USER MOD reduce.3.24.130724 H: found=0, std=0, add=1058, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1062 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 31 SER OG : rot 169:sc= -0.805! USER MOD Set 1.2: B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: B 70 GLN :FLIP amide:sc= -4.48! C(o=-8.6!,f=-5.3!) USER MOD Set 2.1: A 74 GLN :FLIP amide:sc= -5.31! C(o=-13!,f=-11!) USER MOD Set 2.2: B 74 GLN :FLIP amide:sc= -5.38! C(o=-13!,f=-11!) USER MOD Set 3.1: A 31 SER OG : rot 174:sc= -0.794 USER MOD Set 3.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 70 GLN :FLIP amide:sc= -4.42! C(o=-8.9!,f=-5.2!) USER MOD Set 4.1: A 12 SER OG : rot -57:sc= -0.466 USER MOD Set 4.2: B 12 SER OG : rot -55:sc= -0.488 USER MOD Single : A 4 THR OG1 : rot -151:sc= 1.13 USER MOD Single : A 6 THR OG1 : rot -144:sc= 0.17 USER MOD Single : A 9 CYS SG : rot 51:sc= -1.63 USER MOD Single : A 18 GLN : amide:sc= -1.8 X(o=-1.8,f=-1.6) USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= -0.0193 (180deg=-0.236) USER MOD Single : A 20 TYR OH : rot 180:sc= -1.22 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.589 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 179:sc= -11! (180deg=-11.3!) USER MOD Single : A 40 ASN : amide:sc= -0.515 X(o=-0.52,f=-0.44) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 47 THR OG1 : rot -29:sc= 0.92 USER MOD Single : A 59 MET CE :methyl 143:sc= -17.8! (180deg=-21.8!) USER MOD Single : A 60 MET CE :methyl -126:sc= -5.32! (180deg=-7.66!) USER MOD Single : A 78 ASN : amide:sc= -1.95 X(o=-1.9,f=-2.2) USER MOD Single : A 87 CYS SG : rot 150:sc= -0.0233 USER MOD Single : A 88 HIS : no HE2:sc= -4.6! C(o=-4.6!,f=-6.8!) USER MOD Single : A 90 SER OG : rot 170:sc= 0 USER MOD Single : B 4 THR OG1 : rot -145:sc= 1.06 USER MOD Single : B 6 THR OG1 : rot -141:sc= 0.174 USER MOD Single : B 9 CYS SG : rot 52:sc= -1.63 USER MOD Single : B 18 GLN : amide:sc= -1.8 X(o=-1.8,f=-1.6) USER MOD Single : B 19 LYS NZ :NH3+ 164:sc= -0.0262 (180deg=-0.241) USER MOD Single : B 20 TYR OH : rot 180:sc= -1.23 USER MOD Single : B 29 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 THR OG1 : rot 180:sc= -0.612 USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 39 MET CE :methyl 177:sc= -11! (180deg=-11.1!) USER MOD Single : B 40 ASN : amide:sc= -0.376 X(o=-0.38,f=-0.44) USER MOD Single : B 41 THR OG1 : rot 180:sc= -1.1 USER MOD Single : B 47 THR OG1 : rot -28:sc= 0.899 USER MOD Single : B 59 MET CE :methyl 141:sc= -17.6! (180deg=-21.6!) USER MOD Single : B 60 MET CE :methyl -124:sc= -5.29! (180deg=-7.72!) USER MOD Single : B 78 ASN : amide:sc= -1.94 X(o=-1.9,f=-2) USER MOD Single : B 87 CYS SG : rot 150:sc= -0.0293 USER MOD Single : B 88 HIS : no HE2:sc= -4.7! C(o=-4.7!,f=-6.7!) USER MOD Single : B 90 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N THR A 4 8.796 -3.516 15.202 1.00 0.00 N ATOM 52 CA THR A 4 9.107 -2.199 14.653 1.00 0.00 C ATOM 53 C THR A 4 7.850 -1.496 14.169 1.00 0.00 C ATOM 54 O THR A 4 6.889 -2.126 13.729 1.00 0.00 O ATOM 55 CB THR A 4 10.126 -2.311 13.512 1.00 0.00 C ATOM 56 OG1 THR A 4 10.072 -1.167 12.680 1.00 0.00 O ATOM 57 CG2 THR A 4 9.927 -3.526 12.630 1.00 0.00 C ATOM 0 HA THR A 4 9.545 -1.602 15.453 1.00 0.00 H new ATOM 0 HB THR A 4 11.093 -2.403 14.006 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.335 -1.413 11.769 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.685 -3.535 11.847 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.015 -4.431 13.232 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.937 -3.488 12.176 1.00 0.00 H new ATOM 65 N GLU A 5 7.878 -0.175 14.261 1.00 0.00 N ATOM 66 CA GLU A 5 6.762 0.660 13.845 1.00 0.00 C ATOM 67 C GLU A 5 6.212 0.221 12.491 1.00 0.00 C ATOM 68 O GLU A 5 5.004 0.041 12.329 1.00 0.00 O ATOM 69 CB GLU A 5 7.226 2.109 13.788 1.00 0.00 C ATOM 70 CG GLU A 5 6.234 3.094 14.386 1.00 0.00 C ATOM 71 CD GLU A 5 6.246 3.085 15.902 1.00 0.00 C ATOM 72 OE1 GLU A 5 7.201 3.633 16.491 1.00 0.00 O ATOM 73 OE2 GLU A 5 5.301 2.530 16.501 1.00 0.00 O ATOM 0 H GLU A 5 8.674 0.348 14.626 1.00 0.00 H new ATOM 0 HA GLU A 5 5.954 0.558 14.570 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.175 2.198 14.316 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.412 2.381 12.749 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.465 4.098 14.030 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.231 2.854 14.033 1.00 0.00 H new ATOM 80 N THR A 6 7.105 0.039 11.524 1.00 0.00 N ATOM 81 CA THR A 6 6.705 -0.391 10.191 1.00 0.00 C ATOM 82 C THR A 6 6.103 -1.789 10.239 1.00 0.00 C ATOM 83 O THR A 6 5.149 -2.086 9.523 1.00 0.00 O ATOM 84 CB THR A 6 7.902 -0.369 9.239 1.00 0.00 C ATOM 85 OG1 THR A 6 8.733 0.748 9.501 1.00 0.00 O ATOM 86 CG2 THR A 6 7.504 -0.315 7.779 1.00 0.00 C ATOM 0 H THR A 6 8.108 0.182 11.639 1.00 0.00 H new ATOM 0 HA THR A 6 5.950 0.303 9.821 1.00 0.00 H new ATOM 0 HB THR A 6 8.432 -1.304 9.420 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.098 1.089 8.658 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.400 -0.302 7.158 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.905 -1.191 7.533 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.921 0.587 7.594 1.00 0.00 H new ATOM 94 N GLU A 7 6.663 -2.643 11.097 1.00 0.00 N ATOM 95 CA GLU A 7 6.183 -4.017 11.238 1.00 0.00 C ATOM 96 C GLU A 7 4.678 -4.041 11.471 1.00 0.00 C ATOM 97 O GLU A 7 3.971 -4.901 10.943 1.00 0.00 O ATOM 98 CB GLU A 7 6.903 -4.715 12.396 1.00 0.00 C ATOM 99 CG GLU A 7 7.731 -5.914 11.962 1.00 0.00 C ATOM 100 CD GLU A 7 6.992 -7.227 12.138 1.00 0.00 C ATOM 101 OE1 GLU A 7 5.744 -7.209 12.144 1.00 0.00 O ATOM 102 OE2 GLU A 7 7.663 -8.273 12.267 1.00 0.00 O ATOM 0 H GLU A 7 7.448 -2.407 11.704 1.00 0.00 H new ATOM 0 HA GLU A 7 6.399 -4.550 10.312 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.553 -3.996 12.895 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.165 -5.040 13.129 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.012 -5.797 10.915 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.655 -5.941 12.539 1.00 0.00 H new ATOM 109 N ARG A 8 4.191 -3.082 12.245 1.00 0.00 N ATOM 110 CA ARG A 8 2.767 -2.984 12.527 1.00 0.00 C ATOM 111 C ARG A 8 2.041 -2.347 11.345 1.00 0.00 C ATOM 112 O ARG A 8 0.855 -2.592 11.127 1.00 0.00 O ATOM 113 CB ARG A 8 2.531 -2.163 13.797 1.00 0.00 C ATOM 114 CG ARG A 8 1.763 -2.915 14.873 1.00 0.00 C ATOM 115 CD ARG A 8 2.291 -2.595 16.262 1.00 0.00 C ATOM 116 NE ARG A 8 1.719 -1.360 16.794 1.00 0.00 N ATOM 117 CZ ARG A 8 2.245 -0.676 17.807 1.00 0.00 C ATOM 118 NH1 ARG A 8 3.355 -1.100 18.399 1.00 0.00 N ATOM 119 NH2 ARG A 8 1.660 0.438 18.230 1.00 0.00 N ATOM 0 H ARG A 8 4.761 -2.361 12.688 1.00 0.00 H new ATOM 0 HA ARG A 8 2.372 -3.988 12.684 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.493 -1.849 14.201 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.984 -1.257 13.538 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.706 -2.655 14.816 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.838 -3.987 14.692 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.062 -3.420 16.936 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.377 -2.505 16.225 1.00 0.00 H new ATOM 0 HE ARG A 8 0.867 -1.001 16.364 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.810 -1.955 18.078 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.753 -0.571 19.175 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.808 0.769 17.779 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.063 0.962 19.006 1.00 0.00 H new ATOM 132 N CYS A 9 2.768 -1.529 10.586 1.00 0.00 N ATOM 133 CA CYS A 9 2.208 -0.851 9.423 1.00 0.00 C ATOM 134 C CYS A 9 1.903 -1.840 8.302 1.00 0.00 C ATOM 135 O CYS A 9 0.789 -1.879 7.782 1.00 0.00 O ATOM 136 CB CYS A 9 3.176 0.221 8.920 1.00 0.00 C ATOM 137 SG CYS A 9 3.616 1.460 10.162 1.00 0.00 S ATOM 0 H CYS A 9 3.751 -1.320 10.759 1.00 0.00 H new ATOM 0 HA CYS A 9 1.274 -0.379 9.727 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.086 -0.264 8.567 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.730 0.724 8.062 1.00 0.00 H new ATOM 0 HG CYS A 9 4.000 0.865 11.252 1.00 0.00 H new ATOM 143 N ILE A 10 2.899 -2.635 7.928 1.00 0.00 N ATOM 144 CA ILE A 10 2.735 -3.615 6.865 1.00 0.00 C ATOM 145 C ILE A 10 1.535 -4.521 7.119 1.00 0.00 C ATOM 146 O ILE A 10 0.645 -4.636 6.280 1.00 0.00 O ATOM 147 CB ILE A 10 3.993 -4.496 6.720 1.00 0.00 C ATOM 148 CG1 ILE A 10 5.244 -3.631 6.561 1.00 0.00 C ATOM 149 CG2 ILE A 10 3.846 -5.438 5.536 1.00 0.00 C ATOM 150 CD1 ILE A 10 6.167 -3.676 7.752 1.00 0.00 C ATOM 0 H ILE A 10 3.829 -2.619 8.347 1.00 0.00 H new ATOM 0 HA ILE A 10 2.573 -3.052 5.946 1.00 0.00 H new ATOM 0 HB ILE A 10 4.101 -5.091 7.627 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.791 -3.957 5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.941 -2.599 6.386 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.742 -6.053 5.447 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.978 -6.080 5.688 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.712 -4.857 4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.032 -3.039 7.567 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.638 -3.321 8.636 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.500 -4.701 7.916 1.00 0.00 H new ATOM 162 N GLU A 11 1.528 -5.176 8.273 1.00 0.00 N ATOM 163 CA GLU A 11 0.455 -6.098 8.631 1.00 0.00 C ATOM 164 C GLU A 11 -0.926 -5.464 8.498 1.00 0.00 C ATOM 165 O GLU A 11 -1.916 -6.164 8.285 1.00 0.00 O ATOM 166 CB GLU A 11 0.655 -6.608 10.058 1.00 0.00 C ATOM 167 CG GLU A 11 0.684 -8.123 10.155 1.00 0.00 C ATOM 168 CD GLU A 11 -0.257 -8.660 11.215 1.00 0.00 C ATOM 169 OE1 GLU A 11 -1.472 -8.383 11.126 1.00 0.00 O ATOM 170 OE2 GLU A 11 0.220 -9.358 12.134 1.00 0.00 O ATOM 0 H GLU A 11 2.257 -5.086 8.981 1.00 0.00 H new ATOM 0 HA GLU A 11 0.501 -6.931 7.930 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.589 -6.208 10.452 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.147 -6.226 10.689 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.417 -8.550 9.188 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.700 -8.449 10.378 1.00 0.00 H new ATOM 177 N SER A 12 -0.999 -4.149 8.644 1.00 0.00 N ATOM 178 CA SER A 12 -2.279 -3.455 8.560 1.00 0.00 C ATOM 179 C SER A 12 -2.860 -3.477 7.145 1.00 0.00 C ATOM 180 O SER A 12 -3.995 -3.904 6.950 1.00 0.00 O ATOM 181 CB SER A 12 -2.131 -2.009 9.040 1.00 0.00 C ATOM 182 OG SER A 12 -0.842 -1.774 9.576 1.00 0.00 O ATOM 0 H SER A 12 -0.196 -3.545 8.820 1.00 0.00 H new ATOM 0 HA SER A 12 -2.975 -3.987 9.208 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.311 -1.327 8.209 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.886 -1.796 9.797 1.00 0.00 H new ATOM 0 HG SER A 12 -0.669 -2.409 10.303 1.00 0.00 H new ATOM 188 N LEU A 13 -2.098 -2.994 6.165 1.00 0.00 N ATOM 189 CA LEU A 13 -2.571 -2.938 4.786 1.00 0.00 C ATOM 190 C LEU A 13 -2.728 -4.318 4.146 1.00 0.00 C ATOM 191 O LEU A 13 -3.551 -4.503 3.251 1.00 0.00 O ATOM 192 CB LEU A 13 -1.633 -2.071 3.963 1.00 0.00 C ATOM 193 CG LEU A 13 -2.057 -0.609 3.865 1.00 0.00 C ATOM 194 CD1 LEU A 13 -3.408 -0.496 3.187 1.00 0.00 C ATOM 195 CD2 LEU A 13 -2.124 0.035 5.235 1.00 0.00 C ATOM 0 H LEU A 13 -1.152 -2.637 6.302 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.568 -2.498 4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.635 -2.120 4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.562 -2.485 2.957 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.308 -0.086 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.697 0.553 3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.348 -0.916 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.152 -1.044 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.429 1.077 5.133 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.849 -0.496 5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.143 -0.011 5.707 1.00 0.00 H new ATOM 207 N ILE A 14 -1.960 -5.291 4.591 1.00 0.00 N ATOM 208 CA ILE A 14 -2.070 -6.624 4.041 1.00 0.00 C ATOM 209 C ILE A 14 -3.390 -7.243 4.418 1.00 0.00 C ATOM 210 O ILE A 14 -3.973 -8.009 3.662 1.00 0.00 O ATOM 211 CB ILE A 14 -1.002 -7.556 4.601 1.00 0.00 C ATOM 212 CG1 ILE A 14 0.368 -6.917 4.578 1.00 0.00 C ATOM 213 CG2 ILE A 14 -1.002 -8.851 3.837 1.00 0.00 C ATOM 214 CD1 ILE A 14 1.249 -7.458 5.667 1.00 0.00 C ATOM 0 H ILE A 14 -1.260 -5.185 5.325 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.962 -6.515 2.962 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.243 -7.759 5.645 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.836 -7.093 3.609 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.269 -5.838 4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.236 -9.513 4.242 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.978 -9.327 3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.791 -8.653 2.786 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.225 -6.975 5.619 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.793 -7.258 6.637 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.369 -8.534 5.537 1.00 0.00 H new ATOM 226 N ALA A 15 -3.814 -6.935 5.623 1.00 0.00 N ATOM 227 CA ALA A 15 -5.021 -7.492 6.178 1.00 0.00 C ATOM 228 C ALA A 15 -6.270 -6.798 5.665 1.00 0.00 C ATOM 229 O ALA A 15 -7.300 -7.444 5.471 1.00 0.00 O ATOM 230 CB ALA A 15 -4.904 -7.457 7.680 1.00 0.00 C ATOM 0 H ALA A 15 -3.328 -6.289 6.245 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.132 -8.526 5.852 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.807 -7.874 8.125 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.041 -8.045 7.992 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.779 -6.426 8.011 1.00 0.00 H new ATOM 236 N VAL A 16 -6.178 -5.499 5.388 1.00 0.00 N ATOM 237 CA VAL A 16 -7.310 -4.780 4.836 1.00 0.00 C ATOM 238 C VAL A 16 -7.809 -5.547 3.623 1.00 0.00 C ATOM 239 O VAL A 16 -9.008 -5.647 3.366 1.00 0.00 O ATOM 240 CB VAL A 16 -6.906 -3.365 4.394 1.00 0.00 C ATOM 241 CG1 VAL A 16 -6.327 -2.582 5.547 1.00 0.00 C ATOM 242 CG2 VAL A 16 -5.899 -3.439 3.269 1.00 0.00 C ATOM 0 H VAL A 16 -5.341 -4.935 5.536 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.084 -4.694 5.599 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.802 -2.852 4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.050 -1.584 5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.069 -2.501 6.341 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.443 -3.094 5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.620 -2.431 2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.012 -3.974 3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.338 -3.966 2.422 1.00 0.00 H new ATOM 252 N PHE A 17 -6.842 -6.103 2.893 1.00 0.00 N ATOM 253 CA PHE A 17 -7.125 -6.893 1.704 1.00 0.00 C ATOM 254 C PHE A 17 -7.584 -8.299 2.097 1.00 0.00 C ATOM 255 O PHE A 17 -8.684 -8.720 1.744 1.00 0.00 O ATOM 256 CB PHE A 17 -5.873 -6.946 0.816 1.00 0.00 C ATOM 257 CG PHE A 17 -5.770 -8.161 -0.067 1.00 0.00 C ATOM 258 CD1 PHE A 17 -6.512 -8.254 -1.233 1.00 0.00 C ATOM 259 CD2 PHE A 17 -4.922 -9.205 0.268 1.00 0.00 C ATOM 260 CE1 PHE A 17 -6.410 -9.367 -2.048 1.00 0.00 C ATOM 261 CE2 PHE A 17 -4.817 -10.319 -0.543 1.00 0.00 C ATOM 262 CZ PHE A 17 -5.562 -10.400 -1.702 1.00 0.00 C ATOM 0 H PHE A 17 -5.849 -6.017 3.110 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.932 -6.426 1.140 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.854 -6.056 0.187 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.991 -6.904 1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.177 -7.449 -1.509 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.336 -9.147 1.174 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.994 -9.428 -2.955 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.153 -11.126 -0.270 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.482 -11.270 -2.337 1.00 0.00 H new ATOM 272 N GLN A 18 -6.736 -9.018 2.835 1.00 0.00 N ATOM 273 CA GLN A 18 -7.056 -10.381 3.274 1.00 0.00 C ATOM 274 C GLN A 18 -8.439 -10.467 3.904 1.00 0.00 C ATOM 275 O GLN A 18 -9.110 -11.493 3.799 1.00 0.00 O ATOM 276 CB GLN A 18 -6.029 -10.879 4.293 1.00 0.00 C ATOM 277 CG GLN A 18 -4.598 -10.562 3.922 1.00 0.00 C ATOM 278 CD GLN A 18 -3.954 -11.661 3.115 1.00 0.00 C ATOM 279 OE1 GLN A 18 -3.000 -12.303 3.554 1.00 0.00 O ATOM 280 NE2 GLN A 18 -4.484 -11.879 1.921 1.00 0.00 N ATOM 0 H GLN A 18 -5.823 -8.681 3.142 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.034 -11.006 2.381 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.250 -10.435 5.264 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.135 -11.958 4.404 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.571 -9.633 3.352 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.019 -10.395 4.830 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.275 -11.318 1.604 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.101 -12.608 1.318 1.00 0.00 H new ATOM 289 N LYS A 19 -8.860 -9.404 4.574 1.00 0.00 N ATOM 290 CA LYS A 19 -10.161 -9.403 5.226 1.00 0.00 C ATOM 291 C LYS A 19 -11.274 -9.666 4.218 1.00 0.00 C ATOM 292 O LYS A 19 -12.090 -10.569 4.405 1.00 0.00 O ATOM 293 CB LYS A 19 -10.397 -8.063 5.925 1.00 0.00 C ATOM 294 CG LYS A 19 -11.552 -8.083 6.911 1.00 0.00 C ATOM 295 CD LYS A 19 -11.195 -8.855 8.172 1.00 0.00 C ATOM 296 CE LYS A 19 -10.225 -8.076 9.046 1.00 0.00 C ATOM 297 NZ LYS A 19 -10.856 -6.861 9.633 1.00 0.00 N ATOM 0 H LYS A 19 -8.327 -8.541 4.680 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.172 -10.202 5.967 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.487 -7.772 6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.588 -7.299 5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.825 -7.061 7.174 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.425 -8.535 6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.102 -9.071 8.737 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.753 -9.813 7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.862 -8.719 9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.358 -7.784 8.