USER MOD reduce.3.24.130724 H: found=0, std=0, add=1058, rem=0, adj=42 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: A 12 SER OG : rot -39:sc= -1.08 USER MOD Set 1.2: B 12 SER OG : rot -46:sc= -1.08 USER MOD Single : A 4 THR OG1 : rot 167:sc= 1.14 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -131:sc= -1.33 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.287 USER MOD Single : A 32 LYS NZ :NH3+ -162:sc=-0.00712 (180deg=-0.146) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc=-0.00614 USER MOD Single : A 39 MET CE :methyl 171:sc= -5.52! (180deg=-6.02!) USER MOD Single : A 40 ASN : amide:sc= -0.886 X(o=-0.89,f=-0.59) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0313 USER MOD Single : A 47 THR OG1 : rot -63:sc= 1.12 USER MOD Single : A 59 MET CE :methyl 139:sc= -17.3! (180deg=-23.7!) USER MOD Single : A 60 MET CE :methyl 137:sc= -6.5! (180deg=-10.9!) USER MOD Single : A 70 GLN :FLIP amide:sc= -3.31! C(o=-5.7!,f=-3.3!) USER MOD Single : A 74 GLN :FLIP amide:sc= -3.58 F(o=-5.3,f=-3.6) USER MOD Single : A 78 ASN :FLIP amide:sc= -1.51 F(o=-2.6!,f=-1.5) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 HIS :FLIP no HD1:sc= -5.17! C(o=-8!,f=-5.2!) USER MOD Single : A 90 SER OG : rot 37:sc= 1.3 USER MOD Single : B 4 THR OG1 : rot -139:sc= 1.21 USER MOD Single : B 6 THR OG1 : rot 180:sc= 0.00446 USER MOD Single : B 9 CYS SG : rot -134:sc= -1.36 USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot 180:sc= 0.43 USER MOD Single : B 32 LYS NZ :NH3+ -162:sc= -0.0142 (180deg=-0.173) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 180:sc=-0.00495 USER MOD Single : B 39 MET CE :methyl 163:sc= -5.32! (180deg=-6.17!) USER MOD Single : B 40 ASN : amide:sc= -0.854 X(o=-0.85,f=-0.64) USER MOD Single : B 41 THR OG1 : rot 20:sc= 0.0749 USER MOD Single : B 47 THR OG1 : rot -59:sc= 1.1 USER MOD Single : B 59 MET CE :methyl 142:sc= -17! (180deg=-23.8!) USER MOD Single : B 60 MET CE :methyl 139:sc= -6.44! (180deg=-10.9!) USER MOD Single : B 70 GLN :FLIP amide:sc= -3.22! C(o=-5.8!,f=-3.2!) USER MOD Single : B 74 GLN :FLIP amide:sc= -3.69 F(o=-5.2,f=-3.7) USER MOD Single : B 78 ASN :FLIP amide:sc= -1.38 F(o=-2.6!,f=-1.4) USER MOD Single : B 87 CYS SG : rot 180:sc= 0 USER MOD Single : B 88 HIS :FLIP no HD1:sc= -5.1! C(o=-8!,f=-5.1!) USER MOD Single : B 90 SER OG : rot 61:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 51 N THR A 4 9.012 -4.631 14.646 1.00 0.00 N ATOM 52 CA THR A 4 9.353 -3.255 14.293 1.00 0.00 C ATOM 53 C THR A 4 8.105 -2.450 13.974 1.00 0.00 C ATOM 54 O THR A 4 7.096 -2.986 13.517 1.00 0.00 O ATOM 55 CB THR A 4 10.324 -3.224 13.107 1.00 0.00 C ATOM 56 OG1 THR A 4 10.378 -1.929 12.534 1.00 0.00 O ATOM 57 CG2 THR A 4 9.966 -4.200 12.006 1.00 0.00 C ATOM 0 HA THR A 4 9.842 -2.800 15.154 1.00 0.00 H new ATOM 0 HB THR A 4 11.289 -3.513 13.522 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.146 -1.871 11.929 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.696 -4.123 11.200 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.970 -5.215 12.404 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.974 -3.966 11.620 1.00 0.00 H new ATOM 65 N GLU A 5 8.191 -1.155 14.232 1.00 0.00 N ATOM 66 CA GLU A 5 7.088 -0.236 13.995 1.00 0.00 C ATOM 67 C GLU A 5 6.436 -0.485 12.637 1.00 0.00 C ATOM 68 O GLU A 5 5.215 -0.607 12.537 1.00 0.00 O ATOM 69 CB GLU A 5 7.613 1.190 14.084 1.00 0.00 C ATOM 70 CG GLU A 5 6.694 2.136 14.839 1.00 0.00 C ATOM 71 CD GLU A 5 5.818 2.959 13.916 1.00 0.00 C ATOM 72 OE1 GLU A 5 5.542 2.495 12.789 1.00 0.00 O ATOM 73 OE2 GLU A 5 5.408 4.069 14.318 1.00 0.00 O ATOM 0 H GLU A 5 9.027 -0.711 14.612 1.00 0.00 H new ATOM 0 HA GLU A 5 6.321 -0.397 14.753 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.588 1.179 14.572 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.766 1.575 13.076 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.062 1.560 15.515 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.294 2.805 15.456 1.00 0.00 H new ATOM 80 N THR A 6 7.257 -0.573 11.595 1.00 0.00 N ATOM 81 CA THR A 6 6.754 -0.824 10.252 1.00 0.00 C ATOM 82 C THR A 6 6.099 -2.198 10.176 1.00 0.00 C ATOM 83 O THR A 6 5.138 -2.395 9.436 1.00 0.00 O ATOM 84 CB THR A 6 7.886 -0.730 9.232 1.00 0.00 C ATOM 85 OG1 THR A 6 8.735 0.367 9.523 1.00 0.00 O ATOM 86 CG2 THR A 6 7.392 -0.567 7.813 1.00 0.00 C ATOM 0 H THR A 6 8.270 -0.474 11.656 1.00 0.00 H new ATOM 0 HA THR A 6 6.007 -0.065 10.020 1.00 0.00 H new ATOM 0 HB THR A 6 8.426 -1.674 9.307 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.455 0.409 8.859 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.244 -0.506 7.136 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.774 -1.423 7.542 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.801 0.346 7.736 1.00 0.00 H new ATOM 94 N GLU A 7 6.621 -3.142 10.960 1.00 0.00 N ATOM 95 CA GLU A 7 6.083 -4.502 10.986 1.00 0.00 C ATOM 96 C GLU A 7 4.581 -4.472 11.226 1.00 0.00 C ATOM 97 O GLU A 7 3.825 -5.222 10.605 1.00 0.00 O ATOM 98 CB GLU A 7 6.769 -5.327 12.078 1.00 0.00 C ATOM 99 CG GLU A 7 7.184 -6.716 11.620 1.00 0.00 C ATOM 100 CD GLU A 7 6.368 -7.815 12.272 1.00 0.00 C ATOM 101 OE1 GLU A 7 5.184 -7.570 12.584 1.00 0.00 O ATOM 102 OE2 GLU A 7 6.914 -8.921 12.472 1.00 0.00 O ATOM 0 H GLU A 7 7.414 -2.990 11.584 1.00 0.00 H new ATOM 0 HA GLU A 7 6.277 -4.967 10.019 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.651 -4.790 12.428 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.094 -5.420 12.929 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.078 -6.784 10.537 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.239 -6.869 11.847 1.00 0.00 H new ATOM 109 N ARG A 8 4.154 -3.591 12.119 1.00 0.00 N ATOM 110 CA ARG A 8 2.739 -3.449 12.431 1.00 0.00 C ATOM 111 C ARG A 8 2.016 -2.718 11.301 1.00 0.00 C ATOM 112 O ARG A 8 0.817 -2.904 11.100 1.00 0.00 O ATOM 113 CB ARG A 8 2.560 -2.693 13.750 1.00 0.00 C ATOM 114 CG ARG A 8 1.782 -3.473 14.795 1.00 0.00 C ATOM 115 CD ARG A 8 2.691 -4.392 15.594 1.00 0.00 C ATOM 116 NE ARG A 8 2.005 -5.612 16.012 1.00 0.00 N ATOM 117 CZ ARG A 8 2.431 -6.404 16.994 1.00 0.00 C ATOM 118 NH1 ARG A 8 3.541 -6.109 17.660 1.00 0.00 N ATOM 119 NH2 ARG A 8 1.747 -7.495 17.310 1.00 0.00 N ATOM 0 H ARG A 8 4.767 -2.964 12.640 1.00 0.00 H new ATOM 0 HA ARG A 8 2.305 -4.443 12.536 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.542 -2.442 14.152 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.046 -1.752 13.553 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.280 -2.779 15.470 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.005 -4.062 14.307 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.561 -4.654 14.992 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.059 -3.863 16.473 1.00 0.00 H new ATOM 0 HE ARG A 8 1.149 -5.873 15.523 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.072 -5.272 17.420 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.862 -6.719 18.411 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.894 -7.728 16.801 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.073 -8.102 18.062 1.00 0.00 H new ATOM 132 N CYS A 9 2.756 -1.886 10.571 1.00 0.00 N ATOM 133 CA CYS A 9 2.194 -1.119 9.463 1.00 0.00 C ATOM 134 C CYS A 9 1.794 -2.025 8.301 1.00 0.00 C ATOM 135 O CYS A 9 0.656 -1.982 7.835 1.00 0.00 O ATOM 136 CB CYS A 9 3.199 -0.071 8.981 1.00 0.00 C ATOM 137 SG CYS A 9 3.647 1.153 10.233 1.00 0.00 S ATOM 0 H CYS A 9 3.751 -1.726 10.729 1.00 0.00 H new ATOM 0 HA CYS A 9 1.296 -0.620 9.828 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.103 -0.578 8.644 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.782 0.445 8.116 1.00 0.00 H new ATOM 0 HG CYS A 9 3.559 2.346 9.725 1.00 0.00 H new ATOM 143 N ILE A 10 2.734 -2.840 7.832 1.00 0.00 N ATOM 144 CA ILE A 10 2.472 -3.746 6.721 1.00 0.00 C ATOM 145 C ILE A 10 1.207 -4.566 6.959 1.00 0.00 C ATOM 146 O ILE A 10 0.287 -4.555 6.145 1.00 0.00 O ATOM 147 CB ILE A 10 3.652 -4.716 6.494 1.00 0.00 C ATOM 148 CG1 ILE A 10 4.986 -3.968 6.530 1.00 0.00 C ATOM 149 CG2 ILE A 10 3.489 -5.448 5.170 1.00 0.00 C ATOM 150 CD1 ILE A 10 5.817 -4.281 7.748 1.00 0.00 C ATOM 0 H ILE A 10 3.682 -2.891 8.204 1.00 0.00 H new ATOM 0 HA ILE A 10 2.340 -3.123 5.837 1.00 0.00 H new ATOM 0 HB ILE A 10 3.651 -5.449 7.301 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.558 -4.217 5.636 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.793 -2.896 6.497 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.328 -6.128 5.024 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.559 -6.017 5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.463 -4.725 4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.748 -3.716 7.708 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.264 -4.006 8.646 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.040 -5.348 7.772 1.00 0.00 H new ATOM 162 N GLU A 11 1.176 -5.281 8.077 1.00 0.00 N ATOM 163 CA GLU A 11 0.034 -6.120 8.423 1.00 0.00 C ATOM 164 C GLU A 11 -1.276 -5.335 8.403 1.00 0.00 C ATOM 165 O GLU A 11 -2.343 -5.903 8.177 1.00 0.00 O ATOM 166 CB GLU A 11 0.242 -6.758 9.798 1.00 0.00 C ATOM 167 CG GLU A 11 0.461 -8.262 9.738 1.00 0.00 C ATOM 168 CD GLU A 11 -0.034 -8.973 10.983 1.00 0.00 C ATOM 169 OE1 GLU A 11 -0.035 -8.347 12.064 1.00 0.00 O ATOM 170 OE2 GLU A 11 -0.421 -10.156 10.877 1.00 0.00 O ATOM 0 H GLU A 11 1.931 -5.297 8.762 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.037 -6.903 7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.101 -6.292 10.281 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.627 -6.549 10.423 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.052 -8.666 8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.524 -8.466 9.606 1.00 0.00 H new ATOM 177 N SER A 12 -1.197 -4.033 8.655 1.00 0.00 N ATOM 178 CA SER A 12 -2.390 -3.195 8.676 1.00 0.00 C ATOM 179 C SER A 12 -3.095 -3.174 7.322 1.00 0.00 C ATOM 180 O SER A 12 -4.285 -3.468 7.235 1.00 0.00 O ATOM 181 CB SER A 12 -2.034 -1.766 9.092 1.00 0.00 C ATOM 182 OG SER A 12 -0.807 -1.727 9.796 1.00 0.00 O ATOM 0 H SER A 12 -0.326 -3.538 8.846 1.00 0.00 H new ATOM 0 HA SER A 12 -3.074 -3.628 9.406 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.969 -1.133 8.207 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.828 -1.358 9.718 1.00 0.00 H new ATOM 0 HG SER A 12 -0.746 -2.503 10.391 1.00 0.00 H new ATOM 188 N LEU A 13 -2.366 -2.804 6.272 1.00 0.00 N ATOM 189 CA LEU A 13 -2.938 -2.720 4.936 1.00 0.00 C ATOM 190 C LEU A 13 -3.268 -4.090 4.345 1.00 0.00 C ATOM 191 O LEU A 13 -4.357 -4.301 3.833 1.00 0.00 O ATOM 192 CB LEU A 13 -1.977 -1.975 4.021 1.00 0.00 C ATOM 193 CG LEU A 13 -2.251 -0.481 3.896 1.00 0.00 C ATOM 194 CD1 LEU A 13 -3.608 -0.241 3.264 1.00 0.00 C ATOM 195 CD2 LEU A 13 -2.192 0.201 5.247 1.00 0.00 C ATOM 0 H LEU A 13 -1.377 -2.558 6.323 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.880 -2.178 5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.961 -2.115 4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.020 -2.423 3.028 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.477 -0.055 3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.787 0.831 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.631 -0.689 2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.383 -0.692 3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.391 1.266 5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.941 -0.236 5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.201 0.064 5.681 1.00 0.00 H new ATOM 207 N ILE A 14 -2.330 -5.018 4.406 1.00 0.00 N ATOM 208 CA ILE A 14 -2.548 -6.350 3.861 1.00 0.00 C ATOM 209 C ILE A 14 -3.845 -6.954 4.336 1.00 0.00 C ATOM 210 O ILE A 14 -4.425 -7.802 3.676 1.00 0.00 O ATOM 211 CB ILE A 14 -1.473 -7.337 4.315 1.00 0.00 C ATOM 212 CG1 ILE A 14 -0.076 -6.756 4.227 1.00 0.00 C ATOM 213 CG2 ILE A 14 -1.570 -8.604 3.508 1.00 0.00 C ATOM 214 CD1 ILE A 14 0.830 -7.351 5.266 1.00 0.00 C ATOM 0 H ILE A 14 -1.411 -4.877 4.826 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.540 -6.206 2.781 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.655 -7.558 5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.335 -6.941 3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.121 -5.675 4.357 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.801 -9.304 3.836 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.553 -9.052 3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.426 -8.375 2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.824 -6.913 5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.431 -7.143 6.259 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.894 -8.429 5.119 1.00 0.00 H new ATOM 226 N ALA A 15 -4.247 -6.558 5.516 1.00 0.00 N ATOM 227 CA ALA A 15 -5.418 -7.117 6.139 1.00 0.00 C ATOM 228 C ALA A 15 -6.697 -6.416 5.724 1.00 0.00 C ATOM 229 O ALA A 15 -7.743 -7.054 5.606 1.00 0.00 O ATOM 230 CB ALA A 15 -5.196 -7.116 7.629 1.00 0.00 C ATOM 0 H ALA A 15 -3.775 -5.843 6.069 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.560 -8.143 5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.070 -7.535 8.127 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.319 -7.718 7.867 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.038 -6.094 7.973 1.00 0.00 H new ATOM 236 N VAL A 16 -6.616 -5.121 5.445 1.00 0.00 N ATOM 237 CA VAL A 16 -7.780 -4.398 4.980 1.00 0.00 C ATOM 238 C VAL A 16 -8.349 -5.143 3.776 1.00 0.00 C ATOM 239 O VAL A 16 -9.560 -5.194 3.560 1.00 0.00 O ATOM 240 CB VAL A 16 -7.411 -2.963 4.557 1.00 0.00 C ATOM 241 CG1 VAL A 16 -6.692 -2.226 5.663 1.00 0.00 C ATOM 242 CG2 VAL A 16 -6.541 -2.993 3.326 1.00 0.00 C ATOM 0 H VAL A 16 -5.768 -4.562 5.533 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.510 -4.336 5.787 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.339 -2.434 4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.447 -1.218 5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.335 -2.171 6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.774 -2.757 5.917 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.286 -1.974 3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.628 -3.549 3.539 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.079 -3.478 2.512 1.00 0.00 H new ATOM 252 N PHE A 17 -7.430 -5.739 3.012 1.00 0.00 N ATOM 253 CA PHE A 17 -7.778 -6.518 1.827 1.00 0.00 C ATOM 254 C PHE A 17 -8.223 -7.924 2.215 1.00 0.00 C ATOM 255 O PHE A 17 -9.318 -8.356 1.863 1.00 0.00 O ATOM 256 CB PHE A 17 -6.587 -6.611 0.867 1.00 0.00 C ATOM 257 CG PHE A 17 -5.650 -5.438 0.932 1.00 0.00 C ATOM 258 CD1 PHE A 17 -6.112 -4.153 0.709 1.00 0.00 C ATOM 259 CD2 PHE A 17 -4.307 -5.625 1.210 1.00 0.00 C ATOM 260 CE1 PHE A 17 -5.251 -3.073 0.761 1.00 0.00 C ATOM 261 CE2 PHE A 17 -3.441 -4.550 1.265 1.00 0.00 C ATOM 262 CZ PHE A 17 -3.914 -3.272 1.040 1.00 0.00 C ATOM 0 H PHE A 17 -6.428 -5.694 3.199 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.601 -6.007 1.327 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.028 -7.521 1.086 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.963 -6.706 -0.152 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.158 -3.992 0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.932 -6.622 1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.624 -2.075 0.584 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.395 -4.709 1.484 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.239 -2.430 1.082 1.00 0.00 H new ATOM 272 N GLN A 18 -7.357 -8.642 2.936 1.00 0.00 N ATOM 273 CA GLN A 18 -7.661 -10.013 3.354 1.00 0.00 C ATOM 274 C GLN A 18 -9.046 -10.111 3.977 1.00 0.00 C ATOM 275 O GLN A 18 -9.675 -11.168 3.942 1.00 0.00 O ATOM 276 CB GLN A 18 -6.627 -10.519 4.359 1.00 0.00 C ATOM 277 CG GLN A 18 -5.196 -10.296 3.925 1.00 0.00 C ATOM 278 CD GLN A 18 -4.684 -11.397 3.025 1.00 0.00 C ATOM 279 OE1 GLN A 18 -4.067 -12.359 3.482 1.00 0.00 O ATOM 280 NE2 GLN A 18 -4.941 -11.252 1.732 1.00 0.00 N ATOM 0 H GLN A 18 -6.446 -8.299 3.241 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.631 -10.632 2.458 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.789 -10.021 5.315 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.785 -11.585 4.524 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.123 -9.342 3.403 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.559 -10.227 4.807 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.457 -10.436 1.403 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.623 -11.957 1.067 1.00 0.00 H new ATOM 289 N LYS A 19 -9.530 -9.010 4.535 1.00 0.00 N ATOM 290 CA LYS A 19 -10.849 -9.004 5.140 1.00 0.00 C ATOM 291 C LYS A 19 -11.906 -9.281 4.076 1.00 0.00 C ATOM 292 O LYS A 19 -12.745 -10.168 4.231 1.00 0.00 O ATOM 293 CB LYS A 19 -11.116 -7.653 5.811 1.00 0.00 C ATOM 294 CG LYS A 19 -12.119 -7.721 6.951 1.00 0.00 C ATOM 295 CD LYS A 19 -11.719 -8.759 7.990 1.00 0.00 C ATOM 296 CE LYS A 19 -12.597 -9.997 7.907 1.00 0.00 C ATOM 297 NZ LYS A 19 -12.441 -10.869 9.103 1.00 0.00 N ATOM 0 H LYS A 19 -9.034 -8.120 4.580 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.896 -9.785 5.899 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.175 -7.254 6.191 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.480 -6.951 5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.198 -6.743 7.425 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -13.105 -7.964 6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.676 -9.040 7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.794 -8.325 8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.640 -9.696 7.810 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.344 -10.562 7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.056 -11.702 9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.451 -11.177 9.