38 -8.997 -3.873 2.869 1.00 0.00 C ATOM 578 C ILE A 38 -8.458 -3.101 1.670 1.00 0.00 C ATOM 579 O ILE A 38 -9.216 -2.696 0.789 1.00 0.00 O ATOM 580 CB ILE A 38 -9.089 -2.930 4.083 1.00 0.00 C ATOM 581 CG1 ILE A 38 -9.403 -3.730 5.349 1.00 0.00 C ATOM 582 CG2 ILE A 38 -10.146 -1.861 3.849 1.00 0.00 C ATOM 583 CD1 ILE A 38 -8.757 -3.166 6.594 1.00 0.00 C ATOM 0 H ILE A 38 -7.761 -5.031 4.102 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.994 -4.247 2.635 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.127 -2.435 4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.483 -3.760 5.492 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.071 -4.759 5.211 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.197 -1.204 4.717 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.884 -1.277 2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -11.115 -2.335 3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -9.022 -3.783 7.453 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.674 -3.161 6.472 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.108 -2.147 6.757 1.00 0.00 H new ATOM 595 N ALA A 39 -7.144 -2.908 1.641 1.00 0.00 N ATOM 596 CA ALA A 39 -6.502 -2.191 0.546 1.00 0.00 C ATOM 597 C ALA A 39 -6.752 -2.898 -0.781 1.00 0.00 C ATOM 598 O ALA A 39 -6.987 -2.254 -1.804 1.00 0.00 O ATOM 599 CB ALA A 39 -5.009 -2.059 0.805 1.00 0.00 C ATOM 0 H ALA A 39 -6.503 -3.238 2.363 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.935 -1.193 0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.543 -1.522 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.848 -1.510 1.733 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.565 -3.051 0.889 1.00 0.00 H new ATOM 605 N ALA A 40 -6.707 -4.227 -0.755 1.00 0.00 N ATOM 606 CA ALA A 40 -6.937 -5.022 -1.954 1.00 0.00 C ATOM 607 C ALA A 40 -8.372 -4.858 -2.439 1.00 0.00 C ATOM 608 O ALA A 40 -8.616 -4.348 -3.532 1.00 0.00 O ATOM 609 CB ALA A 40 -6.632 -6.489 -1.685 1.00 0.00 C ATOM 0 H ALA A 40 -6.513 -4.774 0.084 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.267 -4.666 -2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.809 -7.069 -2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.590 -6.595 -1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.279 -6.855 -0.888 1.00 0.00 H new ATOM 615 N HIS A 41 -9.316 -5.287 -1.611 1.00 0.00 N ATOM 616 CA HIS A 41 -10.731 -5.183 -1.942 1.00 0.00 C ATOM 617 C HIS A 41 -11.035 -3.824 -2.564 1.00 0.00 C ATOM 618 O HIS A 41 -11.458 -3.735 -3.715 1.00 0.00 O ATOM 619 CB HIS A 41 -11.579 -5.403 -0.682 1.00 0.00 C ATOM 620 CG HIS A 41 -12.956 -4.809 -0.747 1.00 0.00 C ATOM 621 ND1 HIS A 41 -14.101 -5.538 -0.504 1.00 0.00 N ATOM 622 CD2 HIS A 41 -13.369 -3.547 -1.016 1.00 0.00 C ATOM 623 CE1 HIS A 41 -15.156 -4.752 -0.625 1.00 0.00 C ATOM 624 NE2 HIS A 41 -14.739 -3.539 -0.934 1.00 0.00 N ATOM 0 H HIS A 41 -9.126 -5.711 -0.703 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.981 -5.953 -2.672 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.667 -6.474 -0.501 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.054 -4.978 0.173 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -14.129 -6.530 -0.268 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.737 -2.703 -1.251 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -16.185 -5.052 -0.493 1.00 0.00 H new ATOM 633 N ILE A 42 -10.817 -2.766 -1.788 1.00 0.00 N ATOM 634 CA ILE A 42 -11.067 -1.409 -2.257 1.00 0.00 C ATOM 635 C ILE A 42 -10.510 -1.195 -3.660 1.00 0.00 C ATOM 636 O ILE A 42 -11.261 -0.986 -4.612 1.00 0.00 O ATOM 637 CB ILE A 42 -10.446 -0.364 -1.310 1.00 0.00 C ATOM 638 CG1 ILE A 42 -10.963 -0.559 0.116 1.00 0.00 C ATOM 639 CG2 ILE A 42 -10.748 1.043 -1.801 1.00 0.00 C ATOM 640 CD1 ILE A 42 -9.980 -0.121 1.181 1.00 0.00 C ATOM 0 H ILE A 42 -10.468 -2.824 -0.831 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.149 -1.279 -2.276 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.365 -0.502 -1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.891 0.000 0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.204 -1.612 0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -10.302 1.769 -1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.331 1.177 -2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.827 1.193 -1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.413 -0.288 2.167 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -9.060 -0.698 1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.758 0.939 1.057 1.00 0.00 H new ATOM 652 N LYS A 43 -9.187 -1.246 -3.779 1.00 0.00 N ATOM 653 CA LYS A 43 -8.527 -1.054 -5.064 1.00 0.00 C ATOM 654 C LYS A 43 -9.270 -1.791 -6.174 1.00 0.00 C ATOM 655 O LYS A 43 -9.832 -1.169 -7.076 1.00 0.00 O ATOM 656 CB LYS A 43 -7.077 -1.536 -4.996 1.00 0.00 C ATOM 657 CG LYS A 43 -6.252 -1.145 -6.211 1.00 0.00 C ATOM 658 CD LYS A 43 -6.562 -2.034 -7.404 1.00 0.00 C ATOM 659 CE LYS A 43 -5.401 -2.960 -7.725 1.00 0.00 C ATOM 660 NZ LYS A 43 -5.867 -4.303 -8.168 1.00 0.00 N ATOM 0 H LYS A 43 -8.551 -1.419 -3.000 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.536 0.012 -5.292 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.608 -1.127 -4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.067 -2.621 -4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.452 -0.105 -6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.191 -1.215 -5.970 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.454 -2.625 -7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.785 -1.414 -8.272 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.786 -2.513 -8.506 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.768 -3.068 -6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.238 -4.660 -8.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.853 -4.959 -7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.836 -4.230 -8.537 1.00 0.00 H new ATOM 674 N LYS A 44 -9.269 -3.118 -6.101 1.00 0.00 N ATOM 675 CA LYS A 44 -9.946 -3.937 -7.100 1.00 0.00 C ATOM 676 C LYS A 44 -11.236 -3.270 -7.562 1.00 0.00 C ATOM 677 O LYS A 44 -11.451 -3.064 -8.756 1.00 0.00 O ATOM 678 CB LYS A 44 -10.249 -5.326 -6.535 1.00 0.00 C ATOM 679 CG LYS A 44 -11.144 -6.162 -7.435 1.00 0.00 C ATOM 680 CD LYS A 44 -10.461 -6.480 -8.755 1.00 0.00 C ATOM 681 CE LYS A 44 -10.915 -7.821 -9.309 1.00 0.00 C ATOM 682 NZ LYS A 44 -11.740 -7.663 -10.539 1.00 0.00 N ATOM 0 H LYS A 44 -8.808 -3.648 -5.362 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.283 -4.041 -7.959 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.311 -5.857 -6.374 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.726 -5.218 -5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.408 -7.090 -6.927 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.074 -5.626 -7.625 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.680 -5.694 -9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.380 -6.491 -8.613 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.043 -8.435 -9.533 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.492 -8.351 -8.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.030 -8.600 -10.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.585 -7.098 -10.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.182 -7.180 -11.272 1.00 0.00 H new ATOM 696 N GLU A 45 -12.089 -2.934 -6.604 1.00 0.00 N ATOM 697 CA GLU A 45 -13.359 -2.288 -6.903 1.00 0.00 C ATOM 698 C GLU A 45 -13.136 -0.985 -7.662 1.00 0.00 C ATOM 699 O GLU A 45 -13.467 -0.877 -8.843 1.00 0.00 O ATOM 700 CB GLU A 45 -14.129 -2.012 -5.610 1.00 0.00 C ATOM 701 CG GLU A 45 -15.366 -2.881 -5.440 1.00 0.00 C ATOM 702 CD GLU A 45 -16.115 -3.089 -6.741 1.00 0.00 C ATOM 703 OE1 GLU A 45 -15.600 -3.820 -7.613 1.00 0.00 O ATOM 704 OE2 GLU A 45 -17.219 -2.522 -6.888 1.00 0.00 O ATOM 0 H GLU A 45 -11.924 -3.099 -5.611 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.944 -2.960 -7.531 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.465 -2.170 -4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.426 -0.964 -5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.072 -3.850 -5.035 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.032 -2.420 -4.711 1.00 0.00 H new ATOM 711 N PHE A 46 -12.570 0.003 -6.975 1.00 0.00 N ATOM 712 CA PHE A 46 -12.297 1.300 -7.583 1.00 0.00 C ATOM 713 C PHE A 46 -11.843 1.139 -9.029 1.00 0.00 C ATOM 714 O PHE A 46 -12.405 1.748 -9.939 1.00 0.00 O ATOM 715 CB PHE A 46 -11.230 2.046 -6.781 1.00 0.00 C ATOM 716 CG PHE A 46 -11.781 3.159 -5.938 1.00 0.00 C ATOM 717 CD1 PHE A 46 -12.435 2.885 -4.747 1.00 0.00 C ATOM 718 CD2 PHE A 46 -11.645 4.479 -6.335 1.00 0.00 C ATOM 719 CE1 PHE A 46 -12.942 3.908 -3.968 1.00 0.00 C ATOM 720 CE2 PHE A 46 -12.150 5.506 -5.561 1.00 0.00 C ATOM 721 CZ PHE A 46 -12.800 5.220 -4.376 1.00 0.00 C ATOM 0 H PHE A 46 -12.292 -0.071 -5.996 1.00 0.00 H new ATOM 0 HA PHE A 46 -13.220 1.879 -7.575 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.710 1.337 -6.137 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.490 2.455 -7.469 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.550 1.861 -4.424 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -11.138 4.708 -7.261 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -13.449 3.682 -3.041 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -12.037 6.531 -5.882 1.00 0.00 H new ATOM 0 HZ PHE A 46 -13.196 6.021 -3.770 1.00 0.00 H new ATOM 731 N ASP A 47 -10.821 0.315 -9.234 1.00 0.00 N ATOM 732 CA ASP A 47 -10.293 0.075 -10.571 1.00 0.00 C ATOM 733 C ASP A 47 -11.396 -0.391 -11.515 1.00 0.00 C ATOM 734 O ASP A 47 -11.419 -0.023 -12.689 1.00 0.00 O ATOM 735 CB ASP A 47 -9.174 -0.966 -10.522 1.00 0.00 C ATOM 736 CG ASP A 47 -8.690 -1.361 -11.903 1.00 0.00 C ATOM 737 OD1 ASP A 47 -9.452 -2.034 -12.629 1.00 0.00 O ATOM 738 OD2 ASP A 47 -7.550 -0.999 -12.259 1.00 0.00 O ATOM 0 H ASP A 47 -10.343 -0.197 -8.493 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.889 1.014 -10.949 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.338 -0.569 -9.947 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.529 -1.853 -9.997 1.00 0.00 H new ATOM 743 N LYS A 48 -12.311 -1.201 -10.991 1.00 0.00 N ATOM 744 CA LYS A 48 -13.419 -1.715 -11.785 1.00 0.00 C ATOM 745 C LYS A 48 -14.716 -0.998 -11.432 1.00 0.00 C ATOM 746 O LYS A 48 -15.801 -1.428 -11.823 1.00 0.00 O ATOM 747 CB LYS A 48 -13.579 -3.219 -11.560 1.00 0.00 C ATOM 748 CG LYS A 48 -12.690 -4.068 -12.454 1.00 0.00 C ATOM 749 CD LYS A 48 -13.510 -4.879 -13.446 1.00 0.00 C ATOM 750 CE LYS A 48 -14.353 -3.982 -14.337 1.00 0.00 C ATOM 751 NZ LYS A 48 -14.240 -4.360 -15.772 1.00 0.00 N ATOM 0 H LYS A 48 -12.306 -1.515 -10.020 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.197 -1.533 -12.836 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -13.355 -3.447 -10.518 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.620 -3.494 -11.731 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.995 -3.425 -12.994 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.091 -4.740 -11.840 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.844 -5.483 -14.062 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.158 -5.569 -12.906 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.396 -4.040 -14.027 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.040 -2.946 -14.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.830 -3.724 -16.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.248 -4.280 -16.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.563 -5.340 -15.899 1.00 0.00 H new ATOM 765 N LYS A 49 -14.596 0.095 -10.688 1.00 0.00 N ATOM 766 CA LYS A 49 -15.759 0.870 -10.279 1.00 0.00 C ATOM 767 C LYS A 49 -15.559 2.358 -10.557 1.00 0.00 C ATOM 768 O LYS A 49 -16.336 3.192 -10.091 1.00 0.00 O ATOM 769 CB LYS A 49 -16.047 0.651 -8.793 1.00 0.00 C ATOM 770 CG LYS A 49 -17.227 -0.273 -8.533 1.00 0.00 C ATOM 771 CD LYS A 49 -18.549 0.411 -8.844 1.00 0.00 C ATOM 772 CE LYS A 49 -19.127 1.090 -7.612 1.00 0.00 C ATOM 773 NZ LYS A 49 -20.504 1.604 -7.855 1.00 0.00 N ATOM 0 H LYS A 49 -13.705 0.464 -10.356 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.612 0.526 -10.864 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -15.159 0.236 -8.316 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.240 1.615 -8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.128 -1.171 -9.143 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.218 -0.593 -7.491 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -18.402 1.149 -9.632 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.260 -0.323 -9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.145 0.383 -6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.479 1.914 -7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.862 2.059 -6.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.484 2.298 -8.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -21.129 0.814 -8.114 1.00 0.00 H new ATOM 787 N TYR A 50 -14.519 2.689 -11.316 1.00 0.00 N ATOM 788 CA TYR A 50 -14.235 4.081 -11.645 1.00 0.00 C ATOM 789 C TYR A 50 -13.390 4.195 -12.910 1.00 0.00 C ATOM 790 O TYR A 50 -13.832 4.760 -13.911 1.00 0.00 O ATOM 791 CB TYR A 50 -13.526 4.765 -10.478 1.00 0.00 C ATOM 792 CG TYR A 50 -14.350 4.807 -9.210 1.00 0.00 C ATOM 793 CD1 TYR A 50 -15.467 5.626 -9.112 1.00 0.00 C ATOM 794 CD2 TYR A 50 -14.011 4.025 -8.114 1.00 0.00 C ATOM 795 CE1 TYR A 50 -16.223 5.667 -7.956 1.00 0.00 C ATOM 796 CE2 TYR A 50 -14.761 4.060 -6.954 1.00 0.00 C ATOM 797 CZ TYR A 50 -15.867 4.881 -6.881 1.00 0.00 C ATOM 798 OH TYR A 50 -16.616 4.919 -5.728 1.00 0.00 O ATOM 0 H TYR A 50 -13.863 2.017 -11.713 1.00 0.00 H new ATOM 0 HA TYR A 50 -15.186 4.580 -11.830 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.590 4.244 -10.276 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -13.267 5.784 -10.767 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -15.750 6.241 -9.953 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -13.147 3.379 -8.169 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -17.088 6.311 -7.895 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -14.483 3.448 -6.109 1.00 0.00 H new ATOM 0 HH TYR A 50 -16.231 4.306 -5.068 1.00 0.00 H new ATOM 808 N ASN A 51 -12.173 3.663 -12.861 1.00 0.00 N ATOM 809 CA ASN A 51 -11.271 3.716 -14.003 1.00 0.00 C ATOM 810 C ASN A 51 -9.842 3.398 -13.573 1.00 0.00 C ATOM 811 O ASN A 51 -9.192 4.207 -12.912 1.00 0.00 O ATOM 812 CB ASN A 51 -11.323 5.097 -14.659 1.00 0.00 C ATOM 813 CG ASN A 51 -11.458 5.017 -16.167 1.00 0.00 C ATOM 814 OD1 ASN A 51 -11.874 3.857 -16.663 1.00 0.00 O flip ATOM 815 ND2 ASN A 51 -11.192 5.986 -16.879 1.00 0.00 N flip ATOM 0 H ASN A 51 -11.790 3.191 -12.042 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.593 2.968 -14.727 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -12.164 5.658 -14.251 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.418 5.650 -14.407 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.876 6.858 -16.456 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.288 5.916 -17.892 1.00 0.00 H new ATOM 822 N PRO A 52 -9.333 2.210 -13.941 1.00 0.00 N ATOM 823 CA PRO A 52 -7.975 1.795 -13.585 1.00 0.00 C ATOM 824 C PRO A 52 -6.938 2.889 -13.861 1.00 0.00 C ATOM 825 O PRO A 52 -7.138 3.717 -14.750 1.00 0.00 O ATOM 826 CB PRO A 52 -7.737 0.589 -14.489 1.00 0.00 C ATOM 827 CG PRO A 52 -9.091 0.009 -14.697 1.00 0.00 C ATOM 828 CD PRO A 52 -10.037 1.178 -14.732 1.00 0.00 C ATOM 0 HA PRO A 52 -7.876 1.578 -12.521 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.282 0.885 -15.434 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.064 -0.130 -14.023 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.135 -0.558 -15.627 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.349 -0.679 -13.892 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.225 1.512 -15.752 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.003 0.926 -14.295 1.00 0.00 H new ATOM 836 N THR A 53 -5.827 2.900 -13.106 1.00 0.00 N ATOM 837 CA THR A 53 -5.572 1.924 -12.046 1.00 0.00 C ATOM 838 C THR A 53 -5.469 2.618 -10.693 1.00 0.00 C ATOM 839 O THR A 53 -4.793 3.637 -10.559 1.00 0.00 O ATOM 840 CB THR A 53 -4.287 1.148 -12.334 1.00 0.00 C ATOM 841 OG1 THR A 53 -4.366 0.499 -13.590 1.00 0.00 O ATOM 842 CG2 THR A 53 -3.976 0.098 -11.290 1.00 0.00 C ATOM 0 H THR A 53 -5.083 3.589 -13.217 1.00 0.00 H new ATOM 0 HA THR A 53 -6.407 1.224 -12.017 1.00 0.00 H new ATOM 0 HB THR A 53 -3.490 1.892 -12.324 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.534 0.009 -13.758 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.052 -0.416 -11.555 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.860 0.575 -10.317 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.792 -0.623 -11.245 1.00 0.00 H new ATOM 850 N TRP A 54 -6.151 2.067 -9.695 1.00 0.00 N ATOM 851 CA TRP A 54 -6.140 2.644 -8.357 1.00 0.00 C ATOM 852 C TRP A 54 -5.130 1.949 -7.449 1.00 0.00 C ATOM 853 O TRP A 54 -4.938 0.735 -7.521 1.00 0.00 O ATOM 854 CB TRP A 54 -7.534 2.561 -7.734 1.00 0.00 C ATOM 855 CG TRP A 54 -8.590 3.262 -8.533 1.00 0.00 C ATOM 856 CD1 TRP A 54 -9.178 2.817 -9.682 1.00 0.00 C ATOM 857 CD2 TRP A 54 -9.184 4.532 -8.241 1.00 0.00 C ATOM 858 NE1 TRP A 54 -10.106 3.731 -10.120 1.00 0.00 N ATOM 859 CE2 TRP A 54 -10.128 4.793 -9.253 1.00 0.00 C ATOM 860 CE3 TRP A 54 -9.011 5.473 -7.222 1.00 0.00 C ATOM 861 CZ2 TRP A 54 -10.895 5.955 -9.274 1.00 0.00 C ATOM 862 CZ3 TRP A 54 -9.772 6.627 -7.244 1.00 0.00 C ATOM 863 CH2 TRP A 54 -10.705 6.859 -8.263 1.00 0.00 C ATOM 0 H TRP A 54 -6.717 1.223 -9.787 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.843 3.688 -8.454 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -7.811 1.513 -7.622 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.502 2.991 -6.733 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.948 1.884 -10.174 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -10.685 3.635 -10.955 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.295 5.302 -6.