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.271 -6.512 10.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.933 -6.123 8.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.805 -7.099 9.986 1.00 0.00 H new ATOM 311 N TYR A 20 -11.286 -8.897 3.136 1.00 0.00 N ATOM 312 CA TYR A 20 -12.279 -9.078 2.089 1.00 0.00 C ATOM 313 C TYR A 20 -11.865 -10.216 1.173 1.00 0.00 C ATOM 314 O TYR A 20 -12.653 -11.103 0.844 1.00 0.00 O ATOM 315 CB TYR A 20 -12.475 -7.781 1.304 1.00 0.00 C ATOM 316 CG TYR A 20 -13.703 -7.009 1.732 1.00 0.00 C ATOM 317 CD1 TYR A 20 -13.883 -6.635 3.058 1.00 0.00 C ATOM 318 CD2 TYR A 20 -14.685 -6.661 0.814 1.00 0.00 C ATOM 319 CE1 TYR A 20 -15.007 -5.934 3.456 1.00 0.00 C ATOM 320 CE2 TYR A 20 -15.810 -5.961 1.204 1.00 0.00 C ATOM 321 CZ TYR A 20 -15.967 -5.600 2.524 1.00 0.00 C ATOM 322 OH TYR A 20 -17.088 -4.904 2.916 1.00 0.00 O ATOM 0 H TYR A 20 -10.620 -8.144 2.962 1.00 0.00 H new ATOM 0 HA TYR A 20 -13.234 -9.336 2.547 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -11.595 -7.151 1.430 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -12.551 -8.014 0.242 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.133 -6.896 3.790 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -14.567 -6.942 -0.222 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.132 -5.650 4.490 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -16.564 -5.698 0.477 1.00 0.00 H new ATOM 0 HH TYR A 20 -17.664 -4.747 2.139 1.00 0.00 H new ATOM 332 N ALA A 21 -10.603 -10.160 0.770 1.00 0.00 N ATOM 333 CA ALA A 21 -10.008 -11.149 -0.112 1.00 0.00 C ATOM 334 C ALA A 21 -10.021 -12.545 0.507 1.00 0.00 C ATOM 335 O ALA A 21 -9.853 -13.544 -0.192 1.00 0.00 O ATOM 336 CB ALA A 21 -8.591 -10.716 -0.442 1.00 0.00 C ATOM 0 H ALA A 21 -9.960 -9.420 1.050 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.600 -11.209 -1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.131 -11.450 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.613 -9.745 -0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.010 -10.642 0.477 1.00 0.00 H new ATOM 342 N GLY A 22 -10.220 -12.611 1.820 1.00 0.00 N ATOM 343 CA GLY A 22 -10.248 -13.891 2.501 1.00 0.00 C ATOM 344 C GLY A 22 -11.538 -14.649 2.258 1.00 0.00 C ATOM 345 O GLY A 22 -12.613 -14.053 2.181 1.00 0.00 O ATOM 0 H GLY A 22 -10.362 -11.801 2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.406 -14.496 2.165 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.120 -13.732 3.572 1.00 0.00 H new ATOM 419 N VAL A 28 -6.540 -15.881 -3.583 1.00 0.00 N ATOM 420 CA VAL A 28 -5.463 -14.902 -3.506 1.00 0.00 C ATOM 421 C VAL A 28 -5.802 -13.638 -4.294 1.00 0.00 C ATOM 422 O VAL A 28 -4.912 -12.909 -4.730 1.00 0.00 O ATOM 423 CB VAL A 28 -4.137 -15.490 -4.030 1.00 0.00 C ATOM 424 CG1 VAL A 28 -4.238 -15.818 -5.512 1.00 0.00 C ATOM 425 CG2 VAL A 28 -2.984 -14.534 -3.764 1.00 0.00 C ATOM 0 HA VAL A 28 -5.346 -14.641 -2.454 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.940 -16.418 -3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.291 -16.231 -5.859 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.032 -16.548 -5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.464 -14.910 -6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.058 -14.967 -4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.173 -13.587 -4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.894 -14.362 -2.691 1.00 0.00 H new ATOM 435 N THR A 29 -7.095 -13.381 -4.474 1.00 0.00 N ATOM 436 CA THR A 29 -7.543 -12.205 -5.207 1.00 0.00 C ATOM 437 C THR A 29 -8.807 -11.618 -4.598 1.00 0.00 C ATOM 438 O THR A 29 -9.625 -12.332 -4.017 1.00 0.00 O ATOM 439 CB THR A 29 -7.790 -12.548 -6.670 1.00 0.00 C ATOM 440 OG1 THR A 29 -8.417 -13.812 -6.797 1.00 0.00 O ATOM 441 CG2 THR A 29 -6.523 -12.573 -7.490 1.00 0.00 C ATOM 0 H THR A 29 -7.848 -13.972 -4.122 1.00 0.00 H new ATOM 0 HA THR A 29 -6.752 -11.458 -5.141 1.00 0.00 H new ATOM 0 HB THR A 29 -8.437 -11.757 -7.049 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.567 -14.009 -7.745 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.763 -12.823 -8.523 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.048 -11.593 -7.455 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.842 -13.321 -7.085 1.00 0.00 H new ATOM 449 N LEU A 30 -8.961 -10.311 -4.753 1.00 0.00 N ATOM 450 CA LEU A 30 -10.130 -9.608 -4.238 1.00 0.00 C ATOM 451 C LEU A 30 -11.042 -9.198 -5.392 1.00 0.00 C ATOM 452 O LEU A 30 -11.047 -9.849 -6.432 1.00 0.00 O ATOM 453 CB LEU A 30 -9.704 -8.376 -3.425 1.00 0.00 C ATOM 454 CG LEU A 30 -10.597 -8.012 -2.223 1.00 0.00 C ATOM 455 CD1 LEU A 30 -10.992 -6.545 -2.276 1.00 0.00 C ATOM 456 CD2 LEU A 30 -11.842 -8.892 -2.156 1.00 0.00 C ATOM 0 H LEU A 30 -8.289 -9.713 -5.233 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.679 -10.279 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.690 -8.540 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.667 -7.518 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.015 -8.190 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.622 -6.307 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.095 -5.926 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.542 -6.349 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.445 -8.604 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.426 -8.765 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.545 -9.936 -2.058 1.00 0.00 H new ATOM 468 N SER A 31 -11.806 -8.122 -5.220 1.00 0.00 N ATOM 469 CA SER A 31 -12.701 -7.658 -6.266 1.00 0.00 C ATOM 470 C SER A 31 -12.858 -6.145 -6.221 1.00 0.00 C ATOM 471 O SER A 31 -12.817 -5.531 -5.155 1.00 0.00 O ATOM 472 CB SER A 31 -14.069 -8.323 -6.127 1.00 0.00 C ATOM 473 OG SER A 31 -13.948 -9.639 -5.616 1.00 0.00 O ATOM 0 H SER A 31 -11.820 -7.560 -4.369 1.00 0.00 H new ATOM 0 HA SER A 31 -12.264 -7.932 -7.226 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.700 -7.729 -5.465 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.563 -8.351 -7.098 1.00 0.00 H new ATOM 0 HG SER A 31 -14.840 -10.009 -5.451 1.00 0.00 H new ATOM 479 N LYS A 32 -13.046 -5.554 -7.393 1.00 0.00 N ATOM 480 CA LYS A 32 -13.221 -4.110 -7.512 1.00 0.00 C ATOM 481 C LYS A 32 -14.334 -3.626 -6.600 1.00 0.00 C ATOM 482 O LYS A 32 -14.194 -2.613 -5.914 1.00 0.00 O ATOM 483 CB LYS A 32 -13.541 -3.727 -8.960 1.00 0.00 C ATOM 484 CG LYS A 32 -12.762 -4.520 -9.997 1.00 0.00 C ATOM 485 CD LYS A 32 -13.599 -5.644 -10.588 1.00 0.00 C ATOM 486 CE LYS A 32 -12.723 -6.739 -11.177 1.00 0.00 C ATOM 487 NZ LYS A 32 -13.460 -8.026 -11.316 1.00 0.00 N ATOM 0 H LYS A 32 -13.082 -6.055 -8.281 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.288 -3.633 -7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.607 -3.869 -9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -13.334 -2.666 -9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.433 -3.853 -10.794 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.865 -4.936 -9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.241 -6.066 -9.815 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.253 -5.244 -11.362 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.356 -6.424 -12.154 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.850 -6.887 -10.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.828 -8.746 -11.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.789 -8.340 -10.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.278 -7.891 -11.944 1.00 0.00 H new ATOM 501 N THR A 33 -15.442 -4.351 -6.601 1.00 0.00 N ATOM 502 CA THR A 33 -16.575 -3.995 -5.781 1.00 0.00 C ATOM 503 C THR A 33 -16.324 -4.322 -4.321 1.00 0.00 C ATOM 504 O THR A 33 -16.743 -3.582 -3.434 1.00 0.00 O ATOM 505 CB THR A 33 -17.821 -4.701 -6.283 1.00 0.00 C ATOM 506 OG1 THR A 33 -18.381 -4.025 -7.395 1.00 0.00 O ATOM 507 CG2 THR A 33 -18.888 -4.828 -5.230 1.00 0.00 C ATOM 0 H THR A 33 -15.575 -5.191 -7.165 1.00 0.00 H new ATOM 0 HA THR A 33 -16.725 -2.918 -5.855 1.00 0.00 H new ATOM 0 HB THR A 33 -17.491 -5.700 -6.569 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.181 -4.502 -7.699 1.00 0.00 H new ATOM 0 HG21 THR A 33 -19.754 -5.341 -5.649 1.00 0.00 H new ATOM 0 HG22 THR A 33 -18.501 -5.400 -4.387 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.184 -3.835 -4.890 1.00 0.00 H new ATOM 515 N GLU A 34 -15.632 -5.424 -4.065 1.00 0.00 N ATOM 516 CA GLU A 34 -15.336 -5.803 -2.694 1.00 0.00 C ATOM 517 C GLU A 34 -14.633 -4.646 -2.003 1.00 0.00 C ATOM 518 O GLU A 34 -14.791 -4.429 -0.803 1.00 0.00 O ATOM 519 CB GLU A 34 -14.469 -7.061 -2.658 1.00 0.00 C ATOM 520 CG GLU A 34 -15.224 -8.292 -2.187 1.00 0.00 C ATOM 521 CD GLU A 34 -15.311 -9.368 -3.253 1.00 0.00 C ATOM 522 OE1 GLU A 34 -15.987 -9.135 -4.277 1.00 0.00 O ATOM 523 OE2 GLU A 34 -14.705 -10.443 -3.063 1.00 0.00 O ATOM 0 H GLU A 34 -15.271 -6.060 -4.776 1.00 0.00 H new ATOM 0 HA GLU A 34 -16.265 -6.027 -2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.068 -7.247 -3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -13.618 -6.890 -1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -14.732 -8.700 -1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.231 -8.003 -1.885 1.00 0.00 H new ATOM 530 N PHE A 35 -13.888 -3.882 -2.794 1.00 0.00 N ATOM 531 CA PHE A 35 -13.191 -2.714 -2.290 1.00 0.00 C ATOM 532 C PHE A 35 -14.143 -1.531 -2.198 1.00 0.00 C ATOM 533 O PHE A 35 -14.187 -0.838 -1.182 1.00 0.00 O ATOM 534 CB PHE A 35 -12.001 -2.352 -3.169 1.00 0.00 C ATOM 535 CG PHE A 35 -11.028 -1.482 -2.440 1.00 0.00 C ATOM 536 CD1 PHE A 35 -11.421 -0.241 -1.976 1.00 0.00 C ATOM 537 CD2 PHE A 35 -9.738 -1.910 -2.191 1.00 0.00 C ATOM 538 CE1 PHE A 35 -10.547 0.560 -1.281 1.00 0.00 C ATOM 539 CE2 PHE A 35 -8.857 -1.112 -1.490 1.00 0.00 C ATOM 540 CZ PHE A 35 -9.263 0.127 -1.034 1.00 0.00 C ATOM 0 H PHE A 35 -13.754 -4.055 -3.790 1.00 0.00 H new ATOM 0 HA PHE A 35 -12.817 -2.956 -1.295 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -11.501 -3.262 -3.499 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -12.351 -1.838 -4.064 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -12.428 0.104 -2.162 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -9.416 -2.877 -2.548 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -10.867 1.529 -0.928 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.851 -1.456 -1.298 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.576 0.754 -0.486 1.00 0.00 H new ATOM 550 N LEU A 36 -14.907 -1.296 -3.266 1.00 0.00 N ATOM 551 CA LEU A 36 -15.843 -0.192 -3.286 1.00 0.00 C ATOM 552 C LEU A 36 -16.917 -0.386 -2.219 1.00 0.00 C ATOM 553 O LEU A 36 -17.451 0.583 -1.679 1.00 0.00 O ATOM 554 CB LEU A 36 -16.432 -0.050 -4.688 1.00 0.00 C ATOM 555 CG LEU A 36 -17.704 -0.828 -4.981 1.00 0.00 C ATOM 556 CD1 LEU A 36 -18.933 0.021 -4.698 1.00 0.00 C ATOM 557 CD2 LEU A 36 -17.667 -1.272 -6.429 1.00 0.00 C ATOM 0 H LEU A 36 -14.890 -1.856 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 36 -15.327 0.738 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -16.632 1.007 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -15.673 -0.357 -5.408 1.00 0.00 H new ATOM 0 HG LEU A 36 -17.764 -1.702 -4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -19.832 -0.556 -4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -18.937 0.318 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -18.913 0.911 -5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -18.572 -1.833 -6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -17.607 -0.397 -7.076 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -16.795 -1.906 -6.593 1.00 0.00 H new ATOM 569 N SER A 37 -17.198 -1.643 -1.890 1.00 0.00 N ATOM 570 CA SER A 37 -18.170 -1.963 -0.854 1.00 0.00 C ATOM 571 C SER A 37 -17.512 -1.845 0.519 1.00 0.00 C ATOM 572 O SER A 37 -18.170 -1.553 1.518 1.00 0.00 O ATOM 573 CB SER A 37 -18.722 -3.376 -1.054 1.00 0.00 C ATOM 574 OG SER A 37 -19.855 -3.367 -1.905 1.00 0.00 O ATOM 0 H SER A 37 -16.765 -2.456 -2.327 1.00 0.00 H new ATOM 0 HA SER A 37 -18.999 -1.259 -0.918 1.00 0.00 H new ATOM 0 HB2 SER A 37 -17.948 -4.015 -1.480 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.992 -3.804 -0.089 1.00 0.00 H new ATOM 0 HG SER A 37 -20.187 -4.282 -2.018 1.00 0.00 H new ATOM 580 N PHE A 38 -16.200 -2.075 0.547 1.00 0.00 N ATOM 581 CA PHE A 38 -15.418 -1.999 1.776 1.00 0.00 C ATOM 582 C PHE A 38 -15.518 -0.612 2.402 1.00 0.00 C ATOM 583 O PHE A 38 -15.878 -0.470 3.570 1.00 0.00 O ATOM 584 CB PHE A 38 -13.953 -2.327 1.474 1.00 0.00 C ATOM 585 CG PHE A 38 -13.137 -2.679 2.686 1.00 0.00 C ATOM 586 CD1 PHE A 38 -12.914 -1.744 3.684 1.00 0.00 C ATOM 587 CD2 PHE A 38 -12.588 -3.944 2.822 1.00 0.00 C ATOM 588 CE1 PHE A 38 -12.159 -2.065 4.796 1.00 0.00 C ATOM 589 CE2 PHE A 38 -11.832 -4.270 3.931 1.00 0.00 C ATOM 590 CZ PHE A 38 -11.616 -3.329 4.919 1.00 0.00 C ATOM 0 H PHE A 38 -15.653 -2.318 -0.279 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.818 -2.724 2.485 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.916 -3.159 0.771 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -13.496 -1.471 0.978 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -13.335 -0.754 3.592 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -12.753 -4.683 2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.994 -1.328 5.568 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.410 -5.260 4.026 1.00 0.00 H new ATOM 0 HZ PHE A 38 -11.024 -3.581 5.786 1.00 0.00 H new ATOM 600 N MET A 39 -15.191 0.412 1.618 1.00 0.00 N ATOM 601 CA MET A 39 -15.240 1.788 2.094 1.00 0.00 C ATOM 602 C MET A 39 -16.564 2.093 2.790 1.00 0.00 C ATOM 603 O MET A 39 -16.626 2.924 3.694 1.00 0.00 O ATOM 604 CB MET A 39 -15.023 2.755 0.929 1.00 0.00 C ATOM 605 CG MET A 39 -13.791 2.433 0.096 1.00 0.00 C ATOM 606 SD MET A 39 -12.861 3.904 -0.375 1.00 0.00 S ATOM 607 CE MET A 39 -11.688 4.016 0.975 1.00 0.00 C ATOM 0 H MET A 39 -14.889 0.313 0.649 1.00 0.00 H new ATOM 0 HA MET A 39 -14.441 1.918 2.824 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.902 2.739 0.285 1.00 0.00 H new ATOM 0 HB3 MET A 39 -14.933 3.768 1.320 1.00 0.00 H new ATOM 0 HG2 MET A 39 -13.142 1.764 0.660 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.096 1.898 -0.804 1.00 0.00 H new ATOM 0 HE1 MET A 39 -11.030 4.870 0.815 1.00 0.00 H new ATOM 0 HE2 MET A 39 -12.226 4.143 1.915 1.00 0.00 H new ATOM 0 HE3 MET A 39 -11.094 3.103 1.018 1.00 0.00 H new ATOM 617 N ASN A 40 -17.620 1.419 2.360 1.00 0.00 N ATOM 618 CA ASN A 40 -18.943 1.619 2.936 1.00 0.00 C ATOM 619 C ASN A 40 -19.067 0.997 4.328 1.00 0.00 C ATOM 620 O ASN A 40 -19.975 1.342 5.085 1.00 0.00 O ATOM 621 CB ASN A 40 -20.014 1.035 2.013 1.00 0.00 C ATOM 622 CG ASN A 40 -20.193 1.850 0.747 1.00 0.00 C ATOM 623 OD1 ASN A 40 -21.022 2.758 0.693 1.00 0.00 O ATOM 624 ND2 ASN A 40 -19.415 1.527 -0.279 1.00 0.00 N ATOM 0 H ASN A 40 -17.587 0.726 1.612 1.00 0.00 H new ATOM 0 HA ASN A 40 -19.090 2.694 3.039 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -19.744 0.013 1.749 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -20.963 0.986 2.547 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -19.491 2.039 -1.158 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -18.741 0.766 -0.189 1.00 0.00 H new ATOM 631 N THR A 41 -18.179 0.059 4.658 1.00 0.00 N ATOM 632 CA THR A 41 -18.246 -0.615 5.955 1.00 0.00 C ATOM 633 C THR A 41 -17.175 -0.144 6.941 1.00 0.00 C ATOM 634 O THR A 41 -17.486 0.157 8.093 1.00 0.00 O ATOM 635 CB THR A 41 -18.138 -2.134 5.777 1.00 0.00 C ATOM 636 OG1 THR A 41 -17.840 -2.764 7.010 1.00 0.00 O ATOM 637 CG2 THR A 41 -17.082 -2.559 4.781 1.00 0.00 C ATOM 0 H THR A 41 -17.415 -0.248 4.055 1.00 0.00 H new ATOM 0 HA THR A 41 -19.215 -0.351 6.380 1.00 0.00 H new ATOM 0 HB THR A 41 -19.112 -2.442 5.396 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.777 -3.733 6.876 1.00 0.00 H new ATOM 0 HG21 THR A 41 -17.066 -3.647 4.710 1.00 0.00 H new ATOM 0 HG22 THR A 41 -17.312 -2.135 3.804 1.00 0.00 H new ATOM 0 HG23 THR A 41 -16.106 -2.202 5.111 1.00 0.00 H new ATOM 645 N GLU A 42 -15.915 -0.129 6.517 1.00 0.00 N ATOM 646 CA GLU A 42 -14.832 0.256 7.421 1.00 0.00 C ATOM 647 C GLU A 42 -13.923 1.344 6.845 1.00 0.00 C ATOM 648 O GLU A 42 -13.120 1.928 7.572 1.00 0.00 O ATOM 649 CB GLU A 42 -13.999 -0.980 7.779 1.00 0.00 C ATOM 650 CG GLU A 42 -14.822 -2.253 7.944 1.00 0.00 C ATOM 651 CD GLU A 42 -15.184 -2.529 9.391 1.00 0.00 C ATOM 652 OE1 GLU A 42 -15.991 -1.761 9.957 1.00 0.00 O ATOM 653 OE2 GLU A 42 -14.662 -3.512 9.956 1.00 0.00 O ATOM 0 H GLU A 42 -15.620 -0.374 5.572 1.00 0.00 H new ATOM 0 HA GLU A 42 -15.297 0.676 8.313 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.252 -1.140 7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.458 -0.786 8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.735 -2.170 7.354 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.261 -3.098 7.546 1.00 0.00 H new ATOM 660 N LEU A 43 -14.042 1.621 5.554 1.00 0.00 N ATOM 661 CA LEU A 43 -13.220 2.645 4.923 1.00 0.00 C ATOM 662 C LEU A 43 -14.096 3.768 4.385 1.00 0.00 C ATOM 663 O LEU A 43 -13.938 4.215 3.251 1.00 0.00 O ATOM 664 CB LEU A 43 -12.367 2.034 3.804 1.00 0.00 C ATOM 665 CG LEU A 43 -10.916 1.727 4.180 1.00 0.00 C ATOM 666 CD1 LEU A 43 -10.119 1.328 2.948 1.00 0.00 C ATOM 667 CD2 LEU A 43 -10.278 2.926 4.865 1.00 0.00 C ATOM 0 H LEU A 43 -14.696 1.154 4.926 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.548 3.064 5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.842 1.111 3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.368 2.717 2.955 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.910 0.890 4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.089 1.113 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.563 0.440 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.132 2.145 2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.246 2.690 5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.295 3.782 4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.835 3.166 5.771 1.00 0.00 H new ATOM 679 N ALA A 44 -15.028 4.215 5.219 1.00 0.00 N ATOM 680 CA ALA A 44 -15.943 5.282 4.847 1.00 0.00 C ATOM 681 C ALA A 44 -15.303 6.648 5.058 1.00 0.00 C ATOM 682 O ALA A 44 -15.602 7.601 4.340 1.00 0.00 O ATOM 683 CB ALA A 44 -17.229 5.161 5.646 1.00 0.00 C ATOM 0 H ALA A 44 -15.168 3.851 6.162 1.00 0.00 H new ATOM 0 HA ALA A 44 -16.177 5.186 3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.910 5.963 5.363 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.696 4.198 5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.005 5.235 6.710 1.00 0.00 H new ATOM 689 N ALA A 45 -14.413 6.734 6.042 1.00 0.00 N ATOM 690 CA ALA A 45 -13.723 7.984 6.339 1.00 0.00 C ATOM 691 C ALA A 45 -13.032 8.531 5.094 1.00 0.00 C ATOM 692 O ALA A 45 -12.816 9.737 4.969 1.00 0.00 O ATOM 693 CB ALA A 45 -12.715 7.774 7.459 1.00 0.00 C ATOM 0 H ALA A 45 -14.153 5.954 6.646 1.00 0.00 H new ATOM 0 HA ALA A 45 -14.462 8.716 6.665 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.206 8.714 7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.233 7.431 8.355 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.983 7.026 7.154 1.00 0.00 H new ATOM 699 N PHE A 46 -12.693 7.633 4.173 1.00 0.00 N ATOM 700 CA PHE A 46 -12.031 8.018 2.932 1.00 0.00 C ATOM 701 C PHE A 46 -13.042 8.152 1.795 1.00 0.00 C ATOM 702 O PHE A 46 -12.686 8.051 0.621 1.00 0.00 O ATOM 703 CB PHE A 46 -10.966 6.985 2.560 1.00 0.00 C ATOM 704 CG PHE A 46 -9.700 7.109 3.357 1.00 0.00 C ATOM 705 CD1 PHE A 46 -9.707 6.924 4.730 1.00 0.00 C ATOM 706 CD2 PHE A 46 -8.500 7.412 2.732 1.00 0.00 C ATOM 707 CE1 PHE A 46 -8.543 7.036 5.466 1.00 0.00 C ATOM 708 CE2 PHE A 46 -7.333 7.526 3.462 1.00 0.00 C ATOM 709 CZ PHE A 46 -7.353 7.338 4.831 1.00 0.00 C ATOM 0 H PHE A 46 -12.867 6.632 4.264 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.554 8.986 3.087 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.377 5.985 2.701 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.729 7.086 1.501 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -10.634 6.689 5.231 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.478 7.561 1.662 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.563 6.888 6.536 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.405 7.762 2.963 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.441 7.427 5.403 1.00 0.00 H new ATOM 719 N THR A 47 -14.305 8.374 2.150 1.00 0.00 N ATOM 720 CA THR A 47 -15.365 8.516 1.157 1.00 0.00 C ATOM 721 C THR A 47 -16.441 9.489 1.633 1.00 0.00 C ATOM 722 O THR A 47 -16.953 10.289 0.850 1.00 0.00 O ATOM 723 CB THR A 47 -15.989 7.154 0.852 1.00 0.00 C ATOM 724 OG1 THR A 47 -16.770 6.704 1.945 1.00 0.00 O ATOM 725 CG2 THR A 47 -14.966 6.083 0.545 1.00 0.00 C ATOM 0 H THR A 47 -14.619 8.459 3.117 1.00 0.00 H new ATOM 0 HA THR A 47 -14.921 8.919 0.247 1.00 0.00 H new ATOM 0 HB THR A 47 -16.604 7.310 -0.034 1.00 0.00 H new ATOM 0 HG1 THR A 47 -16.404 7.065 2.779 1.00 0.00 H new ATOM 0 HG21 THR A 47 -15.475 5.142 0.338 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.380 6.378 -0.326 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.304 5.956 1.401 1.00 0.00 H new ATOM 841 N VAL A 55 -10.304 10.220 -5.707 1.00 0.00 N ATOM 842 CA VAL A 55 -9.543 9.295 -4.868 1.00 0.00 C ATOM 843 C VAL A 55 -10.074 7.876 -5.020 1.00 0.00 C ATOM 844 O VAL A 55 -9.316 6.933 -5.249 1.00 0.00 O ATOM 845 CB VAL A 55 -9.556 9.708 -3.362 1.00 0.00 C ATOM 846 CG1 VAL A 55 -10.136 11.099 -3.174 1.00 0.00 C ATOM 847 CG2 VAL A 55 -10.317 8.712 -2.493 1.00 0.00 C ATOM 0 HA VAL A 55 -8.509 9.336 -5.211 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.515 9.710 -3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.130 11.355 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.534 11.822 -3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.160 11.120 -3.547 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.297 9.045 -1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.351 8.648 -2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.848 7.731 -2.569 1.00 0.00 H new ATOM 857 N LEU A 56 -11.382 7.739 -4.879 1.00 0.00 N ATOM 858 CA LEU A 56 -12.039 6.450 -4.984 1.00 0.00 C ATOM 859 C LEU A 56 -11.996 5.929 -6.419 1.00 0.00 C ATOM 860 O LEU A 56 -11.588 4.797 -6.668 1.00 0.00 O ATOM 861 CB LEU A 56 -13.482 6.598 -4.499 1.00 0.00 C ATOM 862 CG LEU A 56 -14.459 5.519 -4.964 1.00 0.00 C ATOM 863 CD1 LEU A 56 -14.268 4.248 -4.158 1.00 0.00 C ATOM 864 CD2 LEU A 56 -15.883 6.027 -4.846 1.00 0.00 C ATOM 0 H LEU A 56 -12.015 8.516 -4.689 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.517 5.722 -4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -13.478 6.612 -3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.858 7.567 -4.829 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.260 5.286 -6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.972 3.490 -4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.249 3.884 -4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -14.446 4.456 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -16.574 5.253 -5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.094 6.279 -3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -16.005 6.914 -5.467 1.00 0.00 H new ATOM 876 N ASP A 57 -12.420 6.765 -7.355 1.00 0.00 N ATOM 877 CA ASP A 57 -12.435 6.397 -8.767 1.00 0.00 C ATOM 878 C ASP A 57 -11.029 6.084 -9.271 1.00 0.00 C ATOM 879 O ASP A 57 -10.856 5.291 -10.198 1.00 0.00 O ATOM 880 CB ASP A 57 -13.047 7.524 -9.600 1.00 0.00 C ATOM 881 CG ASP A 57 -13.725 7.013 -10.857 1.00 0.00 C ATOM 882 OD1 ASP A 57 -14.350 5.933 -10.796 1.00 0.00 O ATOM 883 OD2 ASP A 57 -13.631 7.692 -11.901 1.00 0.00 O ATOM 0 H ASP A 57 -12.760 7.707 -7.163 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.044 5.499 -8.873 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.773 8.067 -8.994 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.267 8.234 -9.875 1.00 0.00 H new ATOM 888 N ARG A 58 -10.027 6.710 -8.662 1.00 0.00 N ATOM 889 CA ARG A 58 -8.639 6.494 -9.057 1.00 0.00 C ATOM 890 C ARG A 58 -8.259 5.024 -8.922 1.00 0.00 C ATOM 891 O ARG A 58 -7.483 4.497 -9.720 1.00 0.00 O ATOM 892 CB ARG A 58 -7.700 7.351 -8.206 1.00 0.00 C ATOM 893 CG ARG A 58 -7.142 8.560 -8.941 1.00 0.00 C ATOM 894 CD ARG A 58 -6.468 9.532 -7.985 1.00 0.00 C ATOM 895 NE ARG A 58 -5.057 9.730 -8.310 1.00 0.00 N ATOM 896 CZ ARG A 58 -4.628 10.331 -9.418 1.00 0.00 C ATOM 897 NH1 ARG A 58 -5.497 10.789 -10.312 1.00 0.00 N ATOM 898 NH2 ARG A 58 -3.328 10.474 -9.633 1.00 0.00 N ATOM 0 H ARG A 58 -10.150 7.370 -7.894 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.538 6.786 -10.102 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.236 7.691 -7.320 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.872 6.733 -7.860 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.424 8.231 -9.693 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.947 9.069 -9.471 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.986 10.491 -8.018 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.556 9.157 -6.965 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.360 9.388 -7.649 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.498 10.681 -10.151 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.163 11.249 -11.159 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.657 10.124 -8.950 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.999 10.934 -10.482 1.00 0.00 H new ATOM 911 N MET A 59 -8.803 4.370 -7.904 1.00 0.00 N ATOM 912 CA MET A 59 -8.512 2.963 -7.661 1.00 0.00 C ATOM 913 C MET A 59 -9.084 2.084 -8.768 1.00 0.00 C ATOM 914 O MET A 59 -8.370 1.283 -9.368 1.00 0.00 O ATOM 915 CB MET A 59 -9.064 2.538 -6.290 1.00 0.00 C ATOM 916 CG MET A 59 -10.478 1.956 -6.312 1.00 0.00 C ATOM 917 SD MET A 59 -11.007 1.345 -4.700 1.00 0.00 S ATOM 918 CE MET A 59 -10.194 2.525 -3.636 1.00 0.00 C ATOM 0 H MET A 59 -9.447 4.790 -7.234 1.00 0.00 H new ATOM 0 HA MET A 59 -7.430 2.832 -7.660 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.390 1.798 -5.858 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.054 3.404 -5.628 1.00 0.00 H new ATOM 0 HG2 MET A 59 -11.176 2.721 -6.652 1.00 0.00 H new ATOM 0 HG3 MET A 59 -10.520 1.142 -7.036 1.00 0.00 H new ATOM 0 HE1 MET A 59 -10.837 2.752 -2.786 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.254 2.105 -3.278 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.993 3.440 -4.194 1.00 0.00 H new ATOM 928 N MET A 60 -10.374 2.238 -9.029 1.00 0.00 N ATOM 929 CA MET A 60 -11.044 1.450 -10.057 1.00 0.00 C ATOM 930 C MET A 60 -10.476 1.745 -11.438 1.00 0.00 C ATOM 931 O MET A 60 -10.579 0.925 -12.351 1.00 0.00 O ATOM 932 CB MET A 60 -12.546 1.724 -10.020 1.00 0.00 C ATOM 933 CG MET A 60 -13.141 1.552 -8.632 1.00 0.00 C ATOM 934 SD MET A 60 -13.631 -0.148 -8.294 1.00 0.00 S ATOM 935 CE MET A 60 -12.095 -0.804 -7.653 1.00 0.00 C ATOM 0 H MET A 60 -10.979 2.901 -8.544 1.00 0.00 H new ATOM 0 HA MET A 60 -10.870 0.394 -9.851 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.734 2.740 -10.368 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.051 1.051 -10.713 1.00 0.00 H new ATOM 0 HG2 MET A 60 -12.413 1.871 -7.886 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.009 2.204 -8.529 1.00 0.00 H new ATOM 0 HE1 MET A 60 -11.817 -1.695 -8.216 1.00 0.00 H new ATOM 0 HE2 MET A 60 -11.310 -0.054 -7.750 1.00 0.00 H new ATOM 0 HE3 MET A 60 -12.221 -1.064 -6.602 1.00 0.00 H new ATOM 1083 N GLN A 70 -9.839 -10.437 -11.652 1.00 0.00 N ATOM 1084 CA GLN A 70 -9.923 -10.296 -10.202 1.00 0.00 C ATOM 1085 C GLN A 70 -8.758 -9.480 -9.663 1.00 0.00 C ATOM 1086 O GLN A 70 -7.709 -9.397 -10.300 1.00 0.00 O ATOM 1087 CB GLN A 70 -9.949 -11.674 -9.534 1.00 0.00 C ATOM 1088 CG GLN A 70 -11.354 -12.202 -9.290 1.00 0.00 C ATOM 1089 CD GLN A 70 -12.061 -11.447 -8.188 1.00 0.00 C ATOM 1090 OE1 GLN A 70 -12.512 -10.236 -8.497 1.00 0.00 O flip ATOM 1091 NE2 GLN A 70 -12.202 -11.943 -7.071 1.00 0.00 N flip ATOM 0 HA GLN A 70 -10.848 -9.769 -9.969 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.406 -12.383 -10.160 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.420 -11.618 -8.583 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.934 -12.127 -10.210 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.304 -13.259 -9.030 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.839 -12.877 -6.878 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.682 -11.421 -6.338 1.00 0.00 H new ATOM 1100 N LEU A 71 -8.951 -8.867 -8.493 1.00 0.00 N ATOM 1101 CA LEU A 71 -7.923 -8.055 -7.877 1.00 0.00 C ATOM 1102 C LEU A 71 -6.603 -8.834 -7.722 1.00 0.00 C ATOM 1103 O LEU A 71 -6.135 -9.448 -8.678 1.00 0.00 O ATOM 1104 CB LEU A 71 -8.438 -7.538 -6.537 1.00 0.00 C ATOM 1105 CG LEU A 71 -8.198 -6.054 -6.297 1.00 0.00 C ATOM 1106 CD1 LEU A 71 -9.516 -5.331 -6.159 1.00 0.00 C ATOM 1107 CD2 LEU A 71 -7.348 -5.844 -5.061 1.00 0.00 C ATOM 0 H LEU A 71 -9.818 -8.924 -7.958 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.700 -7.206 -8.523 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.508 -7.735 -6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.962 -8.104 -5.736 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.662 -5.646 -7.154 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.333 -4.270 -5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.097 -5.456 -7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.071 -5.744 -5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.188 -4.777 -4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.857 -6.264 -4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.386 -6.340 -5.192 1.00 0.00 H new ATOM 1119 N ASP A 72 -6.009 -8.809 -6.522 1.00 0.00 N ATOM 1120 CA ASP A 72 -4.751 -9.508 -6.250 1.00 0.00 C ATOM 1121 C ASP A 72 -4.116 -8.949 -4.974 1.00 0.00 C ATOM 1122 O ASP A 72 -4.826 -8.544 -4.056 1.00 0.00 O ATOM 1123 CB ASP A 72 -3.774 -9.402 -7.436 1.00 0.00 C ATOM 1124 CG ASP A 72 -3.368 -7.975 -7.741 1.00 0.00 C ATOM 1125 OD1 ASP A 72 -2.926 -7.270 -6.810 1.00 0.00 O ATOM 1126 OD2 ASP A 72 -3.494 -7.560 -8.912 1.00 0.00 O ATOM 0 H ASP A 72 -6.386 -8.306 -5.718 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.972 -10.566 -6.108 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.882 -9.989 -7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.236 -9.840 -8.321 1.00 0.00 H new ATOM 1131 N PHE A 73 -2.786 -8.941 -4.903 1.00 0.00 N ATOM 1132 CA PHE A 73 -2.094 -8.449 -3.720 1.00 0.00 C ATOM 1133 C PHE A 73 -1.930 -6.925 -3.711 1.00 0.00 C ATOM 1134 O PHE A 73 -2.376 -6.260 -2.774 1.00 0.00 O ATOM 1135 CB PHE A 73 -0.728 -9.120 -3.591 1.00 0.00 C ATOM 1136 CG PHE A 73 0.232 -8.769 -4.693 1.00 0.00 C ATOM 1137 CD1 PHE A 73 0.178 -9.422 -5.914 1.00 0.00 C ATOM 1138 CD2 PHE A 73 1.190 -7.785 -4.504 1.00 0.00 C ATOM 1139 CE1 PHE A 73 1.062 -9.101 -6.926 1.00 0.00 C ATOM 1140 CE2 PHE A 73 2.076 -7.460 -5.512 1.00 0.00 C ATOM 1141 CZ PHE A 73 2.011 -8.118 -6.725 1.00 0.00 C ATOM 0 H PHE A 73 -2.171 -9.268 -5.648 1.00 0.00 H new ATOM 0 HA PHE A 73 -2.718 -8.706 -2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.286 -8.840 -2.635 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.866 -10.201 -3.574 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.563 -10.190 -6.076 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.244 -7.267 -3.558 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.011 -9.618 -7.873 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.819 -6.692 -5.352 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.702 -7.864 -7.515 1.00 0.00 H new ATOM 1151 N GLN A 74 -1.270 -6.370 -4.728 1.00 0.00 N ATOM 1152 CA GLN A 74 -1.044 -4.929 -4.770 1.00 0.00 C ATOM 1153 C GLN A 74 -2.263 -4.168 -5.265 1.00 0.00 C ATOM 1154 O GLN A 74 -2.510 -3.058 -4.816 1.00 0.00 O ATOM 1155 CB GLN A 74 0.166 -4.571 -5.637 1.00 0.00 C ATOM 1156 CG GLN A 74 0.419 -3.066 -5.736 1.00 0.00 C ATOM 1157 CD GLN A 74 0.350 -2.359 -4.387 1.00 0.00 C ATOM 1158 OE1 GLN A 74 -0.290 -1.187 -4.349 1.00 0.00 O flip ATOM 1159 NE2 GLN A 74 0.868 -2.860 -3.388 1.00 0.00 N flip ATOM 0 H GLN A 74 -0.889 -6.888 -5.520 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.846 -4.628 -3.741 1.00 0.00 H new ATOM 0 HB2 GLN A 74 1.053 -5.055 -5.227 1.00 0.00 H new ATOM 0 HB3 GLN A 74 0.017 -4.974 -6.639 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.401 -2.897 -6.179 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.315 -2.624 -6.410 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.348 -3.757 -3.458 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.817 -2.378 -2.491 1.00 0.00 H new ATOM 1168 N GLU A 75 -3.020 -4.747 -6.194 1.00 0.00 N ATOM 1169 CA GLU A 75 -4.200 -4.066 -6.724 1.00 0.00 C ATOM 1170 C GLU A 75 -5.002 -3.439 -5.590 1.00 0.00 C ATOM 1171 O GLU A 75 -5.494 -2.318 -5.709 1.00 0.00 O ATOM 1172 CB GLU A 75 -5.078 -5.026 -7.520 1.00 0.00 C ATOM 1173 CG GLU A 75 -5.330 -4.569 -8.944 1.00 0.00 C ATOM 1174 CD GLU A 75 -5.975 -5.641 -9.798 1.00 0.00 C ATOM 1175 OE1 GLU A 75 -5.239 -6.497 -10.335 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -7.216 -5.626 -9.934 1.00 0.00 O ATOM 0 H GLU A 75 -2.843 -5.670 -6.590 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.861 -3.279 -7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.606 -6.008 -7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.034 -5.142 -7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.971 -3.687 -8.930 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.385 -4.269 -9.397 1.00 0.00 H new ATOM 1183 N PHE A 76 -5.097 -4.158 -4.477 1.00 0.00 N ATOM 1184 CA PHE A 76 -5.804 -3.648 -3.315 1.00 0.00 C ATOM 1185 C PHE A 76 -4.977 -2.536 -2.686 1.00 0.00 C ATOM 1186 O PHE A 76 -5.461 -1.421 -2.494 1.00 0.00 O ATOM 1187 CB PHE A 76 -6.070 -4.763 -2.305 1.00 0.00 C ATOM 1188 CG PHE A 76 -7.026 -4.364 -1.216 1.00 0.00 C ATOM 1189 CD1 PHE A 76 -6.709 -3.344 -0.333 1.00 0.00 C ATOM 1190 CD2 PHE A 76 -8.247 -5.003 -1.084 1.00 0.00 C ATOM 1191 CE1 PHE A 76 -7.593 -2.971 0.661 1.00 0.00 C ATOM 1192 CE2 PHE A 76 -9.135 -4.633 -0.091 1.00 0.00 C ATOM 1193 CZ PHE A 76 -8.808 -3.616 0.782 1.00 0.00 C ATOM 0 H PHE A 76 -4.696 -5.088 -4.358 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.771 -3.252 -3.625 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.470 -5.631 -2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.125 -5.069 -1.855 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.761 -2.835 -0.423 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.509 -5.800 -1.765 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.334 -2.175 1.343 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.084 -5.140 0.001 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.500 -3.325 1.558 1.00 0.00 H new ATOM 1203 N LEU A 77 -3.710 -2.837 -2.402 1.00 0.00 N ATOM 1204 CA LEU A 77 -2.802 -1.851 -1.838 1.00 0.00 C ATOM 1205 C LEU A 77 -2.758 -0.627 -2.746 1.00 0.00 C ATOM 1206 O LEU A 77 -2.639 0.504 -2.285 1.00 0.00 O ATOM 1207 CB LEU A 77 -1.408 -2.454 -1.667 1.00 0.00 C ATOM 1208 CG LEU A 77 -1.130 -3.011 -0.273 1.00 0.00 C ATOM 1209 CD1 LEU A 77 0.046 -3.975 -0.295 1.00 0.00 C ATOM 1210 CD2 LEU A 77 -0.881 -1.870 0.694 1.00 0.00 C ATOM 0 H LEU A 77 -3.294 -3.756 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.159 -1.547 -0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.279 -3.253 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.664 -1.690 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.004 -3.570 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.222 -4.357 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.177 -4.806 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.937 -3.454 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.683 -2.272 1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.021 -1.290 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.760 -1.226 0.731 1.00 0.00 H new ATOM 1222 N ASN A 78 -2.893 -0.879 -4.045 1.00 0.00 N ATOM 1223 CA ASN A 78 -2.918 0.177 -5.043 1.00 0.00 C ATOM 1224 C ASN A 78 -4.247 0.896 -4.942 1.00 0.00 C ATOM 1225 O ASN A 78 -4.323 2.122 -5.029 1.00 0.00 O ATOM 1226 CB ASN A 78 -2.757 -0.412 -6.449 1.00 0.00 C ATOM 1227 CG ASN A 78 -1.535 0.114 -7.173 1.00 0.00 C ATOM 1228 OD1 ASN A 78 -1.204 1.295 -7.085 1.00 0.00 O ATOM 1229 ND2 ASN A 78 -0.861 -0.771 -7.896 1.00 0.00 N ATOM 0 H ASN A 78 -2.988 -1.819 -4.431 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.096 0.870 -4.865 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.691 -1.498 -6.377 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.647 -0.185 -7.036 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.029 -0.482 -8.410 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.175 -1.741 -7.938 1.00 0.00 H new ATOM 1236 N LEU A 79 -5.299 0.107 -4.736 1.00 0.00 N ATOM 1237 CA LEU A 79 -6.636 0.643 -4.598 1.00 0.00 C ATOM 1238 C LEU A 79 -6.699 1.547 -3.372 1.00 0.00 C ATOM 1239 O LEU A 79 -7.023 2.726 -3.484 1.00 0.00 O ATOM 1240 CB LEU A 79 -7.662 -0.494 -4.490 1.00 0.00 C ATOM 1241 CG LEU A 79 -8.481 -0.768 -5.760 1.00 0.00 C ATOM 1242 CD1 LEU A 79 -7.604 -0.786 -6.992 1.00 0.00 C ATOM 1243 CD2 LEU A 79 -9.233 -2.079 -5.653 1.00 0.00 C ATOM 0 H LEU A 79 -5.243 -0.909 -4.662 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.879 1.231 -5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.137 -1.408 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.351 -0.263 -3.677 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.200 0.046 -5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.217 -0.983 -7.872 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.111 0.180 -7.102 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.852 -1.568 -6.892 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.804 -2.247 -6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.524 -2.895 -5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.913 -2.040 -4.802 1.00 0.00 H new ATOM 1255 N ILE A 80 -6.355 0.997 -2.206 1.00 0.00 N ATOM 1256 CA ILE A 80 -6.350 1.780 -0.977 1.00 0.00 C ATOM 1257 C ILE A 80 -5.210 2.786 -0.991 1.00 0.00 C ATOM 1258 O ILE A 80 -5.386 3.944 -0.613 1.00 0.00 O ATOM 1259 CB ILE A 80 -6.253 0.907 0.295 1.00 0.00 C ATOM 1260 CG1 ILE A 80 -6.688 1.721 1.512 1.00 0.00 C ATOM 1261 CG2 ILE A 80 -4.847 0.386 0.500 1.00 0.00 C ATOM 1262 CD1 ILE A 80 -5.627 2.686 2.004 1.00 0.00 C ATOM 0 H ILE A 80 -6.079 0.022 -2.091 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.307 2.301 -0.942 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.915 0.050 0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.589 2.281 1.262 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.951 1.039 2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.813 -0.224 1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.554 -0.219 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.159 1.225 0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.004 3.231 2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.732 2.131 2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.381 3.392 1.211 1.00 0.00 H new ATOM 1274 N GLY A 81 -4.038 2.341 -1.443 1.00 0.00 N ATOM 1275 CA GLY A 81 -2.892 3.228 -1.510 1.00 0.00 C ATOM 1276 C GLY A 81 -3.232 4.491 -2.264 1.00 0.00 C ATOM 1277 O GLY A 81 -3.007 5.596 -1.775 1.00 0.00 O ATOM 0 H GLY A 81 -3.864 1.388 -1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.562 3.479 -0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.062 2.720 -2.000 1.00 0.00 H new ATOM 1281 N GLY A 82 -3.807 4.321 -3.452 1.00 0.00 N ATOM 1282 CA GLY A 82 -4.208 5.472 -4.246 1.00 0.00 C ATOM 1283 C GLY A 82 -5.064 6.439 -3.443 1.00 0.00 C ATOM 1284 O GLY A 82 -4.895 7.655 -3.540 1.00 0.00 O ATOM 0 H GLY A 82 -4.002 3.415 -3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.321 5.989 -4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.764 5.135 -5.121 1.00 0.00 H new ATOM 1288 N LEU A 83 -5.979 5.903 -2.637 1.00 0.00 N ATOM 1289 CA LEU A 83 -6.841 6.742 -1.807 1.00 0.00 C ATOM 1290 C LEU A 83 -6.012 7.584 -0.845 1.00 0.00 C ATOM 1291 O LEU A 83 -6.236 8.787 -0.712 1.00 0.00 O ATOM 1292 CB LEU A 83 -7.830 5.883 -1.021 1.00 0.00 C ATOM 1293 CG LEU A 83 -8.339 4.654 -1.766 1.00 0.00 C ATOM 1294 CD1 LEU A 83 -9.452 3.975 -0.990 1.00 0.00 C ATOM 1295 CD2 LEU A 83 -8.807 5.039 -3.162 1.00 0.00 C ATOM 0 H LEU A 83 -6.142 4.901 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.396 7.408 -2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.353 5.559 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.683 6.500 -0.740 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.518 3.944 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.799 3.101 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.078 3.664 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.280 4.672 -0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.168 4.152 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.613 5.769 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.976 5.473 -3.718 1.00 0.00 H new ATOM 1307 N ALA A 84 -5.051 6.951 -0.177 1.00 0.00 N ATOM 1308 CA ALA A 84 -4.192 7.658 0.770 1.00 0.00 C ATOM 1309 C ALA A 84 -3.504 8.842 0.113 1.00 0.00 C ATOM 1310 O ALA A 84 -3.170 9.828 0.770 1.00 0.00 O ATOM 1311 CB ALA A 84 -3.132 6.725 1.319 1.00 0.00 C ATOM 0 H ALA A 84 -4.848 5.956 -0.273 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.828 8.018 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.500 7.266 2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.611 5.890 1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.521 6.346 0.500 1.00 0.00 H new ATOM 1317 N VAL A 85 -3.274 8.721 -1.182 1.00 0.00 N ATOM 1318 CA VAL A 85 -2.599 9.767 -1.935 1.00 0.00 C ATOM 1319 C VAL A 85 -3.560 10.839 -2.410 1.00 0.00 C ATOM 1320 O VAL A 85 -3.150 11.941 -2.771 1.00 0.00 O ATOM 1321 CB VAL A 85 -1.810 9.212 -3.143 1.00 0.00 C ATOM 1322 CG1 VAL A 85 -0.363 9.634 -3.025 1.00 0.00 C ATOM 1323 CG2 VAL A 85 -1.894 7.694 -3.245 1.00 0.00 C ATOM 0 H VAL A 85 -3.544 7.909 -1.736 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.890 10.215 -1.238 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.258 9.621 -4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.200 9.246 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.301 10.722 -3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.057 9.239 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.323 7.355 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.483 7.245 -2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.936 7.394 -3.358 1.00 0.00 H new ATOM 1333 N ALA A 86 -4.837 10.515 -2.408 1.00 0.00 N ATOM 1334 CA ALA A 86 -5.854 11.449 -2.838 1.00 0.00 C ATOM 1335 C ALA A 86 -6.811 11.777 -1.697 1.00 0.00 C ATOM 1336 O ALA A 86 -7.833 12.434 -1.897 1.00 0.00 O ATOM 1337 CB ALA A 86 -6.586 10.856 -4.018 1.00 0.00 C ATOM 0 H ALA A 86 -5.195 9.607 -2.112 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.388 12.387 -3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.357 11.550 -4.354 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.882 10.676 -4.830 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.049 9.914 -3.723 1.00 0.00 H new ATOM 1343 N CYS A 87 -6.465 11.315 -0.499 1.00 0.00 N ATOM 1344 CA CYS A 87 -7.279 11.551 0.685 1.00 0.00 C ATOM 1345 C CYS A 87 -6.396 11.809 1.903 1.00 0.00 C ATOM 1346 O CYS A 87 -6.719 12.643 2.748 1.00 0.00 O ATOM 1347 CB CYS A 87 -8.197 10.356 0.947 1.00 0.00 C ATOM 1348 SG CYS A 87 -9.825 10.803 1.595 1.00 0.00 S ATOM 0 H CYS A 87 -5.620 10.771 -0.324 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.892 12.434 0.507 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.328 9.801 0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.709 9.684 1.653 1.00 0.00 H new ATOM 0 HG CYS A 87 -10.703 9.926 1.206 1.00 0.00 H new ATOM 1354 N HIS A 88 -5.276 11.090 1.989 1.00 0.00 N ATOM 1355 CA HIS A 88 -4.355 11.252 3.109 1.00 0.00 C ATOM 1356 C HIS A 88 -3.127 12.060 2.697 1.00 0.00 C ATOM 1357 O HIS A 88 -2.883 12.278 1.510 1.00 0.00 O ATOM 1358 CB HIS A 88 -3.927 9.888 3.651 1.00 0.00 C ATOM 1359 CG HIS A 88 -3.893 9.827 5.147 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -4.999 9.528 5.912 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -2.879 10.037 6.019 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -4.668 9.556 7.192 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -3.387 9.862 7.283 1.00 0.00 N ATOM 0 H HIS A 88 -4.988 10.395 1.300 1.00 0.00 H new ATOM 0 HA HIS A 88 -4.877 11.798 3.895 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -4.612 9.126 3.279 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -2.938 9.645 3.262 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -5.928 9.318 5.548 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.861 10.294 5.768 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -5.332 9.362 8.021 1.00 0.00 H new ATOM 1372 N GLU A 89 -2.358 12.504 3.688 1.00 0.00 N ATOM 1373 CA GLU A 89 -1.156 13.291 3.433 1.00 0.00 C ATOM 1374 C GLU A 89 -0.160 12.514 2.579 1.00 0.00 C ATOM 1375 O GLU