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.707 -10.338 9.957 1.00 0.00 H new ATOM 311 N TYR A 20 -11.836 -8.530 2.980 1.00 0.00 N ATOM 312 CA TYR A 20 -12.759 -8.702 1.865 1.00 0.00 C ATOM 313 C TYR A 20 -12.315 -9.874 1.005 1.00 0.00 C ATOM 314 O TYR A 20 -13.096 -10.760 0.658 1.00 0.00 O ATOM 315 CB TYR A 20 -12.826 -7.427 1.015 1.00 0.00 C ATOM 316 CG TYR A 20 -12.495 -6.155 1.770 1.00 0.00 C ATOM 317 CD1 TYR A 20 -12.908 -5.973 3.084 1.00 0.00 C ATOM 318 CD2 TYR A 20 -11.770 -5.136 1.165 1.00 0.00 C ATOM 319 CE1 TYR A 20 -12.607 -4.813 3.773 1.00 0.00 C ATOM 320 CE2 TYR A 20 -11.465 -3.974 1.848 1.00 0.00 C ATOM 321 CZ TYR A 20 -11.886 -3.817 3.151 1.00 0.00 C ATOM 322 OH TYR A 20 -11.585 -2.660 3.833 1.00 0.00 O ATOM 0 H TYR A 20 -11.145 -7.793 2.841 1.00 0.00 H new ATOM 0 HA TYR A 20 -13.753 -8.903 2.265 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -12.137 -7.527 0.176 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -13.828 -7.336 0.596 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.474 -6.751 3.575 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -11.439 -5.254 0.144 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -12.935 -4.688 4.794 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -10.899 -3.192 1.363 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.071 -2.062 3.251 1.00 0.00 H new ATOM 332 N ALA A 21 -11.039 -9.829 0.653 1.00 0.00 N ATOM 333 CA ALA A 21 -10.402 -10.829 -0.189 1.00 0.00 C ATOM 334 C ALA A 21 -10.430 -12.217 0.444 1.00 0.00 C ATOM 335 O ALA A 21 -10.863 -13.185 -0.182 1.00 0.00 O ATOM 336 CB ALA A 21 -8.975 -10.374 -0.467 1.00 0.00 C ATOM 0 H ALA A 21 -10.408 -9.085 0.949 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.955 -10.917 -1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.475 -11.109 -1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.993 -9.411 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.434 -10.276 0.474 1.00 0.00 H new ATOM 342 N GLY A 22 -9.969 -12.308 1.683 1.00 0.00 N ATOM 343 CA GLY A 22 -9.952 -13.582 2.377 1.00 0.00 C ATOM 344 C GLY A 22 -11.334 -14.016 2.825 1.00 0.00 C ATOM 345 O GLY A 22 -12.067 -14.651 2.068 1.00 0.00 O ATOM 0 H GLY A 22 -9.606 -11.522 2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.530 -14.344 1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.297 -13.511 3.246 1.00 0.00 H new ATOM 419 N VAL A 28 -5.808 -15.481 -2.884 1.00 0.00 N ATOM 420 CA VAL A 28 -4.826 -14.445 -3.183 1.00 0.00 C ATOM 421 C VAL A 28 -5.435 -13.335 -4.033 1.00 0.00 C ATOM 422 O VAL A 28 -4.731 -12.655 -4.780 1.00 0.00 O ATOM 423 CB VAL A 28 -3.605 -15.026 -3.922 1.00 0.00 C ATOM 424 CG1 VAL A 28 -2.839 -15.983 -3.022 1.00 0.00 C ATOM 425 CG2 VAL A 28 -4.039 -15.721 -5.204 1.00 0.00 C ATOM 0 HA VAL A 28 -4.504 -14.032 -2.227 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.940 -14.204 -4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.981 -16.382 -3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.494 -15.451 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.492 -16.802 -2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.164 -16.125 -5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.726 -16.532 -4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.538 -15.004 -5.855 1.00 0.00 H new ATOM 435 N THR A 29 -6.747 -13.155 -3.917 1.00 0.00 N ATOM 436 CA THR A 29 -7.447 -12.127 -4.677 1.00 0.00 C ATOM 437 C THR A 29 -8.654 -11.599 -3.907 1.00 0.00 C ATOM 438 O THR A 29 -8.907 -12.002 -2.772 1.00 0.00 O ATOM 439 CB THR A 29 -7.887 -12.677 -6.033 1.00 0.00 C ATOM 440 OG1 THR A 29 -8.437 -13.975 -5.894 1.00 0.00 O ATOM 441 CG2 THR A 29 -6.759 -12.759 -7.038 1.00 0.00 C ATOM 0 H THR A 29 -7.346 -13.708 -3.304 1.00 0.00 H new ATOM 0 HA THR A 29 -6.757 -11.298 -4.837 1.00 0.00 H new ATOM 0 HB THR A 29 -8.632 -11.972 -6.404 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.714 -14.309 -6.773 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.138 -13.157 -7.979 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.347 -11.764 -7.205 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.977 -13.415 -6.655 1.00 0.00 H new ATOM 449 N LEU A 30 -9.391 -10.691 -4.536 1.00 0.00 N ATOM 450 CA LEU A 30 -10.573 -10.089 -3.925 1.00 0.00 C ATOM 451 C LEU A 30 -11.677 -9.904 -4.979 1.00 0.00 C ATOM 452 O LEU A 30 -12.058 -10.862 -5.646 1.00 0.00 O ATOM 453 CB LEU A 30 -10.186 -8.752 -3.275 1.00 0.00 C ATOM 454 CG LEU A 30 -11.051 -8.294 -2.095 1.00 0.00 C ATOM 455 CD1 LEU A 30 -10.858 -6.811 -1.841 1.00 0.00 C ATOM 456 CD2 LEU A 30 -12.523 -8.613 -2.321 1.00 0.00 C ATOM 0 H LEU A 30 -9.189 -10.352 -5.477 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.964 -10.748 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.153 -8.824 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.216 -7.978 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.728 -8.846 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.479 -6.502 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.811 -6.615 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.145 -6.249 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.105 -8.274 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.872 -8.105 -3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.648 -9.689 -2.441 1.00 0.00 H new ATOM 468 N SER A 31 -12.183 -8.680 -5.136 1.00 0.00 N ATOM 469 CA SER A 31 -13.221 -8.402 -6.115 1.00 0.00 C ATOM 470 C SER A 31 -13.454 -6.899 -6.222 1.00 0.00 C ATOM 471 O SER A 31 -13.654 -6.221 -5.215 1.00 0.00 O ATOM 472 CB SER A 31 -14.518 -9.125 -5.738 1.00 0.00 C ATOM 473 OG SER A 31 -15.640 -8.259 -5.811 1.00 0.00 O ATOM 0 H SER A 31 -11.887 -7.868 -4.594 1.00 0.00 H new ATOM 0 HA SER A 31 -12.894 -8.771 -7.087 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.669 -9.974 -6.405 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.432 -9.525 -4.728 1.00 0.00 H new ATOM 0 HG SER A 31 -16.451 -8.752 -5.566 1.00 0.00 H new ATOM 479 N LYS A 32 -13.420 -6.384 -7.445 1.00 0.00 N ATOM 480 CA LYS A 32 -13.622 -4.959 -7.681 1.00 0.00 C ATOM 481 C LYS A 32 -14.873 -4.461 -6.962 1.00 0.00 C ATOM 482 O LYS A 32 -14.878 -3.376 -6.381 1.00 0.00 O ATOM 483 CB LYS A 32 -13.745 -4.689 -9.182 1.00 0.00 C ATOM 484 CG LYS A 32 -12.563 -5.199 -9.990 1.00 0.00 C ATOM 485 CD LYS A 32 -12.611 -4.697 -11.425 1.00 0.00 C ATOM 486 CE LYS A 32 -13.246 -5.720 -12.352 1.00 0.00 C ATOM 487 NZ LYS A 32 -12.359 -6.896 -12.573 1.00 0.00 N ATOM 0 H LYS A 32 -13.254 -6.932 -8.289 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.760 -4.422 -7.287 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.657 -5.156 -9.553 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -13.848 -3.616 -9.343 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.634 -4.876 -9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.560 -6.289 -9.985 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.176 -3.766 -11.467 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.601 -4.472 -11.767 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.193 -6.054 -11.929 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.472 -5.251 -13.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.671 -7.412 -13.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.380 -6.572 -12.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.406 -7.527 -11.747 1.00 0.00 H new ATOM 501 N THR A 33 -15.929 -5.265 -7.006 1.00 0.00 N ATOM 502 CA THR A 33 -17.184 -4.917 -6.364 1.00 0.00 C ATOM 503 C THR A 33 -17.090 -5.075 -4.846 1.00 0.00 C ATOM 504 O THR A 33 -17.593 -4.242 -4.097 1.00 0.00 O ATOM 505 CB THR A 33 -18.312 -5.784 -6.927 1.00 0.00 C ATOM 506 OG1 THR A 33 -18.875 -5.185 -8.081 1.00 0.00 O ATOM 507 CG2 THR A 33 -19.433 -6.023 -5.945 1.00 0.00 C ATOM 0 H THR A 33 -15.937 -6.166 -7.483 1.00 0.00 H new ATOM 0 HA THR A 33 -17.401 -3.870 -6.574 1.00 0.00 H new ATOM 0 HB THR A 33 -17.848 -6.742 -7.162 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.593 -5.754 -8.428 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.198 -6.645 -6.410 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.042 -6.529 -5.062 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.870 -5.068 -5.652 1.00 0.00 H new ATOM 515 N GLU A 34 -16.452 -6.147 -4.390 1.00 0.00 N ATOM 516 CA GLU A 34 -16.316 -6.384 -2.958 1.00 0.00 C ATOM 517 C GLU A 34 -15.658 -5.187 -2.283 1.00 0.00 C ATOM 518 O GLU A 34 -15.909 -4.902 -1.113 1.00 0.00 O ATOM 519 CB GLU A 34 -15.508 -7.653 -2.690 1.00 0.00 C ATOM 520 CG GLU A 34 -16.311 -8.739 -1.997 1.00 0.00 C ATOM 521 CD GLU A 34 -15.433 -9.807 -1.374 1.00 0.00 C ATOM 522 OE1 GLU A 34 -14.898 -10.648 -2.126 1.00 0.00 O ATOM 523 OE2 GLU A 34 -15.282 -9.802 -0.135 1.00 0.00 O ATOM 0 H GLU A 34 -16.025 -6.858 -4.983 1.00 0.00 H new ATOM 0 HA GLU A 34 -17.313 -6.519 -2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.127 -8.039 -3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.643 -7.402 -2.076 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.933 -8.288 -1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.985 -9.203 -2.717 1.00 0.00 H new ATOM 530 N PHE A 35 -14.827 -4.483 -3.040 1.00 0.00 N ATOM 531 CA PHE A 35 -14.144 -3.305 -2.528 1.00 0.00 C ATOM 532 C PHE A 35 -15.114 -2.129 -2.439 1.00 0.00 C ATOM 533 O PHE A 35 -14.937 -1.225 -1.624 1.00 0.00 O ATOM 534 CB PHE A 35 -12.953 -2.947 -3.423 1.00 0.00 C ATOM 535 CG PHE A 35 -11.723 -2.556 -2.655 1.00 0.00 C ATOM 536 CD1 PHE A 35 -11.125 -3.448 -1.780 1.00 0.00 C ATOM 537 CD2 PHE A 35 -11.164 -1.297 -2.808 1.00 0.00 C ATOM 538 CE1 PHE A 35 -9.993 -3.093 -1.072 1.00 0.00 C ATOM 539 CE2 PHE A 35 -10.031 -0.936 -2.102 1.00 0.00 C ATOM 540 CZ PHE A 35 -9.446 -1.836 -1.233 1.00 0.00 C ATOM 0 H PHE A 35 -14.610 -4.708 -4.011 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.771 -3.526 -1.528 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.718 -3.800 -4.060 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -13.237 -2.126 -4.081 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -11.549 -4.433 -1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -11.618 -0.590 -3.486 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -9.537 -3.798 -0.393 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.604 0.048 -2.230 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.561 -1.557 -0.680 1.00 0.00 H new ATOM 550 N LEU A 36 -16.140 -2.152 -3.288 1.00 0.00 N ATOM 551 CA LEU A 36 -17.141 -1.096 -3.314 1.00 0.00 C ATOM 552 C LEU A 36 -17.872 -0.987 -1.995 1.00 0.00 C ATOM 553 O LEU A 36 -17.890 0.064 -1.355 1.00 0.00 O ATOM 554 CB LEU A 36 -18.178 -1.397 -4.390 1.00 0.00 C ATOM 555 CG LEU A 36 -17.933 -0.710 -5.709 1.00 0.00 C ATOM 556 CD1 LEU A 36 -17.898 0.792 -5.501 1.00 0.00 C ATOM 557 CD2 LEU A 36 -16.642 -1.221 -6.322 1.00 0.00 C ATOM 0 H LEU A 36 -16.297 -2.895 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 36 -16.618 -0.161 -3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.207 -2.474 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.161 -1.105 -4.020 1.00 0.00 H new ATOM 0 HG LEU A 36 -18.743 -0.935 -6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.721 1.287 -6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -18.851 1.125 -5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -17.097 1.045 -4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -16.469 -0.722 -7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.812 -1.013 -5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -16.717 -2.296 -6.484 1.00 0.00 H new ATOM 569 N SER A 37 -18.503 -2.081 -1.623 1.00 0.00 N ATOM 570 CA SER A 37 -19.284 -2.125 -0.403 1.00 0.00 C ATOM 571 C SER A 37 -18.408 -1.938 0.832 1.00 0.00 C ATOM 572 O SER A 37 -18.699 -1.104 1.688 1.00 0.00 O ATOM 573 CB SER A 37 -20.052 -3.445 -0.306 1.00 0.00 C ATOM 574 OG SER A 37 -19.178 -4.554 -0.439 1.00 0.00 O ATOM 0 H SER A 37 -18.491 -2.955 -2.149 1.00 0.00 H new ATOM 0 HA SER A 37 -19.995 -1.300 -0.439 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.570 -3.499 0.652 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.815 -3.484 -1.084 1.00 0.00 H new ATOM 0 HG SER A 37 -19.692 -5.386 -0.372 1.00 0.00 H new ATOM 580 N PHE A 38 -17.340 -2.722 0.921 1.00 0.00 N ATOM 581 CA PHE A 38 -16.430 -2.641 2.057 1.00 0.00 C ATOM 582 C PHE A 38 -15.855 -1.235 2.197 1.00 0.00 C ATOM 583 O PHE A 38 -15.904 -0.641 3.274 1.00 0.00 O ATOM 584 CB PHE A 38 -15.305 -3.665 1.911 1.00 0.00 C ATOM 585 CG PHE A 38 -15.626 -4.989 2.544 1.00 0.00 C ATOM 586 CD1 PHE A 38 -15.881 -5.076 3.903 1.00 0.00 C ATOM 587 CD2 PHE A 38 -15.674 -6.144 1.780 1.00 0.00 C ATOM 588 CE1 PHE A 38 -16.177 -6.293 4.489 1.00 0.00 C ATOM 589 CE2 PHE A 38 -15.970 -7.362 2.361 1.00 0.00 C ATOM 590 CZ PHE A 38 -16.222 -7.437 3.717 1.00 0.00 C ATOM 0 H PHE A 38 -17.083 -3.419 0.222 1.00 0.00 H new ATOM 0 HA PHE A 38 -16.995 -2.867 2.961 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -15.095 -3.817 0.852 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.397 -3.265 2.361 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -15.848 -4.184 4.511 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -15.478 -6.092 0.719 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -16.373 -6.349 5.550 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -16.004 -8.255 1.755 1.00 0.00 H new ATOM 0 HZ PHE A 38 -16.454 -8.388 4.173 1.00 0.00 H new ATOM 600 N MET A 39 -15.319 -0.699 1.104 1.00 0.00 N ATOM 601 CA MET A 39 -14.752 0.644 1.118 1.00 0.00 C ATOM 602 C MET A 39 -15.805 1.666 1.537 1.00 0.00 C ATOM 603 O MET A 39 -15.481 2.714 2.089 1.00 0.00 O ATOM 604 CB MET A 39 -14.194 1.006 -0.259 1.00 0.00 C ATOM 605 CG MET A 39 -13.590 2.400 -0.321 1.00 0.00 C ATOM 606 SD MET A 39 -12.039 2.446 -1.237 1.00 0.00 S ATOM 607 CE MET A 39 -10.929 1.687 -0.054 1.00 0.00 C ATOM 0 H MET A 39 -15.266 -1.172 0.202 1.00 0.00 H new ATOM 0 HA MET A 39 -13.938 0.661 1.843 1.00 0.00 H new ATOM 0 HB2 MET A 39 -13.434 0.276 -0.537 1.00 0.00 H new ATOM 0 HB3 MET A 39 -14.993 0.931 -0.997 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.303 3.080 -0.787 1.00 0.00 H new ATOM 0 HG3 MET A 39 -13.420 2.763 0.693 1.00 0.00 H new ATOM 0 HE1 MET A 39 -9.966 1.496 -0.529 1.00 0.00 H new ATOM 0 HE2 MET A 39 -10.789 2.356 0.795 1.00 0.00 H new ATOM 0 HE3 MET A 39 -11.355 0.746 0.293 1.00 0.00 H new ATOM 617 N ASN A 40 -17.067 1.344 1.278 1.00 0.00 N ATOM 618 CA ASN A 40 -18.171 2.225 1.636 1.00 0.00 C ATOM 619 C ASN A 40 -18.406 2.209 3.144 1.00 0.00 C ATOM 620 O ASN A 40 -19.040 3.110 3.693 1.00 0.00 O ATOM 621 CB ASN A 40 -19.446 1.807 0.902 1.00 0.00 C ATOM 622 CG ASN A 40 -19.621 2.539 -0.415 1.00 0.00 C ATOM 623 OD1 ASN A 40 -19.583 3.767 -0.465 1.00 0.00 O ATOM 624 ND2 ASN A 40 -19.817 1.783 -1.489 1.00 0.00 N ATOM 0 H ASN A 40 -17.351 0.478 0.821 1.00 0.00 H new ATOM 0 HA ASN A 40 -17.908 3.240 1.336 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -19.420 0.733 0.717 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -20.309 2.000 1.539 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -19.944 2.218 -2.403 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -19.841 0.767 -1.400 1.00 0.00 H new ATOM 631 N THR A 41 -17.905 1.168 3.806 1.00 0.00 N ATOM 632 CA THR A 41 -18.071 1.024 5.247 1.00 0.00 C ATOM 633 C THR A 41 -16.737 1.158 5.981 1.00 0.00 C ATOM 634 O THR A 41 -16.427 2.207 6.545 1.00 0.00 O ATOM 635 CB THR A 41 -18.697 -0.335 5.562 1.00 0.00 C ATOM 636 OG1 THR A 41 -18.282 -1.307 4.618 1.00 0.00 O ATOM 637 CG2 THR A 41 -20.205 -0.314 5.562 1.00 0.00 C ATOM 0 H THR A 41 -17.381 0.412 3.365 1.00 0.00 H new ATOM 0 HA THR A 41 -18.728 1.823 5.591 1.00 0.00 H new ATOM 0 HB THR A 41 -18.354 -0.585 6.566 1.00 0.00 H new ATOM 0 HG1 THR A 41 -18.691 -2.170 4.836 1.00 0.00 H new ATOM 0 HG21 THR A 41 -20.583 -1.310 5.793 1.00 0.00 H new ATOM 0 HG22 THR A 41 -20.559 0.391 6.314 1.00 0.00 H new ATOM 0 HG23 THR A 41 -20.565 -0.008 4.580 1.00 0.00 H new ATOM 645 N GLU A 42 -15.964 0.077 5.981 1.00 0.00 N ATOM 646 CA GLU A 42 -14.668 0.045 6.658 1.00 0.00 C ATOM 647 C GLU A 42 -13.775 1.217 6.253 1.00 0.00 C ATOM 648 O GLU A 42 -13.168 1.868 7.103 1.00 0.00 O ATOM 649 CB GLU A 42 -13.953 -1.275 6.359 1.00 0.00 C ATOM 650 CG GLU A 42 -14.782 -2.504 6.696 1.00 0.00 C ATOM 651 CD GLU A 42 -14.265 -3.240 7.917 1.00 0.00 C ATOM 652 OE1 GLU A 42 -14.260 -2.640 9.013 1.00 0.00 O ATOM 653 OE2 GLU A 42 -13.866 -4.415 7.777 1.00 0.00 O ATOM 0 H GLU A 42 -16.213 -0.796 5.516 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.860 0.130 7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.688 -1.304 5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.021 -1.310 6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.816 -2.204 6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.784 -3.181 5.842 1.00 0.00 H new ATOM 660 N LEU A 43 -13.696 1.480 4.954 1.00 0.00 N ATOM 661 CA LEU A 43 -12.875 2.569 4.441 1.00 0.00 C ATOM 662 C LEU A 43 -13.755 3.674 3.879 1.00 0.00 C ATOM 663 O LEU A 43 -13.440 4.285 2.858 1.00 0.00 O ATOM 664 CB LEU A 43 -11.916 2.049 3.366 1.00 0.00 C ATOM 665 CG LEU A 43 -10.488 1.807 3.849 1.00 0.00 C ATOM 666 CD1 LEU A 43 -9.593 1.378 2.696 1.00 0.00 C ATOM 667 CD2 LEU A 43 -9.943 3.059 4.515 1.00 0.00 C ATOM 0 H LEU A 43 -14.192 0.952 4.236 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.286 2.980 5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.313 1.116 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.891 2.764 2.544 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.502 1.000 4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.581 1.211 3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.977 0.456 2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.579 2.159 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.924 2.876 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.944 3.881 3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.570 3.319 5.368 1.00 0.00 H new ATOM 679 N ALA A 44 -14.865 3.920 4.561 1.00 0.00 N ATOM 680 CA ALA A 44 -15.807 4.944 4.147 1.00 0.00 C ATOM 681 C ALA A 44 -15.282 6.331 4.490 1.00 0.00 C ATOM 682 O ALA A 44 -15.571 7.305 3.797 1.00 0.00 O ATOM 683 CB ALA A 44 -17.152 4.696 4.806 1.00 0.00 C ATOM 0 H ALA A 44 -15.134 3.420 5.408 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.931 4.895 3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.858 5.466 4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.528 3.717 4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.037 4.727 5.890 1.00 0.00 H new ATOM 689 N ALA A 45 -14.501 6.409 5.562 1.00 0.00 N ATOM 690 CA ALA A 45 -13.924 7.672 5.999 1.00 0.00 C ATOM 691 C ALA A 45 -13.170 8.353 4.858 1.00 0.00 C ATOM 692 O ALA A 45 -13.011 9.573 4.848 1.00 0.00 O ATOM 693 CB ALA A 45 -13.002 7.438 7.185 1.00 0.00 C ATOM 0 H ALA A 45 -14.253 5.609 6.145 1.00 0.00 H new ATOM 0 HA ALA A 45 -14.733 8.334 6.306 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.574 8.388 7.506 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.569 6.999 8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.201 6.759 6.894 1.00 0.00 H new ATOM 699 N PHE A 46 -12.710 7.554 3.900 1.00 0.00 N ATOM 700 CA PHE A 46 -11.975 8.075 2.754 1.00 0.00 C ATOM 701 C PHE A 46 -12.809 7.976 1.477 1.00 0.00 C ATOM 702 O PHE A 46 -12.266 7.944 0.373 1.00 0.00 O ATOM 703 CB PHE A 46 -10.663 7.310 2.576 1.00 0.00 C ATOM 704 CG PHE A 46 -9.518 7.893 3.355 1.00 0.00 C ATOM 705 CD1 PHE A 46 -9.652 8.170 4.706 1.00 0.00 C ATOM 706 CD2 PHE A 46 -8.308 8.163 2.736 1.00 0.00 C ATOM 707 CE1 PHE A 46 -8.600 8.707 5.424 1.00 0.00 C ATOM 708 CE2 PHE A 46 -7.254 8.699 3.449 1.00 0.00 C ATOM 709 CZ PHE A 46 -7.400 8.972 4.796 1.00 0.00 C ATOM 0 H PHE A 46 -12.834 6.542 3.895 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.756 9.126 2.943 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.811 6.275 2.883 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.402 7.294 1.518 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -10.588 7.964 5.203 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.188 7.952 1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.717 8.919 6.476 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.316 8.905 2.954 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.577 9.392 5.356 1.00 0.00 H new ATOM 719 N THR A 47 -14.130 7.928 1.635 1.00 0.00 N ATOM 720 CA THR A 47 -15.034 7.832 0.493 1.00 0.00 C ATOM 721 C THR A 47 -16.490 7.800 0.950 1.00 0.00 C ATOM 722 O THR A 47 -17.308 7.059 0.403 1.00 0.00 O ATOM 723 CB THR A 47 -14.719 6.582 -0.331 1.00 0.00 C ATOM 724 OG1 THR A 47 -15.670 6.411 -1.367 1.00 0.00 O ATOM 725 CG2 THR A 47 -14.702 5.311 0.490 1.00 0.00 C ATOM 0 H THR A 47 -14.597 7.954 2.542 1.00 0.00 H new ATOM 0 HA THR A 47 -14.887 8.715 -0.128 1.00 0.00 H new ATOM 0 HB THR A 47 -13.720 6.748 -0.735 1.00 0.00 H new ATOM 0 HG1 THR A 47 -16.557 6.266 -0.976 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.473 4.464 -0.156 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.943 5.390 1.268 1.00 0.00 H new ATOM 0 HG23 THR A 47 -15.679 5.162 0.950 1.00 0.00 H new ATOM 841 N VAL A 55 -12.199 9.957 -5.508 1.00 0.00 N ATOM 842 CA VAL A 55 -11.037 9.299 -4.922 1.00 0.00 C ATOM 843 C VAL A 55 -11.151 7.779 -5.026 1.00 0.00 C ATOM 844 O VAL A 55 -10.244 7.113 -5.529 1.00 0.00 O ATOM 845 CB VAL A 55 -10.860 9.695 -3.442 1.00 0.00 C ATOM 846 CG1 VAL A 55 -9.694 8.944 -2.815 1.00 0.00 C ATOM 847 CG2 VAL A 55 -10.667 11.199 -3.313 1.00 0.00 C ATOM 0 HA VAL A 55 -10.165 9.630 -5.486 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.766 9.418 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.589 9.240 -1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.880 7.871 -2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.776 9.182 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.544 11.461 -2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.779 11.501 -3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.540 11.714 -3.715 1.00 0.00 H new ATOM 857 N LEU A 56 -12.264 7.236 -4.546 1.00 0.00 N ATOM 858 CA LEU A 56 -12.491 5.802 -4.581 1.00 0.00 C ATOM 859 C LEU A 56 -12.655 5.318 -6.018 1.00 0.00 C ATOM 860 O LEU A 56 -11.981 4.388 -6.457 1.00 0.00 O ATOM 861 CB LEU A 56 -13.746 5.474 -3.769 1.00 0.00 C ATOM 862 CG LEU A 56 -14.523 4.250 -4.244 1.00 0.00 C ATOM 863 CD1 LEU A 56 -15.172 3.541 -3.070 1.00 0.00 C ATOM 864 CD2 LEU A 56 -15.567 4.642 -5.281 1.00 0.00 C ATOM 0 H LEU A 56 -13.024 7.772 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.630 5.293 -4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -13.457 5.321 -2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -14.410 6.338 -3.791 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.821 3.561 -4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -15.721 2.671 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -14.402 3.220 -2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.859 4.222 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -16.109 3.754 -5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.266 5.354 -4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.074 5.100 -6.139 1.00 0.00 H new ATOM 876 N ASP A 57 -13.555 5.964 -6.743 1.00 0.00 N ATOM 877 CA ASP A 57 -13.816 5.613 -8.132 1.00 0.00 C ATOM 878 C ASP A 57 -12.548 5.745 -8.968 1.00 0.00 C ATOM 879 O ASP A 57 -12.388 5.068 -9.984 1.00 0.00 O ATOM 880 CB ASP A 57 -14.916 6.509 -8.703 1.00 0.00 C ATOM 881 CG ASP A 57 -15.785 5.786 -9.713 1.00 0.00 C ATOM 882 OD1 ASP A 57 -16.067 4.588 -9.504 1.00 0.00 O ATOM 883 OD2 ASP A 57 -16.183 6.418 -10.714 1.00 0.00 O ATOM 0 H ASP A 57 -14.120 6.737 -6.391 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.147 4.575 -8.168 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.540 6.877 -7.889 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.462 7.380 -9.176 1.00 0.00 H new ATOM 888 N ARG A 58 -11.647 6.618 -8.529 1.00 0.00 N ATOM 889 CA ARG A 58 -10.392 6.841 -9.231 1.00 0.00 C ATOM 890 C ARG A 58 -9.523 5.589 -9.210 1.00 0.00 C ATOM 891 O ARG A 58 -8.920 5.226 -10.219 1.00 0.00 O ATOM 892 CB ARG A 58 -9.631 8.011 -8.601 1.00 0.00 C ATOM 893 CG ARG A 58 -9.863 9.337 -9.306 1.00 0.00 C ATOM 894 CD ARG A 58 -9.229 9.351 -10.687 1.00 0.00 C ATOM 895 NE ARG A 58 -9.719 10.457 -11.506 1.00 0.00 N ATOM 896 CZ ARG A 58 -9.277 11.708 -11.403 1.00 0.00 C ATOM 897 NH1 ARG A 58 -8.338 12.018 -10.517 1.00 0.00 N ATOM 898 NH2 ARG A 58 -9.776 12.653 -12.190 1.00 0.00 N ATOM 0 H ARG A 58 -11.765 7.183 -7.688 1.00 0.00 H new ATOM 0 HA ARG A 58 -10.626 7.082 -10.268 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -9.929 8.107 -7.557 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.564 7.786 -8.609 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -10.934 9.521 -9.394 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.449 10.147 -8.706 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -8.146 9.426 -10.587 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.438 8.407 -11.191 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.442 10.259 -12.197 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.951 11.295 -9.910 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.004 12.979 -10.443 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.497 12.420 -12.873 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.438 13.612 -12.112 1.00 0.00 H new ATOM 911 N MET A 59 -9.451 4.936 -8.054 1.00 0.00 N ATOM 912 CA MET A 59 -8.642 3.734 -7.912 1.00 0.00 C ATOM 913 C MET A 59 -9.113 2.629 -8.850 1.00 0.00 C ATOM 914 O MET A 59 -8.321 2.051 -9.593 1.00 0.00 O ATOM 915 CB MET A 59 -8.675 3.251 -6.448 1.00 0.00 C ATOM 916 CG MET A 59 -9.438 1.945 -6.203 1.00 0.00 C ATOM 917 SD MET A 59 -10.837 2.147 -5.092 1.00 0.00 S ATOM 918 CE MET A 59 -9.973 2.688 -3.631 1.00 0.00 C ATOM 0 H MET A 59 -9.942 5.219 -7.206 1.00 0.00 H new ATOM 0 HA MET A 59 -7.616 3.980 -8.186 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.649 3.123 -6.102 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.122 4.034 -5.835 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.792 1.553 -7.157 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.755 1.204 -5.787 1.00 0.00 H new ATOM 0 HE1 MET A 59 -10.536 3.489 -3.151 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.869 1.852 -2.939 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.985 3.055 -3.908 1.00 0.00 H new ATOM 928 N MET A 60 -10.401 2.316 -8.779 1.00 0.00 N ATOM 929 CA MET A 60 -10.972 1.253 -9.583 1.00 0.00 C ATOM 930 C MET A 60 -11.106 1.653 -11.048 1.00 0.00 C ATOM 931 O MET A 60 -10.983 0.810 -11.936 1.00 0.00 O ATOM 932 CB MET A 60 -12.315 0.828 -8.995 1.00 0.00 C ATOM 933 CG MET A 60 -12.171 0.008 -7.715 1.00 0.00 C ATOM 934 SD MET A 60 -12.687 -1.703 -7.932 1.00 0.00 S ATOM 935 CE MET A 60 -11.846 -2.105 -9.460 1.00 0.00 C ATOM 0 H MET A 60 -11.069 2.788 -8.169 1.00 0.00 H new ATOM 0 HA MET A 60 -10.291 0.402 -9.558 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.912 1.716 -8.786 1.00 0.00 H new ATOM 0 HB3 MET A 60 -12.861 0.244 -9.735 1.00 0.00 H new ATOM 0 HG2 MET A 60 -11.132 0.032 -7.387 1.00 0.00 H new ATOM 0 HG3 MET A 60 -12.766 0.466 -6.925 1.00 0.00 H new ATOM 0 HE1 MET A 60 -11.400 -3.097 -9.380 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.561 -2.094 -10.283 1.00 0.00 H new ATOM 0 HE3 MET A 60 -11.064 -1.370 -9.649 1.00 0.00 H new ATOM 1083 N GLN A 70 -9.860 -11.947 -11.114 1.00 0.00 N ATOM 1084 CA GLN A 70 -10.255 -11.346 -9.848 1.00 0.00 C ATOM 1085 C GLN A 70 -9.368 -10.150 -9.509 1.00 0.00 C ATOM 1086 O GLN A 70 -8.584 -9.696 -10.342 1.00 0.00 O ATOM 1087 CB GLN A 70 -10.184 -12.390 -8.730 1.00 0.00 C ATOM 1088 CG GLN A 70 -11.460 -13.199 -8.573 1.00 0.00 C ATOM 1089 CD GLN A 70 -12.507 -12.472 -7.755 1.00 0.00 C ATOM 1090 OE1 GLN A 70 -12.964 -11.331 -8.260 1.00 0.00 O flip ATOM 1091 NE2 GLN A 70 -12.905 -12.931 -6.685 1.00 0.00 N flip ATOM 0 HA GLN A 70 -11.281 -10.990 -9.942 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.355 -13.069 -8.930 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.964 -11.887 -7.788 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.866 -13.427 -9.558 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.227 -14.151 -8.096 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.526 -13.811 -6.335 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.614 -12.432 -6.148 1.00 0.00 H new ATOM 1100 N LEU A 71 -9.498 -9.643 -8.282 1.00 0.00 N ATOM 1101 CA LEU A 71 -8.707 -8.504 -7.836 1.00 0.00 C ATOM 1102 C LEU A 71 -7.208 -8.864 -7.875 1.00 0.00 C ATOM 1103 O LEU A 71 -6.736 -9.364 -8.893 1.00 0.00 O ATOM 1104 CB LEU A 71 -9.181 -8.067 -6.435 1.00 0.00 