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.614 6.137 -10.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.645 7.362 -6.463 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.286 7.769 -8.251 1.00 0.00 H new ATOM 874 N HIS A 55 -4.502 2.736 -6.582 1.00 0.00 N ATOM 875 CA HIS A 55 -3.521 2.225 -5.630 1.00 0.00 C ATOM 876 C HIS A 55 -3.834 2.771 -4.244 1.00 0.00 C ATOM 877 O HIS A 55 -3.737 3.976 -4.011 1.00 0.00 O ATOM 878 CB HIS A 55 -2.108 2.629 -6.049 1.00 0.00 C ATOM 879 CG HIS A 55 -1.965 2.863 -7.519 1.00 0.00 C ATOM 880 ND1 HIS A 55 -2.324 2.096 -8.577 1.00 0.00 N flip ATOM 881 CD2 HIS A 55 -1.397 4.002 -8.051 1.00 0.00 C flip ATOM 882 CE1 HIS A 55 -1.971 2.779 -9.713 1.00 0.00 C flip ATOM 883 NE2 HIS A 55 -1.416 3.926 -9.370 1.00 0.00 N flip ATOM 0 H HIS A 55 -4.657 3.742 -6.519 1.00 0.00 H new ATOM 0 HA HIS A 55 -3.573 1.136 -5.612 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.825 3.536 -5.516 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -1.410 1.849 -5.744 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -2.773 1.181 -8.536 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.999 4.827 -7.479 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.123 2.434 -10.725 1.00 0.00 H new ATOM 892 N CYS A 56 -4.238 1.894 -3.331 1.00 0.00 N ATOM 893 CA CYS A 56 -4.595 2.330 -1.985 1.00 0.00 C ATOM 894 C CYS A 56 -3.812 1.594 -0.904 1.00 0.00 C ATOM 895 O CYS A 56 -3.373 0.460 -1.091 1.00 0.00 O ATOM 896 CB CYS A 56 -6.092 2.132 -1.755 1.00 0.00 C ATOM 897 SG CYS A 56 -6.549 0.447 -1.284 1.00 0.00 S ATOM 0 H CYS A 56 -4.326 0.891 -3.494 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.338 3.387 -1.912 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.423 2.818 -0.976 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.628 2.401 -2.665 1.00 0.00 H new ATOM 0 HG CYS A 56 -6.155 -0.383 -2.204 1.00 0.00 H new ATOM 903 N ILE A 57 -3.670 2.256 0.242 1.00 0.00 N ATOM 904 CA ILE A 57 -2.970 1.687 1.388 1.00 0.00 C ATOM 905 C ILE A 57 -3.809 1.847 2.651 1.00 0.00 C ATOM 906 O ILE A 57 -4.036 2.964 3.116 1.00 0.00 O ATOM 907 CB ILE A 57 -1.595 2.351 1.619 1.00 0.00 C ATOM 908 CG1 ILE A 57 -0.745 2.331 0.339 1.00 0.00 C ATOM 909 CG2 ILE A 57 -0.864 1.663 2.764 1.00 0.00 C ATOM 910 CD1 ILE A 57 -0.781 1.020 -0.415 1.00 0.00 C ATOM 0 H ILE A 57 -4.035 3.195 0.401 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.810 0.631 1.169 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.762 3.394 1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.088 3.126 -0.323 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.289 2.558 0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.104 2.140 2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.457 1.744 3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.715 0.611 2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.154 1.094 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.408 0.221 0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.806 0.799 -0.711 1.00 0.00 H new ATOM 922 N VAL A 58 -4.271 0.732 3.198 1.00 0.00 N ATOM 923 CA VAL A 58 -5.088 0.762 4.404 1.00 0.00 C ATOM 924 C VAL A 58 -4.290 0.315 5.620 1.00 0.00 C ATOM 925 O VAL A 58 -3.654 -0.739 5.609 1.00 0.00 O ATOM 926 CB VAL A 58 -6.336 -0.127 4.267 1.00 0.00 C ATOM 927 CG1 VAL A 58 -5.940 -1.538 3.879 1.00 0.00 C ATOM 928 CG2 VAL A 58 -7.136 -0.124 5.561 1.00 0.00 C ATOM 0 H VAL A 58 -4.095 -0.202 2.828 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.405 1.796 4.540 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.968 0.279 3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.834 -2.154 3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.412 -1.519 2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.289 -1.957 4.646 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.015 -0.758 5.447 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.517 -0.506 6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.450 0.894 5.792 1.00 0.00 H new ATOM 938 N GLY A 59 -4.332 1.125 6.671 1.00 0.00 N ATOM 939 CA GLY A 59 -3.616 0.806 7.886 1.00 0.00 C ATOM 940 C GLY A 59 -4.196 1.525 9.085 1.00 0.00 C ATOM 941 O GLY A 59 -5.042 2.407 8.936 1.00 0.00 O ATOM 0 H GLY A 59 -4.853 2.001 6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.650 -0.270 8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.567 1.078 7.772 1.00 0.00 H new ATOM 945 N ARG A 60 -3.747 1.151 10.274 1.00 0.00 N ATOM 946 CA ARG A 60 -4.238 1.771 11.497 1.00 0.00 C ATOM 947 C ARG A 60 -3.084 2.149 12.415 1.00 0.00 C ATOM 948 O ARG A 60 -3.200 2.081 13.640 1.00 0.00 O ATOM 949 CB ARG A 60 -5.199 0.829 12.217 1.00 0.00 C ATOM 950 CG ARG A 60 -4.818 -0.638 12.097 1.00 0.00 C ATOM 951 CD ARG A 60 -5.959 -1.547 12.523 1.00 0.00 C ATOM 952 NE ARG A 60 -5.594 -2.386 13.661 1.00 0.00 N ATOM 953 CZ ARG A 60 -5.654 -3.714 13.645 1.00 0.00 C ATOM 954 NH1 ARG A 60 -6.075 -4.349 12.561 1.00 0.00 N ATOM 955 NH2 ARG A 60 -5.295 -4.409 14.716 1.00 0.00 N ATOM 0 H ARG A 60 -3.046 0.424 10.419 1.00 0.00 H new ATOM 0 HA ARG A 60 -4.772 2.682 11.227 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -5.238 1.100 13.272 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.202 0.969 11.814 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.540 -0.860 11.067 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.942 -0.839 12.714 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.827 -0.941 12.783 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.251 -2.180 11.685 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.276 -1.928 14.515 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.354 -3.819 11.736 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.120 -5.368 12.552 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.972 -3.925 15.554 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.342 -5.428 14.702 1.00 0.00 H new ATOM 969 N ASN A 61 -1.972 2.552 11.814 1.00 0.00 N ATOM 970 CA ASN A 61 -0.792 2.947 12.569 1.00 0.00 C ATOM 971 C ASN A 61 0.407 3.116 11.644 1.00 0.00 C ATOM 972 O ASN A 61 1.554 2.951 12.059 1.00 0.00 O ATOM 973 CB ASN A 61 -0.479 1.913 13.652 1.00 0.00 C ATOM 974 CG ASN A 61 -0.164 2.553 14.989 1.00 0.00 C ATOM 975 OD1 ASN A 61 0.655 3.467 15.074 1.00 0.00 O ATOM 976 ND2 ASN A 61 -0.818 2.077 16.043 1.00 0.00 N ATOM 0 H ASN A 61 -1.863 2.614 10.802 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.999 3.904 13.047 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.330 1.241 13.766 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.368 1.304 13.335 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.649 2.471 16.969 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.489 1.318 15.927 1.00 0.00 H new ATOM 983 N PHE A 62 0.131 3.445 10.387 1.00 0.00 N ATOM 984 CA PHE A 62 1.182 3.636 9.400 1.00 0.00 C ATOM 985 C PHE A 62 1.221 5.080 8.915 1.00 0.00 C ATOM 986 O PHE A 62 0.559 5.955 9.474 1.00 0.00 O ATOM 987 CB PHE A 62 0.960 2.702 8.212 1.00 0.00 C ATOM 988 CG PHE A 62 -0.126 3.169 7.289 1.00 0.00 C ATOM 989 CD1 PHE A 62 -1.458 2.938 7.591 1.00 0.00 C ATOM 990 CD2 PHE A 62 0.185 3.842 6.120 1.00 0.00 C ATOM 991 CE1 PHE A 62 -2.459 3.370 6.743 1.00 0.00 C ATOM 992 CE2 PHE A 62 -0.811 4.276 5.267 1.00 0.00 C ATOM 993 CZ PHE A 62 -2.136 4.039 5.578 1.00 0.00 C ATOM 0 H PHE A 62 -0.814 3.585 10.029 1.00 0.00 H new ATOM 0 HA PHE A 62 2.136 3.404 9.873 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.890 2.610 7.651 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.711 1.707 8.582 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.717 2.414 8.499 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.219 4.030 5.872 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.494 3.185 6.990 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.554 4.800 4.358 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.917 4.376 4.912 1.00 0.00 H new ATOM 1003 N GLY A 63 1.999 5.319 7.865 1.00 0.00 N ATOM 1004 CA GLY A 63 2.115 6.653 7.308 1.00 0.00 C ATOM 1005 C GLY A 63 2.330 6.623 5.808 1.00 0.00 C ATOM 1006 O GLY A 63 3.458 6.469 5.339 1.00 0.00 O ATOM 0 H GLY A 63 2.554 4.608 7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.212 7.220 7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.946 7.174 7.783 1.00 0.00 H new ATOM 1010 N SER A 64 1.245 6.759 5.056 1.00 0.00 N ATOM 1011 CA SER A 64 1.317 6.733 3.600 1.00 0.00 C ATOM 1012 C SER A 64 1.750 8.084 3.036 1.00 0.00 C ATOM 1013 O SER A 64 1.331 9.136 3.519 1.00 0.00 O ATOM 1014 CB SER A 64 -0.035 6.330 3.009 1.00 0.00 C ATOM 1015 OG SER A 64 -1.086 7.103 3.560 1.00 0.00 O ATOM 0 H SER A 64 0.305 6.888 5.430 1.00 0.00 H new ATOM 0 HA SER A 64 2.068 5.994 3.319 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.014 6.458 1.927 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.218 5.273 3.201 1.00 0.00 H new ATOM 0 HG SER A 64 -1.777 6.508 3.918 1.00 0.00 H new ATOM 1021 N TYR A 65 2.588 8.037 2.006 1.00 0.00 N ATOM 1022 CA TYR A 65 3.086 9.243 1.355 1.00 0.00 C ATOM 1023 C TYR A 65 3.348 8.976 -0.123 1.00 0.00 C ATOM 1024 O TYR A 65 4.424 8.509 -0.498 1.00 0.00 O ATOM 1025 CB TYR A 65 4.369 9.723 2.035 1.00 0.00 C ATOM 1026 CG TYR A 65 4.924 11.003 1.449 1.00 0.00 C ATOM 1027 CD1 TYR A 65 4.493 12.242 1.906 1.00 0.00 C ATOM 1028 CD2 TYR A 65 5.880 10.971 0.440 1.00 0.00 C ATOM 1029 CE1 TYR A 65 5.000 13.413 1.374 1.00 0.00 C ATOM 1030 CE2 TYR A 65 6.391 12.139 -0.095 1.00 0.00 C ATOM 1031 CZ TYR A 65 5.947 13.356 0.376 1.00 0.00 C ATOM 1032 OH TYR A 65 6.455 14.520 -0.154 1.00 0.00 O ATOM 0 H TYR A 65 2.939 7.169 1.601 1.00 0.00 H new ATOM 0 HA TYR A 65 2.329 10.022 1.444 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.173 9.875 3.096 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.125 8.941 1.959 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.751 12.291 2.689 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.229 10.019 0.068 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.655 14.369 1.740 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.134 12.098 -0.878 1.00 0.00 H new ATOM 0 HH TYR A 65 7.113 14.304 -0.847 1.00 0.00 H new ATOM 1042 N VAL A 66 2.354 9.259 -0.956 1.00 0.00 N ATOM 1043 CA VAL A 66 2.479 9.029 -2.390 1.00 0.00 C ATOM 1044 C VAL A 66 2.002 10.232 -3.198 1.00 0.00 C ATOM 1045 O VAL A 66 1.104 10.962 -2.778 1.00 0.00 O ATOM 1046 CB VAL A 66 1.678 7.784 -2.820 1.00 0.00 C ATOM 1047 CG1 VAL A 66 1.965 6.618 -1.886 1.00 0.00 C ATOM 1048 CG2 VAL A 66 0.188 8.090 -2.855 1.00 0.00 C ATOM 0 H VAL A 66 1.456 9.646 -0.665 1.00 0.00 H new ATOM 0 HA VAL A 66 3.538 8.869 -2.592 1.00 0.00 H new ATOM 0 HB VAL A 66 1.991 7.504 -3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.391 5.747 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.029 6.382 -1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.681 6.888 -0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.359 7.198 -3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.144 8.397 -1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.002 8.894 -3.566 1.00 0.00 H new ATOM 1058 N THR A 67 2.608 10.423 -4.366 1.00 0.00 N ATOM 1059 CA THR A 67 2.244 11.529 -5.247 1.00 0.00 C ATOM 1060 C THR A 67 0.976 11.199 -6.031 1.00 0.00 C ATOM 1061 O THR A 67 0.729 10.042 -6.367 1.00 0.00 O ATOM 1062 CB THR A 67 3.392 11.841 -6.210 1.00 0.00 C ATOM 1063 OG1 THR A 67 3.317 13.182 -6.661 1.00 0.00 O ATOM 1064 CG2 THR A 67 3.410 10.946 -7.429 1.00 0.00 C ATOM 0 H THR A 67 3.353 9.826 -4.725 1.00 0.00 H new ATOM 0 HA THR A 67 2.051 12.408 -4.631 1.00 0.00 H new ATOM 0 HB THR A 67 4.304 11.667 -5.639 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.139 13.412 -7.143 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.248 11.221 -8.070 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.517 9.907 -7.116 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.478 11.064 -7.981 1.00 0.00 H new ATOM 1072 N HIS A 68 0.174 12.220 -6.318 1.00 0.00 N ATOM 1073 CA HIS A 68 -1.067 12.027 -7.059 1.00 0.00 C ATOM 1074 C HIS A 68 -0.902 12.419 -8.524 1.00 0.00 C ATOM 1075 O HIS A 68 -0.042 13.231 -8.866 1.00 0.00 O ATOM 1076 CB HIS A 68 -2.198 12.839 -6.429 1.00 0.00 C ATOM 1077 CG HIS A 68 -1.864 14.286 -6.229 1.00 0.00 C ATOM 1078 ND1 HIS A 68 -0.727 14.876 -6.742 1.00 0.00 N ATOM 1079 CD2 HIS A 68 -2.529 15.265 -5.569 1.00 0.00 C ATOM 1080 CE1 HIS A 68 -0.708 16.155 -6.405 1.00 0.00 C ATOM 1081 NE2 HIS A 68 -1.789 16.414 -5.693 1.00 0.00 N ATOM 0 H HIS A 68 0.361 13.186 -6.050 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.319 10.968 -7.013 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.083 12.764 -7.061 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.456 12.399 -5.466 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -0.013 14.401 -7.294 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.467 15.160 -5.043 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.061 16.866 -6.668 1.00 0.00 H new ATOM 1090 N GLU A 69 -1.732 11.837 -9.384 1.00 0.00 N ATOM 1091 CA GLU A 69 -1.679 12.128 -10.813 1.00 0.00 C ATOM 1092 C GLU A 69 -3.063 12.476 -11.353 1.00 0.00 C ATOM 1093 O GLU A 69 -3.409 13.650 -11.491 1.00 0.00 O ATOM 1094 CB GLU A 69 -1.104 10.934 -11.581 1.00 0.00 C ATOM 1095 CG GLU A 69 -0.305 9.975 -10.713 1.00 0.00 C ATOM 1096 CD GLU A 69 1.186 10.248 -10.766 1.00 0.00 C ATOM 1097 OE1 GLU A 69 1.567 11.394 -11.086 1.00 0.00 O ATOM 1098 OE2 GLU A 69 1.971 9.318 -10.489 1.00 0.00 O ATOM 0 H GLU A 69 -2.449 11.162 -9.117 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.027 12.990 -10.955 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.922 10.388 -12.052 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.464 11.303 -12.383 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.649 10.052 -9.681 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.495 8.952 -11.037 1.00 0.00 H new ATOM 1105 N THR A 70 -3.850 11.451 -11.658 1.00 0.00 N ATOM 1106 CA THR A 70 -5.196 11.649 -12.186 1.00 0.00 C ATOM 1107 C THR A 70 -6.101 12.302 -11.143 1.00 0.00 C ATOM 1108 O THR A 70 -5.968 13.491 -10.851 1.00 0.00 O ATOM 1109 CB THR A 70 -5.789 10.312 -12.632 1.00 0.00 C ATOM 1110 OG1 THR A 70 -4.920 9.657 -13.539 1.00 0.00 O ATOM 1111 CG2 THR A 70 -7.137 10.447 -13.305 1.00 0.00 C ATOM 0 H THR A 70 -3.580 10.474 -11.549 1.00 0.00 H new ATOM 0 HA THR A 70 -5.130 12.315 -13.046 1.00 0.00 H new ATOM 0 HB THR A 70 -5.916 9.734 -11.717 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.315 8.803 -13.812 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.499 9.461 -13.596 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.845 10.904 -12.613 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.040 11.074 -14.192 1.00 0.00 H new ATOM 1119 N LYS A 71 -7.022 11.520 -10.588 1.00 0.00 N ATOM 1120 CA LYS A 71 -7.947 12.025 -9.578 1.00 0.00 C ATOM 1121 C LYS A 71 -7.218 12.319 -8.271 1.00 0.00 C ATOM 1122 O LYS A 71 -7.791 12.197 -7.189 1.00 0.00 O ATOM 1123 CB LYS A 71 -9.069 11.014 -9.330 1.00 0.00 C ATOM 1124 CG LYS A 71 -10.460 11.623 -9.384 1.00 0.00 C ATOM 1125 CD LYS A 71 -10.698 12.348 -10.697 1.00 0.00 C ATOM 1126 CE LYS A 71 -11.190 13.767 -10.467 1.00 0.00 C ATOM 1127 NZ LYS A 71 -11.768 14.360 -11.705 1.00 0.00 N ATOM 0 H LYS A 71 -7.148 10.535 -10.820 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.379 12.954 -9.951 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.001 10.219 -10.072 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.921 10.552 -8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.207 10.839 -9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.586 12.319 -8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.774 12.371 -11.274 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.430 11.799 -11.290 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.942 13.767 -9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.363 14.386 -10.