A 89 0.364 11.484 3.001 1.00 0.00 O ATOM 1376 CB GLU A 89 -0.501 13.701 4.754 1.00 0.00 C ATOM 1377 CG GLU A 89 0.615 14.719 4.588 1.00 0.00 C ATOM 1378 CD GLU A 89 1.338 15.009 5.889 1.00 0.00 C ATOM 1379 OE1 GLU A 89 2.085 14.128 6.362 1.00 0.00 O ATOM 1380 OE2 GLU A 89 1.158 16.118 6.434 1.00 0.00 O ATOM 0 H GLU A 89 -2.547 12.332 4.675 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.451 14.186 2.885 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.263 14.114 5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.102 12.813 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.331 14.351 3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.200 15.646 4.193 1.00 0.00 H new ATOM 1387 N SER A 90 0.096 13.020 1.376 1.00 0.00 N ATOM 1388 CA SER A 90 1.032 12.381 0.457 1.00 0.00 C ATOM 1389 C SER A 90 1.159 13.189 -0.831 1.00 0.00 C ATOM 1390 O SER A 90 2.204 13.782 -1.103 1.00 0.00 O ATOM 1391 CB SER A 90 0.578 10.955 0.139 1.00 0.00 C ATOM 1392 OG SER A 90 1.676 10.138 -0.227 1.00 0.00 O ATOM 0 H SER A 90 -0.333 13.872 1.015 1.00 0.00 H new ATOM 0 HA SER A 90 2.009 12.341 0.939 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.077 10.528 1.008 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.150 10.975 -0.672 1.00 0.00 H new ATOM 0 HG SER A 90 1.388 9.202 -0.268 1.00 0.00 H new ATOM 1398 N PHE A 91 0.087 13.214 -1.617 1.00 0.00 N ATOM 1399 CA PHE A 91 0.073 13.955 -2.874 1.00 0.00 C ATOM 1400 C PHE A 91 -0.924 15.103 -2.812 1.00 0.00 C ATOM 1401 O PHE A 91 -0.724 16.149 -3.431 1.00 0.00 O ATOM 1402 CB PHE A 91 -0.289 13.034 -4.038 1.00 0.00 C ATOM 1403 CG PHE A 91 0.323 13.449 -5.346 1.00 0.00 C ATOM 1404 CD1 PHE A 91 1.674 13.259 -5.586 1.00 0.00 C ATOM 1405 CD2 PHE A 91 -0.454 14.032 -6.334 1.00 0.00 C ATOM 1406 CE1 PHE A 91 2.239 13.641 -6.788 1.00 0.00 C ATOM 1407 CE2 PHE A 91 0.105 14.416 -7.538 1.00 0.00 C ATOM 1408 CZ PHE A 91 1.453 14.220 -7.765 1.00 0.00 C ATOM 0 H PHE A 91 -0.785 12.729 -1.405 1.00 0.00 H new ATOM 0 HA PHE A 91 1.073 14.359 -3.033 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.033 12.020 -3.801 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.373 13.008 -4.146 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.293 12.807 -4.825 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -1.509 14.188 -6.161 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.294 13.487 -6.963 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.512 14.869 -8.300 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.892 14.519 -8.705 1.00 0.00 H new ATOM 1418 N VAL A 92 -2.006 14.897 -2.070 1.00 0.00 N ATOM 1419 CA VAL A 92 -3.045 15.908 -1.932 1.00 0.00 C ATOM 1420 C VAL A 92 -2.460 17.259 -1.527 1.00 0.00 C ATOM 1421 O VAL A 92 -3.037 18.308 -1.815 1.00 0.00 O ATOM 1422 CB VAL A 92 -4.105 15.486 -0.896 1.00 0.00 C ATOM 1423 CG1 VAL A 92 -4.786 14.193 -1.322 1.00 0.00 C ATOM 1424 CG2 VAL A 92 -3.477 15.339 0.484 1.00 0.00 C ATOM 0 H VAL A 92 -2.186 14.036 -1.554 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.519 16.005 -2.909 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.863 16.267 -0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.531 13.912 -0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.273 14.339 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.042 13.401 -1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.241 15.041 1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.696 14.580 0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.044 16.291 0.790 1.00 0.00 H new ATOM 1638 N THR B 4 -11.632 3.553 12.438 1.00 0.00 N ATOM 1639 CA THR B 4 -11.797 2.219 11.870 1.00 0.00 C ATOM 1640 C THR B 4 -10.462 1.505 11.746 1.00 0.00 C ATOM 1641 O THR B 4 -9.418 2.124 11.546 1.00 0.00 O ATOM 1642 CB THR B 4 -12.491 2.289 10.505 1.00 0.00 C ATOM 1643 OG1 THR B 4 -12.232 1.119 9.751 1.00 0.00 O ATOM 1644 CG2 THR B 4 -12.069 3.476 9.664 1.00 0.00 C ATOM 0 HA THR B 4 -12.427 1.647 12.551 1.00 0.00 H new ATOM 0 HB THR B 4 -13.552 2.392 10.734 1.00 0.00 H new ATOM 0 HG1 THR B 4 -12.158 1.351 8.802 1.00 0.00 H new ATOM 0 HG21 THR B 4 -12.603 3.457 8.714 1.00 0.00 H new ATOM 0 HG22 THR B 4 -12.304 4.399 10.194 1.00 0.00 H new ATOM 0 HG23 THR B 4 -10.996 3.427 9.479 1.00 0.00 H new ATOM 1652 N GLU B 5 -10.516 0.188 11.871 1.00 0.00 N ATOM 1653 CA GLU B 5 -9.335 -0.656 11.781 1.00 0.00 C ATOM 1654 C GLU B 5 -8.456 -0.257 10.597 1.00 0.00 C ATOM 1655 O GLU B 5 -7.248 -0.079 10.742 1.00 0.00 O ATOM 1656 CB GLU B 5 -9.775 -2.108 11.653 1.00 0.00 C ATOM 1657 CG GLU B 5 -8.972 -3.068 12.516 1.00 0.00 C ATOM 1658 CD GLU B 5 -9.371 -3.011 13.977 1.00 0.00 C ATOM 1659 OE1 GLU B 5 -10.447 -3.544 14.320 1.00 0.00 O ATOM 1660 OE2 GLU B 5 -8.607 -2.433 14.779 1.00 0.00 O ATOM 0 H GLU B 5 -11.381 -0.326 12.038 1.00 0.00 H new ATOM 0 HA GLU B 5 -8.739 -0.529 12.685 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -10.828 -2.184 11.923 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -9.691 -2.413 10.610 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -9.108 -4.084 12.145 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -7.911 -2.834 12.423 1.00 0.00 H new ATOM 1667 N THR B 6 -9.072 -0.111 9.428 1.00 0.00 N ATOM 1668 CA THR B 6 -8.344 0.277 8.229 1.00 0.00 C ATOM 1669 C THR B 6 -7.769 1.679 8.384 1.00 0.00 C ATOM 1670 O THR B 6 -6.662 1.957 7.925 1.00 0.00 O ATOM 1671 CB THR B 6 -9.260 0.221 7.004 1.00 0.00 C ATOM 1672 OG1 THR B 6 -10.134 -0.891 7.082 1.00 0.00 O ATOM 1673 CG2 THR B 6 -8.503 0.120 5.697 1.00 0.00 C ATOM 0 H THR B 6 -10.072 -0.256 9.287 1.00 0.00 H new ATOM 0 HA THR B 6 -7.523 -0.426 8.086 1.00 0.00 H new ATOM 0 HB THR B 6 -9.814 1.159 7.013 1.00 0.00 H new ATOM 0 HG1 THR B 6 -10.237 -1.289 6.192 1.00 0.00 H new ATOM 0 HG21 THR B 6 -9.210 0.084 4.869 1.00 0.00 H new ATOM 0 HG22 THR B 6 -7.855 0.989 5.584 1.00 0.00 H new ATOM 0 HG23 THR B 6 -7.897 -0.786 5.696 1.00 0.00 H new ATOM 1681 N GLU B 7 -8.525 2.557 9.043 1.00 0.00 N ATOM 1682 CA GLU B 7 -8.091 3.937 9.257 1.00 0.00 C ATOM 1683 C GLU B 7 -6.695 3.976 9.865 1.00 0.00 C ATOM 1684 O GLU B 7 -5.875 4.820 9.508 1.00 0.00 O ATOM 1685 CB GLU B 7 -9.080 4.670 10.171 1.00 0.00 C ATOM 1686 CG GLU B 7 -9.766 5.850 9.502 1.00 0.00 C ATOM 1687 CD GLU B 7 -9.091 7.171 9.818 1.00 0.00 C ATOM 1688 OE1 GLU B 7 -7.885 7.158 10.144 1.00 0.00 O ATOM 1689 OE2 GLU B 7 -9.768 8.217 9.738 1.00 0.00 O ATOM 0 H GLU B 7 -9.440 2.337 9.437 1.00 0.00 H new ATOM 0 HA GLU B 7 -8.062 4.438 8.290 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -9.838 3.965 10.512 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -8.551 5.022 11.057 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -9.772 5.698 8.423 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -10.807 5.891 9.824 1.00 0.00 H new ATOM 1696 N ARG B 8 -6.426 3.043 10.768 1.00 0.00 N ATOM 1697 CA ARG B 8 -5.122 2.961 11.407 1.00 0.00 C ATOM 1698 C ARG B 8 -4.121 2.290 10.470 1.00 0.00 C ATOM 1699 O ARG B 8 -2.918 2.532 10.554 1.00 0.00 O ATOM 1700 CB ARG B 8 -5.220 2.182 12.722 1.00 0.00 C ATOM 1701 CG ARG B 8 -4.749 2.971 13.932 1.00 0.00 C ATOM 1702 CD ARG B 8 -5.615 2.694 15.150 1.00 0.00 C ATOM 1703 NE ARG B 8 -5.202 1.479 15.851 1.00 0.00 N ATOM 1704 CZ ARG B 8 -5.973 0.825 16.717 1.00 0.00 C ATOM 1705 NH1 ARG B 8 -7.195 1.264 16.992 1.00 0.00 N ATOM 1706 NH2 ARG B 8 -5.519 -0.271 17.310 1.00 0.00 N ATOM 0 H ARG B 8 -7.093 2.334 11.073 1.00 0.00 H new ATOM 0 HA ARG B 8 -4.777 3.971 11.627 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -6.255 1.877 12.878 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -4.628 1.271 12.640 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -3.713 2.714 14.155 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -4.771 4.037 13.704 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -5.562 3.542 15.833 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -6.656 2.598 14.841 1.00 0.00 H new ATOM 0 HE ARG B 8 -4.269 1.111 15.666 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -7.548 2.107 16.539 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -7.781 0.759 17.656 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -4.580 -0.612 17.102 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -6.109 -0.773 17.974 1.00 0.00 H new ATOM 1719 N CYS B 9 -4.634 1.444 9.578 1.00 0.00 N ATOM 1720 CA CYS B 9 -3.798 0.732 8.618 1.00 0.00 C ATOM 1721 C CYS B 9 -3.214 1.685 7.580 1.00 0.00 C ATOM 1722 O CYS B 9 -2.004 1.712 7.362 1.00 0.00 O ATOM 1723 CB CYS B 9 -4.611 -0.360 7.920 1.00 0.00 C ATOM 1724 SG CYS B 9 -5.358 -1.561 9.048 1.00 0.00 S ATOM 0 H CYS B 9 -5.630 1.236 9.502 1.00 0.00 H new ATOM 0 HA CYS B 9 -2.973 0.276 9.165 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -5.400 0.109 7.332 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -3.964 -0.889 7.220 1.00 0.00 H new ATOM 0 HG CYS B 9 -6.023 -0.933 9.972 1.00 0.00 H new ATOM 1730 N ILE B 10 -4.079 2.463 6.940 1.00 0.00 N ATOM 1731 CA ILE B 10 -3.645 3.410 5.924 1.00 0.00 C ATOM 1732 C ILE B 10 -2.545 4.329 6.445 1.00 0.00 C ATOM 1733 O ILE B 10 -1.470 4.419 5.858 1.00 0.00 O ATOM 1734 CB ILE B 10 -4.821 4.281 5.433 1.00 0.00 C ATOM 1735 CG1 ILE B 10 -5.993 3.406 4.988 1.00 0.00 C ATOM 1736 CG2 ILE B 10 -4.373 5.184 4.297 1.00 0.00 C ATOM 1737 CD1 ILE B 10 -7.188 3.485 5.903 1.00 0.00 C ATOM 0 H ILE B 10 -5.085 2.456 7.108 1.00 0.00 H new ATOM 0 HA ILE B 10 -3.256 2.818 5.096 1.00 0.00 H new ATOM 0 HB ILE B 10 -5.155 4.905 6.262 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -6.295 3.702 3.983 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -5.660 2.370 4.928 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -5.214 5.792 3.962 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -3.571 5.835 4.644 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -4.013 4.575 3.468 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -7.980 2.839 5.524 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -6.902 3.161 6.904 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -7.548 4.513 5.944 1.00 0.00 H new ATOM 1749 N GLU B 11 -2.830 5.020 7.540 1.00 0.00 N ATOM 1750 CA GLU B 11 -1.880 5.957 8.132 1.00 0.00 C ATOM 1751 C GLU B 11 -0.513 5.325 8.374 1.00 0.00 C ATOM 1752 O GLU B 11 0.501 6.023 8.398 1.00 0.00 O ATOM 1753 CB GLU B 11 -2.435 6.512 9.444 1.00 0.00 C ATOM 1754 CG GLU B 11 -2.482 8.029 9.480 1.00 0.00 C ATOM 1755 CD GLU B 11 -1.839 8.605 10.727 1.00 0.00 C ATOM 1756 OE1 GLU B 11 -0.643 8.328 10.961 1.00 0.00 O ATOM 1757 OE2 GLU B 11 -2.531 9.330 11.471 1.00 0.00 O ATOM 0 H GLU B 11 -3.716 4.950 8.040 1.00 0.00 H new ATOM 0 HA GLU B 11 -1.742 6.768 7.417 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -3.440 6.120 9.600 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -1.821 6.154 10.271 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -1.976 8.425 8.599 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -3.520 8.358 9.426 1.00 0.00 H new ATOM 1764 N SER B 12 -0.485 4.016 8.577 1.00 0.00 N ATOM 1765 CA SER B 12 0.770 3.325 8.845 1.00 0.00 C ATOM 1766 C SER B 12 1.694 3.303 7.624 1.00 0.00 C ATOM 1767 O SER B 12 2.843 3.730 7.711 1.00 0.00 O ATOM 1768 CB SER B 12 0.499 1.895 9.317 1.00 0.00 C ATOM 1769 OG SER B 12 -0.884 1.671 9.514 1.00 0.00 O ATOM 0 H SER B 12 -1.309 3.414 8.562 1.00 0.00 H new ATOM 0 HA SER B 12 1.279 3.881 9.632 1.00 0.00 H new ATOM 0 HB2 SER B 12 0.883 1.188 8.581 1.00 0.00 H new ATOM 0 HB3 SER B 12 1.036 1.709 10.247 1.00 0.00 H new ATOM 0 HG SER B 12 -1.238 2.338 10.139 1.00 0.00 H new ATOM 1775 N LEU B 13 1.205 2.786 6.498 1.00 0.00 N ATOM 1776 CA LEU B 13 2.014 2.688 5.287 1.00 0.00 C ATOM 1777 C LEU B 13 2.335 4.048 4.665 1.00 0.00 C ATOM 1778 O LEU B 13 3.359 4.207 4.004 1.00 0.00 O ATOM 1779 CB LEU B 13 1.313 1.792 4.281 1.00 0.00 C ATOM 1780 CG LEU B 13 1.741 0.329 4.342 1.00 0.00 C ATOM 1781 CD1 LEU B 13 3.220 0.199 4.034 1.00 0.00 C ATOM 1782 CD2 LEU B 13 1.454 -0.271 5.704 1.00 0.00 C ATOM 0 H LEU B 13 0.254 2.430 6.400 1.00 0.00 H new ATOM 0 HA LEU B 13 2.972 2.253 5.572 1.00 0.00 H new ATOM 0 HB2 LEU B 13 0.237 1.851 4.446 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.503 2.173 3.278 1.00 0.00 H new ATOM 0 HG LEU B 13 1.164 -0.216 3.594 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.511 -0.850 4.081 1.00 0.00 H new ATOM 0 HD12 LEU B 13 3.419 0.586 3.035 1.00 0.00 H new ATOM 0 HD13 LEU B 13 3.795 0.768 4.764 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.770 -1.314 5.716 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.000 0.282 6.468 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.385 -0.213 5.909 1.00 0.00 H new ATOM 1794 N ILE B 14 1.482 5.031 4.868 1.00 0.00 N ATOM 1795 CA ILE B 14 1.733 6.346 4.321 1.00 0.00 C ATOM 1796 C ILE B 14 2.916 6.982 5.002 1.00 0.00 C ATOM 1797 O ILE B 14 3.676 7.725 4.395 1.00 0.00 O ATOM 1798 CB ILE B 14 0.562 7.291 4.561 1.00 0.00 C ATOM 1799 CG1 ILE B 14 -0.759 6.645 4.209 1.00 0.00 C ATOM 1800 CG2 ILE B 14 0.762 8.562 3.780 1.00 0.00 C ATOM 1801 CD1 ILE B 14 -1.886 7.219 5.021 1.00 0.00 C ATOM 0 H ILE B 14 0.617 4.945 5.402 1.00 0.00 H new ATOM 0 HA ILE B 14 1.902 6.202 3.254 1.00 0.00 H new ATOM 0 HB ILE B 14 0.530 7.528 5.624 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -0.964 6.788 3.148 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.697 5.570 4.380 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -0.079 9.233 3.956 1.00 0.00 H new ATOM 0 HG22 ILE B 14 1.685 9.045 4.101 1.00 0.00 H new ATOM 0 HG23 ILE B 14 0.824 8.330 2.717 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.820 6.732 4.742 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -1.692 7.053 6.081 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.964 8.289 4.830 1.00 0.00 H new ATOM 1813 N ALA B 15 3.018 6.716 6.285 1.00 0.00 N ATOM 1814 CA ALA B 15 4.046 7.295 7.110 1.00 0.00 C ATOM 1815 C ALA B 15 5.382 6.590 6.956 1.00 0.00 C ATOM 1816 O ALA B 15 6.431 7.234 7.012 1.00 0.00 O ATOM 1817 CB ALA B 15 3.550 7.308 8.534 1.00 0.00 C ATOM 0 H ALA B 15 2.387 6.089 6.784 1.00 0.00 H new ATOM 0 HA ALA B 15 4.241 8.318 6.788 1.00 0.00 H new ATOM 0 HB1 ALA B 15 4.312 7.743 9.181 1.00 0.00 H new ATOM 0 HB2 ALA B 15 2.639 7.903 8.596 1.00 0.00 H new ATOM 0 HB3 ALA B 15 3.340 6.288 8.856 1.00 0.00 H new ATOM 1823 N VAL B 16 5.358 5.283 6.706 1.00 0.00 N ATOM 1824 CA VAL B 16 6.591 4.551 6.484 1.00 0.00 C ATOM 1825 C VAL B 16 7.385 5.280 5.415 1.00 0.00 C ATOM 1826 O VAL B 16 8.612 5.377 5.469 1.00 0.00 O ATOM 1827 CB VAL B 16 6.307 3.120 6.000 1.00 0.00 C ATOM 1828 CG1 VAL B 16 5.449 2.374 6.993 1.00 0.00 C ATOM 1829 CG2 VAL B 16 5.619 3.155 4.654 1.00 0.00 C ATOM 0 H VAL B 16 4.509 4.720 6.654 1.00 0.00 H new ATOM 0 HA VAL B 16 7.145 4.493 7.421 1.00 0.00 H new ATOM 0 HB VAL B 16 7.259 2.598 5.906 1.00 0.00 H new ATOM 0 HG11 VAL B 16 5.263 1.364 6.627 1.00 0.00 H new ATOM 0 HG12 VAL B 16 5.964 2.323 7.952 1.00 0.00 H new ATOM 0 HG13 VAL B 16 4.500 2.895 7.118 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.422 2.136 4.319 1.00 0.00 H new ATOM 0 HG22 VAL B 16 4.677 3.697 4.741 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.261 3.657 3.930 1.00 0.00 H new ATOM 1839 N PHE B 17 6.639 5.808 4.446 1.00 0.00 N ATOM 1840 CA PHE B 17 7.219 6.561 3.343 1.00 0.00 C ATOM 1841 C PHE B 17 7.568 7.981 3.795 1.00 0.00 C ATOM 1842 O PHE B 17 8.723 8.394 3.721 1.00 0.00 O ATOM 1843 CB PHE B 17 6.234 6.580 2.163 1.00 0.00 C ATOM 1844 CG PHE B 17 6.366 7.766 1.246 1.00 0.00 C ATOM 1845 CD1 PHE B 17 7.381 7.825 0.304 1.00 0.00 C ATOM 1846 CD2 PHE B 17 5.464 8.816 1.319 1.00 0.00 C ATOM 1847 CE1 PHE B 17 7.494 8.909 -0.545 1.00 0.00 C ATOM 1848 CE2 PHE B 17 5.574 9.903 0.473 1.00 0.00 C ATOM 1849 CZ PHE B 17 6.590 9.950 -0.460 1.00 0.00 C ATOM 0 H PHE B 17 5.623 5.725 4.406 1.00 0.00 H new ATOM 0 HA PHE B 17 8.142 6.080 3.019 1.00 0.00 H new ATOM 0 