C ATOM 1105 CG LEU A 71 -9.968 -6.747 -6.351 1.00 0.00 C ATOM 1106 CD1 LEU A 71 -9.083 -5.625 -5.825 1.00 0.00 C ATOM 1107 CD2 LEU A 71 -10.577 -6.366 -7.696 1.00 0.00 C ATOM 0 H LEU A 71 -10.145 -10.006 -7.582 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.848 -7.655 -8.505 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.804 -8.861 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.306 -7.983 -5.791 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.789 -6.900 -5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.659 -4.701 -5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.721 -5.883 -4.830 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.234 -5.487 -6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.124 -5.429 -7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.784 -6.245 -8.434 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.259 -7.151 -8.022 1.00 0.00 H new ATOM 1119 N ASP A 72 -6.455 -8.630 -6.788 1.00 0.00 N ATOM 1120 CA ASP A 72 -5.023 -8.960 -6.766 1.00 0.00 C ATOM 1121 C ASP A 72 -4.325 -8.314 -5.571 1.00 0.00 C ATOM 1122 O ASP A 72 -4.822 -7.353 -4.988 1.00 0.00 O ATOM 1123 CB ASP A 72 -4.333 -8.528 -8.070 1.00 0.00 C ATOM 1124 CG ASP A 72 -2.826 -8.699 -8.023 1.00 0.00 C ATOM 1125 OD1 ASP A 72 -2.133 -7.748 -7.605 1.00 0.00 O ATOM 1126 OD2 ASP A 72 -2.340 -9.785 -8.404 1.00 0.00 O ATOM 0 H ASP A 72 -6.809 -8.219 -5.924 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.943 -10.043 -6.672 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.735 -9.111 -8.899 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.569 -7.483 -8.272 1.00 0.00 H new ATOM 1131 N PHE A 73 -3.169 -8.867 -5.215 1.00 0.00 N ATOM 1132 CA PHE A 73 -2.387 -8.380 -4.084 1.00 0.00 C ATOM 1133 C PHE A 73 -2.160 -6.866 -4.121 1.00 0.00 C ATOM 1134 O PHE A 73 -2.535 -6.162 -3.181 1.00 0.00 O ATOM 1135 CB PHE A 73 -1.047 -9.116 -4.012 1.00 0.00 C ATOM 1136 CG PHE A 73 -0.086 -8.747 -5.104 1.00 0.00 C ATOM 1137 CD1 PHE A 73 -0.226 -9.273 -6.378 1.00 0.00 C ATOM 1138 CD2 PHE A 73 0.957 -7.871 -4.854 1.00 0.00 C ATOM 1139 CE1 PHE A 73 0.658 -8.932 -7.384 1.00 0.00 C ATOM 1140 CE2 PHE A 73 1.844 -7.526 -5.856 1.00 0.00 C ATOM 1141 CZ PHE A 73 1.694 -8.057 -7.123 1.00 0.00 C ATOM 0 H PHE A 73 -2.750 -9.661 -5.700 1.00 0.00 H new ATOM 0 HA PHE A 73 -2.969 -8.588 -3.186 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.582 -8.909 -3.048 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.232 -10.189 -4.053 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.035 -9.957 -6.587 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.079 -7.453 -3.866 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.539 -9.349 -8.373 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.654 -6.842 -5.649 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.386 -7.788 -7.908 1.00 0.00 H new ATOM 1151 N GLN A 74 -1.539 -6.356 -5.185 1.00 0.00 N ATOM 1152 CA GLN A 74 -1.278 -4.924 -5.272 1.00 0.00 C ATOM 1153 C GLN A 74 -2.532 -4.158 -5.641 1.00 0.00 C ATOM 1154 O GLN A 74 -2.680 -3.004 -5.254 1.00 0.00 O ATOM 1155 CB GLN A 74 -0.166 -4.598 -6.270 1.00 0.00 C ATOM 1156 CG GLN A 74 0.147 -3.104 -6.359 1.00 0.00 C ATOM 1157 CD GLN A 74 0.218 -2.429 -4.993 1.00 0.00 C ATOM 1158 OE1 GLN A 74 -0.362 -1.231 -4.877 1.00 0.00 O flip ATOM 1159 NE2 GLN A 74 0.789 -2.979 -4.052 1.00 0.00 N flip ATOM 0 H GLN A 74 -1.214 -6.902 -5.983 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.947 -4.612 -4.281 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.738 -5.135 -5.984 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.454 -4.961 -7.256 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.097 -2.967 -6.876 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.617 -2.613 -6.962 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.220 -3.895 -4.182 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.832 -2.519 -3.142 1.00 0.00 H new ATOM 1168 N GLU A 75 -3.440 -4.790 -6.383 1.00 0.00 N ATOM 1169 CA GLU A 75 -4.676 -4.118 -6.768 1.00 0.00 C ATOM 1170 C GLU A 75 -5.257 -3.397 -5.568 1.00 0.00 C ATOM 1171 O GLU A 75 -5.587 -2.222 -5.643 1.00 0.00 O ATOM 1172 CB GLU A 75 -5.702 -5.103 -7.329 1.00 0.00 C ATOM 1173 CG GLU A 75 -6.020 -4.866 -8.795 1.00 0.00 C ATOM 1174 CD GLU A 75 -6.126 -6.152 -9.593 1.00 0.00 C ATOM 1175 OE1 GLU A 75 -7.225 -6.744 -9.622 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -5.111 -6.562 -10.193 1.00 0.00 O ATOM 0 H GLU A 75 -3.346 -5.747 -6.723 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.440 -3.400 -7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.326 -6.119 -7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.621 -5.030 -6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.959 -4.317 -8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.245 -4.236 -9.232 1.00 0.00 H new ATOM 1183 N PHE A 76 -5.359 -4.099 -4.450 1.00 0.00 N ATOM 1184 CA PHE A 76 -5.889 -3.485 -3.248 1.00 0.00 C ATOM 1185 C PHE A 76 -4.968 -2.372 -2.763 1.00 0.00 C ATOM 1186 O PHE A 76 -5.400 -1.233 -2.584 1.00 0.00 O ATOM 1187 CB PHE A 76 -6.071 -4.494 -2.111 1.00 0.00 C ATOM 1188 CG PHE A 76 -6.107 -5.946 -2.498 1.00 0.00 C ATOM 1189 CD1 PHE A 76 -7.117 -6.445 -3.296 1.00 0.00 C ATOM 1190 CD2 PHE A 76 -5.141 -6.817 -2.020 1.00 0.00 C ATOM 1191 CE1 PHE A 76 -7.163 -7.788 -3.616 1.00 0.00 C ATOM 1192 CE2 PHE A 76 -5.179 -8.160 -2.341 1.00 0.00 C ATOM 1193 CZ PHE A 76 -6.193 -8.647 -3.138 1.00 0.00 C ATOM 0 H PHE A 76 -5.087 -5.077 -4.352 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.866 -3.081 -3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.260 -4.352 -1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -6.999 -4.257 -1.591 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.879 -5.779 -3.674 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.349 -6.441 -1.389 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.958 -8.167 -4.241 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.416 -8.827 -1.968 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.229 -9.697 -3.388 1.00 0.00 H new ATOM 1203 N LEU A 77 -3.695 -2.704 -2.554 1.00 0.00 N ATOM 1204 CA LEU A 77 -2.722 -1.722 -2.093 1.00 0.00 C ATOM 1205 C LEU A 77 -2.725 -0.513 -3.016 1.00 0.00 C ATOM 1206 O LEU A 77 -2.555 0.623 -2.578 1.00 0.00 O ATOM 1207 CB LEU A 77 -1.332 -2.348 -2.010 1.00 0.00 C ATOM 1208 CG LEU A 77 -0.980 -2.905 -0.632 1.00 0.00 C ATOM 1209 CD1 LEU A 77 0.145 -3.921 -0.723 1.00 0.00 C ATOM 1210 CD2 LEU A 77 -0.617 -1.770 0.308 1.00 0.00 C ATOM 0 H LEU A 77 -3.317 -3.641 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.999 -1.389 -1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.263 -3.151 -2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.591 -1.599 -2.287 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.853 -3.421 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.374 -4.300 0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.162 -4.747 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.031 -3.446 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.367 -2.175 1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.241 -1.228 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.464 -1.090 0.401 1.00 0.00 H new ATOM 1222 N ASN A 78 -2.962 -0.773 -4.294 1.00 0.00 N ATOM 1223 CA ASN A 78 -3.041 0.282 -5.290 1.00 0.00 C ATOM 1224 C ASN A 78 -4.383 0.989 -5.149 1.00 0.00 C ATOM 1225 O ASN A 78 -4.498 2.187 -5.407 1.00 0.00 O ATOM 1226 CB ASN A 78 -2.878 -0.299 -6.707 1.00 0.00 C ATOM 1227 CG ASN A 78 -3.807 0.333 -7.729 1.00 0.00 C ATOM 1228 OD1 ASN A 78 -4.689 -0.475 -8.304 1.00 0.00 O flip ATOM 1229 ND2 ASN A 78 -3.730 1.532 -7.998 1.00 0.00 N flip ATOM 0 H ASN A 78 -3.103 -1.712 -4.666 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.234 0.998 -5.131 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.846 -0.162 -7.031 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.062 -1.373 -6.675 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.036 2.116 -7.531 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.360 1.941 -8.688 1.00 0.00 H new ATOM 1236 N LEU A 79 -5.396 0.231 -4.733 1.00 0.00 N ATOM 1237 CA LEU A 79 -6.726 0.783 -4.555 1.00 0.00 C ATOM 1238 C LEU A 79 -6.743 1.717 -3.351 1.00 0.00 C ATOM 1239 O LEU A 79 -7.043 2.897 -3.486 1.00 0.00 O ATOM 1240 CB LEU A 79 -7.768 -0.334 -4.404 1.00 0.00 C ATOM 1241 CG LEU A 79 -8.058 -1.149 -5.683 1.00 0.00 C ATOM 1242 CD1 LEU A 79 -9.523 -1.115 -6.058 1.00 0.00 C ATOM 1243 CD2 LEU A 79 -7.217 -0.678 -6.855 1.00 0.00 C ATOM 0 H LEU A 79 -5.316 -0.762 -4.515 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.989 1.357 -5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.431 -1.019 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.702 0.108 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.787 -2.179 -5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.681 -1.701 -6.963 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.116 -1.535 -5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.829 -0.084 -6.236 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.451 -1.277 -7.735 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.435 0.370 -7.061 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.160 -0.788 -6.612 1.00 0.00 H new ATOM 1255 N ILE A 80 -6.378 1.194 -2.179 1.00 0.00 N ATOM 1256 CA ILE A 80 -6.328 2.013 -0.974 1.00 0.00 C ATOM 1257 C ILE A 80 -5.131 2.952 -1.019 1.00 0.00 C ATOM 1258 O ILE A 80 -5.243 4.130 -0.681 1.00 0.00 O ATOM 1259 CB ILE A 80 -6.288 1.180 0.325 1.00 0.00 C ATOM 1260 CG1 ILE A 80 -6.634 2.067 1.522 1.00 0.00 C ATOM 1261 CG2 ILE A 80 -4.929 0.547 0.530 1.00 0.00 C ATOM 1262 CD1 ILE A 80 -5.475 2.923 1.998 1.00 0.00 C ATOM 0 H ILE A 80 -6.116 0.218 -2.042 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.253 2.589 -0.957 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.024 0.381 0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.468 2.716 1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.972 1.437 2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.933 -0.033 1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.703 -0.110 -0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.170 1.327 0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.793 3.526 2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.647 2.280 2.298 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.151 3.579 1.190 1.00 0.00 H new ATOM 1274 N GLY A 81 -3.984 2.430 -1.455 1.00 0.00 N ATOM 1275 CA GLY A 81 -2.796 3.257 -1.552 1.00 0.00 C ATOM 1276 C GLY A 81 -3.078 4.506 -2.352 1.00 0.00 C ATOM 1277 O GLY A 81 -2.808 5.619 -1.901 1.00 0.00 O ATOM 0 H GLY A 81 -3.859 1.458 -1.740 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.454 3.529 -0.553 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.991 2.692 -2.022 1.00 0.00 H new ATOM 1281 N GLY A 82 -3.660 4.321 -3.535 1.00 0.00 N ATOM 1282 CA GLY A 82 -4.011 5.458 -4.368 1.00 0.00 C ATOM 1283 C GLY A 82 -4.844 6.478 -3.608 1.00 0.00 C ATOM 1284 O GLY A 82 -4.686 7.684 -3.798 1.00 0.00 O ATOM 0 H GLY A 82 -3.893 3.410 -3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.102 5.933 -4.737 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.566 5.112 -5.240 1.00 0.00 H new ATOM 1288 N LEU A 83 -5.728 5.996 -2.732 1.00 0.00 N ATOM 1289 CA LEU A 83 -6.566 6.886 -1.933 1.00 0.00 C ATOM 1290 C LEU A 83 -5.710 7.731 -1.007 1.00 0.00 C ATOM 1291 O LEU A 83 -5.903 8.941 -0.906 1.00 0.00 O ATOM 1292 CB LEU A 83 -7.576 6.091 -1.113 1.00 0.00 C ATOM 1293 CG LEU A 83 -8.185 4.898 -1.837 1.00 0.00 C ATOM 1294 CD1 LEU A 83 -9.324 4.309 -1.024 1.00 0.00 C ATOM 1295 CD2 LEU A 83 -8.658 5.302 -3.227 1.00 0.00 C ATOM 0 H LEU A 83 -5.880 5.002 -2.560 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.107 7.540 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.088 5.737 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.379 6.760 -0.804 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.419 4.131 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.748 3.457 -1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.948 3.981 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.095 5.065 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.090 4.437 -3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.411 6.086 -3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.812 5.673 -3.806 1.00 0.00 H new ATOM 1307 N ALA A 84 -4.754 7.095 -0.337 1.00 0.00 N ATOM 1308 CA ALA A 84 -3.867 7.818 0.569 1.00 0.00 C ATOM 1309 C ALA A 84 -3.190 8.969 -0.158 1.00 0.00 C ATOM 1310 O ALA A 84 -2.897 10.011 0.427 1.00 0.00 O ATOM 1311 CB ALA A 84 -2.808 6.889 1.130 1.00 0.00 C ATOM 0 H ALA A 84 -4.574 6.093 -0.402 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.469 8.212 1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.156 7.445 1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.288 6.078 1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.217 6.475 0.313 1.00 0.00 H new ATOM 1317 N VAL A 85 -2.948 8.767 -1.442 1.00 0.00 N ATOM 1318 CA VAL A 85 -2.305 9.779 -2.267 1.00 0.00 C ATOM 1319 C VAL A 85 -3.318 10.772 -2.815 1.00 0.00 C ATOM 1320 O VAL A 85 -2.958 11.862 -3.259 1.00 0.00 O ATOM 1321 CB VAL A 85 -1.491 9.169 -3.434 1.00 0.00 C ATOM 1322 CG1 VAL A 85 -0.040 9.581 -3.305 1.00 0.00 C ATOM 1323 CG2 VAL A 85 -1.598 7.649 -3.476 1.00 0.00 C ATOM 0 H VAL A 85 -3.188 7.909 -1.938 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.608 10.301 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.908 9.549 -4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.534 9.152 -4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.034 10.668 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.358 9.220 -2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.011 7.266 -4.311 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.218 7.232 -2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.641 7.361 -3.604 1.00 0.00 H new ATOM 1333 N ALA A 86 -4.581 10.386 -2.783 1.00 0.00 N ATOM 1334 CA ALA A 86 -5.650 11.231 -3.276 1.00 0.00 C ATOM 1335 C ALA A 86 -6.588 11.655 -2.150 1.00 0.00 C ATOM 1336 O ALA A 86 -7.685 12.155 -2.397 1.00 0.00 O ATOM 1337 CB ALA A 86 -6.410 10.482 -4.344 1.00 0.00 C ATOM 0 H ALA A 86 -4.891 9.486 -2.418 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.219 12.139 -3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.218 11.108 -4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.734 10.228 -5.161 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.827 9.568 -3.921 1.00 0.00 H new ATOM 1343 N CYS A 87 -6.150 11.446 -0.913 1.00 0.00 N ATOM 1344 CA CYS A 87 -6.950 11.799 0.251 1.00 0.00 C ATOM 1345 C CYS A 87 -6.061 12.062 1.463 1.00 0.00 C ATOM 1346 O CYS A 87 -6.287 13.013 2.211 1.00 0.00 O ATOM 1347 CB CYS A 87 -7.946 10.682 0.567 1.00 0.00 C ATOM 1348 SG CYS A 87 -9.485 11.258 1.320 1.00 0.00 S ATOM 0 H CYS A 87 -5.244 11.033 -0.692 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.499 12.712 0.021 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.182 10.149 -0.354 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.472 9.966 1.238 1.00 0.00 H new ATOM 0 HG CYS A 87 -10.263 10.242 1.548 1.00 0.00 H new ATOM 1354 N HIS A 88 -5.047 11.220 1.653 1.00 0.00 N ATOM 1355 CA HIS A 88 -4.133 11.384 2.780 1.00 0.00 C ATOM 1356 C HIS A 88 -2.987 12.320 2.413 1.00 0.00 C ATOM 1357 O HIS A 88 -2.586 12.404 1.253 1.00 0.00 O ATOM 1358 CB HIS A 88 -3.581 10.030 3.234 1.00 0.00 