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.092 15.328 -11.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.043 14.383 -12.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.573 13.783 -12.023 1.00 0.00 H new ATOM 1141 N HIS A 72 -5.951 12.704 -8.379 1.00 0.00 N ATOM 1142 CA HIS A 72 -5.146 13.010 -7.204 1.00 0.00 C ATOM 1143 C HIS A 72 -5.111 11.820 -6.252 1.00 0.00 C ATOM 1144 O HIS A 72 -4.255 10.942 -6.370 1.00 0.00 O ATOM 1145 CB HIS A 72 -5.696 14.241 -6.482 1.00 0.00 C ATOM 1146 CG HIS A 72 -5.814 15.449 -7.359 1.00 0.00 C ATOM 1147 ND1 HIS A 72 -6.294 15.399 -8.652 1.00 0.00 N ATOM 1148 CD2 HIS A 72 -5.513 16.748 -7.122 1.00 0.00 C ATOM 1149 CE1 HIS A 72 -6.282 16.613 -9.171 1.00 0.00 C ATOM 1150 NE2 HIS A 72 -5.814 17.449 -8.264 1.00 0.00 N ATOM 0 H HIS A 72 -5.461 12.811 -9.267 1.00 0.00 H new ATOM 0 HA HIS A 72 -4.130 13.222 -7.536 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -6.678 14.003 -6.072 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -5.047 14.477 -5.639 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -5.111 17.156 -6.206 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.601 16.877 -10.168 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.695 18.454 -8.391 1.00 0.00 H new ATOM 1159 N PHE A 73 -6.053 11.797 -5.313 1.00 0.00 N ATOM 1160 CA PHE A 73 -6.143 10.715 -4.337 1.00 0.00 C ATOM 1161 C PHE A 73 -6.982 11.140 -3.136 1.00 0.00 C ATOM 1162 O PHE A 73 -7.564 12.225 -3.127 1.00 0.00 O ATOM 1163 CB PHE A 73 -4.748 10.288 -3.876 1.00 0.00 C ATOM 1164 CG PHE A 73 -4.088 11.277 -2.959 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.223 12.639 -3.173 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -3.329 10.845 -1.883 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -3.615 13.552 -2.332 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -2.718 11.751 -1.039 1.00 0.00 C ATOM 1169 CZ PHE A 73 -2.862 13.107 -1.263 1.00 0.00 C ATOM 0 H PHE A 73 -6.767 12.518 -5.207 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.628 9.866 -4.819 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.821 9.327 -3.367 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.115 10.138 -4.751 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.811 12.992 -4.008 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.214 9.786 -1.702 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.728 14.611 -2.510 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.128 11.400 -0.205 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.387 13.818 -0.603 1.00 0.00 H new ATOM 1179 N ILE A 74 -7.040 10.279 -2.125 1.00 0.00 N ATOM 1180 CA ILE A 74 -7.807 10.566 -0.922 1.00 0.00 C ATOM 1181 C ILE A 74 -7.263 9.799 0.276 1.00 0.00 C ATOM 1182 O ILE A 74 -7.040 8.590 0.205 1.00 0.00 O ATOM 1183 CB ILE A 74 -9.293 10.199 -1.093 1.00 0.00 C ATOM 1184 CG1 ILE A 74 -10.098 10.744 0.104 1.00 0.00 C ATOM 1185 CG2 ILE A 74 -9.434 8.687 -1.240 1.00 0.00 C ATOM 1186 CD1 ILE A 74 -11.362 9.976 0.443 1.00 0.00 C ATOM 0 H ILE A 74 -6.564 9.377 -2.117 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.715 11.638 -0.750 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.694 10.656 -1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -9.451 10.751 0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -10.367 11.780 -0.102 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.486 8.430 -1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.876 8.353 -2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.041 8.197 -0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -11.852 10.441 1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -12.036 9.989 -0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -11.107 8.945 0.688 1.00 0.00 H new ATOM 1198 N TYR A 75 -7.069 10.506 1.381 1.00 0.00 N ATOM 1199 CA TYR A 75 -6.574 9.891 2.604 1.00 0.00 C ATOM 1200 C TYR A 75 -7.581 10.084 3.731 1.00 0.00 C ATOM 1201 O TYR A 75 -8.100 11.181 3.926 1.00 0.00 O ATOM 1202 CB TYR A 75 -5.219 10.483 2.998 1.00 0.00 C ATOM 1203 CG TYR A 75 -4.417 9.590 3.921 1.00 0.00 C ATOM 1204 CD1 TYR A 75 -4.452 8.207 3.783 1.00 0.00 C ATOM 1205 CD2 TYR A 75 -3.625 10.128 4.928 1.00 0.00 C ATOM 1206 CE1 TYR A 75 -3.723 7.387 4.624 1.00 0.00 C ATOM 1207 CE2 TYR A 75 -2.891 9.314 5.771 1.00 0.00 C ATOM 1208 CZ TYR A 75 -2.944 7.946 5.615 1.00 0.00 C ATOM 1209 OH TYR A 75 -2.217 7.133 6.454 1.00 0.00 O ATOM 0 H TYR A 75 -7.247 11.508 1.455 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.442 8.824 2.425 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -4.639 10.675 2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -5.379 11.445 3.484 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.059 7.766 3.006 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.582 11.200 5.054 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.763 6.314 4.505 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -2.279 9.748 6.548 1.00 0.00 H new ATOM 0 HH TYR A 75 -2.171 6.230 6.076 1.00 0.00 H new ATOM 1219 N PHE A 76 -7.865 9.011 4.462 1.00 0.00 N ATOM 1220 CA PHE A 76 -8.822 9.075 5.560 1.00 0.00 C ATOM 1221 C PHE A 76 -8.497 8.041 6.633 1.00 0.00 C ATOM 1222 O PHE A 76 -7.722 7.112 6.403 1.00 0.00 O ATOM 1223 CB PHE A 76 -10.243 8.861 5.037 1.00 0.00 C ATOM 1224 CG PHE A 76 -10.329 7.851 3.928 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -9.754 8.109 2.694 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -10.982 6.645 4.121 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -9.829 7.181 1.672 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -11.061 5.713 3.103 1.00 0.00 C ATOM 1229 CZ PHE A 76 -10.483 5.982 1.877 1.00 0.00 C ATOM 0 H PHE A 76 -7.449 8.092 4.315 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.753 10.065 6.010 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.880 8.539 5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.638 9.813 4.682 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.242 9.045 2.529 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.435 6.430 5.078 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -9.377 7.393 0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -11.574 4.776 3.266 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.543 5.256 1.080 1.00 0.00 H new ATOM 1239 N TYR A 77 -9.095 8.210 7.808 1.00 0.00 N ATOM 1240 CA TYR A 77 -8.871 7.298 8.921 1.00 0.00 C ATOM 1241 C TYR A 77 -10.187 6.697 9.408 1.00 0.00 C ATOM 1242 O TYR A 77 -10.867 7.274 10.256 1.00 0.00 O ATOM 1243 CB TYR A 77 -8.170 8.033 10.067 1.00 0.00 C ATOM 1244 CG TYR A 77 -7.927 7.179 11.293 1.00 0.00 C ATOM 1245 CD1 TYR A 77 -8.986 6.726 12.069 1.00 0.00 C ATOM 1246 CD2 TYR A 77 -6.638 6.831 11.677 1.00 0.00 C ATOM 1247 CE1 TYR A 77 -8.768 5.949 13.192 1.00 0.00 C ATOM 1248 CE2 TYR A 77 -6.412 6.053 12.799 1.00 0.00 C ATOM 1249 CZ TYR A 77 -7.480 5.616 13.552 1.00 0.00 C ATOM 1250 OH TYR A 77 -7.260 4.843 14.668 1.00 0.00 O ATOM 0 H TYR A 77 -9.740 8.973 8.013 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.234 6.484 8.575 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.214 8.415 9.708 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.771 8.896 10.352 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.997 6.985 11.791 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.798 7.173 11.090 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.603 5.605 13.784 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.404 5.790 13.083 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.297 4.698 14.781 1.00 0.00 H new ATOM 1260 N LEU A 78 -10.538 5.534 8.865 1.00 0.00 N ATOM 1261 CA LEU A 78 -11.770 4.854 9.249 1.00 0.00 C ATOM 1262 C LEU A 78 -11.900 4.791 10.767 1.00 0.00 C ATOM 1263 O LEU A 78 -10.935 5.046 11.487 1.00 0.00 O ATOM 1264 CB LEU A 78 -11.801 3.439 8.666 1.00 0.00 C ATOM 1265 CG LEU A 78 -12.534 3.305 7.331 1.00 0.00 C ATOM 1266 CD1 LEU A 78 -14.013 3.612 7.503 1.00 0.00 C ATOM 1267 CD2 LEU A 78 -11.915 4.222 6.288 1.00 0.00 C ATOM 0 H LEU A 78 -9.988 5.045 8.159 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.610 5.422 8.850 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.775 3.093 8.536 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.272 2.774 9.390 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.435 2.276 6.985 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.519 3.512 6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.449 2.914 8.218 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.133 4.631 7.872 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.450 4.113 5.344 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.983 5.256 6.626 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.868 3.955 6.145 1.00 0.00 H new ATOM 1279 N GLY A 79 -13.097 4.453 11.242 1.00 0.00 N ATOM 1280 CA GLY A 79 -13.339 4.361 12.673 1.00 0.00 C ATOM 1281 C GLY A 79 -12.076 4.094 13.472 1.00 0.00 C ATOM 1282 O GLY A 79 -11.745 4.842 14.391 1.00 0.00 O ATOM 0 H GLY A 79 -13.906 4.240 10.659 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.792 5.290 13.020 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.058 3.565 12.864 1.00 0.00 H new ATOM 1286 N GLN A 80 -11.366 3.026 13.118 1.00 0.00 N ATOM 1287 CA GLN A 80 -10.130 2.666 13.809 1.00 0.00 C ATOM 1288 C GLN A 80 -9.052 2.260 12.809 1.00 0.00 C ATOM 1289 O GLN A 80 -8.015 1.712 13.182 1.00 0.00 O ATOM 1290 CB GLN A 80 -10.380 1.523 14.797 1.00 0.00 C ATOM 1291 CG GLN A 80 -11.792 0.962 14.745 1.00 0.00 C ATOM 1292 CD GLN A 80 -11.948 -0.132 13.707 1.00 0.00 C ATOM 1293 OE1 GLN A 80 -12.570 0.069 12.664 1.00 0.00 O ATOM 1294 NE2 GLN A 80 -11.380 -1.299 13.988 1.00 0.00 N ATOM 0 H GLN A 80 -11.624 2.396 12.359 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.785 3.540 14.361 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -9.672 0.719 14.594 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.178 1.878 15.807 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -12.058 0.568 15.726 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -12.491 1.769 14.525 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.874 -1.422 14.865 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.450 -2.073 13.327 1.00 0.00 H new ATOM 1303 N VAL A 81 -9.310 2.535 11.536 1.00 0.00 N ATOM 1304 CA VAL A 81 -8.373 2.201 10.470 1.00 0.00 C ATOM 1305 C VAL A 81 -8.121 3.415 9.580 1.00 0.00 C ATOM 1306 O VAL A 81 -8.680 4.485 9.808 1.00 0.00 O ATOM 1307 CB VAL A 81 -8.908 1.037 9.611 1.00 0.00 C ATOM 1308 CG1 VAL A 81 -7.853 0.565 8.624 1.00 0.00 C ATOM 1309 CG2 VAL A 81 -9.366 -0.111 10.497 1.00 0.00 C ATOM 0 H VAL A 81 -10.165 2.991 11.216 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.436 1.894 10.935 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.766 1.397 9.043 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.253 -0.256 8.029 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.576 1.389 7.966 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.972 0.224 9.168 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.741 -0.924 9.875 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.526 -0.468 11.093 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -10.160 0.235 11.159 1.00 0.00 H new ATOM 1319 N ALA A 82 -7.275 3.246 8.569 1.00 0.00 N ATOM 1320 CA ALA A 82 -6.959 4.332 7.650 1.00 0.00 C ATOM 1321 C ALA A 82 -6.839 3.812 6.225 1.00 0.00 C ATOM 1322 O ALA A 82 -6.357 2.702 5.999 1.00 0.00 O ATOM 1323 CB ALA A 82 -5.675 5.028 8.077 1.00 0.00 C ATOM 0 H ALA A 82 -6.797 2.368 8.366 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.772 5.057 7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.451 5.837 7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.798 5.436 9.080 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.854 4.311 8.075 1.00 0.00 H new ATOM 1329 N ILE A 83 -7.289 4.609 5.263 1.00 0.00 N ATOM 1330 CA ILE A 83 -7.234 4.209 3.864 1.00 0.00 C ATOM 1331 C ILE A 83 -6.632 5.301 2.988 1.00 0.00 C ATOM 1332 O ILE A 83 -7.097 6.441 2.989 1.00 0.00 O ATOM 1333 CB ILE A 83 -8.632 3.848 3.324 1.00 0.00 C ATOM 1334 CG1 ILE A 83 -9.587 3.522 4.476 1.00 0.00 C ATOM 1335 CG2 ILE A 83 -8.538 2.675 2.360 1.00 0.00 C ATOM 1336 CD1 ILE A 83 -9.261 2.226 5.186 1.00 0.00 C ATOM 0 H ILE A 83 -7.694 5.531 5.426 1.00 0.00 H new ATOM 0 HA ILE A 83 -6.594 3.328 3.823 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.028 4.709 2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.563 4.338 5.198 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.605 3.468 4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.532 2.431 1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -7.892 2.942 1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.123 1.811 2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -9.979 2.061 5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.313 1.400 4.477 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.256 2.283 5.604 1.00 0.00 H new ATOM 1348 N LEU A 84 -5.600 4.939 2.232 1.00 0.00 N ATOM 1349 CA LEU A 84 -4.932 5.877 1.337 1.00 0.00 C ATOM 1350 C LEU A 84 -5.165 5.473 -0.115 1.00 0.00 C ATOM 1351 O LEU A 84 -4.472 4.605 -0.646 1.00 0.00 O ATOM 1352 CB LEU A 84 -3.430 5.926 1.648 1.00 0.00 C ATOM 1353 CG LEU A 84 -2.516 6.194 0.449 1.00 0.00 C ATOM 1354 CD1 LEU A 84 -1.987 7.616 0.492 1.00 0.00 C ATOM 1355 CD2 LEU A 84 -1.369 5.196 0.423 1.00 0.00 C ATOM 0 H LEU A 84 -5.207 3.998 2.222 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.350 6.872 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.257 6.701 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.139 4.977 2.099 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.098 6.073 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.339 7.789 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.822 8.316 0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.419 7.765 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.729 5.400 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.787 5.287 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.768 4.185 0.345 1.00 0.00 H new ATOM 1367 N LEU A 85 -6.151 6.096 -0.750 1.00 0.00 N ATOM 1368 CA LEU A 85 -6.482 5.787 -2.137 1.00 0.00 C ATOM 1369 C LEU A 85 -5.803 6.753 -3.102 1.00 0.00 C ATOM 1370 O LEU A 85 -5.905 7.968 -2.954 1.00 0.00 O ATOM 1371 CB LEU A 85 -7.997 5.839 -2.339 1.00 0.00 C ATOM 1372 CG LEU A 85 -8.663 4.489 -2.605 1.00 0.00 C ATOM 1373 CD1 LEU A 85 -8.607 3.617 -1.362 1.00 0.00 C ATOM 1374 CD2 LEU A 85 -10.101 4.685 -3.058 1.00 0.00 C ATOM 0 H LEU A 85 -6.735 6.818 -0.327 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.118 4.782 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.451 6.282 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.214 6.504 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.119 3.985 