HB2 PHE B 17 6.372 5.670 1.579 1.00 0.00 H new ATOM 0 HB3 PHE B 17 5.218 6.555 2.557 1.00 0.00 H new ATOM 0 HD1 PHE B 17 8.091 7.015 0.233 1.00 0.00 H new ATOM 0 HD2 PHE B 17 4.666 8.784 2.046 1.00 0.00 H new ATOM 0 HE1 PHE B 17 8.289 8.943 -1.275 1.00 0.00 H new ATOM 0 HE2 PHE B 17 4.865 10.715 0.542 1.00 0.00 H new ATOM 0 HZ PHE B 17 6.678 10.799 -1.122 1.00 0.00 H new ATOM 1859 N GLN B 18 6.562 8.721 4.268 1.00 0.00 N ATOM 1860 CA GLN B 18 6.766 10.098 4.730 1.00 0.00 C ATOM 1861 C GLN B 18 7.943 10.210 5.689 1.00 0.00 C ATOM 1862 O GLN B 18 8.623 11.234 5.725 1.00 0.00 O ATOM 1863 CB GLN B 18 5.515 10.624 5.438 1.00 0.00 C ATOM 1864 CG GLN B 18 4.225 10.289 4.724 1.00 0.00 C ATOM 1865 CD GLN B 18 3.813 11.359 3.745 1.00 0.00 C ATOM 1866 OE1 GLN B 18 2.780 12.010 3.905 1.00 0.00 O ATOM 1867 NE2 GLN B 18 4.630 11.541 2.718 1.00 0.00 N ATOM 0 H GLN B 18 5.600 8.391 4.341 1.00 0.00 H new ATOM 0 HA GLN B 18 6.975 10.694 3.842 1.00 0.00 H new ATOM 0 HB2 GLN B 18 5.479 10.212 6.446 1.00 0.00 H new ATOM 0 HB3 GLN B 18 5.594 11.707 5.539 1.00 0.00 H new ATOM 0 HG2 GLN B 18 4.341 9.343 4.196 1.00 0.00 H new ATOM 0 HG3 GLN B 18 3.432 10.149 5.459 1.00 0.00 H new ATOM 0 HE21 GLN B 18 5.474 10.975 2.631 1.00 0.00 H new ATOM 0 HE22 GLN B 18 4.415 12.247 2.014 1.00 0.00 H new ATOM 1876 N LYS B 19 8.174 9.170 6.479 1.00 0.00 N ATOM 1877 CA LYS B 19 9.267 9.196 7.440 1.00 0.00 C ATOM 1878 C LYS B 19 10.601 9.431 6.742 1.00 0.00 C ATOM 1879 O LYS B 19 11.347 10.344 7.102 1.00 0.00 O ATOM 1880 CB LYS B 19 9.311 7.880 8.219 1.00 0.00 C ATOM 1881 CG LYS B 19 10.177 7.938 9.467 1.00 0.00 C ATOM 1882 CD LYS B 19 9.514 8.748 10.567 1.00 0.00 C ATOM 1883 CE LYS B 19 8.350 7.993 11.190 1.00 0.00 C ATOM 1884 NZ LYS B 19 8.805 6.800 11.958 1.00 0.00 N ATOM 0 H LYS B 19 7.627 8.309 6.474 1.00 0.00 H new ATOM 0 HA LYS B 19 9.093 10.019 8.133 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.296 7.603 8.504 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.685 7.093 7.564 1.00 0.00 H new ATOM 0 HG2 LYS B 19 10.370 6.927 9.824 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.143 8.379 9.221 1.00 0.00 H new ATOM 0 HD2 LYS B 19 10.248 8.987 11.337 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.159 9.695 10.160 1.00 0.00 H new ATOM 0 HE2 LYS B 19 7.797 8.661 11.851 1.00 0.00 H new ATOM 0 HE3 LYS B 19 7.661 7.678 10.406 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 8.038 6.474 12.580 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 9.062 6.039 11.297 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 9.633 7.053 12.534 1.00 0.00 H new ATOM 1898 N TYR B 20 10.886 8.628 5.724 1.00 0.00 N ATOM 1899 CA TYR B 20 12.113 8.778 4.959 1.00 0.00 C ATOM 1900 C TYR B 20 11.951 9.885 3.931 1.00 0.00 C ATOM 1901 O TYR B 20 12.801 10.764 3.785 1.00 0.00 O ATOM 1902 CB TYR B 20 12.497 7.458 4.290 1.00 0.00 C ATOM 1903 CG TYR B 20 13.573 6.705 5.043 1.00 0.00 C ATOM 1904 CD1 TYR B 20 13.407 6.374 6.383 1.00 0.00 C ATOM 1905 CD2 TYR B 20 14.754 6.332 4.418 1.00 0.00 C ATOM 1906 CE1 TYR B 20 14.389 5.693 7.076 1.00 0.00 C ATOM 1907 CE2 TYR B 20 15.742 5.650 5.104 1.00 0.00 C ATOM 1908 CZ TYR B 20 15.555 5.333 6.431 1.00 0.00 C ATOM 1909 OH TYR B 20 16.535 4.655 7.118 1.00 0.00 O ATOM 0 H TYR B 20 10.283 7.867 5.411 1.00 0.00 H new ATOM 0 HA TYR B 20 12.920 9.053 5.638 1.00 0.00 H new ATOM 0 HB2 TYR B 20 11.611 6.828 4.206 1.00 0.00 H new ATOM 0 HB3 TYR B 20 12.843 7.658 3.276 1.00 0.00 H new ATOM 0 HD1 TYR B 20 12.496 6.654 6.890 1.00 0.00 H new ATOM 0 HD2 TYR B 20 14.904 6.579 3.377 1.00 0.00 H new ATOM 0 HE1 TYR B 20 14.245 5.444 8.117 1.00 0.00 H new ATOM 0 HE2 TYR B 20 16.655 5.367 4.602 1.00 0.00 H new ATOM 0 HH TYR B 20 17.290 4.476 6.519 1.00 0.00 H new ATOM 1919 N ALA B 21 10.833 9.811 3.222 1.00 0.00 N ATOM 1920 CA ALA B 21 10.488 10.769 2.186 1.00 0.00 C ATOM 1921 C ALA B 21 10.347 12.184 2.742 1.00 0.00 C ATOM 1922 O ALA B 21 10.367 13.158 1.991 1.00 0.00 O ATOM 1923 CB ALA B 21 9.199 10.319 1.519 1.00 0.00 C ATOM 0 H ALA B 21 10.136 9.078 3.352 1.00 0.00 H new ATOM 0 HA ALA B 21 11.295 10.802 1.454 1.00 0.00 H new ATOM 0 HB1 ALA B 21 8.926 11.029 0.738 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.342 9.332 1.079 1.00 0.00 H new ATOM 0 HB3 ALA B 21 8.402 10.273 2.261 1.00 0.00 H new ATOM 1929 N GLY B 22 10.205 12.292 4.060 1.00 0.00 N ATOM 1930 CA GLY B 22 10.065 13.593 4.684 1.00 0.00 C ATOM 1931 C GLY B 22 11.377 14.350 4.754 1.00 0.00 C ATOM 1932 O GLY B 22 12.433 13.756 4.971 1.00 0.00 O ATOM 0 H GLY B 22 10.185 11.502 4.705 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.338 14.183 4.126 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.668 13.468 5.691 1.00 0.00 H new ATOM 2006 N VAL B 28 8.039 15.373 -2.206 1.00 0.00 N ATOM 2007 CA VAL B 28 6.973 14.391 -2.374 1.00 0.00 C ATOM 2008 C VAL B 28 7.496 13.104 -3.008 1.00 0.00 C ATOM 2009 O VAL B 28 6.744 12.357 -3.633 1.00 0.00 O ATOM 2010 CB VAL B 28 5.826 14.956 -3.237 1.00 0.00 C ATOM 2011 CG1 VAL B 28 6.303 15.236 -4.655 1.00 0.00 C ATOM 2012 CG2 VAL B 28 4.640 14.005 -3.243 1.00 0.00 C ATOM 0 HA VAL B 28 6.591 14.163 -1.379 1.00 0.00 H new ATOM 0 HB VAL B 28 5.503 15.900 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL B 28 5.477 15.634 -5.245 1.00 0.00 H new ATOM 0 HG12 VAL B 28 7.114 15.964 -4.629 1.00 0.00 H new ATOM 0 HG13 VAL B 28 6.660 14.311 -5.108 1.00 0.00 H new ATOM 0 HG21 VAL B 28 3.842 14.422 -3.857 1.00 0.00 H new ATOM 0 HG22 VAL B 28 4.947 13.043 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL B 28 4.279 13.867 -2.224 1.00 0.00 H new ATOM 2022 N THR B 29 8.790 12.848 -2.844 1.00 0.00 N ATOM 2023 CA THR B 29 9.407 11.650 -3.400 1.00 0.00 C ATOM 2024 C THR B 29 10.472 11.089 -2.471 1.00 0.00 C ATOM 2025 O THR B 29 11.117 11.823 -1.724 1.00 0.00 O ATOM 2026 CB THR B 29 10.020 11.947 -4.763 1.00 0.00 C ATOM 2027 OG1 THR B 29 10.663 13.209 -4.766 1.00 0.00 O ATOM 2028 CG2 THR B 29 9.004 11.940 -5.880 1.00 0.00 C ATOM 0 H THR B 29 9.431 13.454 -2.331 1.00 0.00 H new ATOM 0 HA THR B 29 8.622 10.902 -3.513 1.00 0.00 H new ATOM 0 HB THR B 29 10.739 11.147 -4.940 1.00 0.00 H new ATOM 0 HG1 THR B 29 11.050 13.377 -5.651 1.00 0.00 H new ATOM 0 HG21 THR B 29 9.501 12.158 -6.825 1.00 0.00 H new ATOM 0 HG22 THR B 29 8.532 10.959 -5.936 1.00 0.00 H new ATOM 0 HG23 THR B 29 8.245 12.698 -5.686 1.00 0.00 H new ATOM 2036 N LEU B 30 10.655 9.777 -2.540 1.00 0.00 N ATOM 2037 CA LEU B 30 11.650 9.096 -1.721 1.00 0.00 C ATOM 2038 C LEU B 30 12.825 8.653 -2.591 1.00 0.00 C ATOM 2039 O LEU B 30 13.097 9.269 -3.615 1.00 0.00 O ATOM 2040 CB LEU B 30 11.027 7.889 -1.005 1.00 0.00 C ATOM 2041 CG LEU B 30 11.581 7.568 0.397 1.00 0.00 C ATOM 2042 CD1 LEU B 30 11.971 6.101 0.494 1.00 0.00 C ATOM 2043 CD2 LEU B 30 12.771 8.454 0.749 1.00 0.00 C ATOM 0 H LEU B 30 10.126 9.161 -3.157 1.00 0.00 H new ATOM 0 HA LEU B 30 12.014 9.790 -0.963 1.00 0.00 H new ATOM 0 HB2 LEU B 30 9.954 8.059 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.161 7.010 -1.636 1.00 0.00 H new ATOM 0 HG LEU B 30 10.788 7.773 1.117 1.00 0.00 H new ATOM 0 HD11 LEU B 30 12.360 5.893 1.491 1.00 0.00 H new ATOM 0 HD12 LEU B 30 11.095 5.479 0.309 1.00 0.00 H new ATOM 0 HD13 LEU B 30 12.738 5.878 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU B 30 13.134 8.198 1.744 1.00 0.00 H new ATOM 0 HD22 LEU B 30 13.568 8.299 0.022 1.00 0.00 H new ATOM 0 HD23 LEU B 30 12.463 9.500 0.733 1.00 0.00 H new ATOM 2055 N SER B 31 13.516 7.586 -2.195 1.00 0.00 N ATOM 2056 CA SER B 31 14.646 7.092 -2.962 1.00 0.00 C ATOM 2057 C SER B 31 14.780 5.582 -2.830 1.00 0.00 C ATOM 2058 O SER B 31 14.466 5.004 -1.790 1.00 0.00 O ATOM 2059 CB SER B 31 15.936 7.767 -2.501 1.00 0.00 C ATOM 2060 OG SER B 31 15.694 9.098 -2.080 1.00 0.00 O ATOM 0 H SER B 31 13.311 7.052 -1.350 1.00 0.00 H new ATOM 0 HA SER B 31 14.469 7.332 -4.010 1.00 0.00 H new ATOM 0 HB2 SER B 31 16.375 7.198 -1.682 1.00 0.00 H new ATOM 0 HB3 SER B 31 16.661 7.766 -3.315 1.00 0.00 H new ATOM 0 HG SER B 31 16.492 9.450 -1.633 1.00 0.00 H new ATOM 2066 N LYS B 32 15.256 4.955 -3.896 1.00 0.00 N ATOM 2067 CA LYS B 32 15.451 3.508 -3.920 1.00 0.00 C ATOM 2068 C LYS B 32 16.293 3.059 -2.739 1.00 0.00 C ATOM 2069 O LYS B 32 15.978 2.068 -2.080 1.00 0.00 O ATOM 2070 CB LYS B 32 16.130 3.081 -5.226 1.00 0.00 C ATOM 2071 CG LYS B 32 15.643 3.836 -6.452 1.00 0.00 C ATOM 2072 CD LYS B 32 16.606 4.945 -6.845 1.00 0.00 C ATOM 2073 CE LYS B 32 15.915 6.016 -7.673 1.00 0.00 C ATOM 2074 NZ LYS B 32 16.668 7.300 -7.662 1.00 0.00 N ATOM 0 H LYS B 32 15.516 5.427 -4.762 1.00 0.00 H new ATOM 0 HA LYS B 32 14.471 3.035 -3.854 1.00 0.00 H new ATOM 0 HB2 LYS B 32 17.206 3.224 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS B 32 15.963 2.015 -5.379 1.00 0.00 H new ATOM 0 HG2 LYS B 32 15.526 3.142 -7.285 1.00 0.00 H new ATOM 0 HG3 LYS B 32 14.660 4.261 -6.251 1.00 0.00 H new ATOM 0 HD2 LYS B 32 17.030 5.395 -5.947 1.00 0.00 H new ATOM 0 HD3 LYS B 32 17.436 4.524 -7.413 1.00 0.00 H new ATOM 0 HE2 LYS B 32 15.807 5.667 -8.700 1.00 0.00 H new ATOM 0 HE3 LYS B 32 14.910 6.182 -7.286 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 16.163 8.003 -8.238 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 16.749 7.647 -6.685 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 17.619 7.148 -8.055 1.00 0.00 H new ATOM 2088 N THR B 33 17.367 3.788 -2.481 1.00 0.00 N ATOM 2089 CA THR B 33 18.253 3.464 -1.388 1.00 0.00 C ATOM 2090 C THR B 33 17.639 3.837 -0.052 1.00 0.00 C ATOM 2091 O THR B 33 17.816 3.127 0.935 1.00 0.00 O ATOM 2092 CB THR B 33 19.589 4.159 -1.579 1.00 0.00 C ATOM 2093 OG1 THR B 33 20.410 3.449 -2.489 1.00 0.00 O ATOM 2094 CG2 THR B 33 20.352 4.324 -0.293 1.00 0.00 C ATOM 0 H THR B 33 17.642 4.610 -3.019 1.00 0.00 H new ATOM 0 HA THR B 33 18.414 2.386 -1.386 1.00 0.00 H new ATOM 0 HB THR B 33 19.349 5.147 -1.972 1.00 0.00 H new ATOM 0 HG1 THR B 33 21.263 3.919 -2.595 1.00 0.00 H new ATOM 0 HG21 THR B 33 21.298 4.827 -0.493 1.00 0.00 H new ATOM 0 HG22 THR B 33 19.764 4.921 0.405 1.00 0.00 H new ATOM 0 HG23 THR B 33 20.547 3.344 0.143 1.00 0.00 H new ATOM 2102 N GLU B 34 16.909 4.942 -0.016 1.00 0.00 N ATOM 2103 CA GLU B 34 16.276 5.365 1.221 1.00 0.00 C ATOM 2104 C GLU B 34 15.415 4.228 1.747 1.00 0.00 C ATOM 2105 O GLU B 34 15.260 4.050 2.954 1.00 0.00 O ATOM 2106 CB GLU B 34 15.434 6.619 0.994 1.00 0.00 C ATOM 2107 CG GLU B 34 16.048 7.868 1.602 1.00 0.00 C ATOM 2108 CD GLU B 34 16.408 8.909 0.560 1.00 0.00 C ATOM 2109 OE1 GLU B 34 17.322 8.647 -0.250 1.00 0.00 O ATOM 2110 OE2 GLU B 34 15.776 9.987 0.554 1.00 0.00 O ATOM 0 H GLU B 34 16.743 5.552 -0.816 1.00 0.00 H new ATOM 0 HA GLU B 34 17.042 5.610 1.956 1.00 0.00 H new ATOM 0 HB2 GLU B 34 15.301 6.771 -0.077 1.00 0.00 H new ATOM 0 HB3 GLU B 34 14.442 6.465 1.419 1.00 0.00 H new ATOM 0 HG2 GLU B 34 15.348 8.302 2.316 1.00 0.00 H new ATOM 0 HG3 GLU B 34 16.943 7.593 2.160 1.00 0.00 H new ATOM 2117 N PHE B 35 14.893 3.435 0.817 1.00 0.00 N ATOM 2118 CA PHE B 35 14.085 2.281 1.165 1.00 0.00 C ATOM 2119 C PHE B 35 14.977 1.106 1.534 1.00 0.00 C ATOM 2120 O PHE B 35 14.759 0.447 2.549 1.00 0.00 O ATOM 2121 CB PHE B 35 13.158 1.887 0.023 1.00 0.00 C ATOM 2122 CG PHE B 35 12.027 1.036 0.507 1.00 0.00 C ATOM 2123 CD1 PHE B 35 12.284 -0.188 1.096 1.00 0.00 C ATOM 2124 CD2 PHE B 35 10.718 1.467 0.406 1.00 0.00 C ATOM 2125 CE1 PHE B 35 11.258 -0.970 1.572 1.00 0.00 C ATOM 2126 CE2 PHE B 35 9.684 0.687 0.884 1.00 0.00 C ATOM 2127 CZ PHE B 35 9.955 -0.534 1.468 1.00 0.00 C ATOM 0 H PHE B 35 15.018 3.575 -0.186 1.00 0.00 H new ATOM 0 HA PHE B 35 13.471 2.552 2.024 1.00 0.00 H new ATOM 0 HB2 PHE B 35 12.762 2.784 -0.453 1.00 0.00 H new ATOM 0 HB3 PHE B 35 13.723 1.346 -0.736 1.00 0.00 H new ATOM 0 HD1 PHE B 35 13.303 -0.534 1.183 1.00 0.00 H new ATOM 0 HD2 PHE B 35 10.502 2.422 -0.051 1.00 0.00 H new ATOM 0 HE1 PHE B 35 11.473 -1.925 2.027 1.00 0.00 H new ATOM 0 HE2 PHE B 35 8.664 1.032 0.801 1.00 0.00 H new ATOM 0 HZ PHE B 35 9.148 -1.146 1.842 1.00 0.00 H new ATOM 2137 N LEU B 36 15.987 0.840 0.703 1.00 0.00 N ATOM 2138 CA LEU B 36 16.893 -0.260 0.959 1.00 0.00 C ATOM 2139 C LEU B 36 17.661 -0.029 2.257 1.00 0.00 C ATOM 2140 O LEU B 36 18.036 -0.977 2.946 1.00 0.00 O ATOM 2141 CB LEU B 36 17.819 -0.444 -0.241 1.00 0.00 C ATOM 2142 CG LEU B 36 19.127 0.328 -0.226 1.00 0.00 C ATOM 2143 CD1 LEU B 36 20.239 -0.506 0.388 1.00 0.00 C ATOM 2144 CD2 LEU B 36 19.462 0.726 -1.649 1.00 0.00 C ATOM 0 H LEU B 36 16.190 1.371 -0.144 1.00 0.00 H new ATOM 0 HA LEU B 36 16.328 -1.183 1.090 1.00 0.00 H new ATOM 0 HB2 LEU B 36 18.053 -1.505 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU B 36 17.270 -0.163 -1.139 1.00 0.00 H new ATOM 0 HG LEU B 36 19.024 1.223 0.388 1.00 0.00 H new ATOM 0 HD11 LEU B 36 21.166 0.067 0.388 1.00 0.00 H new ATOM 0 HD12 LEU B 36 19.974 -0.768 1.412 1.00 0.00 H new ATOM 0 HD13 LEU B 36 20.375 -1.417 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU B 36 20.399 1.282 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU B 36 19.564 -0.169 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU B 36 18.664 1.351 -2.049 1.00 0.00 H new ATOM 2156 N SER B 37 17.854 1.241 2.607 1.00 0.00 N ATOM 2157 CA SER B 37 18.530 1.598 3.845 1.00 0.00 C ATOM 2158 C SER B 37 17.544 1.521 5.009 1.00 0.00 C ATOM 2159 O SER B 37 17.924 1.264 6.151 1.00 0.00 O ATOM 2160 CB SER B 37 19.121 3.006 3.748 1.00 0.00 C ATOM 2161 OG SER B 37 20.434 2.974 3.215 1.00 0.00 O ATOM 0 H SER B 37 17.550 2.038 2.048 1.00 0.00 H new ATOM 0 HA SER B 37 19.345 0.895 4.016 1.00 0.00 H new ATOM 0 HB2 SER B 37 18.485 3.628 3.118 1.00 0.00 H new ATOM 0 HB3 SER B 37 19.138 3.465 4.736 1.00 0.00 H new ATOM 0 HG SER B 37 20.788 3.886 3.162 1.00 0.00 H new ATOM 2167 N PHE B 38 16.268 1.747 4.694 1.00 0.00 N ATOM 2168 CA PHE B 38 15.198 1.706 5.684 1.00 0.00 C ATOM 2169 C PHE B 38 15.130 0.341 6.359 1.00 0.00 C ATOM 2170 O PHE B 38 15.180 0.238 7.585 1.00 0.00 O ATOM 2171 CB PHE B 38 13.860 2.019 5.008 1.00 0.00 C ATOM 2172 CG PHE B 38 12.765 2.406 5.960 1.00 0.00 C ATOM 2173 CD1 PHE B 38 12.291 1.503 6.898 1.00 0.00 C ATOM 2174 CD2 PHE B 38 12.205 3.672 5.911 1.00 0.00 C ATOM 2175 CE1 PHE B 38 11.278 1.857 7.769 1.00 0.00 C ATOM 2176 CE2 PHE B 38 11.191 4.031 6.779 1.00 0.00 C ATOM 2177 CZ PHE B 38 10.727 3.122 7.710 1.00 0.00 C ATOM 0 H PHE B 38 15.951 1.963 3.749 1.00 0.00 H new ATOM 0 HA PHE B 38 15.406 2.454 6.449 1.00 0.00 H new ATOM 0 HB2 PHE B 38 14.008 2.828 4.293 1.00 0.00 H new ATOM 0 HB3 PHE B 38 13.540 1.146 4.439 1.00 0.00 H new ATOM 0 HD1 PHE B 38 12.718 0.512 6.949 1.00 0.00 H new ATOM 0 HD2 PHE B 38 12.565 4.387 5.186 1.00 0.00 H new ATOM 0 HE1 PHE B 38 10.917 1.144 8.496 1.00 0.00 H new ATOM 0 HE2 PHE B 38 10.762 5.021 6.729 1.00 0.00 H new ATOM 0 HZ PHE B 38 9.935 3.400 8.390 1.00 0.00 H new ATOM 2187 N MET B 39 15.011 -0.708 5.552 1.00 0.00 N ATOM 2188 CA MET B 39 14.930 -2.070 6.069 1.00 0.00 C ATOM 2189 C MET B 39 16.032 -2.345 7.089 1.00 0.00 C ATOM 2190 O MET B 39 15.858 -3.146 8.004 1.00 0.00 O ATOM 2191 CB MET B 39 15.014 -3.073 4.918 1.00 0.00 C ATOM 2192 CG MET B 39 14.036 -2.783 3.789 1.00 0.00 C ATOM 2193 SD MET B 39 13.250 -4.273 3.144 1.00 0.00 S ATOM 2194 CE MET B 39 11.772 -4.346 4.154 1.00 0.00 C ATOM 0 H MET B 39 14.968 -0.641 4.535 1.00 0.00 H new ATOM 0 HA MET B 39 13.971 -2.182 6.575 1.00 0.00 H new ATOM 0 HB2 MET B 39 16.028 -3.072 4.519 1.00 0.00 H new ATOM 0 HB3 MET B 39 14.824 -4.074 5.304 1.00 0.00 H new ATOM 0 HG2 MET B 39 13.267 -2.098 4.147 1.00 0.00 H new ATOM 0 HG3 MET B 39 14.562 -2.276 2.980 1.00 0.00 H new ATOM 0 HE1 MET B 39 11.155 -5.187 3.836 1.00 0.00 H new ATOM 0 HE2 MET B 39 12.052 -4.476 5.199 1.00 0.00 H new ATOM 0 HE3 MET B 39 11.209 -3.420 4.042 1.00 0.00 H new ATOM 2204 N ASN B 40 17.166 -1.681 6.920 1.00 0.00 N ATOM 2205 CA ASN B 40 18.297 -1.857 7.820 1.00 0.00 C ATOM 2206 C ASN