C ATOM 1359 CG HIS A 88 -2.943 10.073 4.589 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -1.640 10.138 4.952 1.00 0.00 N flip ATOM 1361 CD2 HIS A 88 -3.666 10.054 5.763 1.00 0.00 C flip ATOM 1362 CE1 HIS A 88 -1.602 10.156 6.325 1.00 0.00 C flip ATOM 1363 NE2 HIS A 88 -2.836 10.106 6.790 1.00 0.00 N flip ATOM 0 H HIS A 88 -4.839 10.426 1.048 1.00 0.00 H new ATOM 0 HA HIS A 88 -4.693 11.825 3.605 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -4.391 9.301 3.245 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -2.848 9.682 2.506 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.743 10.004 5.832 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -0.707 10.203 6.927 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -3.104 10.107 7.774 1.00 0.00 H new ATOM 1372 N GLU A 89 -2.466 13.027 3.411 1.00 0.00 N ATOM 1373 CA GLU A 89 -1.367 13.965 3.197 1.00 0.00 C ATOM 1374 C GLU A 89 -0.202 13.295 2.474 1.00 0.00 C ATOM 1375 O GLU A 89 0.481 12.440 3.038 1.00 0.00 O ATOM 1376 CB GLU A 89 -0.892 14.538 4.533 1.00 0.00 C ATOM 1377 CG GLU A 89 -0.466 15.996 4.452 1.00 0.00 C ATOM 1378 CD GLU A 89 -1.116 16.855 5.518 1.00 0.00 C ATOM 1379 OE1 GLU A 89 -0.574 16.920 6.641 1.00 0.00 O ATOM 1380 OE2 GLU A 89 -2.168 17.464 5.230 1.00 0.00 O ATOM 0 H GLU A 89 -2.787 12.969 4.377 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.736 14.776 2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.693 14.442 5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.055 13.943 4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.618 16.060 4.551 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.720 16.391 3.468 1.00 0.00 H new ATOM 1387 N SER A 90 0.016 13.691 1.224 1.00 0.00 N ATOM 1388 CA SER A 90 1.098 13.132 0.421 1.00 0.00 C ATOM 1389 C SER A 90 1.139 13.779 -0.960 1.00 0.00 C ATOM 1390 O SER A 90 2.118 14.433 -1.321 1.00 0.00 O ATOM 1391 CB SER A 90 0.930 11.617 0.283 1.00 0.00 C ATOM 1392 OG SER A 90 1.637 10.930 1.302 1.00 0.00 O ATOM 0 H SER A 90 -0.543 14.397 0.745 1.00 0.00 H new ATOM 0 HA SER A 90 2.040 13.340 0.929 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.128 11.359 0.333 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.291 11.296 -0.694 1.00 0.00 H new ATOM 0 HG SER A 90 1.577 11.435 2.140 1.00 0.00 H new ATOM 1398 N PHE A 91 0.070 13.593 -1.727 1.00 0.00 N ATOM 1399 CA PHE A 91 -0.018 14.159 -3.069 1.00 0.00 C ATOM 1400 C PHE A 91 -1.132 15.195 -3.157 1.00 0.00 C ATOM 1401 O PHE A 91 -1.033 16.165 -3.908 1.00 0.00 O ATOM 1402 CB PHE A 91 -0.269 13.056 -4.097 1.00 0.00 C ATOM 1403 CG PHE A 91 0.970 12.624 -4.829 1.00 0.00 C ATOM 1404 CD1 PHE A 91 2.137 12.344 -4.137 1.00 0.00 C ATOM 1405 CD2 PHE A 91 0.967 12.500 -6.209 1.00 0.00 C ATOM 1406 CE1 PHE A 91 3.279 11.949 -4.808 1.00 0.00 C ATOM 1407 CE2 PHE A 91 2.106 12.105 -6.886 1.00 0.00 C ATOM 1408 CZ PHE A 91 3.263 11.829 -6.185 1.00 0.00 C ATOM 0 H PHE A 91 -0.748 13.054 -1.442 1.00 0.00 H new ATOM 0 HA PHE A 91 0.932 14.648 -3.285 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -0.703 12.193 -3.593 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.005 13.406 -4.821 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.155 12.435 -3.061 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.065 12.714 -6.762 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.183 11.734 -4.257 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.091 12.012 -7.962 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.154 11.520 -6.712 1.00 0.00 H new ATOM 1418 N VAL A 92 -2.197 14.974 -2.392 1.00 0.00 N ATOM 1419 CA VAL A 92 -3.340 15.881 -2.387 1.00 0.00 C ATOM 1420 C VAL A 92 -2.898 17.342 -2.332 1.00 0.00 C ATOM 1421 O VAL A 92 -1.963 17.691 -1.613 1.00 0.00 O ATOM 1422 CB VAL A 92 -4.280 15.595 -1.199 1.00 0.00 C ATOM 1423 CG1 VAL A 92 -5.555 16.415 -1.318 1.00 0.00 C ATOM 1424 CG2 VAL A 92 -4.596 14.107 -1.111 1.00 0.00 C ATOM 0 H VAL A 92 -2.292 14.174 -1.767 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.877 15.708 -3.319 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.773 15.888 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.206 16.200 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.306 17.476 -1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.068 16.157 -2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.261 13.926 -0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.082 13.783 -2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.672 13.546 -0.972 1.00 0.00 H new ATOM 1638 N THR B 4 -11.694 4.649 11.810 1.00 0.00 N ATOM 1639 CA THR B 4 -11.939 3.261 11.426 1.00 0.00 C ATOM 1640 C THR B 4 -10.655 2.453 11.461 1.00 0.00 C ATOM 1641 O THR B 4 -9.561 2.978 11.260 1.00 0.00 O ATOM 1642 CB THR B 4 -12.576 3.188 10.033 1.00 0.00 C ATOM 1643 OG1 THR B 4 -12.486 1.875 9.507 1.00 0.00 O ATOM 1644 CG2 THR B 4 -11.946 4.130 9.029 1.00 0.00 C ATOM 0 HA THR B 4 -12.633 2.832 12.148 1.00 0.00 H new ATOM 0 HB THR B 4 -13.614 3.486 10.179 1.00 0.00 H new ATOM 0 HG1 THR B 4 -12.264 1.919 8.553 1.00 0.00 H new ATOM 0 HG21 THR B 4 -12.447 4.024 8.067 1.00 0.00 H new ATOM 0 HG22 THR B 4 -12.048 5.157 9.380 1.00 0.00 H new ATOM 0 HG23 THR B 4 -10.889 3.888 8.917 1.00 0.00 H new ATOM 1652 N GLU B 5 -10.808 1.166 11.731 1.00 0.00 N ATOM 1653 CA GLU B 5 -9.685 0.244 11.813 1.00 0.00 C ATOM 1654 C GLU B 5 -8.708 0.452 10.658 1.00 0.00 C ATOM 1655 O GLU B 5 -7.501 0.575 10.870 1.00 0.00 O ATOM 1656 CB GLU B 5 -10.221 -1.181 11.811 1.00 0.00 C ATOM 1657 CG GLU B 5 -9.529 -2.098 12.806 1.00 0.00 C ATOM 1658 CD GLU B 5 -8.450 -2.947 12.162 1.00 0.00 C ATOM 1659 OE1 GLU B 5 -7.894 -2.518 11.130 1.00 0.00 O ATOM 1660 OE2 GLU B 5 -8.162 -4.041 12.692 1.00 0.00 O ATOM 0 H GLU B 5 -11.715 0.731 11.900 1.00 0.00 H new ATOM 0 HA GLU B 5 -9.136 0.432 12.736 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -11.288 -1.158 12.033 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -10.113 -1.599 10.810 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -9.088 -1.498 13.602 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -10.270 -2.749 13.271 1.00 0.00 H new ATOM 1667 N THR B 6 -9.236 0.503 9.440 1.00 0.00 N ATOM 1668 CA THR B 6 -8.406 0.712 8.261 1.00 0.00 C ATOM 1669 C THR B 6 -7.748 2.085 8.311 1.00 0.00 C ATOM 1670 O THR B 6 -6.628 2.263 7.834 1.00 0.00 O ATOM 1671 CB THR B 6 -9.242 0.581 6.990 1.00 0.00 C ATOM 1672 OG1 THR B 6 -10.140 -0.510 7.090 1.00 0.00 O ATOM 1673 CG2 THR B 6 -8.403 0.373 5.751 1.00 0.00 C ATOM 0 H THR B 6 -10.232 0.403 9.244 1.00 0.00 H new ATOM 0 HA THR B 6 -7.628 -0.051 8.250 1.00 0.00 H new ATOM 0 HB THR B 6 -9.780 1.524 6.895 1.00 0.00 H new ATOM 0 HG1 THR B 6 -10.668 -0.576 6.267 1.00 0.00 H new ATOM 0 HG21 THR B 6 -9.054 0.287 4.881 1.00 0.00 H new ATOM 0 HG22 THR B 6 -7.732 1.222 5.620 1.00 0.00 H new ATOM 0 HG23 THR B 6 -7.817 -0.540 5.857 1.00 0.00 H new ATOM 1681 N GLU B 7 -8.448 3.053 8.904 1.00 0.00 N ATOM 1682 CA GLU B 7 -7.929 4.414 9.022 1.00 0.00 C ATOM 1683 C GLU B 7 -6.538 4.399 9.639 1.00 0.00 C ATOM 1684 O GLU B 7 -5.646 5.130 9.207 1.00 0.00 O ATOM 1685 CB GLU B 7 -8.867 5.272 9.877 1.00 0.00 C ATOM 1686 CG GLU B 7 -9.145 6.643 9.283 1.00 0.00 C ATOM 1687 CD GLU B 7 -8.519 7.766 10.087 1.00 0.00 C ATOM 1688 OE1 GLU B 7 -7.454 7.536 10.698 1.00 0.00 O ATOM 1689 OE2 GLU B 7 -9.093 8.875 10.106 1.00 0.00 O ATOM 0 H GLU B 7 -9.374 2.919 9.309 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.869 4.845 8.023 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -9.811 4.743 10.008 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -8.431 5.396 10.868 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -8.764 6.676 8.262 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -10.222 6.799 9.227 1.00 0.00 H new ATOM 1696 N ARG B 8 -6.356 3.548 10.640 1.00 0.00 N ATOM 1697 CA ARG B 8 -5.069 3.422 11.306 1.00 0.00 C ATOM 1698 C ARG B 8 -4.084 2.659 10.423 1.00 0.00 C ATOM 1699 O ARG B 8 -2.873 2.844 10.528 1.00 0.00 O ATOM 1700 CB ARG B 8 -5.234 2.710 12.651 1.00 0.00 C ATOM 1701 CG ARG B 8 -4.745 3.528 13.835 1.00 0.00 C ATOM 1702 CD ARG B 8 -5.825 4.469 14.346 1.00 0.00 C ATOM 1703 NE ARG B 8 -5.263 5.705 14.885 1.00 0.00 N ATOM 1704 CZ ARG B 8 -5.921 6.526 15.699 1.00 0.00 C ATOM 1705 NH1 ARG B 8 -7.166 6.247 16.069 1.00 0.00 N ATOM 1706 NH2 ARG B 8 -5.336 7.628 16.144 1.00 0.00 N ATOM 0 H ARG B 8 -7.084 2.935 11.008 1.00 0.00 H new ATOM 0 HA ARG B 8 -4.673 4.422 11.485 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -6.286 2.467 12.798 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -4.690 1.766 12.622 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -4.434 2.859 14.637 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -3.867 4.104 13.543 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -6.512 4.707 13.534 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -6.407 3.968 15.120 1.00 0.00 H new ATOM 0 HE ARG B 8 -4.309 5.953 14.622 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -7.622 5.400 15.729 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -7.666 6.880 16.693 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -4.380 7.847 15.863 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -5.841 8.257 16.768 1.00 0.00 H new ATOM 1719 N CYS B 9 -4.617 1.801 9.555 1.00 0.00 N ATOM 1720 CA CYS B 9 -3.794 1.001 8.652 1.00 0.00 C ATOM 1721 C CYS B 9 -3.108 1.870 7.603 1.00 0.00 C ATOM 1722 O CYS B 9 -1.889 1.817 7.443 1.00 0.00 O ATOM 1723 CB CYS B 9 -4.648 -0.066 7.963 1.00 0.00 C ATOM 1724 SG CYS B 9 -5.406 -1.251 9.100 1.00 0.00 S ATOM 0 H CYS B 9 -5.620 1.642 9.458 1.00 0.00 H new ATOM 0 HA CYS B 9 -3.021 0.517 9.250 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -5.434 0.427 7.391 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -4.027 -0.609 7.250 1.00 0.00 H new ATOM 0 HG CYS B 9 -5.251 -2.456 8.638 1.00 0.00 H new ATOM 1730 N ILE B 10 -3.893 2.666 6.883 1.00 0.00 N ATOM 1731 CA ILE B 10 -3.353 3.538 5.847 1.00 0.00 C ATOM 1732 C ILE B 10 -2.188 4.369 6.373 1.00 0.00 C ATOM 1733 O ILE B 10 -1.090 4.337 5.821 1.00 0.00 O ATOM 1734 CB ILE B 10 -4.432 4.495 5.295 1.00 0.00 C ATOM 1735 CG1 ILE B 10 -5.734 3.743 5.013 1.00 0.00 C ATOM 1736 CG2 ILE B 10 -3.935 5.185 4.033 1.00 0.00 C ATOM 1737 CD1 ILE B 10 -6.847 4.091 5.969 1.00 0.00 C ATOM 0 H ILE B 10 -4.905 2.725 6.998 1.00 0.00 H new ATOM 0 HA ILE B 10 -3.003 2.888 5.045 1.00 0.00 H new ATOM 0 HB ILE B 10 -4.633 5.254 6.052 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -6.058 3.962 3.995 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -5.544 2.671 5.064 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -4.707 5.856 3.657 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -3.036 5.758 4.261 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -3.705 4.436 3.275 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -7.740 3.522 5.711 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -6.542 3.846 6.987 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -7.064 5.157 5.902 1.00 0.00 H new ATOM 1749 N GLU B 11 -2.439 5.120 7.438 1.00 0.00 N ATOM 1750 CA GLU B 11 -1.419 5.975 8.036 1.00 0.00 C ATOM 1751 C GLU B 11 -0.151 5.195 8.376 1.00 0.00 C ATOM 1752 O GLU B 11 0.941 5.761 8.412 1.00 0.00 O ATOM 1753 CB GLU B 11 -1.968 6.657 9.292 1.00 0.00 C ATOM 1754 CG GLU B 11 -2.158 8.156 9.130 1.00 0.00 C ATOM 1755 CD GLU B 11 -1.994 8.910 10.436 1.00 0.00 C ATOM 1756 OE1 GLU B 11 -2.271 8.318 11.501 1.00 0.00 O ATOM 1757 OE2 GLU B 11 -1.589 10.089 10.394 1.00 0.00 O ATOM 0 H GLU B 11 -3.344 5.155 7.908 1.00 0.00 H new ATOM 0 HA GLU B 11 -1.154 6.733 7.299 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -2.924 6.203 9.555 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -1.288 6.472 10.124 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -1.438 8.533 8.404 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -3.151 8.351 8.725 1.00 0.00 H new ATOM 1764 N SER B 12 -0.297 3.902 8.641 1.00 0.00 N ATOM 1765 CA SER B 12 0.848 3.070 8.994 1.00 0.00 C ATOM 1766 C SER B 12 1.874 3.008 7.865 1.00 0.00 C ATOM 1767 O SER B 12 3.049 3.304 8.075 1.00 0.00 O ATOM 1768 CB SER B 12 0.392 1.653 9.350 1.00 0.00 C ATOM 1769 OG SER B 12 -0.974 1.631 9.718 1.00 0.00 O ATOM 0 H SER B 12 -1.190 3.409 8.619 1.00 0.00 H new ATOM 0 HA SER B 12 1.324 3.529 9.861 1.00 0.00 H new ATOM 0 HB2 SER B 12 0.552 0.992 8.498 1.00 0.00 H new ATOM 0 HB3 SER B 12 0.998 1.269 10.170 1.00 0.00 H new ATOM 0 HG SER B 12 -1.156 2.363 10.344 1.00 0.00 H new ATOM 1775 N LEU B 13 1.436 2.601 6.676 1.00 0.00 N ATOM 1776 CA LEU B 13 2.330 2.477 5.534 1.00 0.00 C ATOM 1777 C LEU B 13 2.805 3.829 5.003 1.00 0.00 C ATOM 1778 O LEU B 13 3.989 4.028 4.779 1.00 0.00 O ATOM 1779 CB LEU B 13 1.631 1.699 4.428 1.00 0.00 C ATOM 1780 CG LEU B 13 1.920 0.203 4.426 1.00 0.00 C ATOM 1781 CD1 LEU B 13 3.392 -0.052 4.169 1.00 0.00 C ATOM 1782 CD2 LEU B 13 1.516 -0.436 5.738 1.00 0.00 C ATOM 0 H LEU B 13 0.466 2.352 6.481 1.00 0.00 H new ATOM 0 HA LEU B 13 3.218 1.943 5.871 1.00 0.00 H new ATOM 0 HB2 LEU B 13 0.555 1.848 4.521 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.928 2.115 3.465 1.00 0.00 H new ATOM 0 HG LEU B 13 1.331 -0.246 3.626 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.581 -1.125 4.171 1.00 0.00 H new ATOM 0 HD12 LEU B 13 3.670 0.364 3.200 1.00 0.00 H new ATOM 0 HD13 LEU B 13 3.985 0.422 4.951 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.735 -1.503 5.705 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.074 0.024 6.554 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.448 -0.289 5.901 1.00 0.00 H new ATOM 1794 N ILE B 14 1.886 4.754 4.792 1.00 0.00 N ATOM 1795 CA ILE B 14 2.241 6.069 4.279 1.00 0.00 C ATOM 1796 C ILE B 14 3.377 6.692 5.049 1.00 0.00 C ATOM 1797 O ILE B 14 4.109 7.523 4.532 1.00 0.00 O ATOM 1798 CB ILE B 14 1.090 7.065 4.411 1.00 0.00 C ATOM 1799 CG1 ILE B 14 -0.240 6.476 3.989 1.00 0.00 C ATOM 1800 CG2 ILE B 14 1.395 8.306 3.615 1.00 0.00 C ATOM 1801 CD1 ILE B 14 -1.380 7.099 4.743 1.00 0.00 C ATOM 0 H ILE B 14 0.890 4.621 4.967 1.00 0.00 H new ATOM 0 HA ILE B 14 2.508 5.892 3.237 1.00 0.00 H new ATOM 0 HB ILE B 14 0.998 7.321 5.467 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -0.384 6.628 2.919 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.234 5.400 4.160 1.00 0.00 H new ATOM 0 HG21 ILE B 14 0.571 9.013 3.713 1.00 0.00 H new ATOM 0 HG22 ILE B 14 2.311 8.763 3.990 1.00 0.00 H new ATOM 0 HG23 ILE B 14 1.524 8.042 2.565 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.319 6.653 4.416 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -1.248 6.925 5.811 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.401 8.172 4.550 1.00 0.00 H new ATOM 1813 N ALA B 15 3.464 6.337 6.305 1.00 0.00 N ATOM 1814 CA ALA B 15 4.440 6.920 7.188 1.00 0.00 C ATOM 1815 C ALA B 15 5.779 6.212 7.134 1.00 0.00 C ATOM 1816 O ALA B 15 6.822 6.850 7.267 1.00 0.00 O ATOM 1817 CB ALA B 15 3.844 6.968 8.570 1.00 0.00 C ATOM 0 H ALA B 15 2.863 5.639 6.743 1.00 0.00 H new ATOM 0 HA ALA B 15 4.670 7.935 6.863 1.00 0.00 H new ATOM 0 HB1 ALA B 15 4.564 7.406 9.262 1.00 0.00 H new ATOM 0 HB2 ALA B 15 2.939 7.575 8.555 1.00 0.00 H new ATOM 0 HB3 ALA B 15 3.598 5.957 8.895 1.00 0.00 H new ATOM 1823 N VAL B 16 5.767 4.908 6.886 1.00 0.00 N ATOM 1824 CA VAL B 16 7.007 4.174 6.757 1.00 0.00 C ATOM 1825 C VAL B 16 7.868 4.885 5.714 1.00 0.00 C ATOM 1826 O VAL B 16 9.094 4.932 5.811 1.00 0.00 O ATOM 1827 CB VAL B 16 6.753 2.727 6.300 1.00 0.00 C ATOM 1828 CG1 VAL B 16 