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.085 2.659 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.567 3.450 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.128 4.115 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.560 3.714 -3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.659 5.208 -2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.117 5.274 -3.975 1.00 0.00 H new ATOM 1386 N PHE A 86 -5.121 6.202 -4.101 1.00 0.00 N ATOM 1387 CA PHE A 86 -4.436 7.021 -5.097 1.00 0.00 C ATOM 1388 C PHE A 86 -4.163 6.220 -6.371 1.00 0.00 C ATOM 1389 O PHE A 86 -3.468 5.206 -6.341 1.00 0.00 O ATOM 1390 CB PHE A 86 -3.136 7.598 -4.512 1.00 0.00 C ATOM 1391 CG PHE A 86 -1.877 6.916 -4.981 1.00 0.00 C ATOM 1392 CD1 PHE A 86 -1.255 7.315 -6.154 1.00 0.00 C ATOM 1393 CD2 PHE A 86 -1.318 5.882 -4.247 1.00 0.00 C ATOM 1394 CE1 PHE A 86 -0.098 6.695 -6.586 1.00 0.00 C ATOM 1395 CE2 PHE A 86 -0.161 5.258 -4.676 1.00 0.00 C ATOM 1396 CZ PHE A 86 0.449 5.665 -5.847 1.00 0.00 C ATOM 0 H PHE A 86 -5.028 5.196 -4.243 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.087 7.853 -5.366 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.077 8.656 -4.768 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.184 7.535 -3.425 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.679 8.119 -6.737 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.791 5.560 -3.331 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.378 7.016 -7.501 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.266 4.453 -4.096 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.352 5.178 -6.184 1.00 0.00 H new ATOM 1406 N LYS A 87 -4.718 6.686 -7.486 1.00 0.00 N ATOM 1407 CA LYS A 87 -4.538 6.018 -8.770 1.00 0.00 C ATOM 1408 C LYS A 87 -3.692 6.865 -9.714 1.00 0.00 C ATOM 1409 O LYS A 87 -3.710 8.094 -9.649 1.00 0.00 O ATOM 1410 CB LYS A 87 -5.897 5.728 -9.408 1.00 0.00 C ATOM 1411 CG LYS A 87 -6.730 6.972 -9.656 1.00 0.00 C ATOM 1412 CD LYS A 87 -8.057 6.630 -10.312 1.00 0.00 C ATOM 1413 CE LYS A 87 -7.953 6.659 -11.827 1.00 0.00 C ATOM 1414 NZ LYS A 87 -8.987 7.538 -12.438 1.00 0.00 N ATOM 0 H LYS A 87 -5.297 7.525 -7.526 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.016 5.078 -8.592 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.741 5.210 -10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.455 5.050 -8.762 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.911 7.485 -8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.175 7.662 -10.292 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.380 5.641 -9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.819 7.338 -9.985 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.962 7.009 -12.116 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.060 5.647 -12.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.882 7.530 -13.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.933 7.190 -12.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.869 8.509 -12.085 1.00 0.00 H new ATOM 1428 N SER A 88 -2.953 6.197 -10.593 1.00 0.00 N ATOM 1429 CA SER A 88 -2.100 6.882 -11.556 1.00 0.00 C ATOM 1430 C SER A 88 -2.637 6.705 -12.966 1.00 0.00 C ATOM 1431 O SER A 88 -1.924 6.896 -13.951 1.00 0.00 O ATOM 1432 CB SER A 88 -0.675 6.346 -11.472 1.00 0.00 C ATOM 1433 OG SER A 88 0.274 7.368 -11.721 1.00 0.00 O ATOM 0 H SER A 88 -2.928 5.179 -10.658 1.00 0.00 H new ATOM 0 HA SER A 88 -2.095 7.945 -11.315 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.502 5.919 -10.484 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.544 5.541 -12.195 1.00 0.00 H new ATOM 0 HG SER A 88 0.050 7.826 -12.558 1.00 0.00 H new ATOM 1490 N ARG B 4 21.013 -0.452 7.024 1.00 0.00 N ATOM 1491 CA ARG B 4 20.128 -1.491 6.512 1.00 0.00 C ATOM 1492 C ARG B 4 19.010 -1.794 7.502 1.00 0.00 C ATOM 1493 O ARG B 4 18.207 -2.702 7.287 1.00 0.00 O ATOM 1494 CB ARG B 4 20.920 -2.765 6.211 1.00 0.00 C ATOM 1495 CG ARG B 4 20.618 -3.359 4.844 1.00 0.00 C ATOM 1496 CD ARG B 4 21.835 -3.313 3.934 1.00 0.00 C ATOM 1497 NE ARG B 4 22.188 -4.636 3.426 1.00 0.00 N ATOM 1498 CZ ARG B 4 23.375 -5.204 3.613 1.00 0.00 C ATOM 1499 NH1 ARG B 4 24.318 -4.565 4.292 1.00 0.00 N ATOM 1500 NH2 ARG B 4 23.620 -6.410 3.119 1.00 0.00 N ATOM 0 HA ARG B 4 19.679 -1.125 5.589 1.00 0.00 H new ATOM 0 HB2 ARG B 4 21.986 -2.544 6.275 1.00 0.00 H new ATOM 0 HB3 ARG B 4 20.702 -3.509 6.978 1.00 0.00 H new ATOM 0 HG2 ARG B 4 20.288 -4.391 4.960 1.00 0.00 H new ATOM 0 HG3 ARG B 4 19.796 -2.812 4.382 1.00 0.00 H new ATOM 0 HD2 ARG B 4 21.637 -2.644 3.097 1.00 0.00 H new ATOM 0 HD3 ARG B 4 22.681 -2.897 4.481 1.00 0.00 H new ATOM 0 HE ARG B 4 21.484 -5.153 2.898 1.00 0.00 H new ATOM 0 HH11 ARG B 4 24.133 -3.637 4.671 1.00 0.00 H new ATOM 0 HH12 ARG B 4 25.229 -5.002 4.435 1.00 0.00 H new ATOM 0 HH21 ARG B 4 22.897 -6.903 2.595 1.00 0.00 H new ATOM 0 HH22 ARG B 4 24.531 -6.845 3.263 1.00 0.00 H new ATOM 1514 N LYS B 5 18.959 -1.028 8.587 1.00 0.00 N ATOM 1515 CA LYS B 5 17.934 -1.218 9.606 1.00 0.00 C ATOM 1516 C LYS B 5 16.554 -1.336 8.969 1.00 0.00 C ATOM 1517 O LYS B 5 16.085 -0.409 8.312 1.00 0.00 O ATOM 1518 CB LYS B 5 17.953 -0.058 10.605 1.00 0.00 C ATOM 1519 CG LYS B 5 18.385 -0.467 12.005 1.00 0.00 C ATOM 1520 CD LYS B 5 17.766 0.431 13.065 1.00 0.00 C ATOM 1521 CE LYS B 5 18.623 0.485 14.319 1.00 0.00 C ATOM 1522 NZ LYS B 5 20.047 0.159 14.033 1.00 0.00 N ATOM 0 H LYS B 5 19.614 -0.271 8.783 1.00 0.00 H new ATOM 0 HA LYS B 5 18.151 -2.145 10.137 1.00 0.00 H new ATOM 0 HB2 LYS B 5 18.627 0.716 10.237 1.00 0.00 H new ATOM 0 HB3 LYS B 5 16.958 0.383 10.655 1.00 0.00 H new ATOM 0 HG2 LYS B 5 18.095 -1.501 12.189 1.00 0.00 H new ATOM 0 HG3 LYS B 5 19.472 -0.423 12.079 1.00 0.00 H new ATOM 0 HD2 LYS B 5 17.642 1.437 12.664 1.00 0.00 H new ATOM 0 HD3 LYS B 5 16.771 0.064 13.318 1.00 0.00 H new ATOM 0 HE2 LYS B 5 18.560 1.480 14.759 1.00 0.00 H new ATOM 0 HE3 LYS B 5 18.231 -0.215 15.057 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 20.629 0.386 14.865 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 20.134 -0.854 13.815 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 20.374 0.718 13.219 1.00 0.00 H new ATOM 1536 N ALA B 6 15.914 -2.486 9.171 1.00 0.00 N ATOM 1537 CA ALA B 6 14.588 -2.745 8.620 1.00 0.00 C ATOM 1538 C ALA B 6 14.309 -4.243 8.564 1.00 0.00 C ATOM 1539 O ALA B 6 15.144 -5.055 8.964 1.00 0.00 O ATOM 1540 CB ALA B 6 14.453 -2.136 7.232 1.00 0.00 C ATOM 0 H ALA B 6 16.297 -3.258 9.717 1.00 0.00 H new ATOM 0 HA ALA B 6 13.854 -2.279 9.278 1.00 0.00 H new ATOM 0 HB1 ALA B 6 13.457 -2.341 6.840 1.00 0.00 H new ATOM 0 HB2 ALA B 6 14.605 -1.058 7.291 1.00 0.00 H new ATOM 0 HB3 ALA B 6 15.201 -2.572 6.569 1.00 0.00 H new ATOM 1546 N VAL B 7 13.133 -4.601 8.063 1.00 0.00 N ATOM 1547 CA VAL B 7 12.745 -6.000 7.949 1.00 0.00 C ATOM 1548 C VAL B 7 11.904 -6.230 6.698 1.00 0.00 C ATOM 1549 O VAL B 7 10.735 -6.604 6.788 1.00 0.00 O ATOM 1550 CB VAL B 7 11.949 -6.467 9.182 1.00 0.00 C ATOM 1551 CG1 VAL B 7 11.651 -7.956 9.095 1.00 0.00 C ATOM 1552 CG2 VAL B 7 12.702 -6.141 10.462 1.00 0.00 C ATOM 0 H VAL B 7 12.431 -3.940 7.729 1.00 0.00 H new ATOM 0 HA VAL B 7 13.665 -6.581 7.882 1.00 0.00 H new ATOM 0 HB VAL B 7 11.000 -5.931 9.200 1.00 0.00 H new ATOM 0 HG11 VAL B 7 11.088 -8.266 9.975 1.00 0.00 H new ATOM 0 HG12 VAL B 7 11.064 -8.158 8.199 1.00 0.00 H new ATOM 0 HG13 VAL B 7 12.587 -8.512 9.048 1.00 0.00 H new ATOM 0 HG21 VAL B 7 12.123 -6.479 11.321 1.00 0.00 H new ATOM 0 HG22 VAL B 7 13.668 -6.646 10.454 1.00 0.00 H new ATOM 0 HG23 VAL B 7 12.856 -5.064 10.529 1.00 0.00 H new ATOM 1562 N ILE B 8 12.505 -6.002 5.534 1.00 0.00 N ATOM 1563 CA ILE B 8 11.802 -6.184 4.271 1.00 0.00 C ATOM 1564 C ILE B 8 10.802 -7.333 4.378 1.00 0.00 C ATOM 1565 O ILE B 8 11.020 -8.294 5.118 1.00 0.00 O ATOM 1566 CB ILE B 8 12.799 -6.422 3.099 1.00 0.00 C ATOM 1567 CG1 ILE B 8 13.073 -5.102 2.377 1.00 0.00 C ATOM 1568 CG2 ILE B 8 12.289 -7.463 2.105 1.00 0.00 C ATOM 1569 CD1 ILE B 8 14.370 -4.444 2.791 1.00 0.00 C ATOM 0 H ILE B 8 13.472 -5.692 5.440 1.00 0.00 H new ATOM 0 HA ILE B 8 11.253 -5.268 4.055 1.00 0.00 H new ATOM 0 HB ILE B 8 13.722 -6.810 3.529 1.00 0.00 H new ATOM 0 HG12 ILE B 8 13.094 -5.283 1.302 1.00 0.00 H new ATOM 0 HG13 ILE B 8 12.249 -4.415 2.569 1.00 0.00 H new ATOM 0 HG21 ILE B 8 13.020 -7.593 1.307 1.00 0.00 H new ATOM 0 HG22 ILE B 8 12.139 -8.413 2.618 1.00 0.00 H new ATOM 0 HG23 ILE B 8 11.343 -7.127 1.680 1.00 0.00 H new ATOM 0 HD11 ILE B 8 14.498 -3.513 2.239 1.00 0.00 H new ATOM 0 HD12 ILE B 8 14.345 -4.231 3.860 1.00 0.00 H new ATOM 0 HD13 ILE B 8 15.203 -5.113 2.574 1.00 0.00 H new ATOM 1581 N LYS B 9 9.707 -7.224 3.638 1.00 0.00 N ATOM 1582 CA LYS B 9 8.675 -8.252 3.651 1.00 0.00 C ATOM 1583 C LYS B 9 7.988 -8.351 2.294 1.00 0.00 C ATOM 1584 O LYS B 9 7.107 -9.188 2.092 1.00 0.00 O ATOM 1585 CB LYS B 9 7.644 -7.960 4.744 1.00 0.00 C ATOM 1586 CG LYS B 9 8.251 -7.817 6.132 1.00 0.00 C ATOM 1587 CD LYS B 9 7.785 -8.928 7.060 1.00 0.00 C ATOM 1588 CE LYS B 9 8.553 -8.918 8.372 1.00 0.00 C ATOM 1589 NZ LYS B 9 7.803 -9.598 9.465 1.00 0.00 N ATOM 0 H LYS B 9 9.510 -6.435 3.022 1.00 0.00 H new ATOM 0 HA LYS B 9 9.153 -9.208 3.864 1.00 0.00 H new ATOM 0 HB2 LYS B 9 7.111 -7.043 4.493 1.00 0.00 H new ATOM 0 HB3 LYS B 9 6.907 -8.763 4.760 1.00 0.00 H new ATOM 0 HG2 LYS B 9 9.338 -7.835 6.059 1.00 0.00 H new ATOM 0 HG3 LYS B 9 7.976 -6.850 6.553 1.00 0.00 H new ATOM 0 HD2 LYS B 9 6.720 -8.813 7.260 1.00 0.00 H new ATOM 0 HD3 LYS B 9 7.915 -9.892 6.569 1.00 0.00 H new ATOM 0 HE2 LYS B 9 9.515 -9.411 8.232 1.00 0.00 H new ATOM 0 HE3 LYS B 9 8.761 -7.888 8.662 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 8.363 -9.568 10.341 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 6.896 -9.113 9.617 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 7.626 -10.588 9.201 1.00 0.00 H new ATOM 1603 N ASN B 10 8.397 -7.492 1.368 1.00 0.00 N ATOM 1604 CA ASN B 10 7.822 -7.483 0.027 1.00 0.00 C ATOM 1605 C ASN B 10 8.549 -6.484 -0.866 1.00 0.00 C ATOM 1606 O ASN B 10 8.103 -5.349 -1.033 1.00 0.00 O ATOM 1607 CB ASN B 10 6.335 -7.136 0.093 1.00 0.00 C ATOM 1608 CG ASN B 10 5.537 -7.795 -1.015 1.00 0.00 C ATOM 1609 OD1 ASN B 10 6.218 -8.554 -1.864 1.00 0.00 O flip ATOM 1610 ND2 ASN B 10 4.320 -7.627 -1.104 1.00 0.00 N flip ATOM 0 H ASN B 10 9.124 -6.793 1.520 1.00 0.00 H new ATOM 0 HA ASN B 10 7.938 -8.479 -0.401 1.00 0.00 H new ATOM 0 HB2 ASN B 10 5.935 -7.446 1.058 1.00 0.00 H new ATOM 0 HB3 ASN B 10 6.214 -6.055 0.030 1.00 0.00 H new ATOM 0 HD21 ASN B 10 3.836 -7.035 -0.429 1.00 0.00 H new ATOM 0 HD22 ASN B 10 3.796 -8.080 -1.853 1.00 0.00 H new ATOM 1617 N ALA B 11 9.673 -6.910 -1.432 1.00 0.00 N ATOM 1618 CA ALA B 11 10.463 -6.043 -2.297 1.00 0.00 C ATOM 1619 C ALA B 11 10.677 -6.660 -3.676 1.00 0.00 C ATOM 1620 O ALA B 11 11.368 -7.668 -3.817 1.00 0.00 O ATOM 1621 CB ALA B 11 11.803 -5.738 -1.647 1.00 0.00 C ATOM 0 H ALA B 11 10.056 -7.847 -1.308 1.00 0.00 H new ATOM 0 HA ALA B 11 9.906 -5.116 -2.433 1.00 0.00 H new ATOM 0 HB1 ALA B 11 12.386 -5.090 -2.301 1.00 0.00 H new ATOM 0 HB2 ALA B 11 11.639 -5.238 -0.693 1.00 0.00 H new ATOM 0 HB3 ALA B 11 12.347 -6.668 -1.480 1.00 0.00 H new ATOM 1627 N ASP B 12 10.092 -6.032 -4.691 1.00 0.00 N ATOM 1628 CA ASP B 12 10.228 -6.498 -6.064 1.00 0.00 C ATOM 1629 C ASP B 12 11.074 -5.516 -6.866 1.00 0.00 C ATOM 1630 O ASP B 12 10.801 -5.251 -8.037 1.00 0.00 O ATOM 1631 CB ASP B 12 8.853 -6.656 -6.717 1.00 0.00 C ATOM 1632 CG ASP B 12 8.073 -7.824 -6.146 1.00 0.00 C ATOM 1633 OD1 ASP B 12 8.703 -8.733 -5.565 1.00 0.00 O ATOM 1634 OD2 ASP B 12 6.831 -7.832 -6.283 1.00 0.00 O ATOM 0 H ASP B 12 9.517 -5.196 -4.586 1.00 0.00 H new ATOM 0 HA ASP B 12 10.721 -7.470 -6.053 1.00 0.00 H new ATOM 0 HB2 ASP B 12 8.281 -5.739 -6.579 1.00 0.00 H new ATOM 0 HB3 ASP B 12 8.978 -6.796 -7.791 1.00 0.00 H new ATOM 1639 N MET B 13 12.097 -4.968 -6.216 1.00 0.00 N ATOM 1640 CA MET B 13 12.986 -4.002 -6.850 1.00 0.00 C ATOM 1641 C MET B 13 14.444 -4.441 -6.737 1.00 0.00 C ATOM 1642 O MET B 13 14.759 -5.396 -6.029 1.00 0.00 O ATOM 1643 CB MET B 13 12.803 -2.629 -6.201 1.00 0.00 C ATOM 1644 CG MET B 13 13.927 -1.653 -6.501 1.00 0.00 C ATOM 1645 SD MET B 13 13.397 0.066 -6.392 1.00 0.00 S ATOM 1646 CE MET B 13 12.817 0.136 -4.698 1.00 0.00 C ATOM 0 H MET B 13 12.331 -5.179 -5.246 1.00 0.00 H new ATOM 0 HA MET B 13 12.730 -3.942 -7.908 1.00 0.00 H new ATOM 0 HB2 MET B 13 11.861 -2.199 -6.542 1.00 0.00 H new ATOM 0 HB3 MET B 13 12.723 -2.756 -5.121 1.00 0.00 H new ATOM 0 HG2 MET B 13 14.746 -1.822 -5.802 1.00 0.00 H new ATOM 0 HG3 MET B 13 14.315 -1.847 -7.501 1.00 0.00 H new ATOM 0 HE1 MET B 13 12.758 1.176 -4.376 1.00 0.00 H new ATOM 0 HE2 MET B 13 11.829 -0.320 -4.632 1.00 0.00 H new ATOM 0 HE3 MET B 13 13.510 -0.405 -4.054 1.00 0.00 H new ATOM 1656 N SER B 14 15.328 -3.736 -7.438 1.00 0.00 N ATOM 1657 CA SER B 14 16.751 -4.055 -7.411 1.00 0.00 C ATOM 1658 C SER B 14 17.257 -4.157 -5.975 1.00 0.00 C ATOM 1659 O SER B 14 16.847 -3.388 -5.107 1.00 0.00 O ATOM 1660 CB SER B 14 17.549 -2.992 -8.170 1.00 0.00 C ATOM 1661 OG SER B 14 16.701 -2.204 -8.987 1.00 0.00 O ATOM 0 H SER B 14 15.084 -2.942 -8.030 1.00 0.00 H new ATOM 0 HA SER B 14 16.891 -5.020 -7.898 1.00 0.00 H new ATOM 0 HB2 SER B 14 18.074 -2.352 -7.461 1.00 0.00 H new ATOM 0 HB3 SER B 14 18.308 -3.474 -8.786 1.00 0.00 H new ATOM 0 HG SER B 14 17.235 -1.532 -9.460 1.00 0.00 H new ATOM 1667 N GLU B 15 18.151 -5.111 -5.734 1.00 0.00 N ATOM 1668 CA GLU B 15 18.714 -5.314 -4.403 1.00 0.00 C ATOM 1669 C GLU B 15 19.245 -4.003 -3.831 1.00 0.00 C ATOM 1670 O GLU B 15 18.787 -3.538 -2.786 1.00 0.00 O ATOM 1671 CB GLU B 15 19.833 -6.352 -4.455 1.00 0.00 C ATOM 1672 CG GLU B 15 19.345 -7.755 -4.772 1.00 0.00 C ATOM 1673 CD GLU B 15 19.335 -8.046 -6.261 1.00 0.00 C ATOM 1674 OE1 GLU B 15 20.238 -7.552 -6.969 1.00 0.00 O ATOM 1675 OE2 GLU B 15 18.424 -8.767 -6.718 1.00 0.00 O ATOM 0 H GLU B 15 18.501 -5.756 -6.443 1.00 0.00 H new ATOM 0 HA GLU B 15 17.920 -5.678 -3.751 1.00 0.00 H new ATOM 0 HB2 GLU B 15 20.562 -6.051 -5.207 1.00 0.00 H new ATOM 0 HB3 GLU B 15 20.351 -6.364 -3.496 1.00 0.00 H new ATOM 0 HG2 GLU B 15 19.984 -8.480 -4.268 1.00 0.00 H new ATOM 0 HG3 GLU B 15 18.339 -7.885 -4.373 1.00 0.00 H new ATOM 1682 N GLU B 16 20.213 -3.410 -4.520 1.00 0.00 N ATOM 1683 CA GLU B 16 20.801 -2.153 -4.077 1.00 0.00 C ATOM 1684 C GLU B 16 19.717 -1.102 -3.861 1.00 0.00 C ATOM 1685 O GLU B 16 19.919 -0.121 -3.142 1.00 0.00 O ATOM 1686 CB GLU B 16 21.825 -1.655 -5.100 1.00 0.00 C ATOM 1687 CG GLU B 16 23.266 -1.922 -4.695 1.00 0.00 C ATOM 1688 CD GLU B 16 24.059 -2.615 -5.785 1.00 0.00 C ATOM 1689 OE1 GLU B 16 23.756 -2.388 -6.976 1.00 0.00 O ATOM 1690 OE2 GLU B 16 24.984 -3.385 -5.449 1.00 0.00 O ATOM 0 H GLU B 16 20.606 -3.779 -5.386 1.00 0.00 H new ATOM 0 HA GLU B 16 21.309 -2.326 -3.129 1.00 0.00 H new ATOM 0 HB2 GLU B 16 21.631 -2.134 -6.060 1.00 0.00 H new ATOM 0 HB3 GLU B 16 21.689 -0.583 -5.246 1.00 0.00 H new ATOM 0 HG2 GLU B 16 23.750 -0.978 -4.443 1.00 0.00 H new ATOM 0 HG3 GLU B 16 23.279 -2.537 -3.795 1.00 0.00 H new ATOM 1697 N MET B 17 18.563 -1.317 -4.484 1.00 0.00 N ATOM 1698 CA MET B 17 17.440 -0.394 -4.361 1.00 0.00 C ATOM 1699 C MET B 17 16.651 -0.666 -3.086 1.00 0.00 C ATOM 1700 O MET B 17 16.130 0.256 -2.459 1.00 0.00 O ATOM 1701 CB MET B 17 16.520 -0.511 -5.577 1.00 0.00 C ATOM 1702 CG MET B 17 16.935 0.380 -6.738 1.00 0.00 C ATOM 1703 SD MET B 17 15.692 1.621 -7.147 1.00 0.00 S ATOM 1704 CE MET B 17 15.559 2.503 -5.593 1.00 0.00 C ATOM 0 H MET B 17 18.381 -2.124 -5.080 1.00 0.00 H new ATOM 0 HA MET B 17 17.839 0.619 -4.312 1.00 0.00 H new ATOM 0 HB2 MET B 17 16.504 -1.548 -5.912 1.00 0.00 H new ATOM 0 HB3 MET B 17 15.503 -0.257 -5.279 1.00 0.00 H new ATOM 0 HG2 MET B 17 17.872 0.879 -6.490 1.00 0.00 H new ATOM 0 HG3 MET B 17 17.126 -0.239 -7.615 1.00 0.00 H new ATOM 0 HE1 MET B 17 15.308 3.546 -5.787 1.00 0.00 H new ATOM 0 HE2 MET B 17 14.778 2.049 -4.983 1.00 0.00 H new ATOM 0 HE3 MET B 17 16.510 2.451 -5.063 1.00 0.00 H new ATOM 1714 N GLN B 18 16.566 -1.937 -2.704 1.00 0.00 N ATOM 1715 CA GLN B 18 15.840 -2.322 -1.501 1.00 0.00 C ATOM 1716 C GLN B 18 16.609 -1.915 -0.251 1.00 0.00 C ATOM 1717 O GLN B 18 16.017 -1.500 0.746 1.00 0.00 O ATOM 1718 CB GLN B 18 15.573 -3.829 -1.487 1.00 