B 40 18.064 -1.190 9.177 1.00 0.00 C ATOM 2207 O ASN B 40 18.748 -1.506 10.151 1.00 0.00 O ATOM 2208 CB ASN B 40 19.570 -1.298 7.182 1.00 0.00 C ATOM 2209 CG ASN B 40 20.063 -2.153 6.031 1.00 0.00 C ATOM 2210 OD1 ASN B 40 20.874 -3.059 6.219 1.00 0.00 O ATOM 2211 ND2 ASN B 40 19.573 -1.867 4.831 1.00 0.00 N ATOM 0 H ASN B 40 17.328 -1.014 6.166 1.00 0.00 H new ATOM 0 HA ASN B 40 18.409 -2.927 7.992 1.00 0.00 H new ATOM 0 HB2 ASN B 40 19.380 -0.286 6.824 1.00 0.00 H new ATOM 0 HB3 ASN B 40 20.351 -1.227 7.939 1.00 0.00 H new ATOM 0 HD21 ASN B 40 19.867 -2.408 4.018 1.00 0.00 H new ATOM 0 HD22 ASN B 40 18.902 -1.106 4.722 1.00 0.00 H new ATOM 2218 N THR B 41 17.126 -0.245 9.240 1.00 0.00 N ATOM 2219 CA THR B 41 16.862 0.471 10.489 1.00 0.00 C ATOM 2220 C THR B 41 15.574 0.028 11.182 1.00 0.00 C ATOM 2221 O THR B 41 15.579 -0.236 12.386 1.00 0.00 O ATOM 2222 CB THR B 41 16.810 1.981 10.241 1.00 0.00 C ATOM 2223 OG1 THR B 41 16.211 2.650 11.335 1.00 0.00 O ATOM 2224 CG2 THR B 41 16.044 2.370 8.994 1.00 0.00 C ATOM 0 H THR B 41 16.543 0.040 8.453 1.00 0.00 H new ATOM 0 HA THR B 41 17.688 0.225 11.156 1.00 0.00 H new ATOM 0 HB THR B 41 17.850 2.279 10.111 1.00 0.00 H new ATOM 0 HG1 THR B 41 16.189 3.613 11.157 1.00 0.00 H new ATOM 0 HG21 THR B 41 16.051 3.455 8.886 1.00 0.00 H new ATOM 0 HG22 THR B 41 16.514 1.915 8.122 1.00 0.00 H new ATOM 0 HG23 THR B 41 15.015 2.020 9.075 1.00 0.00 H new ATOM 2232 N GLU B 42 14.463 -0.008 10.453 1.00 0.00 N ATOM 2233 CA GLU B 42 13.184 -0.367 11.063 1.00 0.00 C ATOM 2234 C GLU B 42 12.447 -1.477 10.309 1.00 0.00 C ATOM 2235 O GLU B 42 11.484 -2.041 10.826 1.00 0.00 O ATOM 2236 CB GLU B 42 12.293 0.876 11.157 1.00 0.00 C ATOM 2237 CG GLU B 42 13.051 2.157 11.485 1.00 0.00 C ATOM 2238 CD GLU B 42 13.035 2.480 12.967 1.00 0.00 C ATOM 2239 OE1 GLU B 42 13.666 1.734 13.744 1.00 0.00 O ATOM 2240 OE2 GLU B 42 12.389 3.479 13.349 1.00 0.00 O ATOM 0 H GLU B 42 14.419 0.203 9.456 1.00 0.00 H new ATOM 0 HA GLU B 42 13.404 -0.756 12.057 1.00 0.00 H new ATOM 0 HB2 GLU B 42 11.769 1.008 10.210 1.00 0.00 H new ATOM 0 HB3 GLU B 42 11.533 0.709 11.921 1.00 0.00 H new ATOM 0 HG2 GLU B 42 14.083 2.060 11.149 1.00 0.00 H new ATOM 0 HG3 GLU B 42 12.612 2.987 10.931 1.00 0.00 H new ATOM 2247 N LEU B 43 12.891 -1.796 9.101 1.00 0.00 N ATOM 2248 CA LEU B 43 12.252 -2.843 8.315 1.00 0.00 C ATOM 2249 C LEU B 43 13.233 -3.978 8.054 1.00 0.00 C ATOM 2250 O LEU B 43 13.366 -4.462 6.931 1.00 0.00 O ATOM 2251 CB LEU B 43 11.715 -2.271 6.996 1.00 0.00 C ATOM 2252 CG LEU B 43 10.217 -1.959 6.980 1.00 0.00 C ATOM 2253 CD1 LEU B 43 9.764 -1.602 5.573 1.00 0.00 C ATOM 2254 CD2 LEU B 43 9.421 -3.138 7.518 1.00 0.00 C ATOM 0 H LEU B 43 13.686 -1.348 8.646 1.00 0.00 H new ATOM 0 HA LEU B 43 11.409 -3.241 8.880 1.00 0.00 H new ATOM 0 HB2 LEU B 43 12.262 -1.357 6.766 1.00 0.00 H new ATOM 0 HB3 LEU B 43 11.930 -2.981 6.197 1.00 0.00 H new ATOM 0 HG LEU B 43 10.035 -1.101 7.627 1.00 0.00 H new ATOM 0 HD11 LEU B 43 8.696 -1.383 5.579 1.00 0.00 H new ATOM 0 HD12 LEU B 43 10.312 -0.726 5.225 1.00 0.00 H new ATOM 0 HD13 LEU B 43 9.958 -2.441 4.904 1.00 0.00 H new ATOM 0 HD21 LEU B 43 8.358 -2.898 7.499 1.00 0.00 H new ATOM 0 HD22 LEU B 43 9.606 -4.015 6.898 1.00 0.00 H new ATOM 0 HD23 LEU B 43 9.728 -3.347 8.543 1.00 0.00 H new ATOM 2266 N ALA B 44 13.919 -4.395 9.112 1.00 0.00 N ATOM 2267 CA ALA B 44 14.894 -5.469 9.020 1.00 0.00 C ATOM 2268 C ALA B 44 14.216 -6.830 9.105 1.00 0.00 C ATOM 2269 O ALA B 44 14.684 -7.805 8.518 1.00 0.00 O ATOM 2270 CB ALA B 44 15.935 -5.316 10.117 1.00 0.00 C ATOM 0 H ALA B 44 13.815 -4.001 10.047 1.00 0.00 H new ATOM 0 HA ALA B 44 15.391 -5.407 8.052 1.00 0.00 H new ATOM 0 HB1 ALA B 44 16.663 -6.124 10.043 1.00 0.00 H new ATOM 0 HB2 ALA B 44 16.443 -4.358 10.005 1.00 0.00 H new ATOM 0 HB3 ALA B 44 15.446 -5.356 11.090 1.00 0.00 H new ATOM 2276 N ALA B 45 13.104 -6.889 9.832 1.00 0.00 N ATOM 2277 CA ALA B 45 12.356 -8.130 9.983 1.00 0.00 C ATOM 2278 C ALA B 45 12.002 -8.721 8.622 1.00 0.00 C ATOM 2279 O ALA B 45 11.821 -9.931 8.485 1.00 0.00 O ATOM 2280 CB ALA B 45 11.096 -7.889 10.802 1.00 0.00 C ATOM 0 H ALA B 45 12.702 -6.092 10.325 1.00 0.00 H new ATOM 0 HA ALA B 45 12.985 -8.847 10.510 1.00 0.00 H new ATOM 0 HB1 ALA B 45 10.546 -8.824 10.907 1.00 0.00 H new ATOM 0 HB2 ALA B 45 11.369 -7.516 11.789 1.00 0.00 H new ATOM 0 HB3 ALA B 45 10.469 -7.154 10.297 1.00 0.00 H new ATOM 2286 N PHE B 46 11.913 -7.854 7.617 1.00 0.00 N ATOM 2287 CA PHE B 46 11.588 -8.282 6.261 1.00 0.00 C ATOM 2288 C PHE B 46 12.856 -8.447 5.424 1.00 0.00 C ATOM 2289 O PHE B 46 12.810 -8.386 4.196 1.00 0.00 O ATOM 2290 CB PHE B 46 10.658 -7.265 5.596 1.00 0.00 C ATOM 2291 CG PHE B 46 9.229 -7.370 6.047 1.00 0.00 C ATOM 2292 CD1 PHE B 46 8.888 -7.139 7.371 1.00 0.00 C ATOM 2293 CD2 PHE B 46 8.227 -7.697 5.148 1.00 0.00 C ATOM 2294 CE1 PHE B 46 7.573 -7.234 7.788 1.00 0.00 C ATOM 2295 CE2 PHE B 46 6.911 -7.793 5.559 1.00 0.00 C ATOM 2296 CZ PHE B 46 6.584 -7.561 6.881 1.00 0.00 C ATOM 0 H PHE B 46 12.062 -6.850 7.717 1.00 0.00 H new ATOM 0 HA PHE B 46 11.083 -9.246 6.321 1.00 0.00 H new ATOM 0 HB2 PHE B 46 11.023 -6.260 5.806 1.00 0.00 H new ATOM 0 HB3 PHE B 46 10.700 -7.400 4.515 1.00 0.00 H new ATOM 0 HD1 PHE B 46 9.657 -6.882 8.084 1.00 0.00 H new ATOM 0 HD2 PHE B 46 8.477 -7.879 4.113 1.00 0.00 H new ATOM 0 HE1 PHE B 46 7.319 -7.053 8.822 1.00 0.00 H new ATOM 0 HE2 PHE B 46 6.140 -8.049 4.848 1.00 0.00 H new ATOM 0 HZ PHE B 46 5.556 -7.635 7.205 1.00 0.00 H new ATOM 2306 N THR B 47 13.985 -8.654 6.097 1.00 0.00 N ATOM 2307 CA THR B 47 15.262 -8.823 5.411 1.00 0.00 C ATOM 2308 C THR B 47 16.178 -9.775 6.177 1.00 0.00 C ATOM 2309 O THR B 47 16.869 -10.597 5.576 1.00 0.00 O ATOM 2310 CB THR B 47 15.950 -7.468 5.232 1.00 0.00 C ATOM 2311 OG1 THR B 47 16.427 -6.980 6.473 1.00 0.00 O ATOM 2312 CG2 THR B 47 15.042 -6.412 4.640 1.00 0.00 C ATOM 0 H THR B 47 14.041 -8.709 7.114 1.00 0.00 H new ATOM 0 HA THR B 47 15.062 -9.256 4.431 1.00 0.00 H new ATOM 0 HB THR B 47 16.771 -7.649 4.538 1.00 0.00 H new ATOM 0 HG1 THR B 47 15.868 -7.329 7.198 1.00 0.00 H new ATOM 0 HG21 THR B 47 15.591 -5.475 4.539 1.00 0.00 H new ATOM 0 HG22 THR B 47 14.697 -6.738 3.659 1.00 0.00 H new ATOM 0 HG23 THR B 47 14.184 -6.261 5.295 1.00 0.00 H new ATOM 2428 N VAL B 55 12.111 -10.768 -2.459 1.00 0.00 N ATOM 2429 CA VAL B 55 11.164 -9.819 -1.870 1.00 0.00 C ATOM 2430 C VAL B 55 11.723 -8.403 -1.927 1.00 0.00 C ATOM 2431 O VAL B 55 11.053 -7.472 -2.372 1.00 0.00 O ATOM 2432 CB VAL B 55 10.792 -10.184 -0.398 1.00 0.00 C ATOM 2433 CG1 VAL B 55 11.300 -11.565 -0.023 1.00 0.00 C ATOM 2434 CG2 VAL B 55 11.311 -9.158 0.603 1.00 0.00 C ATOM 0 HA VAL B 55 10.251 -9.875 -2.462 1.00 0.00 H new ATOM 0 HB VAL B 55 9.703 -10.181 -0.351 1.00 0.00 H new ATOM 0 HG11 VAL B 55 11.024 -11.787 1.008 1.00 0.00 H new ATOM 0 HG12 VAL B 55 10.856 -12.308 -0.686 1.00 0.00 H new ATOM 0 HG13 VAL B 55 12.385 -11.593 -0.122 1.00 0.00 H new ATOM 0 HG21 VAL B 55 11.026 -9.457 1.612 1.00 0.00 H new ATOM 0 HG22 VAL B 55 12.397 -9.100 0.535 1.00 0.00 H new ATOM 0 HG23 VAL B 55 10.881 -8.182 0.379 1.00 0.00 H new ATOM 2444 N LEU B 56 12.953 -8.256 -1.462 1.00 0.00 N ATOM 2445 CA LEU B 56 13.620 -6.969 -1.437 1.00 0.00 C ATOM 2446 C LEU B 56 13.947 -6.495 -2.853 1.00 0.00 C ATOM 2447 O LEU B 56 13.621 -5.374 -3.233 1.00 0.00 O ATOM 2448 CB LEU B 56 14.891 -7.095 -0.597 1.00 0.00 C ATOM 2449 CG LEU B 56 15.958 -6.028 -0.833 1.00 0.00 C ATOM 2450 CD1 LEU B 56 15.574 -4.732 -0.142 1.00 0.00 C ATOM 2451 CD2 LEU B 56 17.304 -6.525 -0.338 1.00 0.00 C ATOM 0 H LEU B 56 13.514 -9.024 -1.093 1.00 0.00 H new ATOM 0 HA LEU B 56 12.960 -6.224 -0.992 1.00 0.00 H new ATOM 0 HB2 LEU B 56 14.610 -7.073 0.456 1.00 0.00 H new ATOM 0 HB3 LEU B 56 15.334 -8.072 -0.789 1.00 0.00 H new ATOM 0 HG LEU B 56 16.032 -5.831 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU B 56 16.345 -3.982 -0.320 1.00 0.00 H new ATOM 0 HD12 LEU B 56 14.623 -4.376 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU B 56 15.478 -4.906 0.930 1.00 0.00 H new ATOM 0 HD21 LEU B 56 18.060 -5.759 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU B 56 17.242 -6.741 0.728 1.00 0.00 H new ATOM 0 HD23 LEU B 56 17.578 -7.432 -0.877 1.00 0.00 H new ATOM 2463 N ASP B 57 14.592 -7.359 -3.622 1.00 0.00 N ATOM 2464 CA ASP B 57 14.968 -7.037 -4.995 1.00 0.00 C ATOM 2465 C ASP B 57 13.739 -6.746 -5.852 1.00 0.00 C ATOM 2466 O ASP B 57 13.810 -5.984 -6.816 1.00 0.00 O ATOM 2467 CB ASP B 57 15.768 -8.187 -5.608 1.00 0.00 C ATOM 2468 CG ASP B 57 16.745 -7.713 -6.665 1.00 0.00 C ATOM 2469 OD1 ASP B 57 17.340 -6.630 -6.482 1.00 0.00 O ATOM 2470 OD2 ASP B 57 16.918 -8.426 -7.677 1.00 0.00 O ATOM 0 H ASP B 57 14.868 -8.293 -3.319 1.00 0.00 H new ATOM 0 HA ASP B 57 15.587 -6.140 -4.970 1.00 0.00 H new ATOM 0 HB2 ASP B 57 16.313 -8.707 -4.820 1.00 0.00 H new ATOM 0 HB3 ASP B 57 15.081 -8.909 -6.050 1.00 0.00 H new ATOM 2475 N ARG B 58 12.611 -7.357 -5.497 1.00 0.00 N ATOM 2476 CA ARG B 58 11.371 -7.158 -6.240 1.00 0.00 C ATOM 2477 C ARG B 58 10.975 -5.687 -6.254 1.00 0.00 C ATOM 2478 O ARG B 58 10.431 -5.190 -7.239 1.00 0.00 O ATOM 2479 CB ARG B 58 10.242 -7.992 -5.628 1.00 0.00 C ATOM 2480 CG ARG B 58 9.885 -9.226 -6.442 1.00 0.00 C ATOM 2481 CD ARG B 58 8.986 -10.170 -5.659 1.00 0.00 C ATOM 2482 NE ARG B 58 7.704 -10.385 -6.327 1.00 0.00 N ATOM 2483 CZ ARG B 58 7.569 -11.022 -7.487 1.00 0.00 C ATOM 2484 NH1 ARG B 58 8.634 -11.505 -8.115 1.00 0.00 N ATOM 2485 NH2 ARG B 58 6.366 -11.178 -8.022 1.00 0.00 N ATOM 0 H ARG B 58 12.531 -7.992 -4.702 1.00 0.00 H new ATOM 0 HA ARG B 58 11.539 -7.483 -7.267 1.00 0.00 H new ATOM 0 HB2 ARG B 58 10.533 -8.301 -4.624 1.00 0.00 H new ATOM 0 HB3 ARG B 58 9.355 -7.367 -5.524 1.00 0.00 H new ATOM 0 HG2 ARG B 58 9.384 -8.924 -7.362 1.00 0.00 H new ATOM 0 HG3 ARG B 58 10.797 -9.748 -6.733 1.00 0.00 H new ATOM 0 HD2 ARG B 58 9.492 -11.127 -5.528 1.00 0.00 H new ATOM 0 HD3 ARG B 58 8.812 -9.762 -4.663 1.00 0.00 H new ATOM 0 HE ARG B 58 6.862 -10.025 -5.877 1.00 0.00 H new ATOM 0 HH11 ARG B 58 9.562 -11.389 -7.708 1.00 0.00 H new ATOM 0 HH12 ARG B 58 8.524 -11.993 -9.004 1.00 0.00 H new ATOM 0 HH21 ARG B 58 5.544 -10.810 -7.544 1.00 0.00 H new ATOM 0 HH22 ARG B 58 6.263 -11.666 -8.911 1.00 0.00 H new ATOM 2498 N MET B 59 11.244 -4.997 -5.152 1.00 0.00 N ATOM 2499 CA MET B 59 10.907 -3.586 -5.036 1.00 0.00 C ATOM 2500 C MET B 59 11.745 -2.739 -5.989 1.00 0.00 C ATOM 2501 O MET B 59 11.211 -1.961 -6.776 1.00 0.00 O ATOM 2502 CB MET B 59 11.092 -3.114 -3.585 1.00 0.00 C ATOM 2503 CG MET B 59 12.468 -2.528 -3.264 1.00 0.00 C ATOM 2504 SD MET B 59 12.571 -1.863 -1.590 1.00 0.00 S ATOM 2505 CE MET B 59 11.509 -3.011 -0.731 1.00 0.00 C ATOM 0 H MET B 59 11.694 -5.393 -4.327 1.00 0.00 H new ATOM 0 HA MET B 59 9.861 -3.461 -5.314 1.00 0.00 H new ATOM 0 HB2 MET B 59 10.334 -2.363 -3.364 1.00 0.00 H new ATOM 0 HB3 MET B 59 10.909 -3.957 -2.919 1.00 0.00 H new ATOM 0 HG2 MET B 59 13.226 -3.301 -3.390 1.00 0.00 H new ATOM 0 HG3 MET B 59 12.697 -1.738 -3.979 1.00 0.00 H new ATOM 0 HE1 MET B 59 11.932 -3.235 0.248 1.00 0.00 H new ATOM 0 HE2 MET B 59 10.520 -2.569 -0.607 1.00 0.00 H new ATOM 0 HE3 MET B 59 11.425 -3.931 -1.309 1.00 0.00 H new ATOM 2515 N MET B 60 13.058 -2.897 -5.908 1.00 0.00 N ATOM 2516 CA MET B 60 13.972 -2.140 -6.754 1.00 0.00 C ATOM 2517 C MET B 60 13.773 -2.481 -8.225 1.00 0.00 C ATOM 2518 O MET B 60 14.108 -1.690 -9.108 1.00 0.00 O ATOM 2519 CB MET B 60 15.413 -2.406 -6.327 1.00 0.00 C ATOM 2520 CG MET B 60 15.636 -2.187 -4.841 1.00 0.00 C ATOM 2521 SD MET B 60 16.031 -0.475 -4.444 1.00 0.00 S ATOM 2522 CE MET B 60 14.384 0.195 -4.237 1.00 0.00 C ATOM 0 H MET B 60 13.516 -3.543 -5.265 1.00 0.00 H new ATOM 0 HA MET B 60 13.756 -1.079 -6.632 1.00 0.00 H new ATOM 0 HB2 MET B 60 15.679 -3.432 -6.583 1.00 0.00 H new ATOM 0 HB3 MET B 60 16.080 -1.754 -6.890 1.00 0.00 H new ATOM 0 HG2 MET B 60 14.741 -2.485 -4.295 1.00 0.00 H new ATOM 0 HG3 MET B 60 16.446 -2.831 -4.500 1.00 0.00 H new ATOM 0 HE1 MET B 60 14.250 1.045 -4.907 1.00 0.00 H new ATOM 0 HE2 MET B 60 13.647 -0.573 -4.472 1.00 0.00 H new ATOM 0 HE3 MET B 60 14.251 0.522 -3.206 1.00 0.00 H new ATOM 2670 N GLN B 70 13.262 9.684 -8.987 1.00 0.00 N ATOM 2671 CA GLN B 70 12.973 9.592 -7.560 1.00 0.00 C ATOM 2672 C GLN B 70 11.706 8.788 -7.310 1.00 0.00 C ATOM 2673 O GLN B 70 10.854 8.680 -8.190 1.00 0.00 O ATOM 2674 CB GLN B 70 12.834 10.989 -6.951 1.00 0.00 C ATOM 2675 CG GLN B 70 14.132 11.532 -6.376 1.00 0.00 C ATOM 2676 CD GLN B 70 14.531 10.815 -5.105 1.00 0.00 C ATOM 2677 OE1 GLN B 70 15.043 9.597 -5.250 1.00 0.00 O flip ATOM 2678 NE2 GLN B 70 14.386 11.347 -4.004 1.00 0.00 N flip ATOM 0 HA GLN B 70 13.807 9.078 -7.082 1.00 0.00 H new ATOM 0 HB2 GLN B 70 12.469 11.675 -7.715 1.00 0.00 H new ATOM 0 HB3 GLN B 70 12.081 10.960 -6.163 1.00 0.00 H new ATOM 0 HG2 GLN B 70 14.927 11.430 -7.115 1.00 0.00 H new ATOM 0 HG3 GLN B 70 14.021 12.597 -6.172 1.00 0.00 H new ATOM 0 HE21 GLN B 70 13.989 12.284 -3.939 1.00 0.00 H new ATOM 0 HE22 GLN B 70 14.663 10.851 -3.157 1.00 0.00 H new ATOM 2687 N LEU B 71 11.592 8.214 -6.109 1.00 0.00 N ATOM 2688 CA LEU B 71 10.438 7.418 -5.751 1.00 0.00 C ATOM 2689 C LEU B 71 9.125 8.196 -5.962 1.00 0.00 C ATOM 2690 O LEU B 71 8.918 8.777 -7.025 1.00 0.00 O ATOM 2691 CB LEU B 71 10.591 6.946 -4.308 1.00 0.00 C ATOM 2692 CG LEU B 71 10.293 5.470 -4.089 1.00 0.00 C ATOM 2693 CD1 LEU B 71 11.529 4.757 -3.595 1.00 0.00 C ATOM 2694 CD2 LEU B 71 9.155 5.295 -3.105 1.00 0.00 C ATOM 0 H LEU B 71 12.293 8.292 -5.373 1.00 0.00 H new ATOM 0 HA LEU B 71 10.385 6.548 -6.406 1.00 0.00 H new ATOM 0 HB2 LEU B 71 11.610 7.150 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU B 71 9.928 7.535 -3.675 1.00 0.00 H new ATOM 0 HG LEU B 71 9.992 5.033 -5.041 1.00 0.00 H new ATOM 0 HD11 LEU B 71 11.304 3.702 -3.442 1.00 0.00 H new ATOM 0 HD12 LEU B 71 12.325 4.855 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU B 71 11.852 5.199 -2.653 1.00 0.00 H new ATOM 0 HD21 LEU B 71 8.958 4.233 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU B 71 9.427 5.745 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU B 71 8.260 5.781 -3.493 1.00 0.00 H new ATOM 2706 N ASP B 72 8.244 8.206 -4.954 1.00 0.00 N ATOM 2707 CA ASP B 72 6.962 8.908 -5.034 1.00 0.00 C ATOM 2708 C ASP B 72 6.020 8.389 -3.944 1.00 0.00 C ATOM 2709 O ASP B 72 6.470 8.017 -2.863 1.00 0.00 O ATOM 2710 CB ASP B 72 6.318 8.759 -6.426 1.00 0.00 C ATOM 2711 CG ASP B 72 5.998 7.322 -6.777 1.00 0.00 C ATOM 2712 OD1 ASP B 72 5.330 6.645 -5.969 1.00 0.00 O ATOM 2713 OD2 ASP B 72 6.416 6.870 -7.865 1.00 0.00 O ATOM 0 H ASP B 72 8.401 7.730 -4.066 1.00 0.00 H new ATOM 0 HA ASP B 72 7.145 9.971 -4.875 1.00 0.00 H new ATOM 0 HB2 ASP B 72 5.402 9.349 -6.462 1.00 0.00 H new ATOM 0 HB3 ASP B 72 6.992 9.170 -7.178 1.00 0.00 H new ATOM 2718 N PHE B 73 4.717 8.378 -4.214 1.00 0.00 N ATOM 2719 CA PHE B 73 3.744 7.920 -3.231 1.00 0.00 C ATOM 2720 C PHE B 73 3.576 6.397 -3.215 1.00 0.00 C ATOM 2721 O PHE B 73 3.764 5.765 -2.175 1.00 0.00 O ATOM 2722 CB PHE B 73 2.392 8.589 -3.476 1.00 0.00 C ATOM 2723 CG PHE B 73 1.744 8.199 -4.774 1.00 0.00 C ATOM 2724 CD1 PHE B 73 2.108 8.813 -5.962 1.00 0.00 C ATOM 2725 CD2 PHE B 73 0.766 7.218 -4.804 1.00 0.00 C ATOM 2726 CE1 PHE B 73 1.511 8.454 -7.156 1.00 0.00 C ATOM 2727 CE2 PHE B 73 0.164 6.855 -5.996 1.00 0.00 C ATOM 2728 CZ PHE B 73 0.538 7.475 -7.172 1.00 0.00 C ATOM 0 H PHE B 73 4.314 8.680 -5.101 1.00 0.00 H new ATOM 0 HA PHE B 73 4.131 8.207 -2.253 1.00 0.00 H new ATOM 0 HB2 PHE B 73 1.720 8.337 -2.656 1.00 0.00 H new ATOM 0 HB3 PHE B 73 2.525 9.671 -3.459 1.00 0.00 H new ATOM 0 HD1 PHE B 73 2.867 9.581 -5.955 1.00 0.00 H new ATOM 0 HD2 PHE B 73 0.470 6.731 -3.887 1.00 0.00 H new ATOM 0 HE1 PHE B 73 1.805 8.939 -8.075 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -0.597 