5.772 2.023 7.208 1.00 0.00 C ATOM 1829 CG2 VAL B 16 6.225 2.714 4.888 1.00 0.00 C ATOM 0 H VAL B 16 4.922 4.349 6.772 1.00 0.00 H new ATOM 0 HA VAL B 16 7.506 4.139 7.725 1.00 0.00 H new ATOM 0 HB VAL B 16 7.704 2.196 6.344 1.00 0.00 H new ATOM 0 HG11 VAL B 16 5.617 1.004 6.855 1.00 0.00 H new ATOM 0 HG12 VAL B 16 6.168 1.999 8.223 1.00 0.00 H new ATOM 0 HG13 VAL B 16 4.822 2.558 7.202 1.00 0.00 H new ATOM 0 HG21 VAL B 16 6.049 1.685 4.575 1.00 0.00 H new ATOM 0 HG22 VAL B 16 5.290 3.272 4.844 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.954 3.176 4.223 1.00 0.00 H new ATOM 1839 N PHE B 17 7.176 5.451 4.722 1.00 0.00 N ATOM 1840 CA PHE B 17 7.817 6.193 3.641 1.00 0.00 C ATOM 1841 C PHE B 17 8.154 7.613 4.084 1.00 0.00 C ATOM 1842 O PHE B 17 9.306 8.037 4.009 1.00 0.00 O ATOM 1843 CB PHE B 17 6.911 6.250 2.406 1.00 0.00 C ATOM 1844 CG PHE B 17 5.983 5.076 2.268 1.00 0.00 C ATOM 1845 CD1 PHE B 17 6.482 3.787 2.212 1.00 0.00 C ATOM 1846 CD2 PHE B 17 4.614 5.266 2.188 1.00 0.00 C ATOM 1847 CE1 PHE B 17 5.631 2.705 2.077 1.00 0.00 C ATOM 1848 CE2 PHE B 17 3.759 4.189 2.055 1.00 0.00 C ATOM 1849 CZ PHE B 17 4.269 2.907 1.999 1.00 0.00 C ATOM 0 H PHE B 17 6.160 5.406 4.648 1.00 0.00 H new ATOM 0 HA PHE B 17 8.738 5.670 3.384 1.00 0.00 H new ATOM 0 HB2 PHE B 17 6.319 7.164 2.446 1.00 0.00 H new ATOM 0 HB3 PHE B 17 7.535 6.313 1.514 1.00 0.00 H new ATOM 0 HD1 PHE B 17 7.548 3.624 2.274 1.00 0.00 H new ATOM 0 HD2 PHE B 17 4.210 6.267 2.230 1.00 0.00 H new ATOM 0 HE1 PHE B 17 6.033 1.703 2.033 1.00 0.00 H new ATOM 0 HE2 PHE B 17 2.693 4.350 1.995 1.00 0.00 H new ATOM 0 HZ PHE B 17 3.602 2.064 1.894 1.00 0.00 H new ATOM 1859 N GLN B 18 7.137 8.350 4.536 1.00 0.00 N ATOM 1860 CA GLN B 18 7.330 9.735 4.974 1.00 0.00 C ATOM 1861 C GLN B 18 8.511 9.858 5.926 1.00 0.00 C ATOM 1862 O GLN B 18 9.132 10.916 6.018 1.00 0.00 O ATOM 1863 CB GLN B 18 6.076 10.268 5.666 1.00 0.00 C ATOM 1864 CG GLN B 18 4.802 10.027 4.889 1.00 0.00 C ATOM 1865 CD GLN B 18 4.541 11.095 3.853 1.00 0.00 C ATOM 1866 OE1 GLN B 18 3.834 12.069 4.107 1.00 0.00 O ATOM 1867 NE2 GLN B 18 5.117 10.909 2.673 1.00 0.00 N ATOM 0 H GLN B 18 6.177 8.014 4.608 1.00 0.00 H new ATOM 0 HA GLN B 18 7.532 10.326 4.081 1.00 0.00 H new ATOM 0 HB2 GLN B 18 5.987 9.800 6.646 1.00 0.00 H new ATOM 0 HB3 GLN B 18 6.192 11.339 5.833 1.00 0.00 H new ATOM 0 HG2 GLN B 18 4.859 9.056 4.397 1.00 0.00 H new ATOM 0 HG3 GLN B 18 3.961 9.985 5.581 1.00 0.00 H new ATOM 0 HE21 GLN B 18 5.695 10.084 2.512 1.00 0.00 H new ATOM 0 HE22 GLN B 18 4.982 11.591 1.927 1.00 0.00 H new ATOM 1876 N LYS B 19 8.831 8.778 6.624 1.00 0.00 N ATOM 1877 CA LYS B 19 9.953 8.797 7.545 1.00 0.00 C ATOM 1878 C LYS B 19 11.248 9.044 6.777 1.00 0.00 C ATOM 1879 O LYS B 19 12.023 9.941 7.113 1.00 0.00 O ATOM 1880 CB LYS B 19 10.035 7.470 8.304 1.00 0.00 C ATOM 1881 CG LYS B 19 10.713 7.578 9.661 1.00 0.00 C ATOM 1882 CD LYS B 19 10.067 8.647 10.528 1.00 0.00 C ATOM 1883 CE LYS B 19 10.943 9.886 10.634 1.00 0.00 C ATOM 1884 NZ LYS B 19 10.489 10.797 11.721 1.00 0.00 N ATOM 0 H LYS B 19 8.335 7.888 6.570 1.00 0.00 H new ATOM 0 HA LYS B 19 9.808 9.602 8.265 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.027 7.079 8.442 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.577 6.747 7.694 1.00 0.00 H new ATOM 0 HG2 LYS B 19 10.662 6.616 10.171 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.769 7.810 9.523 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.099 8.920 10.109 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.881 8.245 11.524 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.975 9.586 10.819 1.00 0.00 H new ATOM 0 HE3 LYS B 19 10.932 10.421 9.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 11.112 11.629 11.760 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 9.513 11.104 11.532 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 10.524 10.296 12.631 1.00 0.00 H new ATOM 1898 N TYR B 20 11.456 8.258 5.725 1.00 0.00 N ATOM 1899 CA TYR B 20 12.633 8.398 4.876 1.00 0.00 C ATOM 1900 C TYR B 20 12.428 9.540 3.893 1.00 0.00 C ATOM 1901 O TYR B 20 13.275 10.417 3.729 1.00 0.00 O ATOM 1902 CB TYR B 20 12.909 7.097 4.112 1.00 0.00 C ATOM 1903 CG TYR B 20 12.392 5.848 4.799 1.00 0.00 C ATOM 1904 CD1 TYR B 20 12.455 5.710 6.180 1.00 0.00 C ATOM 1905 CD2 TYR B 20 11.840 4.807 4.063 1.00 0.00 C ATOM 1906 CE1 TYR B 20 11.985 4.572 6.807 1.00 0.00 C ATOM 1907 CE2 TYR B 20 11.367 3.665 4.682 1.00 0.00 C ATOM 1908 CZ TYR B 20 11.442 3.553 6.054 1.00 0.00 C ATOM 1909 OH TYR B 20 10.971 2.418 6.674 1.00 0.00 O ATOM 0 H TYR B 20 10.820 7.513 5.439 1.00 0.00 H new ATOM 0 HA TYR B 20 13.492 8.616 5.510 1.00 0.00 H new ATOM 0 HB2 TYR B 20 12.456 7.167 3.123 1.00 0.00 H new ATOM 0 HB3 TYR B 20 13.984 6.997 3.964 1.00 0.00 H new ATOM 0 HD1 TYR B 20 12.879 6.506 6.774 1.00 0.00 H new ATOM 0 HD2 TYR B 20 11.779 4.891 2.988 1.00 0.00 H new ATOM 0 HE1 TYR B 20 12.043 4.481 7.882 1.00 0.00 H new ATOM 0 HE2 TYR B 20 10.941 2.865 4.094 1.00 0.00 H new ATOM 0 HH TYR B 20 10.620 1.799 6.000 1.00 0.00 H new ATOM 1919 N ALA B 21 11.283 9.478 3.230 1.00 0.00 N ATOM 1920 CA ALA B 21 10.886 10.447 2.222 1.00 0.00 C ATOM 1921 C ALA B 21 10.758 11.856 2.796 1.00 0.00 C ATOM 1922 O ALA B 21 11.341 12.804 2.270 1.00 0.00 O ATOM 1923 CB ALA B 21 9.575 9.979 1.605 1.00 0.00 C ATOM 0 H ALA B 21 10.594 8.741 3.380 1.00 0.00 H new ATOM 0 HA ALA B 21 11.660 10.506 1.457 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.256 10.691 0.844 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.717 9.000 1.148 1.00 0.00 H new ATOM 0 HB3 ALA B 21 8.812 9.911 2.380 1.00 0.00 H new ATOM 1929 N GLY B 22 9.997 11.984 3.874 1.00 0.00 N ATOM 1930 CA GLY B 22 9.809 13.280 4.499 1.00 0.00 C ATOM 1931 C GLY B 22 11.033 13.734 5.269 1.00 0.00 C ATOM 1932 O GLY B 22 11.938 14.347 4.705 1.00 0.00 O ATOM 0 H GLY B 22 9.506 11.214 4.328 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.570 14.018 3.733 1.00 0.00 H new ATOM 0 HA3 GLY B 22 8.955 13.234 5.174 1.00 0.00 H new ATOM 2006 N VAL B 28 7.150 14.991 -1.703 1.00 0.00 N ATOM 2007 CA VAL B 28 6.273 13.943 -2.210 1.00 0.00 C ATOM 2008 C VAL B 28 7.074 12.807 -2.840 1.00 0.00 C ATOM 2009 O VAL B 28 6.580 12.101 -3.719 1.00 0.00 O ATOM 2010 CB VAL B 28 5.284 14.494 -3.253 1.00 0.00 C ATOM 2011 CG1 VAL B 28 4.318 15.476 -2.609 1.00 0.00 C ATOM 2012 CG2 VAL B 28 6.032 15.148 -4.404 1.00 0.00 C ATOM 0 HA VAL B 28 5.716 13.560 -1.355 1.00 0.00 H new ATOM 0 HB VAL B 28 4.705 13.661 -3.652 1.00 0.00 H new ATOM 0 HG11 VAL B 28 3.627 15.854 -3.363 1.00 0.00 H new ATOM 0 HG12 VAL B 28 3.757 14.971 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL B 28 4.877 16.307 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL B 28 5.317 15.532 -5.132 1.00 0.00 H new ATOM 0 HG22 VAL B 28 6.639 15.970 -4.023 1.00 0.00 H new ATOM 0 HG23 VAL B 28 6.678 14.412 -4.883 1.00 0.00 H new ATOM 2022 N THR B 29 8.313 12.637 -2.388 1.00 0.00 N ATOM 2023 CA THR B 29 9.178 11.588 -2.911 1.00 0.00 C ATOM 2024 C THR B 29 10.148 11.090 -1.841 1.00 0.00 C ATOM 2025 O THR B 29 10.105 11.531 -0.693 1.00 0.00 O ATOM 2026 CB THR B 29 9.953 12.096 -4.126 1.00 0.00 C ATOM 2027 OG1 THR B 29 10.453 13.400 -3.893 1.00 0.00 O ATOM 2028 CG2 THR B 29 9.118 12.141 -5.387 1.00 0.00 C ATOM 0 H THR B 29 8.739 13.212 -1.661 1.00 0.00 H new ATOM 0 HA THR B 29 8.547 10.752 -3.215 1.00 0.00 H new ATOM 0 HB THR B 29 10.766 11.384 -4.271 1.00 0.00 H new ATOM 0 HG1 THR B 29 10.947 13.707 -4.682 1.00 0.00 H new ATOM 0 HG21 THR B 29 9.726 12.510 -6.213 1.00 0.00 H new ATOM 0 HG22 THR B 29 8.758 11.139 -5.621 1.00 0.00 H new ATOM 0 HG23 THR B 29 8.268 12.806 -5.237 1.00 0.00 H new ATOM 2036 N LEU B 30 11.016 10.165 -2.232 1.00 0.00 N ATOM 2037 CA LEU B 30 12.001 9.588 -1.321 1.00 0.00 C ATOM 2038 C LEU B 30 13.336 9.374 -2.052 1.00 0.00 C ATOM 2039 O LEU B 30 13.879 10.312 -2.631 1.00 0.00 O ATOM 2040 CB LEU B 30 11.455 8.271 -0.749 1.00 0.00 C ATOM 2041 CG LEU B 30 11.989 7.856 0.627 1.00 0.00 C ATOM 2042 CD1 LEU B 30 11.732 6.381 0.872 1.00 0.00 C ATOM 2043 CD2 LEU B 30 13.472 8.173 0.774 1.00 0.00 C ATOM 0 H LEU B 30 11.059 9.795 -3.182 1.00 0.00 H new ATOM 0 HA LEU B 30 12.185 10.273 -0.493 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.370 8.349 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.676 7.472 -1.457 1.00 0.00 H new ATOM 0 HG LEU B 30 11.453 8.436 1.379 1.00 0.00 H new ATOM 0 HD11 LEU B 30 12.117 6.103 1.853 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.660 6.187 0.835 1.00 0.00 H new ATOM 0 HD13 LEU B 30 12.234 5.792 0.105 1.00 0.00 H new ATOM 0 HD21 LEU B 30 13.814 7.865 1.762 1.00 0.00 H new ATOM 0 HD22 LEU B 30 14.036 7.637 0.011 1.00 0.00 H new ATOM 0 HD23 LEU B 30 13.629 9.245 0.654 1.00 0.00 H new ATOM 2055 N SER B 31 13.860 8.148 -2.035 1.00 0.00 N ATOM 2056 CA SER B 31 15.113 7.843 -2.709 1.00 0.00 C ATOM 2057 C SER B 31 15.358 6.339 -2.703 1.00 0.00 C ATOM 2058 O SER B 31 15.293 5.694 -1.656 1.00 0.00 O ATOM 2059 CB SER B 31 16.274 8.583 -2.036 1.00 0.00 C ATOM 2060 OG SER B 31 17.373 7.720 -1.794 1.00 0.00 O ATOM 0 H SER B 31 13.433 7.353 -1.560 1.00 0.00 H new ATOM 0 HA SER B 31 15.048 8.179 -3.744 1.00 0.00 H new ATOM 0 HB2 SER B 31 16.594 9.411 -2.668 1.00 0.00 H new ATOM 0 HB3 SER B 31 15.934 9.014 -1.094 1.00 0.00 H new ATOM 0 HG SER B 31 18.096 8.224 -1.366 1.00 0.00 H new ATOM 2066 N LYS B 32 15.636 5.785 -3.877 1.00 0.00 N ATOM 2067 CA LYS B 32 15.886 4.353 -4.008 1.00 0.00 C ATOM 2068 C LYS B 32 16.910 3.884 -2.978 1.00 0.00 C ATOM 2069 O LYS B 32 16.762 2.818 -2.381 1.00 0.00 O ATOM 2070 CB LYS B 32 16.386 4.035 -5.418 1.00 0.00 C ATOM 2071 CG LYS B 32 15.451 4.514 -6.518 1.00 0.00 C ATOM 2072 CD LYS B 32 15.862 3.966 -7.875 1.00 0.00 C ATOM 2073 CE LYS B 32 16.716 4.962 -8.644 1.00 0.00 C ATOM 2074 NZ LYS B 32 15.919 6.126 -9.120 1.00 0.00 N ATOM 0 H LYS B 32 15.694 6.305 -4.753 1.00 0.00 H new ATOM 0 HA LYS B 32 14.949 3.825 -3.830 1.00 0.00 H new ATOM 0 HB2 LYS B 32 17.365 4.493 -5.559 1.00 0.00 H new ATOM 0 HB3 LYS B 32 16.522 2.958 -5.512 1.00 0.00 H new ATOM 0 HG2 LYS B 32 14.431 4.202 -6.292 1.00 0.00 H new ATOM 0 HG3 LYS B 32 15.452 5.604 -6.549 1.00 0.00 H new ATOM 0 HD2 LYS B 32 16.417 3.037 -7.741 1.00 0.00 H new ATOM 0 HD3 LYS B 32 14.972 3.724 -8.456 1.00 0.00 H new ATOM 0 HE2 LYS B 32 17.527 5.314 -8.006 1.00 0.00 H new ATOM 0 HE3 LYS B 32 17.175 4.463 -9.497 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 16.437 6.615 -9.877 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 15.004 5.794 -9.486 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 15.758 6.783 -8.330 1.00 0.00 H new ATOM 2088 N THR B 33 17.945 4.690 -2.777 1.00 0.00 N ATOM 2089 CA THR B 33 18.994 4.369 -1.826 1.00 0.00 C ATOM 2090 C THR B 33 18.517 4.575 -0.388 1.00 0.00 C ATOM 2091 O THR B 33 18.808 3.768 0.491 1.00 0.00 O ATOM 2092 CB THR B 33 20.232 5.221 -2.110 1.00 0.00 C ATOM 2093 OG1 THR B 33 21.068 4.587 -3.063 1.00 0.00 O ATOM 2094 CG2 THR B 33 21.067 5.498 -0.884 1.00 0.00 C ATOM 0 H THR B 33 18.078 5.576 -3.265 1.00 0.00 H new ATOM 0 HA THR B 33 19.253 3.317 -1.941 1.00 0.00 H new ATOM 0 HB THR B 33 19.847 6.169 -2.486 1.00 0.00 H new ATOM 0 HG1 THR B 33 21.854 5.147 -3.233 1.00 0.00 H new ATOM 0 HG21 THR B 33 21.928 6.107 -1.160 1.00 0.00 H new ATOM 0 HG22 THR B 33 20.466 6.032 -0.148 1.00 0.00 H new ATOM 0 HG23 THR B 33 21.411 4.556 -0.458 1.00 0.00 H new ATOM 2102 N GLU B 34 17.788 5.659 -0.145 1.00 0.00 N ATOM 2103 CA GLU B 34 17.292 5.940 1.198 1.00 0.00 C ATOM 2104 C GLU B 34 16.479 4.763 1.720 1.00 0.00 C ATOM 2105 O GLU B 34 16.423 4.517 2.925 1.00 0.00 O ATOM 2106 CB GLU B 34 16.448 7.214 1.209 1.00 0.00 C ATOM 2107 CG GLU B 34 17.053 8.325 2.049 1.00 0.00 C ATOM 2108 CD GLU B 34 16.050 9.409 2.393 1.00 0.00 C ATOM 2109 OE1 GLU B 34 15.728 10.223 1.502 1.00 0.00 O ATOM 2110 OE2 GLU B 34 15.587 9.443 3.552 1.00 0.00 O ATOM 0 H GLU B 34 17.530 6.350 -0.850 1.00 0.00 H new ATOM 0 HA GLU B 34 18.150 6.092 1.854 1.00 0.00 H new ATOM 0 HB2 GLU B 34 16.323 7.568 0.186 1.00 0.00 H new ATOM 0 HB3 GLU B 34 15.454 6.980 1.589 1.00 0.00 H new ATOM 0 HG2 GLU B 34 17.455 7.902 2.970 1.00 0.00 H new ATOM 0 HG3 GLU B 34 17.890 8.768 1.510 1.00 0.00 H new ATOM 2117 N PHE B 35 15.866 4.032 0.799 1.00 0.00 N ATOM 2118 CA PHE B 35 15.069 2.869 1.158 1.00 0.00 C ATOM 2119 C PHE B 35 15.980 1.700 1.528 1.00 0.00 C ATOM 2120 O PHE B 35 15.598 0.822 2.301 1.00 0.00 O ATOM 2121 CB PHE B 35 14.145 2.477 0.002 1.00 0.00 C ATOM 2122 CG PHE B 35 12.757 2.105 0.443 1.00 0.00 C ATOM 2123 CD1 PHE B 35 11.961 3.022 1.107 1.00 0.00 C ATOM 2124 CD2 PHE B 35 12.251 0.840 0.193 1.00 0.00 C ATOM 2125 CE1 PHE B 35 10.683 2.686 1.514 1.00 0.00 C ATOM 2126 CE2 PHE B 35 10.975 0.497 0.598 1.00 0.00 C ATOM 2127 CZ PHE B 35 10.190 1.422 1.259 1.00 0.00 C ATOM 0 H PHE B 35 15.906 4.224 -0.202 1.00 0.00 H new ATOM 0 HA PHE B 35 14.454 3.121 2.022 1.00 0.00 H new ATOM 0 HB2 PHE B 35 14.084 3.308 -0.701 1.00 0.00 H new ATOM 0 HB3 PHE B 35 14.585 1.636 -0.535 1.00 0.00 H new ATOM 0 HD1 PHE B 35 12.343 4.012 1.310 1.00 0.00 H new ATOM 0 HD2 PHE B 35 12.860 0.114 -0.324 1.00 0.00 H new ATOM 0 HE1 PHE B 35 10.072 3.411 2.030 1.00 0.00 H new ATOM 0 HE2 PHE B 35 10.592 -0.493 0.398 1.00 0.00 H new ATOM 0 HZ PHE B 35 9.192 1.157 1.576 1.00 0.00 H new ATOM 2137 N LEU B 36 17.189 1.700 0.969 1.00 0.00 N ATOM 2138 CA LEU B 36 18.159 0.647 1.234 1.00 0.00 C ATOM 2139 C LEU B 36 18.529 0.583 2.698 1.00 0.00 C ATOM 2140 O LEU B 36 18.379 -0.446 3.356 1.00 0.00 O ATOM 2141 CB LEU B 36 19.437 0.918 0.448 1.00 0.00 C ATOM 2142 CG LEU B 36 19.534 0.188 -0.867 1.00 0.00 C ATOM 2143 CD1 LEU B 36 19.440 -1.308 -0.626 1.00 0.00 C ATOM 2144 CD2 LEU B 36 18.444 0.673 -1.804 1.00 0.00 C ATOM 0 H LEU B 36 17.518 2.422 0.328 1.00 0.00 H new ATOM 0 HA LEU B 36 17.701 -0.296 0.936 1.00 0.00 H new ATOM 0 HB2 LEU B 36 19.512 1.989 0.260 1.00 0.00 H new ATOM 0 HB3 LEU B 36 20.292 0.642 1.065 1.00 0.00 H new ATOM 0 HG LEU B 36 20.495 0.394 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU B 36 19.510 -1.835 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU B 36 20.256 -1.624 0.025 1.00 0.00 H new ATOM 0 HD13 LEU B 36 18.487 -1.541 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU B 36 18.518 0.143 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU B 36 17.468 0.482 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU B 36 18.562 1.743 -1.976 1.00 0.00 H new ATOM 2156 N SER B 37 19.050 1.692 3.183 1.00 0.00 N ATOM 2157 CA SER B 37 19.493 1.779 4.560 1.00 0.00 C ATOM 2158 C SER B 37 18.332 1.628 5.536 1.00 0.00 C ATOM 2159 O SER B 37 18.390 0.823 6.466 1.00 0.00 O ATOM 2160 CB SER B 37 20.216 3.103 4.807 1.00 0.00 C ATOM 2161 OG SER B 37 19.410 4.204 4.422 1.00 0.00 O ATOM 0 H SER B 37 19.177 2.548 2.642 1.00 0.00 H new ATOM 0 HA SER B 37 20.186 0.955 4.733 1.00 0.00 H new ATOM 0 HB2 SER B 37 20.474 3.189 5.863 1.00 0.00 H new ATOM 0 HB3 SER B 37 21.151 3.120 4.248 1.00 0.00 H new ATOM 0 HG SER B 37 19.894 5.039 4.591 1.00 0.00 H new ATOM 2167 N PHE B 38 17.279 2.409 5.325 1.00 0.00 N ATOM 2168 CA PHE B 38 16.109 2.361 6.193 1.00 0.00 C ATOM 2169 C PHE B 38 15.511 0.958 6.227 1.00 0.00 C ATOM 2170 O PHE B 38 15.281 0.400 7.300 1.00 0.00 O ATOM 2171 CB PHE B 38 15.062 3.376 5.733 1.00 0.00 C ATOM 2172 CG PHE B 38 15.217 4.720 6.384 1.00 0.00 C ATOM 2173 CD1 PHE B 38 15.117 4.853 7.759 1.00 0.00 C ATOM 2174 CD2 PHE B 38 15.464 5.851 5.621 1.00 0.00 C ATOM 2175 CE1 PHE B 38 15.260 6.088 8.362 1.00 0.00 C ATOM 2176 CE2 PHE B 38 15.606 