0.00 C ATOM 1719 CG GLN B 18 16.405 -4.607 -2.491 1.00 0.00 C ATOM 1720 CD GLN B 18 15.564 -5.520 -3.362 1.00 0.00 C ATOM 1721 OE1 GLN B 18 14.344 -5.093 -3.660 1.00 0.00 O flip ATOM 1722 NE2 GLN B 18 16.008 -6.596 -3.763 1.00 0.00 N flip ATOM 0 H GLN B 18 16.990 -2.715 -3.209 1.00 0.00 H new ATOM 0 HA GLN B 18 14.884 -1.799 -1.506 1.00 0.00 H new ATOM 0 HB2 GLN B 18 15.772 -4.215 -0.487 1.00 0.00 H new ATOM 0 HB3 GLN B 18 14.517 -4.004 -1.691 1.00 0.00 H new ATOM 0 HG2 GLN B 18 16.951 -3.908 -3.125 1.00 0.00 H new ATOM 0 HG3 GLN B 18 17.148 -5.201 -1.959 1.00 0.00 H new ATOM 0 HE21 GLN B 18 16.953 -6.884 -3.509 1.00 0.00 H new ATOM 0 HE22 GLN B 18 15.431 -7.199 -4.349 1.00 0.00 H new ATOM 1731 N GLN B 19 17.931 -2.025 -0.312 1.00 0.00 N ATOM 1732 CA GLN B 19 18.776 -1.655 0.812 1.00 0.00 C ATOM 1733 C GLN B 19 18.900 -0.143 0.885 1.00 0.00 C ATOM 1734 O GLN B 19 18.847 0.446 1.966 1.00 0.00 O ATOM 1735 CB GLN B 19 20.157 -2.298 0.676 1.00 0.00 C ATOM 1736 CG GLN B 19 20.225 -3.710 1.234 1.00 0.00 C ATOM 1737 CD GLN B 19 19.517 -4.719 0.350 1.00 0.00 C ATOM 1738 OE1 GLN B 19 20.036 -4.917 -0.855 1.00 0.00 O flip ATOM 1739 NE2 GLN B 19 18.515 -5.314 0.748 1.00 0.00 N flip ATOM 0 H GLN B 19 18.438 -2.367 -1.128 1.00 0.00 H new ATOM 0 HA GLN B 19 18.319 -2.018 1.733 1.00 0.00 H new ATOM 0 HB2 GLN B 19 20.438 -2.318 -0.377 1.00 0.00 H new ATOM 0 HB3 GLN B 19 20.891 -1.677 1.190 1.00 0.00 H new ATOM 0 HG2 GLN B 19 21.269 -4.002 1.349 1.00 0.00 H new ATOM 0 HG3 GLN B 19 19.778 -3.726 2.228 1.00 0.00 H new ATOM 0 HE21 GLN B 19 18.150 -5.130 1.683 1.00 0.00 H new ATOM 0 HE22 GLN B 19 18.050 -5.991 0.143 1.00 0.00 H new ATOM 1748 N ASP B 20 19.042 0.484 -0.277 1.00 0.00 N ATOM 1749 CA ASP B 20 19.146 1.930 -0.343 1.00 0.00 C ATOM 1750 C ASP B 20 17.822 2.554 0.079 1.00 0.00 C ATOM 1751 O ASP B 20 17.788 3.616 0.703 1.00 0.00 O ATOM 1752 CB ASP B 20 19.519 2.382 -1.757 1.00 0.00 C ATOM 1753 CG ASP B 20 21.016 2.553 -1.935 1.00 0.00 C ATOM 1754 OD1 ASP B 20 21.779 1.949 -1.152 1.00 0.00 O ATOM 1755 OD2 ASP B 20 21.424 3.290 -2.857 1.00 0.00 O ATOM 0 H ASP B 20 19.087 0.013 -1.181 1.00 0.00 H new ATOM 0 HA ASP B 20 19.933 2.259 0.336 1.00 0.00 H new ATOM 0 HB2 ASP B 20 19.152 1.651 -2.478 1.00 0.00 H new ATOM 0 HB3 ASP B 20 19.020 3.326 -1.977 1.00 0.00 H new ATOM 1760 N SER B 21 16.732 1.868 -0.254 1.00 0.00 N ATOM 1761 CA SER B 21 15.399 2.332 0.100 1.00 0.00 C ATOM 1762 C SER B 21 15.227 2.319 1.611 1.00 0.00 C ATOM 1763 O SER B 21 14.752 3.289 2.202 1.00 0.00 O ATOM 1764 CB SER B 21 14.334 1.453 -0.561 1.00 0.00 C ATOM 1765 OG SER B 21 13.412 0.963 0.395 1.00 0.00 O ATOM 0 H SER B 21 16.749 0.988 -0.769 1.00 0.00 H new ATOM 0 HA SER B 21 15.277 3.353 -0.261 1.00 0.00 H new ATOM 0 HB2 SER B 21 13.804 2.028 -1.321 1.00 0.00 H new ATOM 0 HB3 SER B 21 14.813 0.617 -1.070 1.00 0.00 H new ATOM 0 HG SER B 21 13.067 1.709 0.929 1.00 0.00 H new ATOM 1771 N VAL B 22 15.632 1.217 2.234 1.00 0.00 N ATOM 1772 CA VAL B 22 15.539 1.086 3.678 1.00 0.00 C ATOM 1773 C VAL B 22 16.279 2.228 4.359 1.00 0.00 C ATOM 1774 O VAL B 22 15.794 2.806 5.331 1.00 0.00 O ATOM 1775 CB VAL B 22 16.119 -0.252 4.166 1.00 0.00 C ATOM 1776 CG1 VAL B 22 16.163 -0.287 5.683 1.00 0.00 C ATOM 1777 CG2 VAL B 22 15.309 -1.419 3.620 1.00 0.00 C ATOM 0 H VAL B 22 16.027 0.405 1.760 1.00 0.00 H new ATOM 0 HA VAL B 22 14.481 1.120 3.939 1.00 0.00 H new ATOM 0 HB VAL B 22 17.139 -0.345 3.792 1.00 0.00 H new ATOM 0 HG11 VAL B 22 16.576 -1.240 6.013 1.00 0.00 H new ATOM 0 HG12 VAL B 22 16.791 0.526 6.048 1.00 0.00 H new ATOM 0 HG13 VAL B 22 15.154 -0.172 6.079 1.00 0.00 H new ATOM 0 HG21 VAL B 22 15.736 -2.356 3.977 1.00 0.00 H new ATOM 0 HG22 VAL B 22 14.277 -1.337 3.961 1.00 0.00 H new ATOM 0 HG23 VAL B 22 15.333 -1.401 2.530 1.00 0.00 H new ATOM 1787 N GLU B 23 17.456 2.554 3.833 1.00 0.00 N ATOM 1788 CA GLU B 23 18.261 3.637 4.382 1.00 0.00 C ATOM 1789 C GLU B 23 17.499 4.954 4.306 1.00 0.00 C ATOM 1790 O GLU B 23 17.549 5.763 5.232 1.00 0.00 O ATOM 1791 CB GLU B 23 19.590 3.750 3.632 1.00 0.00 C ATOM 1792 CG GLU B 23 20.271 2.411 3.397 1.00 0.00 C ATOM 1793 CD GLU B 23 21.361 2.489 2.345 1.00 0.00 C ATOM 1794 OE1 GLU B 23 21.786 3.615 2.012 1.00 0.00 O ATOM 1795 OE2 GLU B 23 21.790 1.423 1.855 1.00 0.00 O ATOM 0 H GLU B 23 17.872 2.084 3.029 1.00 0.00 H new ATOM 0 HA GLU B 23 18.471 3.415 5.428 1.00 0.00 H new ATOM 0 HB2 GLU B 23 19.415 4.233 2.671 1.00 0.00 H new ATOM 0 HB3 GLU B 23 20.262 4.396 4.196 1.00 0.00 H new ATOM 0 HG2 GLU B 23 20.700 2.056 4.334 1.00 0.00 H new ATOM 0 HG3 GLU B 23 19.526 1.677 3.089 1.00 0.00 H new ATOM 1802 N CYS B 24 16.783 5.158 3.203 1.00 0.00 N ATOM 1803 CA CYS B 24 16.001 6.376 3.024 1.00 0.00 C ATOM 1804 C CYS B 24 14.861 6.419 4.033 1.00 0.00 C ATOM 1805 O CYS B 24 14.484 7.487 4.519 1.00 0.00 O ATOM 1806 CB CYS B 24 15.445 6.454 1.600 1.00 0.00 C ATOM 1807 SG CYS B 24 15.086 8.134 1.037 1.00 0.00 S ATOM 0 H CYS B 24 16.729 4.500 2.425 1.00 0.00 H new ATOM 0 HA CYS B 24 16.654 7.233 3.189 1.00 0.00 H new ATOM 0 HB2 CYS B 24 16.162 5.999 0.916 1.00 0.00 H new ATOM 0 HB3 CYS B 24 14.532 5.861 1.545 1.00 0.00 H new ATOM 0 HG CYS B 24 16.044 8.930 1.408 1.00 0.00 H new ATOM 1813 N ALA B 25 14.338 5.245 4.370 1.00 0.00 N ATOM 1814 CA ALA B 25 13.267 5.142 5.346 1.00 0.00 C ATOM 1815 C ALA B 25 13.841 5.394 6.724 1.00 0.00 C ATOM 1816 O ALA B 25 13.189 5.951 7.607 1.00 0.00 O ATOM 1817 CB ALA B 25 12.611 3.770 5.280 1.00 0.00 C ATOM 0 H ALA B 25 14.641 4.353 3.980 1.00 0.00 H new ATOM 0 HA ALA B 25 12.500 5.885 5.128 1.00 0.00 H new ATOM 0 HB1 ALA B 25 11.812 3.713 6.019 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.197 3.612 4.284 1.00 0.00 H new ATOM 0 HB3 ALA B 25 13.354 3.001 5.490 1.00 0.00 H new ATOM 1823 N THR B 26 15.094 4.991 6.875 1.00 0.00 N ATOM 1824 CA THR B 26 15.819 5.171 8.114 1.00 0.00 C ATOM 1825 C THR B 26 16.172 6.640 8.291 1.00 0.00 C ATOM 1826 O THR B 26 16.086 7.187 9.390 1.00 0.00 O ATOM 1827 CB THR B 26 17.086 4.326 8.092 1.00 0.00 C ATOM 1828 OG1 THR B 26 16.771 2.949 7.994 1.00 0.00 O ATOM 1829 CG2 THR B 26 17.948 4.515 9.312 1.00 0.00 C ATOM 0 H THR B 26 15.632 4.531 6.140 1.00 0.00 H new ATOM 0 HA THR B 26 15.196 4.854 8.950 1.00 0.00 H new ATOM 0 HB THR B 26 17.643 4.664 7.218 1.00 0.00 H new ATOM 0 HG1 THR B 26 16.428 2.755 7.097 1.00 0.00 H new ATOM 0 HG21 THR B 26 18.834 3.885 9.233 1.00 0.00 H new ATOM 0 HG22 THR B 26 18.251 5.559 9.385 1.00 0.00 H new ATOM 0 HG23 THR B 26 17.384 4.238 10.203 1.00 0.00 H new ATOM 1837 N GLN B 27 16.549 7.279 7.185 1.00 0.00 N ATOM 1838 CA GLN B 27 16.893 8.691 7.204 1.00 0.00 C ATOM 1839 C GLN B 27 15.709 9.490 7.724 1.00 0.00 C ATOM 1840 O GLN B 27 15.853 10.352 8.591 1.00 0.00 O ATOM 1841 CB GLN B 27 17.282 9.171 5.804 1.00 0.00 C ATOM 1842 CG GLN B 27 18.663 8.712 5.365 1.00 0.00 C ATOM 1843 CD GLN B 27 19.741 9.067 6.369 1.00 0.00 C ATOM 1844 OE1 GLN B 27 19.973 10.241 6.659 1.00 0.00 O ATOM 1845 NE2 GLN B 27 20.408 8.052 6.906 1.00 0.00 N ATOM 0 H GLN B 27 16.623 6.838 6.268 1.00 0.00 H new ATOM 0 HA GLN B 27 17.749 8.840 7.863 1.00 0.00 H new ATOM 0 HB2 GLN B 27 16.544 8.811 5.087 1.00 0.00 H new ATOM 0 HB3 GLN B 27 17.245 10.260 5.779 1.00 0.00 H new ATOM 0 HG2 GLN B 27 18.652 7.632 5.215 1.00 0.00 H new ATOM 0 HG3 GLN B 27 18.904 9.165 4.403 1.00 0.00 H new ATOM 0 HE21 GLN B 27 20.183 7.094 6.637 1.00 0.00 H new ATOM 0 HE22 GLN B 27 21.146 8.230 7.588 1.00 0.00 H new ATOM 1854 N ALA B 28 14.531 9.170 7.200 1.00 0.00 N ATOM 1855 CA ALA B 28 13.304 9.830 7.620 1.00 0.00 C ATOM 1856 C ALA B 28 12.979 9.450 9.056 1.00 0.00 C ATOM 1857 O ALA B 28 12.365 10.218 9.796 1.00 0.00 O ATOM 1858 CB ALA B 28 12.153 9.448 6.702 1.00 0.00 C ATOM 0 H ALA B 28 14.402 8.456 6.483 1.00 0.00 H new ATOM 0 HA ALA B 28 13.448 10.909 7.561 1.00 0.00 H new ATOM 0 HB1 ALA B 28 11.243 9.950 7.031 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.386 9.751 5.681 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.004 8.369 6.735 1.00 0.00 H new ATOM 1864 N LEU B 29 13.406 8.251 9.440 1.00 0.00 N ATOM 1865 CA LEU B 29 13.179 7.746 10.786 1.00 0.00 C ATOM 1866 C LEU B 29 13.933 8.585 11.809 1.00 0.00 C ATOM 1867 O LEU B 29 13.341 9.138 12.736 1.00 0.00 O ATOM 1868 CB LEU B 29 13.624 6.293 10.880 1.00 0.00 C ATOM 1869 CG LEU B 29 12.597 5.284 10.378 1.00 0.00 C ATOM 1870 CD1 LEU B 29 13.292 4.088 9.758 1.00 0.00 C ATOM 1871 CD2 LEU B 29 11.683 4.847 11.511 1.00 0.00 C ATOM 0 H LEU B 29 13.914 7.609 8.832 1.00 0.00 H new ATOM 0 HA LEU B 29 12.113 7.810 11.002 1.00 0.00 H new ATOM 0 HB2 LEU B 29 14.544 6.170 10.309 1.00 0.00 H new ATOM 0 HB3 LEU B 29 13.861 6.065 11.919 1.00 0.00 H new ATOM 0 HG LEU B 29 11.986 5.761 9.612 1.00 0.00 H new ATOM 0 HD11 LEU B 29 12.546 3.377 9.404 1.00 0.00 H new ATOM 0 HD12 LEU B 29 13.905 4.418 8.919 1.00 0.00 H new ATOM 0 HD13 LEU B 29 13.926 3.608 10.504 1.00 0.00 H new ATOM 0 HD21 LEU B 29 10.956 4.127 11.135 1.00 0.00 H new ATOM 0 HD22 LEU B 29 12.277 4.385 12.300 1.00 0.00 H new ATOM 0 HD23 LEU B 29 11.160 5.715 11.912 1.00 0.00 H new ATOM 1883 N GLU B 30 15.245 8.674 11.626 1.00 0.00 N ATOM 1884 CA GLU B 30 16.093 9.445 12.525 1.00 0.00 C ATOM 1885 C GLU B 30 15.653 10.904 12.566 1.00 0.00 C ATOM 1886 O GLU B 30 15.735 11.558 13.605 1.00 0.00 O ATOM 1887 CB GLU B 30 17.553 9.347 12.080 1.00 0.00 C ATOM 1888 CG GLU B 30 18.481 8.808 13.155 1.00 0.00 C ATOM 1889 CD GLU B 30 19.538 9.813 13.569 1.00 0.00 C ATOM 1890 OE1 GLU B 30 20.181 10.400 12.674 1.00 0.00 O ATOM 1891 OE2 GLU B 30 19.722 10.013 14.788 1.00 0.00 O ATOM 0 H GLU B 30 15.745 8.220 10.861 1.00 0.00 H new ATOM 0 HA GLU B 30 15.998 9.031 13.529 1.00 0.00 H new ATOM 0 HB2 GLU B 30 17.614 8.703 11.203 1.00 0.00 H new ATOM 0 HB3 GLU B 30 17.898 10.335 11.775 1.00 0.00 H new ATOM 0 HG2 GLU B 30 17.893 8.524 14.028 1.00 0.00 H new ATOM 0 HG3 GLU B 30 18.968 7.904 12.790 1.00 0.00 H new ATOM 1898 N LYS B 31 15.180 11.405 11.429 1.00 0.00 N ATOM 1899 CA LYS B 31 14.721 12.786 11.338 1.00 0.00 C ATOM 1900 C LYS B 31 13.313 12.924 11.907 1.00 0.00 C ATOM 1901 O LYS B 31 12.936 13.983 12.411 1.00 0.00 O ATOM 1902 CB LYS B 31 14.745 13.262 9.885 1.00 0.00 C ATOM 1903 CG LYS B 31 16.078 13.033 9.193 1.00 0.00 C ATOM 1904 CD LYS B 31 17.203 13.782 9.888 1.00 0.00 C ATOM 1905 CE LYS B 31 18.421 13.916 8.990 1.00 0.00 C ATOM 1906 NZ LYS B 31 19.672 13.516 9.691 1.00 0.00 N ATOM 0 H LYS B 31 15.105 10.876 10.560 1.00 0.00 H new ATOM 0 HA LYS B 31 15.397 13.408 11.925 1.00 0.00 H new ATOM 0 HB2 LYS B 31 13.963 12.745 9.329 1.00 0.00 H new ATOM 0 HB3 LYS B 31 14.508 14.325 9.856 1.00 0.00 H new ATOM 0 HG2 LYS B 31 16.304 11.967 9.180 1.00 0.00 H new ATOM 0 HG3 LYS B 31 16.011 13.358 8.155 1.00 0.00 H new ATOM 0 HD2 LYS B 31 16.855 14.773 10.181 1.00 0.00 H new ATOM 0 HD3 LYS B 31 17.480 13.258 10.803 1.00 0.00 H new ATOM 0 HE2 LYS B 31 18.288 13.297 8.103 1.00 0.00 H new ATOM 0 HE3 LYS B 31 18.509 14.948 8.649 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 20.481 13.621 9.045 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 19.813 14.123 10.524 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 19.598 12.524 9.994 1.00 0.00 H new ATOM 1920 N TYR B 32 12.537 11.847 11.824 1.00 0.00 N ATOM 1921 CA TYR B 32 11.168 11.851 12.332 1.00 0.00 C ATOM 1922 C TYR B 32 10.601 10.437 12.399 1.00 0.00 C ATOM 1923 O TYR B 32 10.724 9.661 11.452 1.00 0.00 O ATOM 1924 CB TYR B 32 10.270 12.728 11.452 1.00 0.00 C ATOM 1925 CG TYR B 32 10.984 13.349 10.269 1.00 0.00 C ATOM 1926 CD1 TYR B 32 11.268 12.602 9.132 1.00 0.00 C ATOM 1927 CD2 TYR B 32 11.368 14.684 10.290 1.00 0.00 C ATOM 1928 CE1 TYR B 32 11.916 13.168 8.050 1.00 0.00 C ATOM 1929 CE2 TYR B 32 12.015 15.257 9.212 1.00 0.00 C ATOM 1930 CZ TYR B 32 12.287 14.495 8.095 1.00 0.00 C ATOM 1931 OH TYR B 32 12.931 15.062 7.021 1.00 0.00 O ATOM 0 H TYR B 32 12.832 10.962 11.411 1.00 0.00 H new ATOM 0 HA TYR B 32 11.191 12.262 13.341 1.00 0.00 H new ATOM 0 HB2 TYR B 32 9.438 12.126 11.086 1.00 0.00 H new ATOM 0 HB3 TYR B 32 9.844 13.523 12.064 1.00 0.00 H new ATOM 0 HD1 TYR B 32 10.978 11.562 9.093 1.00 0.00 H new ATOM 0 HD2 TYR B 32 11.157 15.284 11.163 1.00 0.00 H new ATOM 0 HE1 TYR B 32 12.130 12.574 7.174 1.00 0.00 H new ATOM 0 HE2 TYR B 32 12.306 16.296 9.244 1.00 0.00 H new ATOM 0 HH TYR B 32 13.122 16.004 7.214 1.00 0.00 H new ATOM 1941 N ASN B 33 9.973 10.112 13.525 1.00 0.00 N ATOM 1942 CA ASN B 33 9.378 8.794 13.718 1.00 0.00 C ATOM 1943 C ASN B 33 7.887 8.831 13.415 1.00 0.00 C ATOM 1944 O ASN B 33 7.113 8.028 13.936 1.00 0.00 O ATOM 1945 CB ASN B 33 9.607 8.308 15.149 1.00 0.00 C ATOM 1946 CG ASN B 33 9.179 9.333 16.181 1.00 0.00 C ATOM 1947 OD1 ASN B 33 10.030 10.326 16.416 1.00 0.00 O flip ATOM 1948 ND2 ASN B 33 8.096 9.236 16.758 1.00 0.00 N flip ATOM 0 H ASN B 33 9.863 10.744 14.318 1.00 0.00 H new ATOM 0 HA ASN B 33 9.859 8.099 13.029 1.00 0.00 H new ATOM 0 HB2 ASN B 33 9.054 7.382 15.309 1.00 0.00 H new ATOM 0 HB3 ASN B 33 10.663 8.076 15.287 1.00 0.00 H new ATOM 0 HD21 ASN B 33 7.473 8.456 16.546 1.00 0.00 H new ATOM 0 HD22 ASN B 33 7.821 9.935 17.448 1.00 0.00 H new ATOM 1955 N ILE B 34 7.498 9.770 12.564 1.00 0.00 N ATOM 1956 CA ILE B 34 6.101 9.923 12.179 1.00 0.00 C ATOM 1957 C ILE B 34 5.819 9.195 10.871 1.00 0.00 C ATOM 1958 O ILE B 34 6.282 9.609 9.809 1.00 0.00 O ATOM 1959 CB ILE B 34 5.725 11.408 12.018 1.00 0.00 C ATOM 1960 CG1 ILE B 34 6.311 12.233 13.163 1.00 0.00 C ATOM 1961 CG2 ILE B 34 4.214 11.568 11.958 1.00 0.00 C ATOM 1962 CD1 ILE B 34 5.685 11.927 14.502 1.00 0.00 C ATOM 0 H ILE B 34 8.131 10.439 12.126 1.00 0.00 H new ATOM 0 HA ILE B 34 5.497 9.488 12.976 1.00 0.00 H new ATOM 0 HB ILE B 34 6.146 11.775 11.082 1.00 0.00 H new ATOM 0 HG12 ILE B 34 7.384 12.050 13.221 1.00 0.00 H new ATOM 0 HG13 ILE B 34 6.180 13.292 12.942 1.00 0.00 H new ATOM 0 HG21 ILE B 34 3.964 12.623 11.844 1.00 0.00 H new ATOM 0 HG22 ILE B 34 3.822 11.009 11.108 1.00 0.00 H new ATOM 0 HG23 ILE B 34 3.771 11.187 12.878 1.00 0.00 H new ATOM 0 HD11 ILE B 34 6.147 12.547 15.270 1.00 0.00 H new ATOM 0 HD12 ILE B 34 4.616 12.137 14.460 1.00 0.00 H new ATOM 0 HD13 ILE B 34 5.839 10.875 14.744 1.00 0.00 H new ATOM 1974 N GLU B 35 5.062 8.106 10.956 1.00 0.00 N ATOM 1975 CA GLU B 35 4.724 7.314 9.777 1.00 0.00 C ATOM 1976 C GLU B 35 4.670 8.186 8.526 1.00 0.00 C ATOM 1977 O GLU B 35 5.535 8.091 7.659 1.00 0.00 O ATOM 1978 CB GLU B 35 3.385 6.604 9.982 1.00 0.00 C ATOM 1979 CG GLU B 35 3.384 5.633 11.150 1.00 0.00 C ATOM 1980 CD GLU B 35 2.326 5.967 12.184 1.00 0.00 C ATOM 1981 OE1 GLU B 35 1.132 5.722 11.913 1.00 0.00 O ATOM 1982 OE2 GLU B 35 2.692 6.474 13.266 1.00 0.00 O ATOM 0 H GLU B 35 4.671 7.751 11.829 1.00 0.00 H new ATOM 0 HA GLU B 35 5.505 6.567 9.637 1.00 0.00 H new ATOM 0 HB2 GLU B 35 2.608 7.351 10.141 1.00 0.00 H new ATOM 0 HB3 GLU B 35 3.126 6.064 9.071 1.00 0.00 H new ATOM 0 HG2 GLU B 35 3.217 4.622 10.778 1.00 0.00 H new ATOM 0 HG3 GLU B 35 4.365 5.640 11.624 1.00 0.00 H new ATOM 1989 N LYS B 36 3.657 9.041 8.435 1.00 0.00 N ATOM 1990 CA LYS B 36 3.513 9.923 7.282 1.00 0.00 C ATOM 1991 C LYS B 36 4.816 10.667 7.011 1.00 0.00 C ATOM 1992 O LYS B 36 5.372 10.590 5.916 1.00 0.00 O ATOM 1993 CB LYS B 36 2.377 10.923 7.507 1.00 0.00 C ATOM 1994 CG LYS B 36 1.880 10.969 8.942 1.00 0.00 C ATOM 1995 CD LYS B 36 0.444 11.457 9.018 1.00 0.00 C ATOM 1996 CE LYS B 36 -0.472 10.396 9.604 1.00 0.00 C ATOM 1997 NZ LYS B 36 -1.228 10.902 10.783 1.00 0.00 N ATOM 0 H LYS B 36 2.928 9.142 9.141 1.00 0.00 H new ATOM 0 HA LYS B 36 3.272 9.309 6.414 1.00 0.00 H new ATOM 0 HB2 LYS B 36 2.717 11.917 7.217 1.00 0.00 H new ATOM 0 HB3 LYS B 36 1.545 10.667 6.851 1.00 0.00 H new ATOM 0 HG2 LYS B 36 1.952 9.976 9.385 1.00 0.00 H new ATOM 0 HG3 LYS B 36 2.521 11.627 9.529 1.00 0.00 H new ATOM 0 HD2 LYS B 36 0.396 12.359 9.629 1.00 0.00 H new ATOM 0 HD3 LYS B 36 0.097 11.729 8.021 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -1.173 10.060 8.840 1.00 0.00 H new ATOM 0 HE3 LYS B 36 0.119 9.528 9.897 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -1.841 10.147 11.152 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -0.560 11.199 11.523 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -1.812 11.714 10.498 1.00 0.00 H new ATOM 2011 N ASP B 37 5.301 11.385 8.020 1.00 0.00 N ATOM 2012 CA ASP B 37 