6.088 -6.007 1.00 0.00 H new ATOM 0 HZ PHE B 73 0.069 7.194 -8.104 1.00 0.00 H new ATOM 2738 N GLN B 74 3.195 5.807 -4.349 1.00 0.00 N ATOM 2739 CA GLN B 74 2.981 4.364 -4.401 1.00 0.00 C ATOM 2740 C GLN B 74 4.282 3.593 -4.543 1.00 0.00 C ATOM 2741 O GLN B 74 4.402 2.499 -4.010 1.00 0.00 O ATOM 2742 CB GLN B 74 2.030 3.973 -5.536 1.00 0.00 C ATOM 2743 CG GLN B 74 1.805 2.464 -5.646 1.00 0.00 C ATOM 2744 CD GLN B 74 1.524 1.802 -4.303 1.00 0.00 C ATOM 2745 OE1 GLN B 74 2.129 0.634 -4.066 1.00 0.00 O flip ATOM 2746 NE2 GLN B 74 0.772 2.333 -3.486 1.00 0.00 N flip ATOM 0 H GLN B 74 3.031 6.297 -5.228 1.00 0.00 H new ATOM 0 HA GLN B 74 2.525 4.095 -3.448 1.00 0.00 H new ATOM 0 HB2 GLN B 74 1.070 4.466 -5.382 1.00 0.00 H new ATOM 0 HB3 GLN B 74 2.431 4.343 -6.480 1.00 0.00 H new ATOM 0 HG2 GLN B 74 0.969 2.276 -6.319 1.00 0.00 H new ATOM 0 HG3 GLN B 74 2.685 2.003 -6.094 1.00 0.00 H new ATOM 0 HE21 GLN B 74 0.329 3.225 -3.705 1.00 0.00 H new ATOM 0 HE22 GLN B 74 0.591 1.881 -2.590 1.00 0.00 H new ATOM 2755 N GLU B 75 5.254 4.145 -5.267 1.00 0.00 N ATOM 2756 CA GLU B 75 6.526 3.451 -5.457 1.00 0.00 C ATOM 2757 C GLU B 75 7.011 2.866 -4.137 1.00 0.00 C ATOM 2758 O GLU B 75 7.513 1.743 -4.090 1.00 0.00 O ATOM 2759 CB GLU B 75 7.583 4.389 -6.033 1.00 0.00 C ATOM 2760 CG GLU B 75 8.188 3.887 -7.330 1.00 0.00 C ATOM 2761 CD GLU B 75 9.035 4.935 -8.027 1.00 0.00 C ATOM 2762 OE1 GLU B 75 8.462 5.769 -8.760 1.00 0.00 O ATOM 2763 OE2 GLU B 75 10.269 4.921 -7.840 1.00 0.00 O ATOM 0 H GLU B 75 5.188 5.054 -5.724 1.00 0.00 H new ATOM 0 HA GLU B 75 6.364 2.641 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU B 75 7.136 5.368 -6.204 1.00 0.00 H new ATOM 0 HB3 GLU B 75 8.377 4.525 -5.299 1.00 0.00 H new ATOM 0 HG2 GLU B 75 8.801 3.009 -7.124 1.00 0.00 H new ATOM 0 HG3 GLU B 75 7.389 3.568 -7.999 1.00 0.00 H new ATOM 2770 N PHE B 76 6.823 3.619 -3.059 1.00 0.00 N ATOM 2771 CA PHE B 76 7.208 3.150 -1.740 1.00 0.00 C ATOM 2772 C PHE B 76 6.244 2.055 -1.307 1.00 0.00 C ATOM 2773 O PHE B 76 6.657 0.950 -0.962 1.00 0.00 O ATOM 2774 CB PHE B 76 7.211 4.298 -0.732 1.00 0.00 C ATOM 2775 CG PHE B 76 7.856 3.939 0.576 1.00 0.00 C ATOM 2776 CD1 PHE B 76 7.321 2.947 1.383 1.00 0.00 C ATOM 2777 CD2 PHE B 76 9.007 4.587 0.996 1.00 0.00 C ATOM 2778 CE1 PHE B 76 7.921 2.610 2.581 1.00 0.00 C ATOM 2779 CE2 PHE B 76 9.611 4.254 2.193 1.00 0.00 C ATOM 2780 CZ PHE B 76 9.067 3.263 2.986 1.00 0.00 C ATOM 0 H PHE B 76 6.409 4.551 -3.075 1.00 0.00 H new ATOM 0 HA PHE B 76 8.221 2.749 -1.780 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.734 5.151 -1.165 1.00 0.00 H new ATOM 0 HB3 PHE B 76 6.184 4.613 -0.548 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.425 2.431 1.072 1.00 0.00 H new ATOM 0 HD2 PHE B 76 9.437 5.362 0.379 1.00 0.00 H new ATOM 0 HE1 PHE B 76 7.493 1.836 3.200 1.00 0.00 H new ATOM 0 HE2 PHE B 76 10.507 4.768 2.508 1.00 0.00 H new ATOM 0 HZ PHE B 76 9.538 3.000 3.922 1.00 0.00 H new ATOM 2790 N LEU B 77 4.947 2.361 -1.365 1.00 0.00 N ATOM 2791 CA LEU B 77 3.921 1.390 -1.020 1.00 0.00 C ATOM 2792 C LEU B 77 4.105 0.137 -1.869 1.00 0.00 C ATOM 2793 O LEU B 77 3.867 -0.980 -1.417 1.00 0.00 O ATOM 2794 CB LEU B 77 2.531 1.993 -1.230 1.00 0.00 C ATOM 2795 CG LEU B 77 1.909 2.592 0.029 1.00 0.00 C ATOM 2796 CD1 LEU B 77 0.782 3.551 -0.323 1.00 0.00 C ATOM 2797 CD2 LEU B 77 1.419 1.483 0.937 1.00 0.00 C ATOM 0 H LEU B 77 4.588 3.273 -1.648 1.00 0.00 H new ATOM 0 HA LEU B 77 4.014 1.119 0.032 1.00 0.00 H new ATOM 0 HB2 LEU B 77 2.596 2.768 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU B 77 1.867 1.220 -1.617 1.00 0.00 H new ATOM 0 HG LEU B 77 2.671 3.165 0.558 1.00 0.00 H new ATOM 0 HD11 LEU B 77 0.356 3.964 0.592 1.00 0.00 H new ATOM 0 HD12 LEU B 77 1.173 4.361 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU B 77 0.008 3.017 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.976 1.916 1.834 1.00 0.00 H new ATOM 0 HD22 LEU B 77 0.670 0.888 0.414 1.00 0.00 H new ATOM 0 HD23 LEU B 77 2.257 0.846 1.218 1.00 0.00 H new ATOM 2809 N ASN B 78 4.567 0.347 -3.098 1.00 0.00 N ATOM 2810 CA ASN B 78 4.842 -0.741 -4.022 1.00 0.00 C ATOM 2811 C ASN B 78 6.098 -1.450 -3.561 1.00 0.00 C ATOM 2812 O ASN B 78 6.188 -2.678 -3.587 1.00 0.00 O ATOM 2813 CB ASN B 78 5.047 -0.198 -5.441 1.00 0.00 C ATOM 2814 CG ASN B 78 4.048 -0.751 -6.436 1.00 0.00 C ATOM 2815 OD1 ASN B 78 3.700 -1.931 -6.397 1.00 0.00 O ATOM 2816 ND2 ASN B 78 3.583 0.107 -7.335 1.00 0.00 N ATOM 0 H ASN B 78 4.760 1.274 -3.478 1.00 0.00 H new ATOM 0 HA ASN B 78 3.999 -1.432 -4.038 1.00 0.00 H new ATOM 0 HB2 ASN B 78 4.970 0.889 -5.423 1.00 0.00 H new ATOM 0 HB3 ASN B 78 6.056 -0.440 -5.775 1.00 0.00 H new ATOM 0 HD21 ASN B 78 2.907 -0.202 -8.034 1.00 0.00 H new ATOM 0 HD22 ASN B 78 3.901 1.076 -7.328 1.00 0.00 H new ATOM 2823 N LEU B 79 7.065 -0.651 -3.120 1.00 0.00 N ATOM 2824 CA LEU B 79 8.322 -1.176 -2.629 1.00 0.00 C ATOM 2825 C LEU B 79 8.066 -2.041 -1.399 1.00 0.00 C ATOM 2826 O LEU B 79 8.404 -3.221 -1.387 1.00 0.00 O ATOM 2827 CB LEU B 79 9.290 -0.031 -2.300 1.00 0.00 C ATOM 2828 CG LEU B 79 10.407 0.204 -3.327 1.00 0.00 C ATOM 2829 CD1 LEU B 79 9.873 0.180 -4.743 1.00 0.00 C ATOM 2830 CD2 LEU B 79 11.112 1.521 -3.074 1.00 0.00 C ATOM 0 H LEU B 79 6.995 0.366 -3.095 1.00 0.00 H new ATOM 0 HA LEU B 79 8.782 -1.791 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU B 79 8.715 0.889 -2.197 1.00 0.00 H new ATOM 0 HB3 LEU B 79 9.747 -0.232 -1.331 1.00 0.00 H new ATOM 0 HG LEU B 79 11.122 -0.610 -3.211 1.00 0.00 H new ATOM 0 HD11 LEU B 79 10.691 0.350 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU B 79 9.419 -0.790 -4.944 1.00 0.00 H new ATOM 0 HD13 LEU B 79 9.124 0.963 -4.863 1.00 0.00 H new ATOM 0 HD21 LEU B 79 11.898 1.661 -3.816 1.00 0.00 H new ATOM 0 HD22 LEU B 79 10.394 2.338 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU B 79 11.552 1.513 -2.077 1.00 0.00 H new ATOM 2842 N ILE B 80 7.439 -1.455 -0.377 1.00 0.00 N ATOM 2843 CA ILE B 80 7.117 -2.197 0.834 1.00 0.00 C ATOM 2844 C ILE B 80 6.013 -3.207 0.562 1.00 0.00 C ATOM 2845 O ILE B 80 6.083 -4.353 1.009 1.00 0.00 O ATOM 2846 CB ILE B 80 6.703 -1.284 2.010 1.00 0.00 C ATOM 2847 CG1 ILE B 80 6.810 -2.056 3.323 1.00 0.00 C ATOM 2848 CG2 ILE B 80 5.293 -0.763 1.832 1.00 0.00 C ATOM 2849 CD1 ILE B 80 5.654 -3.009 3.560 1.00 0.00 C ATOM 0 H ILE B 80 7.148 -0.477 -0.367 1.00 0.00 H new ATOM 0 HA ILE B 80 8.031 -2.713 1.129 1.00 0.00 H new ATOM 0 HB ILE B 80 7.378 -0.428 2.031 1.00 0.00 H new ATOM 0 HG12 ILE B 80 7.743 -2.620 3.329 1.00 0.00 H new ATOM 0 HG13 ILE B 80 6.861 -1.347 4.149 1.00 0.00 H new ATOM 0 HG21 ILE B 80 5.032 -0.124 2.676 1.00 0.00 H new ATOM 0 HG22 ILE B 80 5.232 -0.187 0.908 1.00 0.00 H new ATOM 0 HG23 ILE B 80 4.599 -1.602 1.784 1.00 0.00 H new ATOM 0 HD11 ILE B 80 5.796 -3.523 4.510 1.00 0.00 H new ATOM 0 HD12 ILE B 80 4.720 -2.448 3.587 1.00 0.00 H new ATOM 0 HD13 ILE B 80 5.615 -3.741 2.753 1.00 0.00 H new ATOM 2861 N GLY B 81 4.998 -2.783 -0.187 1.00 0.00 N ATOM 2862 CA GLY B 81 3.903 -3.676 -0.516 1.00 0.00 C ATOM 2863 C GLY B 81 4.419 -4.960 -1.117 1.00 0.00 C ATOM 2864 O GLY B 81 4.073 -6.051 -0.666 1.00 0.00 O ATOM 0 H GLY B 81 4.915 -1.841 -0.570 1.00 0.00 H new ATOM 0 HA2 GLY B 81 3.325 -3.896 0.382 1.00 0.00 H new ATOM 0 HA3 GLY B 81 3.227 -3.187 -1.218 1.00 0.00 H new ATOM 2868 N GLY B 82 5.278 -4.827 -2.124 1.00 0.00 N ATOM 2869 CA GLY B 82 5.863 -6.002 -2.752 1.00 0.00 C ATOM 2870 C GLY B 82 6.483 -6.938 -1.727 1.00 0.00 C ATOM 2871 O GLY B 82 6.339 -8.158 -1.825 1.00 0.00 O ATOM 0 H GLY B 82 5.579 -3.934 -2.515 1.00 0.00 H new ATOM 0 HA2 GLY B 82 5.095 -6.535 -3.314 1.00 0.00 H new ATOM 0 HA3 GLY B 82 6.624 -5.691 -3.468 1.00 0.00 H new ATOM 2875 N LEU B 83 7.165 -6.373 -0.732 1.00 0.00 N ATOM 2876 CA LEU B 83 7.783 -7.181 0.317 1.00 0.00 C ATOM 2877 C LEU B 83 6.733 -7.996 1.062 1.00 0.00 C ATOM 2878 O LEU B 83 6.910 -9.191 1.286 1.00 0.00 O ATOM 2879 CB LEU B 83 8.542 -6.293 1.301 1.00 0.00 C ATOM 2880 CG LEU B 83 9.230 -5.087 0.670 1.00 0.00 C ATOM 2881 CD1 LEU B 83 10.111 -4.378 1.684 1.00 0.00 C ATOM 2882 CD2 LEU B 83 10.036 -5.514 -0.546 1.00 0.00 C ATOM 0 H LEU B 83 7.303 -5.367 -0.630 1.00 0.00 H new ATOM 0 HA LEU B 83 8.486 -7.866 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU B 83 7.846 -5.940 2.062 1.00 0.00 H new ATOM 0 HB3 LEU B 83 9.293 -6.897 1.810 1.00 0.00 H new ATOM 0 HG LEU B 83 8.464 -4.384 0.343 1.00 0.00 H new ATOM 0 HD11 LEU B 83 10.592 -3.521 1.212 1.00 0.00 H new ATOM 0 HD12 LEU B 83 9.501 -4.037 2.520 1.00 0.00 H new ATOM 0 HD13 LEU B 83 10.873 -5.067 2.048 1.00 0.00 H new ATOM 0 HD21 LEU B 83 10.521 -4.642 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU B 83 10.794 -6.237 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU B 83 9.372 -5.969 -1.281 1.00 0.00 H new ATOM 2894 N ALA B 84 5.636 -7.344 1.443 1.00 0.00 N ATOM 2895 CA ALA B 84 4.561 -8.024 2.161 1.00 0.00 C ATOM 2896 C ALA B 84 4.058 -9.232 1.389 1.00 0.00 C ATOM 2897 O ALA B 84 3.565 -10.198 1.971 1.00 0.00 O ATOM 2898 CB ALA B 84 3.400 -7.079 2.392 1.00 0.00 C ATOM 0 H ALA B 84 5.469 -6.353 1.268 1.00 0.00 H new ATOM 0 HA ALA B 84 4.969 -8.356 3.116 1.00 0.00 H new ATOM 0 HB1 ALA B 84 2.607 -7.601 2.928 1.00 0.00 H new ATOM 0 HB2 ALA B 84 3.737 -6.226 2.982 1.00 0.00 H new ATOM 0 HB3 ALA B 84 3.019 -6.729 1.433 1.00 0.00 H new ATOM 2904 N VAL B 85 4.167 -9.154 0.075 1.00 0.00 N ATOM 2905 CA VAL B 85 3.701 -10.226 -0.791 1.00 0.00 C ATOM 2906 C VAL B 85 4.748 -11.309 -0.970 1.00 0.00 C ATOM 2907 O VAL B 85 4.439 -12.424 -1.389 1.00 0.00 O ATOM 2908 CB VAL B 85 3.248 -9.715 -2.178 1.00 0.00 C ATOM 2909 CG1 VAL B 85 1.818 -10.138 -2.419 1.00 0.00 C ATOM 2910 CG2 VAL B 85 3.363 -8.201 -2.304 1.00 0.00 C ATOM 0 H VAL B 85 4.574 -8.359 -0.418 1.00 0.00 H new ATOM 0 HA VAL B 85 2.835 -10.653 -0.284 1.00 0.00 H new ATOM 0 HB VAL B 85 3.909 -10.153 -2.926 1.00 0.00 H new ATOM 0 HG11 VAL B 85 1.493 -9.780 -3.396 1.00 0.00 H new ATOM 0 HG12 VAL B 85 1.750 -11.226 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL B 85 1.178 -9.714 -1.646 1.00 0.00 H new ATOM 0 HG21 VAL B 85 3.033 -7.892 -3.296 1.00 0.00 H new ATOM 0 HG22 VAL B 85 2.738 -7.725 -1.549 1.00 0.00 H new ATOM 0 HG23 VAL B 85 4.401 -7.901 -2.157 1.00 0.00 H new ATOM 2920 N ALA B 86 5.983 -10.979 -0.653 1.00 0.00 N ATOM 2921 CA ALA B 86 7.072 -11.922 -0.780 1.00 0.00 C ATOM 2922 C ALA B 86 7.706 -12.210 0.577 1.00 0.00 C ATOM 2923 O ALA B 86 8.741 -12.869 0.665 1.00 0.00 O ATOM 2924 CB ALA B 86 8.082 -11.365 -1.751 1.00 0.00 C ATOM 0 H ALA B 86 6.257 -10.061 -0.304 1.00 0.00 H new ATOM 0 HA ALA B 86 6.693 -12.871 -1.160 1.00 0.00 H new ATOM 0 HB1 ALA B 86 8.910 -12.066 -1.857 1.00 0.00 H new ATOM 0 HB2 ALA B 86 7.609 -11.213 -2.721 1.00 0.00 H new ATOM 0 HB3 ALA B 86 8.459 -10.413 -1.378 1.00 0.00 H new ATOM 2930 N CYS B 87 7.068 -11.711 1.633 1.00 0.00 N ATOM 2931 CA CYS B 87 7.551 -11.906 2.992 1.00 0.00 C ATOM 2932 C CYS B 87 6.385 -12.128 3.951 1.00 0.00 C ATOM 2933 O CYS B 87 6.479 -12.932 4.878 1.00 0.00 O ATOM 2934 CB CYS B 87 8.376 -10.699 3.441 1.00 0.00 C ATOM 2935 SG CYS B 87 9.783 -11.118 4.495 1.00 0.00 S ATOM 0 H CYS B 87 6.209 -11.165 1.569 1.00 0.00 H new ATOM 0 HA CYS B 87 8.185 -12.792 3.005 1.00 0.00 H new ATOM 0 HB2 CYS B 87 8.741 -10.173 2.559 1.00 0.00 H new ATOM 0 HB3 CYS B 87 7.726 -10.008 3.978 1.00 0.00 H new ATOM 0 HG CYS B 87 10.734 -10.250 4.315 1.00 0.00 H new ATOM 2941 N HIS B 88 5.284 -11.411 3.726 1.00 0.00 N ATOM 2942 CA HIS B 88 4.107 -11.541 4.579 1.00 0.00 C ATOM 2943 C HIS B 88 3.021 -12.366 3.893 1.00 0.00 C ATOM 2944 O HIS B 88 3.087 -12.624 2.692 1.00 0.00 O ATOM 2945 CB HIS B 88 3.560 -10.162 4.950 1.00 0.00 C ATOM 2946 CG HIS B 88 3.147 -10.053 6.385 1.00 0.00 C ATOM 2947 ND1 HIS B 88 4.023 -9.724 7.397 1.00 0.00 N ATOM 2948 CD2 HIS B 88 1.943 -10.238 6.976 1.00 0.00 C ATOM 2949 CE1 HIS B 88 3.377 -9.713 8.550 1.00 0.00 C ATOM 2950 NE2 HIS B 88 2.113 -10.021 8.321 1.00 0.00 N ATOM 0 H HIS B 88 5.184 -10.739 2.965 1.00 0.00 H new ATOM 0 HA HIS B 88 4.409 -12.059 5.489 1.00 0.00 H new ATOM 0 HB2 HIS B 88 4.320 -9.409 4.740 1.00 0.00 H new ATOM 0 HB3 HIS B 88 2.703 -9.936 4.315 1.00 0.00 H new ATOM 0 HD1 HIS B 88 5.015 -9.521 7.275 1.00 0.00 H new ATOM 0 HD2 HIS B 88 1.021 -10.506 6.482 1.00 0.00 H new ATOM 0 HE1 HIS B 88 3.809 -9.490 9.515 1.00 0.00 H new ATOM 2959 N GLU B 89 2.024 -12.782 4.670 1.00 0.00 N ATOM 2960 CA GLU B 89 0.923 -13.582 4.143 1.00 0.00 C ATOM 2961 C GLU B 89 0.181 -12.837 3.038 1.00 0.00 C ATOM 2962 O GLU B 89 -0.429 -11.796 3.279 1.00 0.00 O ATOM 2963 CB GLU B 89 -0.049 -13.952 5.265 1.00 0.00 C ATOM 2964 CG GLU B 89 -1.090 -14.980 4.854 1.00 0.00 C ATOM 2965 CD GLU B 89 -2.122 -15.230 5.935 1.00 0.00 C ATOM 2966 OE1 GLU B 89 -2.961 -14.337 6.174 1.00 0.00 O ATOM 2967 OE2 GLU B 89 -2.091 -16.321 6.543 1.00 0.00 O ATOM 0 H GLU B 89 1.956 -12.578 5.667 1.00 0.00 H new ATOM 0 HA GLU B 89 1.344 -14.493 3.719 1.00 0.00 H new ATOM 0 HB2 GLU B 89 0.517 -14.339 6.112 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -0.557 -13.050 5.607 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -1.593 -14.640 3.949 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -0.592 -15.918 4.609 1.00 0.00 H new ATOM 2974 N SER B 90 0.237 -13.382 1.827 1.00 0.00 N ATOM 2975 CA SER B 90 -0.431 -12.778 0.679 1.00 0.00 C ATOM 2976 C SER B 90 -0.228 -13.628 -0.572 1.00 0.00 C ATOM 2977 O SER B 90 -1.171 -14.234 -1.082 1.00 0.00 O ATOM 2978 CB SER B 90 0.096 -11.360 0.443 1.00 0.00 C ATOM 2979 OG SER B 90 -0.869 -10.560 -0.217 1.00 0.00 O ATOM 0 H SER B 90 0.740 -14.244 1.615 1.00 0.00 H new ATOM 0 HA SER B 90 -1.499 -12.727 0.893 1.00 0.00 H new ATOM 0 HB2 SER B 90 0.360 -10.904 1.397 1.00 0.00 H new ATOM 0 HB3 SER B 90 1.007 -11.402 -0.153 1.00 0.00 H new ATOM 0 HG SER B 90 -0.577 -9.625 -0.213 1.00 0.00 H new ATOM 2985 N PHE B 91 1.009 -13.672 -1.058 1.00 0.00 N ATOM 2986 CA PHE B 91 1.339 -14.454 -2.245 1.00 0.00 C ATOM 2987 C PHE B 91 2.283 -15.596 -1.894 1.00 0.00 C ATOM 2988 O PHE B 91 2.242 -16.661 -2.508 1.00 0.00 O ATOM 2989 CB PHE B 91 1.990 -13.569 -3.306 1.00 0.00 C ATOM 2990 CG PHE B 91 1.730 -14.029 -4.713 1.00 0.00 C ATOM 2991 CD1 PHE B 91 0.486 -13.852 -5.296 1.00 0.00 C ATOM 2992 CD2 PHE B 91 2.732 -14.639 -5.452 1.00 0.00 C ATOM 2993 CE1 PHE B 91 0.244 -14.275 -6.590 1.00 0.00 C ATOM 2994 CE2 PHE B 91 2.496 -15.064 -6.745 1.00 0.00 C ATOM 2995 CZ PHE B 91 1.251 -14.882 -7.315 1.00 0.00 C ATOM 0 H PHE B 91 1.800 -13.175 -0.648 1.00 0.00 H new ATOM 0 HA PHE B 91 0.411 -14.867 -2.640 1.00 0.00 H new ATOM 0 HB2 PHE B 91 1.623 -12.549 -3.192 1.00 0.00 H new ATOM 0 HB3 PHE B 91 3.066 -13.541 -3.134 1.00 0.00 H new ATOM 0 HD1 PHE B 91 -0.304 -13.378 -4.733 1.00 0.00 H new ATOM 0 HD2 PHE B 91 3.708 -14.783 -5.012 1.00 0.00 H new ATOM 0 HE1 PHE B 91 -0.730 -14.131 -7.033 1.00 0.00 H new ATOM 0 HE2 PHE B 91 3.285 -15.538 -7.310 1.00 0.00 H new ATOM 0 HZ PHE B 91 1.065 -15.214 -8.326 1.00 0.00 H new ATOM 3005 N VAL B 92 3.141 -15.361 -0.907 1.00 0.00 N ATOM 3006 CA VAL B 92 4.106 -16.363 -0.477 1.00 0.00 C ATOM 3007 C VAL B 92 3.432 -17.702 -0.190 1.00 0.00 C ATOM 3008 O VAL B 92 4.057 -18.758 -0.288 1.00 0.00 O ATOM 3009 CB VAL B 92 4.868 -15.902 0.781 1.00 0.00 C ATOM 3010 CG1 VAL B 92 5.641 -14.621 0.501 1.00 0.00 C ATOM 3011 CG2 VAL B 92 3.910 -15.714 1.951 1.00 0.00 C ATOM 0 H VAL B 92 3.187 -14.483 -0.390 1.00 0.00 H new ATOM 0 HA VAL B 92 4.812 -16.490 -1.298 1.00 0.00 H new ATOM 0 HB VAL B 92 5.585 -16.678 1.052 1.00 0.00 H new ATOM 0 HG11 VAL B 92 6.172 -14.312 1.401 1.00 0.00 H new ATOM 0 HG12 VAL B 92 6.358 -14.797 -0.301 1.00 0.00 H new ATOM 0 HG13 VAL B 92 4.947 -13.835 0.202 1.00 0.00 H new ATOM 0 HG21 VAL B 92 4.468 -15.389 2.829 1.00 0.00 H new ATOM 0 HG22 VAL B 92 3.165 -14.961 1.694 1.00 0.00 H new ATOM 0 HG23 VAL B 92 3.411 -16.658 2.168 1.00 0.00 H new