6.542 12.140 7.892 1.00 0.00 C ATOM 2013 C ASP B 37 7.607 11.304 7.190 1.00 0.00 C ATOM 2014 O ASP B 37 8.048 11.640 6.090 1.00 0.00 O ATOM 2015 CB ASP B 37 7.040 12.577 9.271 1.00 0.00 C ATOM 2016 CG ASP B 37 7.468 14.032 9.300 1.00 0.00 C ATOM 2017 OD1 ASP B 37 7.255 14.735 8.289 1.00 0.00 O ATOM 2018 OD2 ASP B 37 8.017 14.469 10.334 1.00 0.00 O ATOM 0 H ASP B 37 4.854 11.459 8.934 1.00 0.00 H new ATOM 0 HA ASP B 37 6.345 13.027 7.290 1.00 0.00 H new ATOM 0 HB2 ASP B 37 6.250 12.419 10.006 1.00 0.00 H new ATOM 0 HB3 ASP B 37 7.880 11.949 9.566 1.00 0.00 H new ATOM 2023 N ILE B 38 8.010 10.209 7.827 1.00 0.00 N ATOM 2024 CA ILE B 38 9.016 9.322 7.257 1.00 0.00 C ATOM 2025 C ILE B 38 8.723 9.051 5.786 1.00 0.00 C ATOM 2026 O ILE B 38 9.583 9.242 4.926 1.00 0.00 O ATOM 2027 CB ILE B 38 9.080 7.982 8.016 1.00 0.00 C ATOM 2028 CG1 ILE B 38 9.261 8.227 9.514 1.00 0.00 C ATOM 2029 CG2 ILE B 38 10.212 7.119 7.478 1.00 0.00 C ATOM 2030 CD1 ILE B 38 8.524 7.231 10.381 1.00 0.00 C ATOM 0 H ILE B 38 7.655 9.916 8.737 1.00 0.00 H new ATOM 0 HA ILE B 38 9.979 9.824 7.350 1.00 0.00 H new ATOM 0 HB ILE B 38 8.140 7.452 7.863 1.00 0.00 H new ATOM 0 HG12 ILE B 38 10.323 8.190 9.754 1.00 0.00 H new ATOM 0 HG13 ILE B 38 8.915 9.232 9.754 1.00 0.00 H new ATOM 0 HG21 ILE B 38 10.243 6.177 8.025 1.00 0.00 H new ATOM 0 HG22 ILE B 38 10.045 6.919 6.420 1.00 0.00 H new ATOM 0 HG23 ILE B 38 11.160 7.642 7.603 1.00 0.00 H new ATOM 0 HD11 ILE B 38 8.697 7.465 11.431 1.00 0.00 H new ATOM 0 HD12 ILE B 38 7.456 7.284 10.169 1.00 0.00 H new ATOM 0 HD13 ILE B 38 8.887 6.225 10.169 1.00 0.00 H new ATOM 2042 N ALA B 39 7.500 8.611 5.502 1.00 0.00 N ATOM 2043 CA ALA B 39 7.093 8.323 4.133 1.00 0.00 C ATOM 2044 C ALA B 39 7.399 9.506 3.221 1.00 0.00 C ATOM 2045 O ALA B 39 7.831 9.331 2.083 1.00 0.00 O ATOM 2046 CB ALA B 39 5.611 7.981 4.083 1.00 0.00 C ATOM 0 H ALA B 39 6.776 8.447 6.201 1.00 0.00 H new ATOM 0 HA ALA B 39 7.660 7.463 3.778 1.00 0.00 H new ATOM 0 HB1 ALA B 39 5.321 7.768 3.054 1.00 0.00 H new ATOM 0 HB2 ALA B 39 5.419 7.105 4.703 1.00 0.00 H new ATOM 0 HB3 ALA B 39 5.030 8.824 4.456 1.00 0.00 H new ATOM 2052 N ALA B 40 7.179 10.712 3.738 1.00 0.00 N ATOM 2053 CA ALA B 40 7.438 11.929 2.977 1.00 0.00 C ATOM 2054 C ALA B 40 8.931 12.094 2.723 1.00 0.00 C ATOM 2055 O ALA B 40 9.385 12.073 1.578 1.00 0.00 O ATOM 2056 CB ALA B 40 6.890 13.139 3.720 1.00 0.00 C ATOM 0 H ALA B 40 6.822 10.872 4.680 1.00 0.00 H new ATOM 0 HA ALA B 40 6.933 11.850 2.014 1.00 0.00 H new ATOM 0 HB1 ALA B 40 7.089 14.042 3.142 1.00 0.00 H new ATOM 0 HB2 ALA B 40 5.815 13.026 3.857 1.00 0.00 H new ATOM 0 HB3 ALA B 40 7.373 13.217 4.694 1.00 0.00 H new ATOM 2062 N HIS B 41 9.689 12.251 3.801 1.00 0.00 N ATOM 2063 CA HIS B 41 11.134 12.413 3.711 1.00 0.00 C ATOM 2064 C HIS B 41 11.720 11.435 2.695 1.00 0.00 C ATOM 2065 O HIS B 41 12.527 11.814 1.846 1.00 0.00 O ATOM 2066 CB HIS B 41 11.767 12.197 5.092 1.00 0.00 C ATOM 2067 CG HIS B 41 13.223 11.830 5.059 1.00 0.00 C ATOM 2068 ND1 HIS B 41 14.186 12.511 5.775 1.00 0.00 N ATOM 2069 CD2 HIS B 41 13.877 10.840 4.403 1.00 0.00 C ATOM 2070 CE1 HIS B 41 15.366 11.959 5.559 1.00 0.00 C ATOM 2071 NE2 HIS B 41 15.206 10.944 4.732 1.00 0.00 N ATOM 0 H HIS B 41 9.324 12.270 4.753 1.00 0.00 H new ATOM 0 HA HIS B 41 11.356 13.426 3.375 1.00 0.00 H new ATOM 0 HB2 HIS B 41 11.648 13.108 5.679 1.00 0.00 H new ATOM 0 HB3 HIS B 41 11.219 11.410 5.610 1.00 0.00 H new ATOM 0 HD1 HIS B 41 14.013 13.316 6.377 1.00 0.00 H new ATOM 0 HD2 HIS B 41 13.435 10.107 3.745 1.00 0.00 H new ATOM 0 HE1 HIS B 41 16.303 12.284 5.987 1.00 0.00 H new ATOM 2080 N ILE B 42 11.310 10.175 2.794 1.00 0.00 N ATOM 2081 CA ILE B 42 11.796 9.140 1.890 1.00 0.00 C ATOM 2082 C ILE B 42 11.422 9.444 0.445 1.00 0.00 C ATOM 2083 O ILE B 42 12.282 9.768 -0.371 1.00 0.00 O ATOM 2084 CB ILE B 42 11.236 7.755 2.267 1.00 0.00 C ATOM 2085 CG1 ILE B 42 11.520 7.446 3.739 1.00 0.00 C ATOM 2086 CG2 ILE B 42 11.828 6.680 1.369 1.00 0.00 C ATOM 2087 CD1 ILE B 42 10.638 6.356 4.309 1.00 0.00 C ATOM 0 H ILE B 42 10.642 9.846 3.491 1.00 0.00 H new ATOM 0 HA ILE B 42 12.882 9.128 1.986 1.00 0.00 H new ATOM 0 HB ILE B 42 10.156 7.766 2.121 1.00 0.00 H new ATOM 0 HG12 ILE B 42 12.564 7.150 3.845 1.00 0.00 H new ATOM 0 HG13 ILE B 42 11.385 8.355 4.325 1.00 0.00 H new ATOM 0 HG21 ILE B 42 11.422 5.708 1.649 1.00 0.00 H new ATOM 0 HG22 ILE B 42 11.575 6.894 0.330 1.00 0.00 H new ATOM 0 HG23 ILE B 42 12.912 6.667 1.483 1.00 0.00 H new ATOM 0 HD11 ILE B 42 10.895 6.190 5.355 1.00 0.00 H new ATOM 0 HD12 ILE B 42 9.593 6.658 4.235 1.00 0.00 H new ATOM 0 HD13 ILE B 42 10.790 5.434 3.748 1.00 0.00 H new ATOM 2099 N LYS B 43 10.136 9.332 0.134 1.00 0.00 N ATOM 2100 CA LYS B 43 9.654 9.592 -1.218 1.00 0.00 C ATOM 2101 C LYS B 43 10.421 10.742 -1.864 1.00 0.00 C ATOM 2102 O LYS B 43 11.039 10.576 -2.916 1.00 0.00 O ATOM 2103 CB LYS B 43 8.158 9.909 -1.198 1.00 0.00 C ATOM 2104 CG LYS B 43 7.509 9.861 -2.572 1.00 0.00 C ATOM 2105 CD LYS B 43 6.692 11.112 -2.847 1.00 0.00 C ATOM 2106 CE LYS B 43 6.428 11.288 -4.334 1.00 0.00 C ATOM 2107 NZ LYS B 43 6.738 12.670 -4.791 1.00 0.00 N ATOM 0 H LYS B 43 9.409 9.064 0.798 1.00 0.00 H new ATOM 0 HA LYS B 43 9.821 8.693 -1.811 1.00 0.00 H new ATOM 0 HB2 LYS B 43 7.653 9.200 -0.542 1.00 0.00 H new ATOM 0 HB3 LYS B 43 8.011 10.900 -0.770 1.00 0.00 H new ATOM 0 HG2 LYS B 43 8.279 9.753 -3.336 1.00 0.00 H new ATOM 0 HG3 LYS B 43 6.866 8.983 -2.641 1.00 0.00 H new ATOM 0 HD2 LYS B 43 5.744 11.054 -2.312 1.00 0.00 H new ATOM 0 HD3 LYS B 43 7.221 11.985 -2.464 1.00 0.00 H new ATOM 0 HE2 LYS B 43 7.031 10.575 -4.897 1.00 0.00 H new ATOM 0 HE3 LYS B 43 5.384 11.060 -4.547 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 6.301 12.834 -5.720 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 6.361 13.355 -4.105 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 7.769 12.788 -4.867 1.00 0.00 H new ATOM 2121 N LYS B 44 10.369 11.908 -1.230 1.00 0.00 N ATOM 2122 CA LYS B 44 11.050 13.093 -1.742 1.00 0.00 C ATOM 2123 C LYS B 44 12.517 12.806 -2.053 1.00 0.00 C ATOM 2124 O LYS B 44 13.042 13.251 -3.073 1.00 0.00 O ATOM 2125 CB LYS B 44 10.947 14.237 -0.731 1.00 0.00 C ATOM 2126 CG LYS B 44 10.837 15.611 -1.372 1.00 0.00 C ATOM 2127 CD LYS B 44 11.343 16.701 -0.441 1.00 0.00 C ATOM 2128 CE LYS B 44 10.292 17.777 -0.221 1.00 0.00 C ATOM 2129 NZ LYS B 44 9.759 18.304 -1.506 1.00 0.00 N ATOM 0 H LYS B 44 9.861 12.059 -0.358 1.00 0.00 H new ATOM 0 HA LYS B 44 10.559 13.383 -2.671 1.00 0.00 H new ATOM 0 HB2 LYS B 44 10.077 14.071 -0.096 1.00 0.00 H new ATOM 0 HB3 LYS B 44 11.823 14.217 -0.083 1.00 0.00 H new ATOM 0 HG2 LYS B 44 11.410 15.628 -2.299 1.00 0.00 H new ATOM 0 HG3 LYS B 44 9.798 15.809 -1.635 1.00 0.00 H new ATOM 0 HD2 LYS B 44 11.622 16.262 0.517 1.00 0.00 H new ATOM 0 HD3 LYS B 44 12.243 17.150 -0.860 1.00 0.00 H new ATOM 0 HE2 LYS B 44 9.473 17.369 0.371 1.00 0.00 H new ATOM 0 HE3 LYS B 44 10.725 18.595 0.355 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 9.475 19.297 -1.383 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 10.495 18.243 -2.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 8.934 17.741 -1.797 1.00 0.00 H new ATOM 2143 N GLU B 45 13.176 12.070 -1.166 1.00 0.00 N ATOM 2144 CA GLU B 45 14.586 11.741 -1.351 1.00 0.00 C ATOM 2145 C GLU B 45 14.780 10.748 -2.495 1.00 0.00 C ATOM 2146 O GLU B 45 15.699 10.890 -3.299 1.00 0.00 O ATOM 2147 CB GLU B 45 15.173 11.172 -0.059 1.00 0.00 C ATOM 2148 CG GLU B 45 16.329 11.992 0.494 1.00 0.00 C ATOM 2149 CD GLU B 45 17.504 11.134 0.921 1.00 0.00 C ATOM 2150 OE1 GLU B 45 17.329 10.301 1.835 1.00 0.00 O ATOM 2151 OE2 GLU B 45 18.599 11.296 0.342 1.00 0.00 O ATOM 0 H GLU B 45 12.760 11.691 -0.315 1.00 0.00 H new ATOM 0 HA GLU B 45 15.111 12.661 -1.608 1.00 0.00 H new ATOM 0 HB2 GLU B 45 14.387 11.114 0.693 1.00 0.00 H new ATOM 0 HB3 GLU B 45 15.515 10.153 -0.242 1.00 0.00 H new ATOM 0 HG2 GLU B 45 16.660 12.703 -0.263 1.00 0.00 H new ATOM 0 HG3 GLU B 45 15.981 12.574 1.347 1.00 0.00 H new ATOM 2158 N PHE B 46 13.911 9.747 -2.559 1.00 0.00 N ATOM 2159 CA PHE B 46 13.991 8.732 -3.604 1.00 0.00 C ATOM 2160 C PHE B 46 13.772 9.346 -4.979 1.00 0.00 C ATOM 2161 O PHE B 46 14.384 8.927 -5.962 1.00 0.00 O ATOM 2162 CB PHE B 46 12.957 7.637 -3.356 1.00 0.00 C ATOM 2163 CG PHE B 46 13.567 6.318 -2.992 1.00 0.00 C ATOM 2164 CD1 PHE B 46 14.289 6.178 -1.819 1.00 0.00 C ATOM 2165 CD2 PHE B 46 13.420 5.217 -3.821 1.00 0.00 C ATOM 2166 CE1 PHE B 46 14.855 4.967 -1.479 1.00 0.00 C ATOM 2167 CE2 PHE B 46 13.984 4.001 -3.486 1.00 0.00 C ATOM 2168 CZ PHE B 46 14.702 3.876 -2.312 1.00 0.00 C ATOM 0 H PHE B 46 13.143 9.616 -1.901 1.00 0.00 H new ATOM 0 HA PHE B 46 14.990 8.297 -3.576 1.00 0.00 H new ATOM 0 HB2 PHE B 46 12.288 7.953 -2.556 1.00 0.00 H new ATOM 0 HB3 PHE B 46 12.347 7.513 -4.251 1.00 0.00 H new ATOM 0 HD1 PHE B 46 14.410 7.027 -1.163 1.00 0.00 H new ATOM 0 HD2 PHE B 46 12.858 5.311 -4.739 1.00 0.00 H new ATOM 0 HE1 PHE B 46 15.417 4.872 -0.562 1.00 0.00 H new ATOM 0 HE2 PHE B 46 13.864 3.150 -4.140 1.00 0.00 H new ATOM 0 HZ PHE B 46 15.143 2.927 -2.046 1.00 0.00 H new ATOM 2178 N ASP B 47 12.893 10.338 -5.043 1.00 0.00 N ATOM 2179 CA ASP B 47 12.591 11.005 -6.300 1.00 0.00 C ATOM 2180 C ASP B 47 13.786 11.822 -6.777 1.00 0.00 C ATOM 2181 O ASP B 47 14.164 11.764 -7.947 1.00 0.00 O ATOM 2182 CB ASP B 47 11.367 11.910 -6.140 1.00 0.00 C ATOM 2183 CG ASP B 47 11.742 13.353 -5.864 1.00 0.00 C ATOM 2184 OD1 ASP B 47 12.258 14.019 -6.788 1.00 0.00 O ATOM 2185 OD2 ASP B 47 11.519 13.818 -4.727 1.00 0.00 O ATOM 0 H ASP B 47 12.378 10.697 -4.239 1.00 0.00 H new ATOM 0 HA ASP B 47 12.372 10.243 -7.048 1.00 0.00 H new ATOM 0 HB2 ASP B 47 10.763 11.862 -7.046 1.00 0.00 H new ATOM 0 HB3 ASP B 47 10.748 11.537 -5.324 1.00 0.00 H new ATOM 2190 N LYS B 48 14.374 12.584 -5.863 1.00 0.00 N ATOM 2191 CA LYS B 48 15.524 13.415 -6.193 1.00 0.00 C ATOM 2192 C LYS B 48 16.802 12.585 -6.267 1.00 0.00 C ATOM 2193 O LYS B 48 17.754 12.957 -6.953 1.00 0.00 O ATOM 2194 CB LYS B 48 15.683 14.527 -5.158 1.00 0.00 C ATOM 2195 CG LYS B 48 15.205 15.883 -5.646 1.00 0.00 C ATOM 2196 CD LYS B 48 16.347 16.884 -5.714 1.00 0.00 C ATOM 2197 CE LYS B 48 17.320 16.543 -6.831 1.00 0.00 C ATOM 2198 NZ LYS B 48 16.630 15.953 -8.011 1.00 0.00 N ATOM 0 H LYS B 48 14.074 12.643 -4.890 1.00 0.00 H new ATOM 0 HA LYS B 48 15.349 13.858 -7.174 1.00 0.00 H new ATOM 0 HB2 LYS B 48 15.129 14.257 -4.259 1.00 0.00 H new ATOM 0 HB3 LYS B 48 16.733 14.601 -4.875 1.00 0.00 H new ATOM 0 HG2 LYS B 48 14.753 15.777 -6.632 1.00 0.00 H new ATOM 0 HG3 LYS B 48 14.430 16.259 -4.978 1.00 0.00 H new ATOM 0 HD2 LYS B 48 15.946 17.885 -5.872 1.00 0.00 H new ATOM 0 HD3 LYS B 48 16.876 16.900 -4.761 1.00 0.00 H new ATOM 0 HE2 LYS B 48 17.853 17.444 -7.136 1.00 0.00 H new ATOM 0 HE3 LYS B 48 18.067 15.841 -6.460 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 17.084 16.291 -8.883 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 16.693 14.916 -7.967 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 15.630 16.240 -8.008 1.00 0.00 H new ATOM 2212 N LYS B 49 16.819 11.464 -5.557 1.00 0.00 N ATOM 2213 CA LYS B 49 17.984 10.587 -5.543 1.00 0.00 C ATOM 2214 C LYS B 49 17.903 9.548 -6.656 1.00 0.00 C ATOM 2215 O LYS B 49 18.904 8.922 -7.005 1.00 0.00 O ATOM 2216 CB LYS B 49 18.110 9.890 -4.188 1.00 0.00 C ATOM 2217 CG LYS B 49 19.500 9.989 -3.581 1.00 0.00 C ATOM 2218 CD LYS B 49 19.676 9.011 -2.432 1.00 0.00 C ATOM 2219 CE LYS B 49 20.615 7.875 -2.804 1.00 0.00 C ATOM 2220 NZ LYS B 49 20.722 6.862 -1.718 1.00 0.00 N ATOM 0 H LYS B 49 16.040 11.140 -4.984 1.00 0.00 H new ATOM 0 HA LYS B 49 18.868 11.202 -5.711 1.00 0.00 H new ATOM 0 HB2 LYS B 49 17.389 10.325 -3.496 1.00 0.00 H new ATOM 0 HB3 LYS B 49 17.847 8.839 -4.304 1.00 0.00 H new ATOM 0 HG2 LYS B 49 20.248 9.789 -4.348 1.00 0.00 H new ATOM 0 HG3 LYS B 49 19.671 11.005 -3.225 1.00 0.00 H new ATOM 0 HD2 LYS B 49 20.068 9.538 -1.562 1.00 0.00 H new ATOM 0 HD3 LYS B 49 18.706 8.604 -2.148 1.00 0.00 H new ATOM 0 HE2 LYS B 49 20.259 7.394 -3.715 1.00 0.00 H new ATOM 0 HE3 LYS B 49 21.604 8.279 -3.022 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 21.372 6.105 -2.012 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 21.086 7.315 -0.855 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 19.783 6.458 -1.527 1.00 0.00 H new ATOM 2234 N TYR B 50 16.708 9.363 -7.207 1.00 0.00 N ATOM 2235 CA TYR B 50 16.509 8.391 -8.275 1.00 0.00 C ATOM 2236 C TYR B 50 15.859 9.032 -9.500 1.00 0.00 C ATOM 2237 O TYR B 50 16.512 9.219 -10.526 1.00 0.00 O ATOM 2238 CB TYR B 50 15.652 7.224 -7.776 1.00 0.00 C ATOM 2239 CG TYR B 50 16.300 6.431 -6.660 1.00 0.00 C ATOM 2240 CD1 TYR B 50 17.513 5.783 -6.856 1.00 0.00 C ATOM 2241 CD2 TYR B 50 15.700 6.336 -5.411 1.00 0.00 C ATOM 2242 CE1 TYR B 50 18.108 5.059 -5.840 1.00 0.00 C ATOM 2243 CE2 TYR B 50 16.290 5.614 -4.390 1.00 0.00 C ATOM 2244 CZ TYR B 50 17.492 4.979 -4.609 1.00 0.00 C ATOM 2245 OH TYR B 50 18.080 4.260 -3.593 1.00 0.00 O ATOM 0 H TYR B 50 15.867 9.871 -6.933 1.00 0.00 H new ATOM 0 HA TYR B 50 17.489 8.016 -8.571 1.00 0.00 H new ATOM 0 HB2 TYR B 50 14.694 7.610 -7.427 1.00 0.00 H new ATOM 0 HB3 TYR B 50 15.441 6.556 -8.611 1.00 0.00 H new ATOM 0 HD1 TYR B 50 17.999 5.846 -7.818 1.00 0.00 H new ATOM 0 HD2 TYR B 50 14.758 6.834 -5.235 1.00 0.00 H new ATOM 0 HE1 TYR B 50 19.050 4.559 -6.009 1.00 0.00 H new ATOM 0 HE2 TYR B 50 15.810 5.548 -3.425 1.00 0.00 H new ATOM 0 HH TYR B 50 18.898 3.834 -3.925 1.00 0.00 H new ATOM 2255 N ASN B 51 14.574 9.359 -9.387 1.00 0.00 N ATOM 2256 CA ASN B 51 13.833 9.970 -10.484 1.00 0.00 C ATOM 2257 C ASN B 51 12.336 9.782 -10.267 1.00 0.00 C ATOM 2258 O ASN B 51 11.818 8.673 -10.392 1.00 0.00 O ATOM 2259 CB ASN B 51 14.242 9.353 -11.823 1.00 0.00 C ATOM 2260 CG ASN B 51 13.694 10.125 -13.009 1.00 0.00 C ATOM 2261 OD1 ASN B 51 13.918 11.328 -13.138 1.00 0.00 O ATOM 2262 ND2 ASN B 51 12.970 9.435 -13.884 1.00 0.00 N ATOM 0 H ASN B 51 14.023 9.209 -8.542 1.00 0.00 H new ATOM 0 HA ASN B 51 14.066 11.035 -10.506 1.00 0.00 H new ATOM 0 HB2 ASN B 51 15.330 9.319 -11.887 1.00 0.00 H new ATOM 0 HB3 ASN B 51 13.888 8.323 -11.868 1.00 0.00 H new ATOM 0 HD21 ASN B 51 12.576 9.902 -14.701 1.00 0.00 H new ATOM 0 HD22 ASN B 51 12.808 8.438 -13.739 1.00 0.00 H new ATOM 2269 N PRO B 52 11.614 10.863 -9.932 1.00 0.00 N ATOM 2270 CA PRO B 52 10.179 10.804 -9.695 1.00 0.00 C ATOM 2271 C PRO B 52 9.471 9.795 -10.608 1.00 0.00 C ATOM 2272 O PRO B 52 9.986 9.458 -11.674 1.00 0.00 O ATOM 2273 CB PRO B 52 9.738 12.225 -10.007 1.00 0.00 C ATOM 2274 CG PRO B 52 10.893 13.077 -9.597 1.00 0.00 C ATOM 2275 CD PRO B 52 12.136 12.232 -9.757 1.00 0.00 C ATOM 0 HA PRO B 52 9.934 10.472 -8.686 1.00 0.00 H new ATOM 0 HB2 PRO B 52 9.512 12.346 -11.066 1.00 0.00 H new ATOM 0 HB3 PRO B 52 8.835 12.490 -9.457 1.00 0.00 H new ATOM 0 HG2 PRO B 52 10.952 13.973 -10.216 1.00 0.00 H new ATOM 0 HG3 PRO B 52 10.781 13.409 -8.565 1.00 0.00 H new ATOM 0 HD2 PRO B 52 12.726 12.548 -10.618 1.00 0.00 H new ATOM 0 HD3 PRO B 52 12.783 12.304 -8.883 1.00 0.00 H new ATOM 2283 N THR B 53 8.289 9.310 -10.196 1.00 0.00 N ATOM 2284 CA THR B 53 7.668 9.704 -8.932 1.00 0.00 C ATOM 2285 C THR B 53 7.426 8.487 -8.052 1.00 0.00 C ATOM 2286 O THR B 53 6.714 7.560 -8.439 1.00 0.00 O ATOM 2287 CB THR B 53 6.351 10.438 -9.187 1.00 0.00 C ATOM 2288 OG1 THR B 53 6.278 10.886 -10.528 1.00 0.00 O ATOM 2289 CG2 THR B 53 6.155 11.640 -8.290 1.00 0.00 C ATOM 0 H THR B 53 7.742 8.636 -10.732 1.00 0.00 H new ATOM 0 HA THR B 53 8.350 10.379 -8.414 1.00 0.00 H new ATOM 0 HB THR B 53 5.568 9.711 -8.971 1.00 0.00 H new ATOM 0 HG1 THR B 53 5.693 10.290 -11.041 1.00 0.00 H new ATOM 0 HG21 THR B 53 5.202 12.116 -8.522 1.00 0.00 H new ATOM 0 HG22 THR B 53 6.157 11.320 -7.248 1.00 0.00 H new ATOM 0 HG23 THR B 53 6.965 12.351 -8.453 1.00 0.00 H new ATOM 2297 N TRP B 54 8.030 8.492 -6.873 1.00 0.00 N ATOM 2298 CA TRP B 54 7.887 7.384 -5.942 1.00 0.00 C ATOM 2299 C TRP B 54 6.682 7.574 -5.029 1.00 0.00 C ATOM 2300 O TRP B 54 6.243 8.696 -4.775 1.00 0.00 O ATOM 2301 CB TRP B 54 9.153 7.229 -5.096 1.00 0.00 C ATOM 2302 CG TRP B 54 10.397 7.064 -5.912 1.00 0.00 C ATOM 2303 CD1 TRP B 54 11.017 8.021 -6.662 1.00 0.00 C ATOM 2304 CD2 TRP B 54 11.173 5.869 -6.063 1.00 0.00 C ATOM 2305 NE1 TRP B 54 12.132 7.497 -7.267 1.00 0.00 N ATOM 2306 CE2 TRP B 54 12.250 6.177 -6.915 1.00 0.00 C ATOM 2307 CE3 TRP B 54 11.065 4.571 -5.557 1.00 0.00 C ATOM 2308 CZ2 TRP B 54 13.210 5.234 -7.274 1.00 0.00 C ATOM 2309 CZ3 TRP B 54 12.018 3.634 -5.914 1.00 0.00 C ATOM 2310 CH2 TRP B 54 13.079 3.970 -6.765 1.00 0.00 C ATOM 0 H TRP B 54 8.624 9.251 -6.539 1.00 0.00 H new ATOM 0 HA TRP B 54 7.732 6.480 -6.531 1.00 0.00 H new ATOM 0 HB2 TRP B 54 9.262 8.103 -4.454 1.00 0.00 H new ATOM 0 HB3 TRP B 54 9.040 6.365 -4.441 1.00 0.00 H new ATOM 0 HD1 TRP B 54 10.679 9.042 -6.764 1.00 0.00 H new ATOM 0 HE1 TRP B 54 12.769 8.007 -7.879 1.00 0.00 H new ATOM 0 HE3 TRP B 54 10.252 4.304 -4.899 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 14.028 5.491 -7.930 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 11.943 2.627 -5.531 1.00 0.00 H new ATOM 0 HH2 TRP B 54 13.808 3.217 -7.025 1.00 0.00 H new ATOM 2321 N HIS B 55 6.170 6.459 -4.529 1.00 0.00 N ATOM 2322 CA HIS B 55 5.028 6.460 -3.625 1.00 0.00 C ATOM 2323 C HIS B 55 5.303 5.493 -2.483 1.00 0.00 C ATOM 2324 O HIS B 55 5.168 4.279 -2.638 1.00 0.00 O ATOM 2325 CB HIS B 55 3.755 6.061 -4.371 1.00 0.00 C ATOM 2326 CG HIS B 55 3.570 6.792 -5.665 1.00 0.00 C ATOM 2327 ND1 HIS B 55 4.385 6.907 -6.740 1.00 0.00 N flip ATOM 2328 CD2 HIS B 55 2.436 7.517 -5.967 1.00 0.00 C flip ATOM 2329 CE1 HIS B 55 3.736 7.690 -7.662 1.00 0.00 C flip ATOM 2330 NE2 HIS B 55 2.563 8.045 -7.173 1.00 0.00 N flip ATOM 0 H HIS B 55 6.533 5.529 -4.738 1.00 0.00 H new ATOM 0 HA HIS B 55 4.880 7.463 -3.225 1.00 0.00 H new ATOM 0 HB2 HIS B 55 3.779 4.989 -4.568 1.00 0.00 H new ATOM 0 HB3 HIS B 55 2.893 6.248 -3.730 1.00 0.00 H new ATOM 0 HD2 HIS B 55 1.579 7.635 -5.320 1.00 0.00 H new ATOM 0 HE1 HIS B 55 4.123 7.970 -8.631 1.00 0.00 H new ATOM 0 HE2 HIS B 55 1.872 8.628 -7.645 1.00 0.00 H new ATOM 2339 N CYS B 56 5.732 6.034 -1.349 1.00 0.00 N ATOM 2340 CA CYS B 56 6.074 5.205 -0.200 1.00 0.00 C ATOM 2341 C CYS B 56 5.055 5.312 0.929 1.00 0.00 C ATOM 2342 O CYS B 56 4.408 6.342 1.115 1.00 0.00 O ATOM 2343 CB CYS B 56 7.457 5.589 0.324 1.00 0.00 C ATOM 2344 SG CYS B 56 8.613 6.119 -0.962 1.00 0.00 S ATOM 0 H CYS B 56 5.851 7.036 -1.201 1.00 0.00 H new ATOM 0 HA CYS B 56 6.072 4.170 -0.543 1.00 0.00 H new ATOM 0 HB2 CYS B 56 7.347 6.392 1.053 1.00 0.00 H new ATOM 0 HB3 CYS B 56 7.883 4.736 0.852 1.00 0.00 H new ATOM 0 HG CYS B 56 8.132 7.159 -1.576 1.00 0.00 H new ATOM 2350 N ILE B 57 4.948 4.230 1.696 1.00 0.00 N ATOM 2351 CA ILE B 57 4.047 4.164 2.838 1.00 0.00 C ATOM 2352 C ILE B 57 4.768 3.534 4.023 1.00 0.00 C ATOM 2353 O ILE B 57 5.045 2.335 4.025 1.00 0.00 O ATOM 2354 CB ILE B 57 2.779 3.344 2.527 1.00 0.00 C ATOM 2355 CG1 ILE B 57 2.146 3.805 1.209 1.00 0.00 C ATOM 2356 CG2 ILE B 57 1.784 3.456 3.675 1.00 0.00 C ATOM 2357 CD1 ILE B 57 1.976 5.306 1.099 1.00 0.00 C ATOM 0 H ILE B 57 5.484 3.376 1.542 1.00 0.00 H new ATOM 0 HA ILE B 57 3.742 5.183 3.074 1.00 0.00 H new ATOM 0 HB ILE B 57 3.061 2.297 2.416 1.00 0.00 H new ATOM 0 HG12 ILE B 57 2.763 3.458 0.380 1.00 0.00 H new ATOM 0 HG13 ILE B 57 1.171 3.330 1.101 1.00 0.00 H new ATOM 0 HG21 ILE B 57 0.893 2.872 3.443 1.00 0.00 H new ATOM 0 HG22 ILE B 57 2.239 3.075 4.589 1.00 0.00 H new ATOM 0 HG23 ILE B 57 1.507 4.501 3.816 1.00 0.00 H new ATOM 0 HD11 ILE B 57 1.522 5.551 0.139 1.00 0.00 H new ATOM 0 HD12 ILE B 57 1.333 5.659 1.905 1.00 0.00 H new ATOM 0 HD13 ILE B 57 2.950 5.789 1.174 1.00 0.00 H new ATOM 2369 N VAL B 58 5.088 4.349 5.020 1.00 0.00 N ATOM 2370 CA VAL B 58 5.799 3.864 6.196 1.00 0.00 C ATOM 2371 C VAL B 58 4.912 3.881 7.435 1.00 0.00 C ATOM 2372 O VAL B 58 4.338 4.909 7.791 1.00 0.00 O ATOM 2373 CB VAL B 58 7.068 4.695 6.464 1.00 0.00 C ATOM 2374 CG1 VAL B 58 6.759 6.178 6.364 1.00 0.00 C ATOM 2375 CG2 VAL B 58 7.666 4.355 7.821 1.00 0.00 C ATOM 0 H VAL B 58 4.868 5.345 5.038 1.00 0.00 H new ATOM 0 HA VAL B 58 6.086 2.834 5.986 1.00 0.00 H new ATOM 0 HB VAL B 58 7.808 4.446 5.703 1.00 0.00 H new ATOM 0 HG11 VAL B 58 7.665 6.752 6.556 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.390 6.406 5.364 1.00 0.00 H new ATOM 0 HG13 VAL B 58 6.000 6.442 7.100 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.561 4.956 7.985 1.00 0.00 H new ATOM 0 HG22 VAL B 58 6.937 4.568 8.603 1.00 0.00 H new ATOM 0 HG23 VAL B 58 7.929 3.298 7.848 1.00 0.00 H new ATOM 2385 N GLY B 59 4.813 2.729 8.089 1.00 0.00 N ATOM 2386 CA GLY B 59 4.004 2.618 9.286 1.00 0.00 C ATOM 2387 C GLY B 59 4.586 1.635 10.281 1.00 0.00 C ATOM 2388 O GLY B 59 5.463 1.985 11.069 1.00 0.00 O ATOM 0 H GLY B 59 5.281 1.867 7.809 1.00 0.00 H new ATOM 0 HA2 GLY B 59 3.916 3.598 9.755 1.00 0.00 H new ATOM 0 HA3 GLY B 59 2.997 2.303 9.014 1.00 0.00 H new ATOM 2392 N ARG B 60 4.096 0.401 10.247 1.00 0.00 N ATOM 2393 CA ARG B 60 4.568 -0.629 11.149 1.00 0.00 C ATOM 2394 C ARG B 60 3.674 -1.864 11.088 1.00 0.00 C ATOM 2395 O ARG B 60 4.124 -2.981 11.341 1.00 0.00 O ATOM 2396 CB ARG B 60 4.607 -0.081 12.568 1.00 0.00 C ATOM 2397 CG ARG B 60 3.239 0.283 13.116 1.00 0.00 C ATOM 2398 CD ARG B 60 3.324 0.763 14.557 1.00 0.00 C ATOM 2399 NE ARG B 60 2.134 0.403 15.322 1.00 0.00 N ATOM 2400 CZ ARG B 60 1.904 -0.819 15.792 1.00 0.00 C ATOM 2401 NH1 ARG B 60 2.786 -1.787 15.584 1.00 0.00 N ATOM 2402 NH2 ARG B 60 0.793 -1.072 16.469 1.00 0.00 N ATOM 0 H ARG B 60 3.370 0.094 9.600 1.00 0.00 H new ATOM 0 HA ARG B 60 5.571 -0.926 10.844 1.00 0.00 H new ATOM 0 HB2 ARG B 60 5.066 -0.822 13.222 1.00 0.00 H new ATOM 0 HB3 ARG B 60 5.245 0.802 12.590 1.00 0.00 H new ATOM 0 HG2 ARG B 60 2.794 1.063 12.498 1.00 0.00 H new ATOM 0 HG3 ARG B 60 2.581 -0.584 13.059 1.00 0.00 H new ATOM 0 HD2 ARG B 60 4.205 0.332 15.032 1.00 0.00 H new ATOM 0 HD3 ARG B 60 3.452 1.845 14.572 1.00 0.00 H new ATOM 0 HE ARG B 60 1.441 1.129 15.506 1.00 0.00 H new ATOM 0 HH11 ARG B 60 3.642 -1.594 15.063 1.00 0.00 H new ATOM 0 HH12 ARG B 60 2.609 -2.724 15.945 1.00 0.00 H new ATOM 0 HH21 ARG B 60 0.113 -0.329 16.630 1.00 0.00 H new ATOM 0 HH22 ARG B 60 0.618 -2.010 16.829 1.00 0.00 H new ATOM 2416 N ASN B 61 2.404 -1.656 10.750 1.00 0.00 N ATOM 2417 CA ASN B 61 1.451 -2.756 10.657 1.00 0.00 C ATOM 2418 C ASN B 61 0.238 -2.366 9.816 1.00 0.00 C ATOM 2419 O ASN B 61 -0.898 -2.681 10.168 1.00 0.00 O ATOM 2420 CB ASN B 61 0.998 -3.182 12.055 1.00 0.00 C ATOM 2421 CG ASN B 61 0.262 -4.508 12.045 1.00 0.00 C ATOM 2422 OD1 ASN B 61 0.761 -5.470 12.812 1.00 0.00 O flip ATOM 2423 ND2 ASN B 61 -0.746 -4.665 11.355 1.00 0.00 N flip ATOM 0 H ASN B 61 2.013 -0.738 10.537 1.00 0.00 H new ATOM 0 HA ASN B 61 1.951 -3.593 10.169 1.00 0.00 H new ATOM 0 HB2 ASN B 61 1.867 -3.257 12.709 1.00 0.00 H new ATOM 0 HB3 ASN B 61 0.349 -2.413 12.474 1.00 0.00 H new ATOM 0 HD21 ASN B 61 -1.095 -3.898 10.780 1.00 0.00 H new ATOM 0 HD22 ASN B 61 -1.232 -5.562 11.358 1.00 0.00 H new ATOM 2430 N PHE B 62 0.485 -1.682 8.701 1.00 0.00 N ATOM 2431 CA PHE B 62 -0.590 -1.257 7.813 1.00 0.00 C ATOM 2432 C PHE B 62 -0.764 -2.243 6.664 1.00 0.00 C ATOM 2433 O PHE B 62 -0.253 -3.362 6.709 1.00 0.00 O ATOM 2434 CB PHE B 62 -0.305 0.142 7.266 1.00 0.00 C ATOM 2435 CG PHE B 62 0.809 0.179 6.261 1.00 0.00 C ATOM 2436 CD1 PHE B 62 2.131 0.220 6.674 1.00 0.00 C ATOM 2437 CD2 PHE B 62 0.534 0.175 4.903 1.00 0.00 C ATOM 2438 CE1 PHE B 62 3.159 0.256 5.751 1.00 0.00 C ATOM 2439 CE2 PHE B 62 1.557 0.211 3.975 1.00 0.00 C ATOM 2440 CZ PHE B 62 2.871 0.252 4.399 1.00 0.00 C ATOM 0 H PHE B 62 1.419 -1.411 8.393 1.00 0.00 H new ATOM 0 HA PHE B 62 -1.516 -1.230 8.388 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -1.212 0.535 6.806 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -0.057 0.804 8.096 1.00 0.00 H new ATOM 0 HD1 PHE B 62 2.361 0.224 7.729 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -0.492 0.143 4.566 1.00 0.00 H new ATOM 0 HE1 PHE B 62 4.185 0.287 6.085 1.00 0.00 H new ATOM 0 HE2 PHE B 62 1.330 0.207 2.919 1.00 0.00 H new ATOM 0 HZ PHE B 62 3.672 0.281 3.675 1.00 0.00 H new ATOM 2450 N GLY B 63 -1.486 -1.819 5.636 1.00 0.00 N ATOM 2451 CA GLY B 63 -1.715 -2.673 4.487 1.00 0.00 C ATOM 2452 C GLY B 63 -1.664 -1.896 3.191 1.00 0.00 C ATOM 2453 O GLY B 63 -2.533 -1.067 2.925 1.00 0.00 O ATOM 0 H GLY B 63 -1.918 -0.897 5.577 1.00 0.00 H new ATOM 0 HA2 GLY B 63 -0.965 -3.464 4.467 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -2.687 -3.158 4.582 1.00 0.00 H new ATOM 2457 N SER B 64 -0.639 -2.151 2.387 1.00 0.00 N ATOM 2458 CA SER B 64 -0.485 -1.451 1.121 1.00 0.00 C ATOM 2459 C SER B 64 -0.942 -2.309 -0.054 1.00 0.00 C ATOM 2460 O SER B 64 -0.516 -3.452 -0.209 1.00 0.00 O ATOM 2461 CB SER B 64 0.968 -1.016 0.922 1.00 0.00 C ATOM 2462 OG SER B 64 1.838 -2.134 0.873 1.00 0.00 O ATOM 0 H SER B 64 0.093 -2.833 2.588 1.00 0.00 H new ATOM 0 HA SER B 64 -1.120 -0.566 1.156 1.00 0.00 H new ATOM 0 HB2 SER B 64 1.055 -0.444 -0.002 1.00 0.00 H new ATOM 0 HB3 SER B 64 1.267 -0.355 1.736 1.00 0.00 H new ATOM 0 HG SER B 64 1.337 -2.926 0.588 1.00 0.00 H new ATOM 2468 N TYR B 65 -1.811 -1.734 -0.878 1.00 0.00 N ATOM 2469 CA TYR B 65 -2.337 -2.422 -2.051 1.00 0.00 C ATOM 2470 C TYR B 65 -2.346 -1.481 -3.252 1.00 0.00 C ATOM 2471 O TYR B 65 -3.407 -1.085 -3.738 1.00 0.00 O ATOM 2472 CB TYR B 65 -3.752 -2.935 -1.775 1.00 0.00 C ATOM 2473 CG TYR B 65 -4.279 -3.879 -2.834 1.00 0.00 C ATOM 2474 CD1 TYR B 65 -4.023 -5.243 -2.766 1.00 0.00 C ATOM 2475 CD2 TYR B 65 -5.035 -3.404 -3.898 1.00 0.00 C ATOM 2476 CE1 TYR B 65 -4.505 -6.107 -3.731 1.00 0.00 C ATOM 2477 CE2 TYR B 65 -5.521 -4.264 -4.866 1.00 0.00 C ATOM 2478 CZ TYR B 65 -5.252 -5.613 -4.778 1.00 0.00 C ATOM 2479 OH TYR B 65 -5.733 -6.471 -5.741 1.00 0.00 O ATOM 0 H TYR B 65 -2.168 -0.787 -0.754 1.00 0.00 H new ATOM 0 HA TYR B 65 -1.693 -3.273 -2.274 1.00 0.00 H new ATOM 0 HB2 TYR B 65 -3.762 -3.444 -0.811 1.00 0.00 H new ATOM 0 HB3 TYR B 65 -4.427 -2.083 -1.693 1.00 0.00 H new ATOM 0 HD1 TYR B 65 -3.438 -5.634 -1.946 1.00 0.00 H new ATOM 0 HD2 TYR B 65 -5.246 -2.347 -3.970 1.00 0.00 H new ATOM 0 HE1 TYR B 65 -4.297 -7.165 -3.665 1.00 0.00 H new ATOM 0 HE2 TYR B 65 -6.109 -3.880 -5.687 1.00 0.00 H new ATOM 0 HH TYR B 65 -6.691 -6.311 -5.873 1.00 0.00 H new ATOM 2489 N VAL B 66 -1.153 -1.118 -3.718 1.00 0.00 N ATOM 2490 CA VAL B 66 -1.017 -0.215 -4.854 1.00 0.00 C ATOM 2491 C VAL B 66 -0.647 -0.973 -6.126 1.00 0.00 C ATOM 2492 O VAL B 66 -0.318 -2.158 -6.083 1.00 0.00 O ATOM 2493 CB VAL B 66 0.050 0.865 -4.587 1.00 0.00 C ATOM 2494 CG1 VAL B 66 -0.459 1.883 -3.578 1.00 0.00 C ATOM 2495 CG2 VAL B 66 1.347 0.228 -4.106 1.00 0.00 C ATOM 0 H VAL B 66 -0.267 -1.437 -3.325 1.00 0.00 H new ATOM 0 HA VAL B 66 -1.986 0.264 -4.991 1.00 0.00 H new ATOM 0 HB VAL B 66 0.253 1.387 -5.522 1.00 0.00 H new ATOM 0 HG11 VAL B 66 0.309 2.637 -3.403 1.00 0.00 H new ATOM 0 HG12 VAL B 66 -1.357 2.363 -3.967 1.00 0.00 H new ATOM 0 HG13 VAL B 66 -0.694 1.380 -2.640 1.00 0.00 H new ATOM 0 HG21 VAL B 66 2.088 1.006 -3.923 1.00 0.00 H new ATOM 0 HG22 VAL B 66 1.162 -0.322 -3.183 1.00 0.00 H new ATOM 0 HG23 VAL B 66 1.720 -0.457 -4.867 1.00 0.00 H new ATOM 2505 N THR B 67 -0.704 -0.275 -7.256 1.00 0.00 N ATOM 2506 CA THR B 67 -0.377 -0.872 -8.547 1.00 0.00 C ATOM 2507 C THR B 67 0.832 -0.180 -9.171 1.00 0.00 C ATOM 2508 O THR B 67 0.683 0.683 -10.036 1.00 0.00 O ATOM 2509 CB THR B 67 -1.578 -0.775 -9.492 1.00 0.00 C ATOM 2510 OG1 THR B 67 -2.721 -1.376 -8.912 1.00 0.00 O ATOM 2511 CG2 THR B 67 -1.342 -1.436 -10.833 1.00 0.00 C ATOM 0 H THR B 67 -0.974 0.707 -7.304 1.00 0.00 H new ATOM 0 HA THR B 67 -0.132 -1.922 -8.387 1.00 0.00 H new ATOM 0 HB THR B 67 -1.731 0.292 -9.655 1.00 0.00 H new ATOM 0 HG1 THR B 67 -2.753 -2.324 -9.159 1.00 0.00 H new ATOM 0 HG21 THR B 67 -2.232 -1.330 -11.453 1.00 0.00 H new ATOM 0 HG22 THR B 67 -0.496 -0.960 -11.329 1.00 0.00 H new ATOM 0 HG23 THR B 67 -1.127 -2.494 -10.684 1.00 0.00 H new ATOM 2519 N HIS B 68 2.028 -0.558 -8.726 1.00 0.00 N ATOM 2520 CA HIS B 68 3.255 0.037 -9.246 1.00 0.00 C ATOM 2521 C HIS B 68 3.348 -0.139 -10.758 1.00 0.00 C ATOM 2522 O HIS B 68 2.410 0.185 -11.485 1.00 0.00 O ATOM 2523 CB HIS B 68 4.483 -0.583 -8.570 1.00 0.00 C ATOM 2524 CG HIS B 68 5.736 0.221 -8.750 1.00 0.00 C ATOM 2525 ND1 HIS B 68 6.442 0.266 -9.935 1.00 0.00 N ATOM 2526 CD2 HIS B 68 6.412 1.013 -7.883 1.00 0.00 C ATOM 2527 CE1 HIS B 68 7.497 1.049 -9.789 1.00 0.00 C ATOM 2528 NE2 HIS B 68 7.501 1.514 -8.554 1.00 0.00 N ATOM 0 H HIS B 68 2.173 -1.270 -8.010 1.00 0.00 H new ATOM 0 HA HIS B 68 3.230 1.104 -9.023 1.00 0.00 H new ATOM 0 HB2 HIS B 68 4.283 -0.695 -7.504 1.00 0.00 H new ATOM 0 HB3 HIS B 68 4.642 -1.584 -8.972 1.00 0.00 H new ATOM 0 HD2 HIS B 68 6.145 1.213 -6.856 1.00 0.00 H new ATOM 0 HE1 HIS B 68 8.230 1.270 -10.550 1.00 0.00 H new ATOM 0 HE2 HIS B 68 8.200 2.144 -8.161 1.00 0.00 H new ATOM 2537 N GLU B 69 4.485 -0.648 -11.224 1.00 0.00 N ATOM 2538 CA GLU B 69 4.702 -0.860 -12.651 1.00 0.00 C ATOM 2539 C GLU B 69 6.188 -1.005 -12.963 1.00 0.00 C ATOM 2540 O GLU B 69 6.594 -1.912 -13.691 1.00 0.00 O ATOM 2541 CB GLU B 69 4.126 0.309 -13.452 1.00 0.00 C ATOM 2542 CG GLU B 69 4.559 1.672 -12.932 1.00 0.00 C ATOM 2543 CD GLU B 69 4.236 2.794 -13.899 1.00 0.00 C ATOM 2544 OE1 GLU B 69 4.282 2.553 -15.123 1.00 0.00 O ATOM 2545 OE2 GLU B 69 3.939 3.914 -13.432 1.00 0.00 O ATOM 0 H GLU B 69 5.270 -0.921 -10.633 1.00 0.00 H new ATOM 0 HA GLU B 69 4.194 -1.782 -12.934 1.00 0.00 H new ATOM 0 HB2 GLU B 69 4.433 0.212 -14.493 1.00 0.00 H new ATOM 0 HB3 GLU B 69 3.038 0.251 -13.434 1.00 0.00 H new ATOM 0 HG2 GLU B 69 4.067 1.866 -11.979 1.00 0.00 H new ATOM 0 HG3 GLU B 69 5.632 1.660 -12.741 1.00 0.00 H new ATOM 2552 N THR B 70 6.994 -0.098 -12.417 1.00 0.00 N ATOM 2553 CA THR B 70 8.434 -0.112 -12.648 1.00 0.00 C ATOM 2554 C THR B 70 9.158 -1.000 -11.636 1.00 0.00 C ATOM 2555 O THR B 70 9.023 -2.223 -11.657 1.00 0.00 O ATOM 2556 CB THR B 70 8.993 1.312 -12.590 1.00 0.00 C ATOM 2557 OG1 THR B 70 8.131 2.216 -13.259 1.00 0.00 O ATOM 2558 CG2 THR B 70 10.366 1.439 -13.213 1.00 0.00 C ATOM 0 H THR B 70 6.673 0.657 -11.811 1.00 0.00 H new ATOM 0 HA THR B 70 8.606 -0.527 -13.641 1.00 0.00 H new ATOM 0 HB THR B 70 9.069 1.552 -11.529 1.00 0.00 H new ATOM 0 HG1 THR B 70 8.504 3.121 -13.210 1.00 0.00 H new ATOM 0 HG21 THR B 70 10.705 2.472 -13.139 1.00 0.00 H new ATOM 0 HG22 THR B 70 11.066 0.789 -12.687 1.00 0.00 H new ATOM 0 HG23 THR B 70 10.318 1.147 -14.262 1.00 0.00 H new ATOM 2566 N LYS B 71 9.940 -0.373 -10.759 1.00 0.00 N ATOM 2567 CA LYS B 71 10.703 -1.098 -9.747 1.00 0.00 C ATOM 2568 C LYS B 71 9.800 -1.957 -8.870 1.00 0.00 C ATOM 2569 O LYS B 71 10.263 -2.576 -7.911 1.00 0.00 O ATOM 2570 CB LYS B 71 11.487 -0.119 -8.871 1.00 0.00 C ATOM 2571 CG LYS B 71 12.071 1.054 -9.638 1.00 0.00 C ATOM 2572 CD LYS B 71 13.587 0.963 -9.723 1.00 0.00 C ATOM 2573 CE LYS B 71 14.052 0.731 -11.151 1.00 0.00 C ATOM 2574 NZ LYS B 71 13.764 1.901 -12.025 1.00 0.00 N ATOM 0 H LYS B 71 10.061 0.639 -10.730 1.00 0.00 H new ATOM 0 HA LYS B 71 11.396 -1.757 -10.270 1.00 0.00 H new ATOM 0 HB2 LYS B 71 10.830 0.261 -8.089 1.00 0.00 H new ATOM 0 HB3 LYS B 71 12.296 -0.656 -8.375 1.00 0.00 H new ATOM 0 HG2 LYS B 71 11.650 1.079 -10.643 1.00 0.00 H new ATOM 0 HG3 LYS B 71 11.788 1.987 -9.150 1.00 0.00 H new ATOM 0 HD2 LYS B 71 14.030 1.882 -9.340 1.00 0.00 H new ATOM 0 HD3 LYS B 71 13.940 0.151 -9.088 1.00 0.00 H new ATOM 0 HE2 LYS B 71 15.123 0.529 -11.156 1.00 0.00 H new ATOM 0 HE3 LYS B 71 13.559 -0.154 -11.554 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 14.171 1.738 -12.968 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 12.735 2.027 -12.109 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 14.185 2.757 -11.609 1.00 0.00 H new ATOM 2588 N HIS B 72 8.514 -1.995 -9.192 1.00 0.00 N ATOM 2589 CA HIS B 72 7.565 -2.783 -8.418 1.00 0.00 C ATOM 2590 C HIS B 72 7.302 -2.128 -7.067 1.00 0.00 C ATOM 2591 O HIS B 72 6.245 -1.533 -6.853 1.00 0.00 O ATOM 2592 CB HIS B 72 8.101 -4.201 -8.211 1.00 0.00 C ATOM 2593 CG HIS B 72 7.346 -5.248 -8.971 1.00 0.00 C ATOM 2594 ND1 HIS B 72 7.949 -6.352 -9.535 1.00 0.00 N ATOM 2595 CD2 HIS B 72 6.026 -5.354 -9.259 1.00 0.00 C ATOM 2596 CE1 HIS B 72 7.034 -7.092 -10.137 1.00 0.00 C ATOM 2597 NE2 HIS B 72 5.861 -6.509 -9.982 1.00 0.00 N ATOM 0 H HIS B 72 8.106 -1.492 -9.980 1.00 0.00 H new ATOM 0 HA HIS B 72 6.628 -2.833 -8.972 1.00 0.00 H new ATOM 0 HB2 HIS B 72 9.148 -4.231 -8.511 1.00 0.00 H new ATOM 0 HB3 HIS B 72 8.067 -4.441 -7.148 1.00 0.00 H new ATOM 0 HD2 HIS B 72 5.250 -4.660 -8.973 1.00 0.00 H new ATOM 0 HE1 HIS B 72 7.216 -8.016 -10.666 1.00 0.00 H new ATOM 0 HE2 HIS B 72 4.974 -6.860 -10.342 1.00 0.00 H new ATOM 2606 N PHE B 73 8.276 -2.247 -6.167 1.00 0.00 N ATOM 2607 CA PHE B 73 8.181 -1.677 -4.825 1.00 0.00 C ATOM 2608 C PHE B 73 9.076 -2.446 -3.862 1.00 0.00 C ATOM 2609 O PHE B 73 9.642 -3.477 -4.219 1.00 0.00 O ATOM 2610 CB PHE B 73 6.736 -1.701 -4.317 1.00 0.00 C ATOM 2611 CG PHE B 73 6.238 -3.077 -3.970 1.00 0.00 C ATOM 2612 CD1 PHE B 73 6.115 -4.052 -4.948 1.00 0.00 C ATOM 2613 CD2 PHE B 73 5.889 -3.392 -2.667 1.00 0.00 C ATOM 2614 CE1 PHE B 73 5.655 -5.317 -4.630 1.00 0.00 C ATOM 2615 CE2 PHE B 73 5.428 -4.654 -2.343 1.00 0.00 C ATOM 2616 CZ PHE B 73 5.311 -5.618 -3.327 1.00 0.00 C ATOM 0 H PHE B 73 9.151 -2.740 -6.347 1.00 0.00 H new ATOM 0 HA PHE B 73 8.512 -0.640 -4.877 1.00 0.00 H new ATOM 0 HB2 PHE B 73 6.660 -1.064 -3.436 1.00 0.00 H new ATOM 0 HB3 PHE B 73 6.086 -1.271 -5.079 1.00 0.00 H new ATOM 0 HD1 PHE B 73 6.381 -3.821 -5.969 1.00 0.00 H new ATOM 0 HD2 PHE B 73 5.978 -2.642 -1.895 1.00 0.00 H new ATOM 0 HE1 PHE B 73 5.565 -6.069 -5.400 1.00 0.00 H new ATOM 0 HE2 PHE B 73 5.160 -4.887 -1.323 1.00 0.00 H new ATOM 0 HZ PHE B 73 4.951 -6.605 -3.077 1.00 0.00 H new ATOM 2626 N ILE B 74 9.197 -1.947 -2.638 1.00 0.00 N ATOM 2627 CA ILE B 74 10.018 -2.605 -1.633 1.00 0.00 C ATOM 2628 C ILE B 74 9.440 -2.415 -0.238 1.00 0.00 C ATOM 2629 O ILE B 74 9.314 -1.290 0.247 1.00 0.00 O ATOM 2630 CB ILE B 74 11.468 -2.088 -1.641 1.00 0.00 C ATOM 2631 CG1 ILE B 74 12.320 -2.960 -0.691 1.00 0.00 C ATOM 2632 CG2 ILE B 74 11.495 -0.608 -1.266 1.00 0.00 C ATOM 2633 CD1 ILE B 74 13.374 -2.222 0.116 1.00 0.00 C ATOM 0 H ILE B 74 8.739 -1.093 -2.320 1.00 0.00 H new ATOM 0 HA ILE B 74 10.020 -3.664 -1.889 1.00 0.00 H new ATOM 0 HB ILE B 74 11.898 -2.168 -2.639 1.00 0.00 H new ATOM 0 HG12 ILE B 74 11.651 -3.470 0.001 1.00 0.00 H new ATOM 0 HG13 ILE B 74 12.815 -3.731 -1.282 1.00 0.00 H new ATOM 0 HG21 ILE B 74 12.524 -0.249 -1.274 1.00 0.00 H new ATOM 0 HG22 ILE B 74 10.907 -0.039 -1.986 1.00 0.00 H new ATOM 0 HG23 ILE B 74 11.073 -0.477 -0.270 1.00 0.00 H new ATOM 0 HD11 ILE B 74 13.911 -2.930 0.747 1.00 0.00 H new ATOM 0 HD12 ILE B 74 14.076 -1.735 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE B 74 12.893 -1.471 0.742 1.00 0.00 H new ATOM 2645 N TYR B 75 9.100 -3.524 0.405 1.00 0.00 N ATOM 2646 CA TYR B 75 8.544 -3.487 1.749 1.00 0.00 C ATOM 2647 C TYR B 75 9.597 -3.897 2.769 1.00 0.00 C ATOM 2648 O TYR B 75 10.338 -4.856 2.555 1.00 0.00 O ATOM 2649 CB TYR B 75 7.331 -4.412 1.850 1.00 0.00 C ATOM 2650 CG TYR B 75 6.257 -3.900 2.782 1.00 0.00 C ATOM 2651 CD1 TYR B 75 6.454 -3.877 4.157 1.00 0.00 C ATOM 2652 CD2 TYR B 75 5.042 -3.441 2.285 1.00 0.00 C ATOM 2653 CE1 TYR B 75 5.472 -3.411 5.011 1.00 0.00 C ATOM 2654 CE2 TYR B 75 4.058 -2.972 3.133 1.00 0.00 C ATOM 2655 CZ TYR B 75 4.276 -2.960 4.493 1.00 0.00 C ATOM 2656 OH TYR B 75 3.295 -2.495 5.339 1.00 0.00 O ATOM 0 H TYR B 75 9.200 -4.462 0.016 1.00 0.00 H new ATOM 0 HA TYR B 75 8.226 -2.466 1.962 1.00 0.00 H new ATOM 0 HB2 TYR B 75 6.904 -4.548 0.856 1.00 0.00 H new ATOM 0 HB3 TYR B 75 7.660 -5.393 2.192 1.00 0.00 H new ATOM 0 HD1 TYR B 75 7.390 -4.229 4.565 1.00 0.00 H new ATOM 0 HD2 TYR B 75 4.865 -3.451 1.220 1.00 0.00 H new ATOM 0 HE1 TYR B 75 5.640 -3.400 6.078 1.00 0.00 H new ATOM 0 HE2 TYR B 75 3.121 -2.616 2.731 1.00 0.00 H new ATOM 0 HH TYR B 75 2.963 -1.633 5.012 1.00 0.00 H new ATOM 2666 N PHE B 76 9.662 -3.165 3.873 1.00 0.00 N ATOM 2667 CA PHE B 76 10.629 -3.454 4.925 1.00 0.00 C ATOM 2668 C PHE B 76 10.193 -2.841 6.250 1.00 0.00 C ATOM 2669 O PHE B 76 9.868 -1.656 6.322 1.00 0.00 O ATOM 2670 CB PHE B 76 12.012 -2.929 4.535 1.00 0.00 C ATOM 2671 CG PHE B 76 11.975 -1.596 3.844 1.00 0.00 C ATOM 2672 CD1 PHE B 76 11.453 -1.477 2.566 1.00 0.00 C ATOM 2673 CD2 PHE B 76 12.466 -0.462 4.472 1.00 0.00 C ATOM 2674 CE1 PHE B 76 11.419 -0.251 1.928 1.00 0.00 C ATOM 2675 CE2 PHE B 76 12.435 0.765 3.837 1.00 0.00 C ATOM 2676 CZ PHE B 76 11.911 0.871 2.564 1.00 0.00 C ATOM 0 H PHE B 76 9.057 -2.366 4.064 1.00 0.00 H new ATOM 0 HA PHE B 76 10.681 -4.536 5.048 1.00 0.00 H new ATOM 0 HB2 PHE B 76 12.627 -2.847 5.431 1.00 0.00 H new ATOM 0 HB3 PHE B 76 12.496 -3.655 3.881 1.00 0.00 H new ATOM 0 HD1 PHE B 76 11.068 -2.352 2.063 1.00 0.00 H new ATOM 0 HD2 PHE B 76 12.877 -0.538 5.468 1.00 0.00 H new ATOM 0 HE1 PHE B 76 11.008 -0.171 0.933 1.00 0.00 H new ATOM 0 HE2 PHE B 76 12.821 1.641 4.337 1.00 0.00 H new ATOM 0 HZ PHE B 76 11.886 1.830 2.067 1.00 0.00 H new ATOM 2686 N TYR B 77 10.186 -3.658 7.297 1.00 0.00 N ATOM 2687 CA TYR B 77 9.785 -3.200 8.621 1.00 0.00 C ATOM 2688 C TYR B 77 11.005 -2.838 9.468 1.00 0.00 C ATOM 2689 O TYR B 77 11.799 -3.703 9.835 1.00 0.00 O ATOM 2690 CB TYR B 77 8.949 -4.277 9.322 1.00 0.00 C ATOM 2691 CG TYR B 77 8.928 -4.159 10.831 1.00 0.00 C ATOM 2692 CD1 TYR B 77 9.947 -4.701 11.603 1.00 0.00 C ATOM 2693 CD2 TYR B 77 7.886 -3.509 11.483 1.00 0.00 C ATOM 2694 CE1 TYR B 77 9.931 -4.599 12.982 1.00 0.00 C ATOM 2695 CE2 TYR B 77 7.862 -3.403 12.860 1.00 0.00 C ATOM 2696 CZ TYR B 77 8.887 -3.949 13.604 1.00 0.00 C ATOM 2697 OH TYR B 77 8.866 -3.847 14.976 1.00 0.00 O ATOM 0 H TYR B 77 10.454 -4.641 7.254 1.00 0.00 H new ATOM 0 HA TYR B 77 9.178 -2.303 8.503 1.00 0.00 H new ATOM 0 HB2 TYR B 77 7.926 -4.226 8.950 1.00 0.00 H new ATOM 0 HB3 TYR B 77 9.339 -5.258 9.050 1.00 0.00 H new ATOM 0 HD1 TYR B 77 10.766 -5.211 11.118 1.00 0.00 H new ATOM 0 HD2 TYR B 77 7.082 -3.080 10.903 1.00 0.00 H new ATOM 0 HE1 TYR B 77 10.732 -5.026 13.568 1.00 0.00 H new ATOM 0 HE2 TYR B 77 7.045 -2.895 13.351 1.00 0.00 H new ATOM 0 HH TYR B 77 9.743 -3.547 15.295 1.00 0.00 H new ATOM 2707 N LEU B 78 11.135 -1.553 9.779 1.00 0.00 N ATOM 2708 CA LEU B 78 12.244 -1.063 10.589 1.00 0.00 C ATOM 2709 C LEU B 78 12.105 -1.546 12.030 1.00 0.00 C ATOM 2710 O LEU B 78 11.075 -2.103 12.408 1.00 0.00 O ATOM 2711 CB LEU B 78 12.284 0.469 10.553 1.00 0.00 C ATOM 2712 CG LEU B 78 12.982 1.101 9.339 1.00 0.00 C ATOM 2713 CD1 LEU B 78 14.475 1.221 9.589 1.00 0.00 C ATOM 2714 CD2 LEU B 78 12.713 0.304 8.067 1.00 0.00 C ATOM 0 H LEU B 78 10.482 -0.828 9.480 1.00 0.00 H new ATOM 0 HA LEU B 78 13.174 -1.454 10.177 1.00 0.00 H new ATOM 0 HB2 LEU B 78 11.260 0.839 10.590 1.00 0.00 H new ATOM 0 HB3 LEU B 78 12.783 0.820 11.456 1.00 0.00 H new ATOM 0 HG LEU B 78 12.570 2.100 9.198 1.00 0.00 H new ATOM 0 HD11 LEU B 78 14.955 1.671 8.719 1.00 0.00 H new ATOM 0 HD12 LEU B 78 14.648 1.848 10.464 1.00 0.00 H new ATOM 0 HD13 LEU B 78 14.895 0.231 9.764 1.00 0.00 H new ATOM 0 HD21 LEU B 78 13.221 0.777 7.227 1.00 0.00 H new ATOM 0 HD22 LEU B 78 13.085 -0.713 8.189 1.00 0.00 H new ATOM 0 HD23 LEU B 78 11.640 0.277 7.874 1.00 0.00 H new ATOM 2726 N GLY B 79 13.150 -1.332 12.825 1.00 0.00 N ATOM 2727 CA GLY B 79 13.131 -1.753 14.217 1.00 0.00 C ATOM 2728 C GLY B 79 11.730 -1.823 14.795 1.00 0.00 C ATOM 2729 O GLY B 79 11.399 -2.755 15.528 1.00 0.00 O ATOM 0 H GLY B 79 14.012 -0.873 12.530 1.00 0.00 H new ATOM 0 HA2 GLY B 79 13.602 -2.732 14.301 1.00 0.00 H new ATOM 0 HA3 GLY B 79 13.728 -1.060 14.809 1.00 0.00 H new ATOM 2733 N GLN B 80 10.904 -0.834 14.467 1.00 0.00 N ATOM 2734 CA GLN B 80 9.531 -0.787 14.958 1.00 0.00 C ATOM 2735 C GLN B 80 8.641 0.001 14.004 1.00 0.00 C ATOM 2736 O GLN B 80 7.728 0.707 14.433 1.00 0.00 O ATOM 2737 CB GLN B 80 9.486 -0.155 16.350 1.00 0.00 C ATOM 2738 CG GLN B 80 10.435 -0.800 17.345 1.00 0.00 C ATOM 2739 CD GLN B 80 10.190 -0.334 18.766 1.00 0.00 C ATOM 2740 OE1 GLN B 80 9.089 -0.479 19.299 1.00 0.00 O ATOM 2741 NE2 GLN B 80 11.217 0.233 19.388 1.00 0.00 N ATOM 0 H GLN B 80 11.162 -0.054 13.863 1.00 0.00 H new ATOM 0 HA GLN B 80 9.158 -1.809 15.018 1.00 0.00 H new ATOM 0 HB2 GLN B 80 9.727 0.905 16.266 1.00 0.00 H new ATOM 0 HB3 GLN B 80 8.469 -0.221 16.736 1.00 0.00 H new ATOM 0 HG2 GLN B 80 10.325 -1.883 17.297 1.00 0.00 H new ATOM 0 HG3 GLN B 80 11.463 -0.571 17.063 1.00 0.00 H new ATOM 0 HE21 GLN B 80 12.112 0.333 18.908 1.00 0.00 H new ATOM 0 HE22 GLN B 80 11.111 0.569 20.345 1.00 0.00 H new ATOM 2750 N VAL B 81 8.917 -0.118 12.711 1.00 0.00 N ATOM 2751 CA VAL B 81 8.148 0.586 11.695 1.00 0.00 C ATOM 2752 C VAL B 81 8.141 -0.187 10.381 1.00 0.00 C ATOM 2753 O VAL B 81 8.866 -1.167 10.224 1.00 0.00 O ATOM 2754 CB VAL B 81 8.715 1.997 11.450 1.00 0.00 C ATOM 2755 CG1 VAL B 81 7.896 2.733 10.402 1.00 0.00 C ATOM 2756 CG2 VAL B 81 8.761 2.785 12.751 1.00 0.00 C ATOM 0 H VAL B 81 9.670 -0.698 12.341 1.00 0.00 H new ATOM 0 HA VAL B 81 7.126 0.671 12.065 1.00 0.00 H new ATOM 0 HB VAL B 81 9.733 1.897 11.073 1.00 0.00 H new ATOM 0 HG11 VAL B 81 8.315 3.727 10.245 1.00 0.00 H new ATOM 0 HG12 VAL B 81 7.920 2.177 9.465 1.00 0.00 H new ATOM 0 HG13 VAL B 81 6.865 2.823 10.744 1.00 0.00 H new ATOM 0 HG21 VAL B 81 9.164 3.780 12.560 1.00 0.00 H new ATOM 0 HG22 VAL B 81 7.754 2.874 13.158 1.00 0.00 H new ATOM 0 HG23 VAL B 81 9.398 2.267 13.468 1.00 0.00 H new ATOM 2766 N ALA B 82 7.320 0.261 9.438 1.00 0.00 N ATOM 2767 CA ALA B 82 7.225 -0.387 8.136 1.00 0.00 C ATOM 2768 C ALA B 82 7.388 0.638 7.023 1.00 0.00 C ATOM 2769 O ALA B 82 7.108 1.821 7.214 1.00 0.00 O ATOM 2770 CB ALA B 82 5.898 -1.117 8.001 1.00 0.00 C ATOM 0 H ALA B 82 6.710 1.071 9.551 1.00 0.00 H new ATOM 0 HA ALA B 82 8.028 -1.119 8.052 1.00 0.00 H new ATOM 0 HB1 ALA B 82 5.844 -1.595 7.023 1.00 0.00 H new ATOM 0 HB2 ALA B 82 5.819 -1.875 8.780 1.00 0.00 H new ATOM 0 HB3 ALA B 82 5.079 -0.405 8.103 1.00 0.00 H new ATOM 2776 N ILE B 83 7.847 0.186 5.862 1.00 0.00 N ATOM 2777 CA ILE B 83 8.048 1.084 4.731 1.00 0.00 C ATOM 2778 C ILE B 83 7.682 0.414 3.412 1.00 0.00 C ATOM 2779 O ILE B 83 8.181 -0.664 3.089 1.00 0.00 O ATOM 2780 CB ILE B 83 9.506 1.580 4.651 1.00 0.00 C ATOM 2781 CG1 ILE B 83 10.232 1.349 5.980 1.00 0.00 C ATOM 2782 CG2 ILE B 83 9.539 3.051 4.271 1.00 0.00 C ATOM 2783 CD1 ILE B 83 9.763 2.261 7.095 1.00 0.00 C ATOM 0 H ILE B 83 8.085 -0.789 5.679 1.00 0.00 H new ATOM 0 HA ILE B 83 7.389 1.936 4.896 1.00 0.00 H new ATOM 0 HB ILE B 83 10.024 1.009 3.880 1.00 0.00 H new ATOM 0 HG12 ILE B 83 10.090 0.313 6.286 1.00 0.00 H new ATOM 0 HG13 ILE B 83 11.302 1.494 5.830 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.574 3.390 4.218 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.062 3.187 3.300 1.00 0.00 H new ATOM 0 HG23 ILE B 83 9.005 3.633 5.022 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.321 2.040 8.005 1.00 0.00 H new ATOM 0 HD12 ILE B 83 9.930 3.300 6.810 1.00 0.00 H new ATOM 0 HD13 ILE B 83 8.700 2.100 7.274 1.00 0.00 H new ATOM 2795 N LEU B 84 6.813 1.070 2.649 1.00 0.00 N ATOM 2796 CA LEU B 84 6.381 0.554 1.355 1.00 0.00 C ATOM 2797 C LEU B 84 6.773 1.523 0.244 1.00 0.00 C ATOM 2798 O LEU B 84 6.060 2.488 -0.028 1.00 0.00 O ATOM 2799 CB LEU B 84 4.867 0.331 1.348 1.00 0.00 C ATOM 2800 CG LEU B 84 4.212 0.373 -0.034 1.00 0.00 C ATOM 2801 CD1 LEU B 84 3.875 -1.033 -0.506 1.00 0.00 C ATOM 2802 CD2 LEU B 84 2.965 1.244 -0.009 1.00 0.00 C ATOM 0 H LEU B 84 6.393 1.963 2.906 1.00 0.00 H new ATOM 0 HA LEU B 84 6.875 -0.402 1.180 1.00 0.00 H new ATOM 0 HB2 LEU B 84 4.656 -0.636 1.804 1.00 0.00 H new ATOM 0 HB3 LEU B 84 4.401 1.089 1.977 1.00 0.00 H new ATOM 0 HG LEU B 84 4.920 0.811 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU B 84 3.410 -0.985 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU B 84 4.788 -1.626 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU B 84 3.185 -1.498 0.199 1.00 0.00 H new ATOM 0 HD21 LEU B 84 2.513 1.261 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU B 84 2.251 0.837 0.708 1.00 0.00 H new ATOM 0 HD23 LEU B 84 3.236 2.258 0.284 1.00 0.00 H new ATOM 2814 N LEU B 85 7.911 1.266 -0.388 1.00 0.00 N ATOM 2815 CA LEU B 85 8.402 2.124 -1.461 1.00 0.00 C ATOM 2816 C LEU B 85 7.957 1.613 -2.830 1.00 0.00 C ATOM 2817 O LEU B 85 8.231 0.471 -3.197 1.00 0.00 O ATOM 2818 CB LEU B 85 9.928 2.212 -1.406 1.00 0.00 C ATOM 2819 CG LEU B 85 10.487 3.579 -1.010 1.00 0.00 C ATOM 2820 CD1 LEU B 85 10.071 3.937 0.408 1.00 0.00 C ATOM 2821 CD2 LEU B 85 12.002 3.594 -1.143 1.00 0.00 C ATOM 0 H LEU B 85 8.512 0.470 -0.177 1.00 0.00 H new ATOM 0 HA LEU B 85 7.977 3.118 -1.318 1.00 0.00 H new ATOM 0 HB2 LEU B 85 10.294 1.469 -0.698 1.00 0.00 H new ATOM 0 HB3 LEU B 85 10.327 1.944 -2.384 1.00 0.00 H new ATOM 0 HG LEU B 85 10.075 4.328 -1.687 1.00 0.00 H new ATOM 0 HD11 LEU B 85 10.479 4.913 0.671 1.00 0.00 H new ATOM 0 HD12 LEU B 85 8.983 3.969 0.471 1.00 0.00 H new ATOM 0 HD13 LEU B 85 10.453 3.186 1.100 1.00 0.00 H new ATOM 0 HD21 LEU B 85 12.383 4.575 -0.857 1.00 0.00 H new ATOM 0 HD22 LEU B 85 12.432 2.834 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU B 85 12.279 3.385 -2.176 1.00 0.00 H new ATOM 2833 N PHE B 86 7.277 2.473 -3.584 1.00 0.00 N ATOM 2834 CA PHE B 86 6.799 2.117 -4.916 1.00 0.00 C ATOM 2835 C PHE B 86 6.447 3.375 -5.715 1.00 0.00 C ATOM 2836 O PHE B 86 5.628 4.186 -5.282 1.00 0.00 O ATOM 2837 CB PHE B 86 5.591 1.167 -4.809 1.00 0.00 C ATOM 2838 CG PHE B 86 4.262 1.799 -5.130 1.00 0.00 C ATOM 2839 CD1 PHE B 86 3.575 2.526 -4.171 1.00 0.00 C ATOM 2840 CD2 PHE B 86 3.704 1.667 -6.391 1.00 0.00 C ATOM 2841 CE1 PHE B 86 2.358 3.109 -4.464 1.00 0.00 C ATOM 2842 CE2 PHE B 86 2.486 2.247 -6.691 1.00 0.00 C ATOM 2843 CZ PHE B 86 1.812 2.969 -5.726 1.00 0.00 C ATOM 0 H PHE B 86 7.045 3.423 -3.294 1.00 0.00 H new ATOM 0 HA PHE B 86 7.595 1.597 -5.450 1.00 0.00 H new ATOM 0 HB2 PHE B 86 5.749 0.324 -5.481 1.00 0.00 H new ATOM 0 HB3 PHE B 86 5.551 0.764 -3.797 1.00 0.00 H new ATOM 0 HD1 PHE B 86 3.996 2.638 -3.183 1.00 0.00 H new ATOM 0 HD2 PHE B 86 4.227 1.104 -7.149 1.00 0.00 H new ATOM 0 HE1 PHE B 86 1.833 3.674 -3.708 1.00 0.00 H new ATOM 0 HE2 PHE B 86 2.062 2.136 -7.678 1.00 0.00 H new ATOM 0 HZ PHE B 86 0.860 3.423 -5.957 1.00 0.00 H new ATOM 2853 N LYS B 87 7.073 3.532 -6.880 1.00 0.00 N ATOM 2854 CA LYS B 87 6.828 4.691 -7.732 1.00 0.00 C ATOM 2855 C LYS B 87 5.880 4.340 -8.870 1.00 0.00 C ATOM 2856 O LYS B 87 5.925 3.237 -9.414 1.00 0.00 O ATOM 2857 CB LYS B 87 8.146 5.218 -8.298 1.00 0.00 C ATOM 2858 CG LYS B 87 9.161 4.127 -8.587 1.00 0.00 C ATOM 2859 CD LYS B 87 10.514 4.713 -8.952 1.00 0.00 C ATOM 2860 CE LYS B 87 10.704 4.774 -10.459 1.00 0.00 C ATOM 2861 NZ LYS B 87 12.135 4.638 -10.843 1.00 0.00 N ATOM 0 H LYS B 87 7.753 2.871 -7.254 1.00 0.00 H new ATOM 0 HA LYS B 87 6.363 5.466 -7.123 1.00 0.00 H new ATOM 0 HB2 LYS B 87 7.943 5.767 -9.217 1.00 0.00 H new ATOM 0 HB3 LYS B 87 8.578 5.927 -7.592 1.00 0.00 H new ATOM 0 HG2 LYS B 87 9.265 3.484 -7.713 1.00 0.00 H new ATOM 0 HG3 LYS B 87 8.802 3.500 -9.403 1.00 0.00 H new ATOM 0 HD2 LYS B 87 10.604 5.715 -8.532 1.00 0.00 H new ATOM 0 HD3 LYS B 87 11.305 4.109 -8.508 1.00 0.00 H new ATOM 0 HE2 LYS B 87 10.124 3.980 -10.931 1.00 0.00 H new ATOM 0 HE3 LYS B 87 10.315 5.720 -10.836 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 12.223 4.685 -11.878 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 12.684 5.410 -10.414 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 12.500 3.724 -10.506 1.00 0.00 H new ATOM 2875 N SER B 88 5.025 5.289 -9.228 1.00 0.00 N ATOM 2876 CA SER B 88 4.069 5.086 -10.307 1.00 0.00 C ATOM 2877 C SER B 88 4.477 5.881 -11.535 1.00 0.00 C ATOM 2878 O SER B 88 3.670 6.139 -12.427 1.00 0.00 O ATOM 2879 CB SER B 88 2.667 5.498 -9.861 1.00 0.00 C ATOM 2880 OG SER B 88 1.824 4.368 -9.717 1.00 0.00 O ATOM 0 H SER B 88 4.974 6.207 -8.786 1.00 0.00 H new ATOM 0 HA SER B 88 4.060 4.026 -10.562 1.00 0.00 H new ATOM 0 HB2 SER B 88 2.726 6.034 -8.914 1.00 0.00 H new ATOM 0 HB3 SER B 88 2.238 6.185 -10.590 1.00 0.00 H new ATOM 0 HG SER B 88 1.263 4.478 -8.921 1.00 0.00 H new ATOM 2886 N GLY B 89 5.742 6.261 -11.560 1.00 0.00 N ATOM 2887 CA GLY B 89 6.269 7.029 -12.674 1.00 0.00 C ATOM 2888 C GLY B 89 5.912 8.500 -12.583 1.00 0.00 C ATOM 2889 O GLY B 89 6.553 9.311 -13.283 1.00 0.00 O ATOM 2890 OXT GLY B 89 4.990 8.839 -11.812 1.00 0.00 O ATOM 0 H GLY B 89 6.420 6.052 -10.827 1.00 0.00 H new ATOM 0 HA2 GLY B 89 7.353 6.922 -12.704 1.00 0.00 H new ATOM 0 HA3 GLY B 89 5.882 6.621 -13.608 1.00 0.00 H new