7.089 6.218 1.00 0.00 C ATOM 2177 CZ PHE B 38 15.505 7.208 7.590 1.00 0.00 C ATOM 0 H PHE B 38 17.211 3.082 4.562 1.00 0.00 H new ATOM 0 HA PHE B 38 16.426 2.619 7.204 1.00 0.00 H new ATOM 0 HB2 PHE B 38 15.129 3.493 4.651 1.00 0.00 H new ATOM 0 HB3 PHE B 38 14.067 2.987 5.950 1.00 0.00 H new ATOM 0 HD1 PHE B 38 14.925 3.981 8.367 1.00 0.00 H new ATOM 0 HD2 PHE B 38 15.546 5.763 4.548 1.00 0.00 H new ATOM 0 HE1 PHE B 38 15.180 6.178 9.435 1.00 0.00 H new ATOM 0 HE2 PHE B 38 15.796 7.963 5.612 1.00 0.00 H new ATOM 0 HZ PHE B 38 15.617 8.174 8.059 1.00 0.00 H new ATOM 2187 N MET B 39 15.270 0.386 5.052 1.00 0.00 N ATOM 2188 CA MET B 39 14.711 -0.959 4.964 1.00 0.00 C ATOM 2189 C MET B 39 15.618 -1.962 5.671 1.00 0.00 C ATOM 2190 O MET B 39 15.161 -2.994 6.156 1.00 0.00 O ATOM 2191 CB MET B 39 14.521 -1.368 3.503 1.00 0.00 C ATOM 2192 CG MET B 39 13.948 -2.765 3.334 1.00 0.00 C ATOM 2193 SD MET B 39 12.681 -2.846 2.055 1.00 0.00 S ATOM 2194 CE MET B 39 11.310 -2.056 2.890 1.00 0.00 C ATOM 0 H MET B 39 15.452 0.830 4.152 1.00 0.00 H new ATOM 0 HA MET B 39 13.738 -0.956 5.456 1.00 0.00 H new ATOM 0 HB2 MET B 39 13.859 -0.651 3.016 1.00 0.00 H new ATOM 0 HB3 MET B 39 15.482 -1.314 2.991 1.00 0.00 H new ATOM 0 HG2 MET B 39 14.754 -3.456 3.086 1.00 0.00 H new ATOM 0 HG3 MET B 39 13.524 -3.097 4.282 1.00 0.00 H new ATOM 0 HE1 MET B 39 10.561 -1.757 2.157 1.00 0.00 H new ATOM 0 HE2 MET B 39 10.865 -2.754 3.599 1.00 0.00 H new ATOM 0 HE3 MET B 39 11.668 -1.175 3.424 1.00 0.00 H new ATOM 2204 N ASN B 40 16.907 -1.644 5.731 1.00 0.00 N ATOM 2205 CA ASN B 40 17.878 -2.508 6.388 1.00 0.00 C ATOM 2206 C ASN B 40 17.722 -2.443 7.905 1.00 0.00 C ATOM 2207 O ASN B 40 18.191 -3.323 8.625 1.00 0.00 O ATOM 2208 CB ASN B 40 19.301 -2.109 5.990 1.00 0.00 C ATOM 2209 CG ASN B 40 19.803 -2.881 4.786 1.00 0.00 C ATOM 2210 OD1 ASN B 40 19.773 -4.112 4.765 1.00 0.00 O ATOM 2211 ND2 ASN B 40 20.269 -2.160 3.772 1.00 0.00 N ATOM 0 H ASN B 40 17.303 -0.793 5.332 1.00 0.00 H new ATOM 0 HA ASN B 40 17.694 -3.533 6.065 1.00 0.00 H new ATOM 0 HB2 ASN B 40 19.328 -1.042 5.771 1.00 0.00 H new ATOM 0 HB3 ASN B 40 19.972 -2.279 6.832 1.00 0.00 H new ATOM 0 HD21 ASN B 40 20.620 -2.625 2.935 1.00 0.00 H new ATOM 0 HD22 ASN B 40 20.276 -1.142 3.831 1.00 0.00 H new ATOM 2218 N THR B 41 17.073 -1.384 8.383 1.00 0.00 N ATOM 2219 CA THR B 41 16.866 -1.193 9.813 1.00 0.00 C ATOM 2220 C THR B 41 15.389 -1.308 10.187 1.00 0.00 C ATOM 2221 O THR B 41 14.941 -2.339 10.687 1.00 0.00 O ATOM 2222 CB THR B 41 17.397 0.179 10.233 1.00 0.00 C ATOM 2223 OG1 THR B 41 17.241 1.118 9.183 1.00 0.00 O ATOM 2224 CG2 THR B 41 18.857 0.164 10.618 1.00 0.00 C ATOM 0 H THR B 41 16.682 -0.645 7.799 1.00 0.00 H new ATOM 0 HA THR B 41 17.409 -1.978 10.338 1.00 0.00 H new ATOM 0 HB THR B 41 16.811 0.460 11.108 1.00 0.00 H new ATOM 0 HG1 THR B 41 16.558 0.798 8.557 1.00 0.00 H new ATOM 0 HG21 THR B 41 19.168 1.169 10.905 1.00 0.00 H new ATOM 0 HG22 THR B 41 19.005 -0.515 11.458 1.00 0.00 H new ATOM 0 HG23 THR B 41 19.453 -0.172 9.770 1.00 0.00 H new ATOM 2232 N GLU B 42 14.647 -0.230 9.954 1.00 0.00 N ATOM 2233 CA GLU B 42 13.220 -0.181 10.277 1.00 0.00 C ATOM 2234 C GLU B 42 12.457 -1.371 9.696 1.00 0.00 C ATOM 2235 O GLU B 42 11.650 -1.996 10.384 1.00 0.00 O ATOM 2236 CB GLU B 42 12.612 1.124 9.764 1.00 0.00 C ATOM 2237 CG GLU B 42 13.331 2.367 10.261 1.00 0.00 C ATOM 2238 CD GLU B 42 12.524 3.140 11.286 1.00 0.00 C ATOM 2239 OE1 GLU B 42 12.238 2.576 12.363 1.00 0.00 O ATOM 2240 OE2 GLU B 42 12.178 4.308 11.012 1.00 0.00 O ATOM 0 H GLU B 42 15.011 0.628 9.540 1.00 0.00 H new ATOM 0 HA GLU B 42 13.130 -0.229 11.362 1.00 0.00 H new ATOM 0 HB2 GLU B 42 12.626 1.118 8.674 1.00 0.00 H new ATOM 0 HB3 GLU B 42 11.567 1.173 10.069 1.00 0.00 H new ATOM 0 HG2 GLU B 42 14.286 2.078 10.700 1.00 0.00 H new ATOM 0 HG3 GLU B 42 13.552 3.017 9.414 1.00 0.00 H new ATOM 2247 N LEU B 43 12.710 -1.676 8.429 1.00 0.00 N ATOM 2248 CA LEU B 43 12.042 -2.784 7.760 1.00 0.00 C ATOM 2249 C LEU B 43 13.031 -3.902 7.477 1.00 0.00 C ATOM 2250 O LEU B 43 12.984 -4.547 6.429 1.00 0.00 O ATOM 2251 CB LEU B 43 11.391 -2.302 6.459 1.00 0.00 C ATOM 2252 CG LEU B 43 9.887 -2.051 6.553 1.00 0.00 C ATOM 2253 CD1 LEU B 43 9.318 -1.663 5.198 1.00 0.00 C ATOM 2254 CD2 LEU B 43 9.186 -3.283 7.099 1.00 0.00 C ATOM 0 H LEU B 43 13.375 -1.170 7.844 1.00 0.00 H new ATOM 0 HA LEU B 43 11.262 -3.171 8.416 1.00 0.00 H new ATOM 0 HB2 LEU B 43 11.880 -1.381 6.143 1.00 0.00 H new ATOM 0 HB3 LEU B 43 11.574 -3.043 5.681 1.00 0.00 H new ATOM 0 HG LEU B 43 9.716 -1.220 7.238 1.00 0.00 H new ATOM 0 HD11 LEU B 43 8.246 -1.489 5.290 1.00 0.00 H new ATOM 0 HD12 LEU B 43 9.804 -0.753 4.846 1.00 0.00 H new ATOM 0 HD13 LEU B 43 9.495 -2.468 4.485 1.00 0.00 H new ATOM 0 HD21 LEU B 43 8.114 -3.094 7.162 1.00 0.00 H new ATOM 0 HD22 LEU B 43 9.367 -4.129 6.435 1.00 0.00 H new ATOM 0 HD23 LEU B 43 9.573 -3.512 8.092 1.00 0.00 H new ATOM 2266 N ALA B 44 13.929 -4.122 8.425 1.00 0.00 N ATOM 2267 CA ALA B 44 14.941 -5.155 8.299 1.00 0.00 C ATOM 2268 C ALA B 44 14.342 -6.531 8.542 1.00 0.00 C ATOM 2269 O ALA B 44 14.793 -7.526 7.976 1.00 0.00 O ATOM 2270 CB ALA B 44 16.075 -4.881 9.271 1.00 0.00 C ATOM 0 H ALA B 44 13.976 -3.593 9.296 1.00 0.00 H new ATOM 0 HA ALA B 44 15.336 -5.140 7.283 1.00 0.00 H new ATOM 0 HB1 ALA B 44 16.833 -5.658 9.174 1.00 0.00 H new ATOM 0 HB2 ALA B 44 16.519 -3.911 9.048 1.00 0.00 H new ATOM 0 HB3 ALA B 44 15.688 -4.877 10.290 1.00 0.00 H new ATOM 2276 N ALA B 45 13.313 -6.579 9.380 1.00 0.00 N ATOM 2277 CA ALA B 45 12.637 -7.829 9.696 1.00 0.00 C ATOM 2278 C ALA B 45 12.196 -8.549 8.424 1.00 0.00 C ATOM 2279 O ALA B 45 12.040 -9.771 8.412 1.00 0.00 O ATOM 2280 CB ALA B 45 11.444 -7.560 10.601 1.00 0.00 C ATOM 0 H ALA B 45 12.928 -5.762 9.854 1.00 0.00 H new ATOM 0 HA ALA B 45 13.338 -8.478 10.220 1.00 0.00 H new ATOM 0 HB1 ALA B 45 10.944 -8.500 10.833 1.00 0.00 H new ATOM 0 HB2 ALA B 45 11.786 -7.094 11.525 1.00 0.00 H new ATOM 0 HB3 ALA B 45 10.746 -6.893 10.095 1.00 0.00 H new ATOM 2286 N PHE B 46 11.999 -7.783 7.354 1.00 0.00 N ATOM 2287 CA PHE B 46 11.579 -8.345 6.076 1.00 0.00 C ATOM 2288 C PHE B 46 12.711 -8.283 5.052 1.00 0.00 C ATOM 2289 O PHE B 46 12.469 -8.289 3.845 1.00 0.00 O ATOM 2290 CB PHE B 46 10.358 -7.591 5.546 1.00 0.00 C ATOM 2291 CG PHE B 46 9.051 -8.153 6.025 1.00 0.00 C ATOM 2292 CD1 PHE B 46 8.834 -8.388 7.373 1.00 0.00 C ATOM 2293 CD2 PHE B 46 8.037 -8.449 5.127 1.00 0.00 C ATOM 2294 CE1 PHE B 46 7.632 -8.905 7.817 1.00 0.00 C ATOM 2295 CE2 PHE B 46 6.833 -8.966 5.564 1.00 0.00 C ATOM 2296 CZ PHE B 46 6.630 -9.194 6.911 1.00 0.00 C ATOM 0 H PHE B 46 12.124 -6.771 7.348 1.00 0.00 H new ATOM 0 HA PHE B 46 11.316 -9.391 6.235 1.00 0.00 H new ATOM 0 HB2 PHE B 46 10.427 -6.546 5.848 1.00 0.00 H new ATOM 0 HB3 PHE B 46 10.375 -7.610 4.456 1.00 0.00 H new ATOM 0 HD1 PHE B 46 9.614 -8.164 8.086 1.00 0.00 H new ATOM 0 HD2 PHE B 46 8.190 -8.273 4.073 1.00 0.00 H new ATOM 0 HE1 PHE B 46 7.476 -9.083 8.871 1.00 0.00 H new ATOM 0 HE2 PHE B 46 6.052 -9.192 4.853 1.00 0.00 H new ATOM 0 HZ PHE B 46 5.689 -9.598 7.255 1.00 0.00 H new ATOM 2306 N THR B 47 13.948 -8.225 5.540 1.00 0.00 N ATOM 2307 CA THR B 47 15.115 -8.162 4.663 1.00 0.00 C ATOM 2308 C THR B 47 16.405 -8.109 5.476 1.00 0.00 C ATOM 2309 O THR B 47 17.338 -7.384 5.131 1.00 0.00 O ATOM 2310 CB THR B 47 15.025 -6.940 3.747 1.00 0.00 C ATOM 2311 OG1 THR B 47 16.210 -6.799 2.982 1.00 0.00 O ATOM 2312 CG2 THR B 47 14.805 -5.644 4.495 1.00 0.00 C ATOM 0 H THR B 47 14.168 -8.220 6.536 1.00 0.00 H new ATOM 0 HA THR B 47 15.129 -9.065 4.053 1.00 0.00 H new ATOM 0 HB THR B 47 14.161 -7.122 3.108 1.00 0.00 H new ATOM 0 HG1 THR B 47 16.978 -6.702 3.583 1.00 0.00 H new ATOM 0 HG21 THR B 47 14.751 -4.819 3.785 1.00 0.00 H new ATOM 0 HG22 THR B 47 13.872 -5.702 5.056 1.00 0.00 H new ATOM 0 HG23 THR B 47 15.633 -5.476 5.184 1.00 0.00 H new ATOM 2428 N VAL B 55 13.894 -10.491 -1.791 1.00 0.00 N ATOM 2429 CA VAL B 55 12.624 -9.819 -1.542 1.00 0.00 C ATOM 2430 C VAL B 55 12.766 -8.303 -1.662 1.00 0.00 C ATOM 2431 O VAL B 55 12.020 -7.658 -2.399 1.00 0.00 O ATOM 2432 CB VAL B 55 12.073 -10.168 -0.143 1.00 0.00 C ATOM 2433 CG1 VAL B 55 10.788 -9.403 0.140 1.00 0.00 C ATOM 2434 CG2 VAL B 55 11.847 -11.668 -0.020 1.00 0.00 C ATOM 0 HA VAL B 55 11.924 -10.171 -2.300 1.00 0.00 H new ATOM 0 HB VAL B 55 12.812 -9.869 0.600 1.00 0.00 H new ATOM 0 HG11 VAL B 55 10.419 -9.666 1.131 1.00 0.00 H new ATOM 0 HG12 VAL B 55 10.986 -8.332 0.098 1.00 0.00 H new ATOM 0 HG13 VAL B 55 10.038 -9.663 -0.607 1.00 0.00 H new ATOM 0 HG21 VAL B 55 11.458 -11.897 0.972 1.00 0.00 H new ATOM 0 HG22 VAL B 55 11.129 -11.991 -0.774 1.00 0.00 H new ATOM 0 HG23 VAL B 55 12.791 -12.192 -0.170 1.00 0.00 H new ATOM 2444 N LEU B 56 13.722 -7.741 -0.932 1.00 0.00 N ATOM 2445 CA LEU B 56 13.957 -6.308 -0.954 1.00 0.00 C ATOM 2446 C LEU B 56 14.484 -5.870 -2.317 1.00 0.00 C ATOM 2447 O LEU B 56 13.947 -4.958 -2.943 1.00 0.00 O ATOM 2448 CB LEU B 56 14.965 -5.947 0.140 1.00 0.00 C ATOM 2449 CG LEU B 56 15.842 -4.737 -0.160 1.00 0.00 C ATOM 2450 CD1 LEU B 56 16.173 -3.988 1.117 1.00 0.00 C ATOM 2451 CD2 LEU B 56 17.114 -5.157 -0.884 1.00 0.00 C ATOM 0 H LEU B 56 14.348 -8.261 -0.316 1.00 0.00 H new ATOM 0 HA LEU B 56 13.016 -5.790 -0.771 1.00 0.00 H new ATOM 0 HB2 LEU B 56 14.421 -5.761 1.066 1.00 0.00 H new ATOM 0 HB3 LEU B 56 15.610 -6.808 0.317 1.00 0.00 H new ATOM 0 HG LEU B 56 15.286 -4.067 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU B 56 16.800 -3.128 0.882 1.00 0.00 H new ATOM 0 HD12 LEU B 56 15.251 -3.648 1.588 1.00 0.00 H new ATOM 0 HD13 LEU B 56 16.706 -4.650 1.799 1.00 0.00 H new ATOM 0 HD21 LEU B 56 17.724 -4.277 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU B 56 17.676 -5.851 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU B 56 16.854 -5.644 -1.824 1.00 0.00 H new ATOM 2463 N ASP B 57 15.536 -6.535 -2.768 1.00 0.00 N ATOM 2464 CA ASP B 57 16.144 -6.228 -4.054 1.00 0.00 C ATOM 2465 C ASP B 57 15.130 -6.390 -5.181 1.00 0.00 C ATOM 2466 O ASP B 57 15.237 -5.748 -6.226 1.00 0.00 O ATOM 2467 CB ASP B 57 17.349 -7.136 -4.296 1.00 0.00 C ATOM 2468 CG ASP B 57 18.451 -6.442 -5.075 1.00 0.00 C ATOM 2469 OD1 ASP B 57 18.675 -5.236 -4.839 1.00 0.00 O ATOM 2470 OD2 ASP B 57 19.088 -7.105 -5.919 1.00 0.00 O ATOM 0 H ASP B 57 15.989 -7.295 -2.260 1.00 0.00 H new ATOM 0 HA ASP B 57 16.479 -5.191 -4.038 1.00 0.00 H new ATOM 0 HB2 ASP B 57 17.743 -7.474 -3.338 1.00 0.00 H new ATOM 0 HB3 ASP B 57 17.027 -8.024 -4.840 1.00 0.00 H new ATOM 2475 N ARG B 58 14.144 -7.254 -4.958 1.00 0.00 N ATOM 2476 CA ARG B 58 13.107 -7.505 -5.949 1.00 0.00 C ATOM 2477 C ARG B 58 12.267 -6.256 -6.191 1.00 0.00 C ATOM 2478 O ARG B 58 11.944 -5.928 -7.331 1.00 0.00 O ATOM 2479 CB ARG B 58 12.206 -8.656 -5.497 1.00 0.00 C ATOM 2480 CG ARG B 58 12.605 -10.004 -6.077 1.00 0.00 C ATOM 2481 CD ARG B 58 12.343 -10.064 -7.573 1.00 0.00 C ATOM 2482 NE ARG B 58 13.022 -11.194 -8.203 1.00 0.00 N ATOM 2483 CZ ARG B 58 12.563 -12.443 -8.176 1.00 0.00 C ATOM 2484 NH1 ARG B 58 11.429 -12.729 -7.550 1.00 0.00 N ATOM 2485 NH2 ARG B 58 13.242 -13.411 -8.778 1.00 0.00 N ATOM 0 H ARG B 58 14.043 -7.792 -4.097 1.00 0.00 H new ATOM 0 HA ARG B 58 13.596 -7.779 -6.884 1.00 0.00 H new ATOM 0 HB2 ARG B 58 12.227 -8.717 -4.409 1.00 0.00 H new ATOM 0 HB3 ARG B 58 11.178 -8.436 -5.784 1.00 0.00 H new ATOM 0 HG2 ARG B 58 13.662 -10.186 -5.884 1.00 0.00 H new ATOM 0 HG3 ARG B 58 12.048 -10.796 -5.577 1.00 0.00 H new ATOM 0 HD2 ARG B 58 11.270 -10.141 -7.750 1.00 0.00 H new ATOM 0 HD3 ARG B 58 12.677 -9.136 -8.037 1.00 0.00 H new ATOM 0 HE ARG B 58 13.899 -11.015 -8.692 1.00 0.00 H new ATOM 0 HH11 ARG B 58 10.903 -11.989 -7.085 1.00 0.00 H new ATOM 0 HH12 ARG B 58 11.084 -13.689 -7.534 1.00 0.00 H new ATOM 0 HH21 ARG B 58 14.115 -13.198 -9.261 1.00 0.00 H new ATOM 0 HH22 ARG B 58 12.891 -14.369 -8.758 1.00 0.00 H new ATOM 2498 N MET B 59 11.907 -5.565 -5.113 1.00 0.00 N ATOM 2499 CA MET B 59 11.093 -4.363 -5.220 1.00 0.00 C ATOM 2500 C MET B 59 11.792 -3.288 -6.043 1.00 0.00 C ATOM 2501 O MET B 59 11.218 -2.737 -6.982 1.00 0.00 O ATOM 2502 CB MET B 59 10.753 -3.834 -3.813 1.00 0.00 C ATOM 2503 CG MET B 59 11.434 -2.517 -3.424 1.00 0.00 C ATOM 2504 SD MET B 59 12.504 -2.677 -1.988 1.00 0.00 S ATOM 2505 CE MET B 59 11.293 -3.175 -0.779 1.00 0.00 C ATOM 0 H MET B 59 12.166 -5.817 -4.159 1.00 0.00 H new ATOM 0 HA MET B 59 10.169 -4.621 -5.737 1.00 0.00 H new ATOM 0 HB2 MET B 59 9.674 -3.699 -3.745 1.00 0.00 H new ATOM 0 HB3 MET B 59 11.026 -4.595 -3.081 1.00 0.00 H new ATOM 0 HG2 MET B 59 12.020 -2.154 -4.268 1.00 0.00 H new ATOM 0 HG3 MET B 59 10.671 -1.766 -3.220 1.00 0.00 H new ATOM 0 HE1 MET B 59 11.729 -3.919 -0.113 1.00 0.00 H new ATOM 0 HE2 MET B 59 10.980 -2.307 -0.199 1.00 0.00 H new ATOM 0 HE3 MET B 59 10.428 -3.604 -1.285 1.00 0.00 H new ATOM 2515 N MET B 60 13.021 -2.967 -5.656 1.00 0.00 N ATOM 2516 CA MET B 60 13.783 -1.928 -6.322 1.00 0.00 C ATOM 2517 C MET B 60 14.284 -2.375 -7.691 1.00 0.00 C ATOM 2518 O MET B 60 14.394 -1.562 -8.607 1.00 0.00 O ATOM 2519 CB MET B 60 14.933 -1.479 -5.425 1.00 0.00 C ATOM 2520 CG MET B 60 14.471 -0.618 -4.252 1.00 0.00 C ATOM 2521 SD MET B 60 15.033 1.088 -4.384 1.00 0.00 S ATOM 2522 CE MET B 60 14.609 1.435 -6.088 1.00 0.00 C ATOM 0 H MET B 60 13.509 -3.416 -4.881 1.00 0.00 H new ATOM 0 HA MET B 60 13.122 -1.079 -6.499 1.00 0.00 H new ATOM 0 HB2 MET B 60 15.452 -2.357 -5.042 1.00 0.00 H new ATOM 0 HB3 MET B 60 15.653 -0.917 -6.020 1.00 0.00 H new ATOM 0 HG2 MET B 60 13.382 -0.635 -4.200 1.00 0.00 H new ATOM 0 HG3 MET B 60 14.842 -1.048 -3.322 1.00 0.00 H new ATOM 0 HE1 MET B 60 14.194 2.440 -6.162 1.00 0.00 H new ATOM 0 HE2 MET B 60 15.503 1.365 -6.707 1.00 0.00 H new ATOM 0 HE3 MET B 60 13.871 0.711 -6.434 1.00 0.00 H new ATOM 2670 N GLN B 70 13.152 11.211 -8.510 1.00 0.00 N ATOM 2671 CA GLN B 70 13.208 10.653 -7.166 1.00 0.00 C ATOM 2672 C GLN B 70 12.260 9.465 -7.026 1.00 0.00 C ATOM 2673 O GLN B 70 11.713 8.981 -8.017 1.00 0.00 O ATOM 2674 CB GLN B 70 12.860 11.732 -6.139 1.00 0.00 C ATOM 2675 CG GLN B 70 14.057 12.551 -5.687 1.00 0.00 C ATOM 2676 CD GLN B 70 14.858 11.854 -4.607 1.00 0.00 C ATOM 2677 OE1 GLN B 70 15.423 10.699 -4.941 1.00 0.00 O flip ATOM 2678 NE2 GLN B 70 14.972 12.350 -3.486 1.00 0.00 N flip ATOM 0 HA GLN B 70 14.222 10.298 -6.983 1.00 0.00 H new ATOM 0 HB2 GLN B 70 12.113 12.401 -6.566 1.00 0.00 H new ATOM 0 HB3 GLN B 70 12.404 11.260 -5.269 1.00 0.00 H new ATOM 0 HG2 GLN B 70 14.702 12.750 -6.543 1.00 0.00 H new ATOM 0 HG3 GLN B 70 13.714 13.517 -5.315 1.00 0.00 H new ATOM 0 HE21 GLN B 70 14.520 13.240 -3.274 1.00 0.00 H new ATOM 0 HE22 GLN B 70 15.518 11.871 -2.770 1.00 0.00 H new ATOM 2687 N LEU B 71 12.071 8.998 -5.791 1.00 0.00 N ATOM 2688 CA LEU B 71 11.187 7.871 -5.525 1.00 0.00 C ATOM 2689 C LEU B 71 9.749 8.222 -5.956 1.00 0.00 C ATOM 2690 O LEU B 71 9.555 8.688 -7.077 1.00 0.00 O ATOM 2691 CB LEU B 71 11.288 7.480 -4.036 1.00 0.00 C ATOM 2692 CG LEU B 71 12.021 6.167 -3.712 1.00 0.00 C ATOM 2693 CD1 LEU B 71 11.026 5.059 -3.393 1.00 0.00 C ATOM 2694 CD2 LEU B 71 12.951 5.747 -4.843 1.00 0.00 C ATOM 0 H LEU B 71 12.520 9.386 -4.961 1.00 0.00 H new ATOM 0 HA LEU B 71 11.490 7.002 -6.109 1.00 0.00 H new ATOM 0 HB2 LEU B 71 11.790 8.289 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU B 71 10.277 7.413 -3.633 1.00 0.00 H new ATOM 0 HG LEU B 71 12.637 6.344 -2.830 1.00 0.00 H new ATOM 0 HD11 LEU B 71 11.566 4.139 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU B 71 10.424 5.348 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU B 71 10.375 4.896 -4.252 1.00 0.00 H new ATOM 0 HD21 LEU B 71 13.450 4.816 -4.576 1.00 0.00 H new ATOM 0 HD22 LEU B 71 12.372 5.600 -5.755 1.00 0.00 H new ATOM 0 HD23 LEU B 71 13.697 6.524 -5.008 1.00 0.00 H new ATOM 2706 N ASP B 72 8.743 8.020 -5.091 1.00 0.00 N ATOM 2707 CA ASP B 72 7.355 8.345 -5.445 1.00 0.00 C ATOM 2708 C ASP B 72 6.372 7.736 -4.448 1.00 0.00 C ATOM 2709 O ASP B 72 6.700 6.796 -3.725 1.00 0.00 O ATOM 2710 CB ASP B 72 7.018 7.869 -6.866 1.00 0.00 C ATOM 2711 CG ASP B 72 5.549 8.035 -7.211 1.00 0.00 C ATOM 2712 OD1 ASP B 72 4.768 7.095 -6.953 1.00 0.00 O ATOM 2713 OD2 ASP B 72 5.181 9.106 -7.739 1.00 0.00 O ATOM 0 H ASP B 72 8.863 7.638 -4.153 1.00 0.00 H new ATOM 0 HA ASP B 72 7.260 9.430 -5.409 1.00 0.00 H new ATOM 0 HB2 ASP B 72 7.620 8.427 -7.583 1.00 0.00 H new ATOM 0 HB3 ASP B 72 7.294 6.819 -6.967 1.00 0.00 H new ATOM 2718 N PHE B 73 5.166 8.295 -4.416 1.00 0.00 N ATOM 2719 CA PHE B 73 4.118 7.842 -3.506 1.00 0.00 C ATOM 2720 C PHE B 73 3.902 6.326 -3.551 1.00 0.00 C ATOM 2721 O PHE B 73 4.023 5.655 -2.525 1.00 0.00 O ATOM 2722 CB PHE B 73 2.808 8.573 -3.801 1.00 0.00 C ATOM 2723 CG PHE B 73 2.155 8.166 -5.090 1.00 0.00 C ATOM 2724 CD1 PHE B 73 2.619 8.650 -6.302 1.00 0.00 C ATOM 2725 CD2 PHE B 73 1.080 7.294 -5.087 1.00 0.00 C ATOM 2726 CE1 PHE B 73 2.019 8.273 -7.489 1.00 0.00 C ATOM 2727 CE2 PHE B 73 0.476 6.913 -6.269 1.00 0.00 C ATOM 2728 CZ PHE B 73 0.946 7.403 -7.473 1.00 0.00 C ATOM 0 H PHE B 73 4.888 9.071 -5.017 1.00 0.00 H new ATOM 0 HA PHE B 73 4.452 8.082 -2.497 1.00 0.00 H new ATOM 0 HB2 PHE B 73 2.112 8.394 -2.981 1.00 0.00 H new ATOM 0 HB3 PHE B 73 3.001 9.645 -3.827 1.00 0.00 H new ATOM 0 HD1 PHE B 73 3.459 9.329 -6.320 1.00 0.00 H new ATOM 0 HD2 PHE B 73 0.709 6.907 -4.149 1.00 0.00 H new ATOM 0 HE1 PHE B 73 2.389 8.658 -8.428 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -0.363 6.233 -6.253 1.00 0.00 H new ATOM 0 HZ PHE B 73 0.476 7.106 -8.399 1.00 0.00 H new ATOM 2738 N GLN B 74 3.570 5.779 -4.722 1.00 0.00 N ATOM 2739 CA GLN B 74 3.335 4.344 -4.825 1.00 0.00 C ATOM 2740 C GLN B 74 4.638 3.572 -4.838 1.00 0.00 C ATOM 2741 O GLN B 74 4.678 2.432 -4.388 1.00 0.00 O ATOM 2742 CB GLN B 74 2.513 3.981 -6.063 1.00 0.00 C ATOM 2743 CG GLN B 74 2.227 2.484 -6.179 1.00 0.00 C ATOM 2744 CD GLN B 74 1.808 1.853 -4.857 1.00 0.00 C ATOM 2745 OE1 GLN B 74 2.333 0.661 -4.559 1.00 0.00 O flip ATOM 2746 NE2 GLN B 74 1.018 2.431 -4.110 1.00 0.00 N flip ATOM 0 H GLN B 74 3.460 6.298 -5.593 1.00 0.00 H new ATOM 0 HA GLN B 74 2.762 4.063 -3.941 1.00 0.00 H new ATOM 0 HB2 GLN B 74 1.568 4.524 -6.036 1.00 0.00 H new ATOM 0 HB3 GLN B 74 3.045 4.313 -6.955 1.00 0.00 H new ATOM 0 HG2 GLN B 74 1.440 2.326 -6.916 1.00 0.00 H new ATOM 0 HG3 GLN B 74 3.118 1.977 -6.551 1.00 0.00 H new ATOM 0 HE21 GLN B 74 0.639 3.341 -4.374 1.00 0.00 H new ATOM 0 HE22 GLN B 74 0.742 2.000 -3.227 1.00 0.00 H new ATOM 2755 N GLU B 75 5.709 4.182 -5.344 1.00 0.00 N ATOM 2756 CA GLU B 75 6.998 3.505 -5.379 1.00 0.00 C ATOM 2757 C GLU B 75 7.252 2.825 -4.049 1.00 0.00 C ATOM 2758 O GLU B 75 7.585 1.650 -3.998 1.00 0.00 O ATOM 2759 CB GLU B 75 8.139 4.475 -5.691 1.00 0.00 C ATOM 2760 CG GLU B 75 8.819 4.192 -7.020 1.00 0.00 C ATOM 2761 CD GLU B 75 9.130 5.452 -7.806 1.00 0.00 C ATOM 2762 OE1 GLU B 75 10.202 6.047 -7.572 1.00 0.00 O ATOM 2763 OE2 GLU B 75 8.303 5.839 -8.657 1.00 0.00 O ATOM 0 H GLU B 75 5.709 5.127 -5.728 1.00 0.00 H new ATOM 0 HA GLU B 75 6.966 2.762 -6.176 1.00 0.00 H new ATOM 0 HB2 GLU B 75 7.750 5.493 -5.699 1.00 0.00 H new ATOM 0 HB3 GLU B 75 8.880 4.423 -4.893 1.00 0.00 H new ATOM 0 HG2 GLU B 75 9.744 3.645 -6.839 1.00 0.00 H new ATOM 0 HG3 GLU B 75 8.178 3.545 -7.619 1.00 0.00 H new ATOM 2770 N PHE B 76 7.068 3.564 -2.964 1.00 0.00 N ATOM 2771 CA PHE B 76 7.273 2.990 -1.648 1.00 0.00 C ATOM 2772 C PHE B 76 6.254 1.889 -1.378 1.00 0.00 C ATOM 2773 O PHE B 76 6.620 0.758 -1.059 1.00 0.00 O ATOM 2774 CB PHE B 76 7.162 4.036 -0.535 1.00 0.00 C ATOM 2775 CG PHE B 76 7.303 5.475 -0.946 1.00 0.00 C ATOM 2776 CD1 PHE B 76 8.485 5.953 -1.477 1.00 0.00 C ATOM 2777 CD2 PHE B 76 6.250 6.357 -0.759 1.00 0.00 C ATOM 2778 CE1 PHE B 76 8.615 7.285 -1.818 1.00 0.00 C ATOM 2779 CE2 PHE B 76 6.374 7.689 -1.102 1.00 0.00 C ATOM 2780 CZ PHE B 76 7.559 8.154 -1.631 1.00 0.00 C ATOM 0 H PHE B 76 6.783 4.543 -2.970 1.00 0.00 H new ATOM 0 HA PHE B 76 8.284 2.582 -1.644 1.00 0.00 H new ATOM 0 HB2 PHE B 76 6.194 3.914 -0.048 1.00 0.00 H new ATOM 0 HB3 PHE B 76 7.924 3.819 0.213 1.00 0.00 H new ATOM 0 HD1 PHE B 76 9.315 5.279 -1.627 1.00 0.00 H new ATOM 0 HD2 PHE B 76 5.321 5.998 -0.340 1.00 0.00 H new ATOM 0 HE1 PHE B 76 9.545 7.647 -2.232 1.00 0.00 H new ATOM 0 HE2 PHE B 76 5.544 8.365 -0.956 1.00 0.00 H new ATOM 0 HZ PHE B 76 7.661 9.195 -1.898 1.00 0.00 H new ATOM 2790 N LEU B 77 4.970 2.223 -1.511 1.00 0.00 N ATOM 2791 CA LEU B 77 3.908 1.252 -1.282 1.00 0.00 C ATOM 2792 C LEU B 77 4.141 0.014 -2.135 1.00 0.00 C ATOM 2793 O LEU B 77 3.860 -1.108 -1.718 1.00 0.00 O ATOM 2794 CB LEU B 77 2.545 1.875 -1.577 1.00 0.00 C ATOM 2795 CG LEU B 77 1.856 2.473 -0.353 1.00 0.00 C ATOM 2796 CD1 LEU B 77 0.796 3.482 -0.760 1.00 0.00 C ATOM 2797 CD2 LEU B 77 1.261 1.369 0.500 1.00 0.00 C ATOM 0 H LEU B 77 4.645 3.153 -1.775 1.00 0.00 H new ATOM 0 HA LEU B 77 3.920 0.952 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU B 77 2.669 2.655 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU B 77 1.896 1.114 -2.011 1.00 0.00 H new ATOM 0 HG LEU B 77 2.601 3.004 0.239 1.00 0.00 H new ATOM 0 HD11 LEU B 77 0.322 3.891 0.132 1.00 0.00 H new ATOM 0 HD12 LEU B 77 1.260 4.289 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU B 77 0.044 2.991 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.772 1.806 1.371 1.00 0.00 H new ATOM 0 HD22 LEU B 77 0.530 0.811 -0.085 1.00 0.00 H new ATOM 0 HD23 LEU B 77 2.053 0.696 0.828 1.00 0.00 H new ATOM 2809 N ASN B 78 4.696 0.234 -3.318 1.00 0.00 N ATOM 2810 CA ASN B 78 5.023 -0.852 -4.226 1.00 0.00 C ATOM 2811 C ASN B 78 6.281 -1.549 -3.726 1.00 0.00 C ATOM 2812 O ASN B 78 6.453 -2.755 -3.906 1.00 0.00 O ATOM 2813 CB ASN B 78 5.229 -0.318 -5.656 1.00 0.00 C ATOM 2814 CG ASN B 78 6.384 -0.979 -6.387 1.00 0.00 C ATOM 2815 OD1 ASN B 78 7.389 -0.187 -6.743 1.00 0.00 O flip ATOM 2816 ND2 ASN B 78 6.374 -2.187 -6.627 1.00 0.00 N flip ATOM 0 H ASN B 78 4.930 1.162 -3.672 1.00 0.00 H new ATOM 0 HA ASN B 78 4.199 -1.565 -4.254 1.00 0.00 H new ATOM 0 HB2 ASN B 78 4.313 -0.469 -6.228 1.00 0.00 H new ATOM 0 HB3 ASN B 78 5.404 0.757 -5.613 1.00 0.00 H new ATOM 0 HD21 ASN B 78 5.581 -2.758 -6.335 1.00 0.00 H new ATOM 0 HD22 ASN B 78 7.159 -2.616 -7.117 1.00 0.00 H new ATOM 2823 N LEU B 79 7.159 -0.773 -3.090 1.00 0.00 N ATOM 2824 CA LEU B 79 8.396 -1.314 -2.560 1.00 0.00 C ATOM 2825 C LEU B 79 8.102 -2.208 -1.362 1.00 0.00 C ATOM 2826 O LEU B 79 8.422 -3.392 -1.378 1.00 0.00 O ATOM 2827 CB LEU B 79 9.371 -0.188 -2.185 1.00 0.00 C ATOM 2828 CG LEU B 79 9.981 0.586 -3.372 1.00 0.00 C ATOM 2829 CD1 LEU B 79 11.493 0.546 -3.361 1.00 0.00 C ATOM 2830 CD2 LEU B 79 9.464 0.074 -4.705 1.00 0.00 C ATOM 0 H LEU B 79 7.031 0.227 -2.933 1.00 0.00 H new ATOM 0 HA LEU B 79 8.873 -1.917 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU B 79 8.850 0.521 -1.541 1.00 0.00 H new ATOM 0 HB3 LEU B 79 10.183 -0.615 -1.597 1.00 0.00 H new ATOM 0 HG LEU B 79 9.665 1.622 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU B 79 11.878 1.104 -4.215 1.00 0.00 H new ATOM 0 HD12 LEU B 79 11.862 0.994 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU B 79 11.830 -0.489 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU B 79 9.918 0.645 -5.515 1.00 0.00 H new ATOM 0 HD22 LEU B 79 9.722 -0.979 -4.815 1.00 0.00 H new ATOM 0 HD23 LEU B 79 8.381 0.188 -4.743 1.00 0.00 H new ATOM 2842 N ILE B 80 7.453 -1.651 -0.340 1.00 0.00 N ATOM 2843 CA ILE B 80 7.094 -2.430 0.839 1.00 0.00 C ATOM 2844 C ILE B 80 5.944 -3.375 0.520 1.00 0.00 C ATOM 2845 O ILE B 80 5.961 -4.540 0.913 1.00 0.00 O ATOM 2846 CB ILE B 80 6.728 -1.555 2.058 1.00 0.00 C ATOM 2847 CG1 ILE B 80 6.752 -2.402 3.330 1.00 0.00 C ATOM 2848 CG2 ILE B 80 5.363 -0.923 1.889 1.00 0.00 C ATOM 2849 CD1 ILE B 80 5.506 -3.247 3.523 1.00 0.00 C ATOM 0 H ILE B 80 7.168 -0.672 -0.306 1.00 0.00 H new ATOM 0 HA ILE B 80 7.982 -3.001 1.111 1.00 0.00 H new ATOM 0 HB ILE B 80 7.465 -0.756 2.136 1.00 0.00 H new ATOM 0 HG12 ILE B 80 7.624 -3.056 3.304 1.00 0.00 H new ATOM 0 HG13 ILE B 80 6.872 -1.745 4.191 1.00 0.00 H new ATOM 0 HG21 ILE B 80 5.134 -0.313 2.763 1.00 0.00 H new ATOM 0 HG22 ILE B 80 5.360 -0.295 0.998 1.00 0.00 H new ATOM 0 HG23 ILE B 80 4.611 -1.705 1.784 1.00 0.00 H new ATOM 0 HD11 ILE B 80 5.595 -3.821 4.446 1.00 0.00 H new ATOM 0 HD12 ILE B 80 4.632 -2.598 3.582 1.00 0.00 H new ATOM 0 HD13 ILE B 80 5.395 -3.930 2.681 1.00 0.00 H new ATOM 2861 N GLY B 81 4.948 -2.872 -0.211 1.00 0.00 N ATOM 2862 CA GLY B 81 3.821 -3.707 -0.580 1.00 0.00 C ATOM 2863 C GLY B 81 4.292 -4.980 -1.241 1.00 0.00 C ATOM 2864 O GLY B 81 3.911 -6.079 -0.840 1.00 0.00 O ATOM 0 H GLY B 81 4.904 -1.911 -0.550 1.00 0.00 H new ATOM 0 HA2 GLY B 81 3.235 -3.948 0.307 1.00 0.00 H new ATOM 0 HA3 GLY B 81 3.164 -3.161 -1.258 1.00 0.00 H new ATOM 2868 N GLY B 82 5.157 -4.830 -2.241 1.00 0.00 N ATOM 2869 CA GLY B 82 5.704 -5.992 -2.921 1.00 0.00 C ATOM 2870 C GLY B 82 6.312 -6.983 -1.941 1.00 0.00 C ATOM 2871 O GLY B 82 6.202 -8.195 -2.126 1.00 0.00 O ATOM 0 H GLY B 82 5.487 -3.931 -2.591 1.00 0.00 H new ATOM 0 HA2 GLY B 82 4.917 -6.483 -3.493 1.00 0.00 H new ATOM 0 HA3 GLY B 82 6.464 -5.672 -3.634 1.00 0.00 H new ATOM 2875 N LEU B 83 6.944 -6.470 -0.885 1.00 0.00 N ATOM 2876 CA LEU B 83 7.547 -7.330 0.130 1.00 0.00 C ATOM 2877 C LEU B 83 6.480 -8.149 0.833 1.00 0.00 C ATOM 2878 O LEU B 83 6.636 -9.354 1.019 1.00 0.00 O ATOM 2879 CB LEU B 83 8.319 -6.504 1.154 1.00 0.00 C ATOM 2880 CG LEU B 83 9.098 -5.333 0.572 1.00 0.00 C ATOM 2881 CD1 LEU B 83 9.994 -4.712 1.628 1.00 0.00 C ATOM 2882 CD2 LEU B 83 9.907 -5.780 -0.638 1.00 0.00 C ATOM 0 H LEU B 83 7.051 -5.470 -0.712 1.00 0.00 H new ATOM 0 HA LEU B 83 8.242 -8.003 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU B 83 7.617 -6.123 1.896 1.00 0.00 H new ATOM 0 HB3 LEU B 83 9.014 -7.159 1.679 1.00 0.00 H new ATOM 0 HG LEU B 83 8.389 -4.573 0.243 1.00 0.00 H new ATOM 0 HD11 LEU B 83 10.543 -3.877 1.194 1.00 0.00 H new ATOM 0 HD12 LEU B 83 9.384 -4.354 2.457 1.00 0.00 H new ATOM 0 HD13 LEU B 83 10.699 -5.459 1.992 1.00 0.00 H new ATOM 0 HD21 LEU B 83 10.458 -4.930 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU B 83 10.609 -6.558 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU B 83 9.234 -6.172 -1.401 1.00 0.00 H new ATOM 2894 N ALA B 84 5.388 -7.495 1.217 1.00 0.00 N ATOM 2895 CA ALA B 84 4.297 -8.193 1.890 1.00 0.00 C ATOM 2896 C ALA B 84 3.822 -9.370 1.051 1.00 0.00 C ATOM 2897 O ALA B 84 3.386 -10.393 1.575 1.00 0.00 O ATOM 2898 CB ALA B 84 3.133 -7.249 2.131 1.00 0.00 C ATOM 0 H ALA B 84 5.235 -6.496 1.076 1.00 0.00 H new ATOM 0 HA ALA B 84 4.669 -8.559 2.847 1.00 0.00 H new ATOM 0 HB1 ALA B 84 2.328 -7.785 2.634 1.00 0.00 H new ATOM 0 HB2 ALA B 84 3.461 -6.419 2.756 1.00 0.00 H new ATOM 0 HB3 ALA B 84 2.773 -6.865 1.177 1.00 0.00 H new ATOM 2904 N VAL B 85 3.916 -9.208 -0.258 1.00 0.00 N ATOM 2905 CA VAL B 85 3.502 -10.250 -1.187 1.00 0.00 C ATOM 2906 C VAL B 85 4.616 -11.256 -1.426 1.00 0.00 C ATOM 2907 O VAL B 85 4.377 -12.361 -1.912 1.00 0.00 O ATOM 2908 CB VAL B 85 3.014 -9.681 -2.541 1.00 0.00 C ATOM 2909 CG1 VAL B 85 1.576 -10.095 -2.773 1.00 0.00 C ATOM 2910 CG2 VAL B 85 3.133 -8.163 -2.604 1.00 0.00 C ATOM 0 H VAL B 85 4.276 -8.364 -0.704 1.00 0.00 H new ATOM 0 HA VAL B 85 2.660 -10.756 -0.714 1.00 0.00 H new ATOM 0 HB VAL B 85 3.654 -10.089 -3.323 1.00 0.00 H new ATOM 0 HG11 VAL B 85 1.231 -9.695 -3.726 1.00 0.00 H new ATOM 0 HG12 VAL B 85 1.509 -11.183 -2.791 1.00 0.00 H new ATOM 0 HG13 VAL B 85 0.951 -9.706 -1.969 1.00 0.00 H new ATOM 0 HG21 VAL B 85 2.779 -7.810 -3.573 1.00 0.00 H new ATOM 0 HG22 VAL B 85 2.530 -7.718 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL B 85 4.176 -7.874 -2.472 1.00 0.00 H new ATOM 2920 N ALA B 86 5.831 -10.864 -1.086 1.00 0.00 N ATOM 2921 CA ALA B 86 6.987 -11.720 -1.263 1.00 0.00 C ATOM 2922 C ALA B 86 7.604 -12.103 0.079 1.00 0.00 C ATOM 2923 O ALA B 86 8.727 -12.607 0.136 1.00 0.00 O ATOM 2924 CB ALA B 86 7.997 -11.002 -2.125 1.00 0.00 C ATOM 0 H ALA B 86 6.042 -9.951 -0.683 1.00 0.00 H new ATOM 0 HA ALA B 86 6.675 -12.643 -1.751 1.00 0.00 H new ATOM 0 HB1 ALA B 86 8.872 -11.637 -2.265 1.00 0.00 H new ATOM 0 HB2 ALA B 86 7.553 -10.776 -3.095 1.00 0.00 H new ATOM 0 HB3 ALA B 86 8.296 -10.074 -1.638 1.00 0.00 H new ATOM 2930 N CYS B 87 6.867 -11.857 1.156 1.00 0.00 N ATOM 2931 CA CYS B 87 7.342 -12.168 2.497 1.00 0.00 C ATOM 2932 C CYS B 87 6.173 -12.396 3.449 1.00 0.00 C ATOM 2933 O CYS B 87 6.196 -13.321 4.260 1.00 0.00 O ATOM 2934 CB CYS B 87 8.230 -11.038 3.019 1.00 0.00 C ATOM 2935 SG CYS B 87 9.524 -11.583 4.158 1.00 0.00 S ATOM 0 H CYS B 87 5.936 -11.442 1.125 1.00 0.00 H new ATOM 0 HA CYS B 87 7.927 -13.086 2.446 1.00 0.00 H new ATOM 0 HB2 CYS B 87 8.695 -10.535 2.171 1.00 0.00 H new ATOM 0 HB3 CYS B 87 7.604 -10.301 3.523 1.00 0.00 H new ATOM 0 HG CYS B 87 10.223 -10.557 4.543 1.00 0.00 H new ATOM 2941 N HIS B 88 5.147 -11.553 3.347 1.00 0.00 N ATOM 2942 CA HIS B 88 3.976 -11.683 4.208 1.00 0.00 C ATOM 2943 C HIS B 88 2.956 -12.636 3.593 1.00 0.00 C ATOM 2944 O HIS B 88 2.864 -12.759 2.371 1.00 0.00 O ATOM 2945 CB HIS B 88 3.331 -10.318 4.463 1.00 0.00 C ATOM 2946 CG HIS B 88 2.369 -10.320 5.611 1.00 0.00 C ATOM 2947 ND1 HIS B 88 1.016 -10.379 5.633 1.00 0.00 N flip ATOM 2948 CD2 HIS B 88 2.769 -10.259 6.930 1.00 0.00 C flip ATOM 2949 CE1 HIS B 88 0.629 -10.353 6.950 1.00 0.00 C flip ATOM 2950 NE2 HIS B 88 1.704 -10.282 7.712 1.00 0.00 N flip ATOM 0 H HIS B 88 5.103 -10.780 2.683 1.00 0.00 H new ATOM 0 HA HIS B 88 4.308 -12.094 5.162 1.00 0.00 H new ATOM 0 HB2 HIS B 88 4.114 -9.585 4.656 1.00 0.00 H new ATOM 0 HB3 HIS B 88 2.809 -9.997 3.562 1.00 0.00 H new ATOM 0 HD2 HIS B 88 3.792 -10.201 7.270 1.00 0.00 H new ATOM 0 HE1 HIS B 88 -0.390 -10.385 7.305 1.00 0.00 H new ATOM 0 HE2 HIS B 88 1.712 -10.250 8.731 1.00 0.00 H new ATOM 2959 N GLU B 89 2.195 -13.314 4.448 1.00 0.00 N ATOM 2960 CA GLU B 89 1.184 -14.262 3.990 1.00 0.00 C ATOM 2961 C GLU B 89 0.245 -13.620 2.973 1.00 0.00 C ATOM 2962 O GLU B 89 -0.557 -12.751 3.315 1.00 0.00 O ATOM 2963 CB GLU B 89 0.381 -14.794 5.178 1.00 0.00 C ATOM 2964 CG GLU B 89 -0.016 -16.255 5.038 1.00 0.00 C ATOM 2965 CD GLU B 89 0.337 -17.077 6.263 1.00 0.00 C ATOM 2966 OE1 GLU B 89 -0.474 -17.108 7.212 1.00 0.00 O ATOM 2967 OE2 GLU B 89 1.426 -17.690 6.273 1.00 0.00 O ATOM 0 H GLU B 89 2.259 -13.224 5.462 1.00 0.00 H new ATOM 0 HA GLU B 89 1.698 -15.091 3.503 1.00 0.00 H new ATOM 0 HB2 GLU B 89 0.969 -14.671 6.088 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -0.519 -14.191 5.297 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -1.089 -16.320 4.859 1.00 0.00 H new ATOM 0 HG3 GLU B 89 0.479 -16.680 4.165 1.00 0.00 H new ATOM 2974 N SER B 90 0.350 -14.057 1.722 1.00 0.00 N ATOM 2975 CA SER B 90 -0.489 -13.529 0.652 1.00 0.00 C ATOM 2976 C SER B 90 -0.180 -14.221 -0.672 1.00 0.00 C ATOM 2977 O SER B 90 -1.037 -14.890 -1.250 1.00 0.00 O ATOM 2978 CB SER B 90 -0.286 -12.019 0.512 1.00 0.00 C ATOM 2979 OG SER B 90 -1.225 -11.303 1.294 1.00 0.00 O ATOM 0 H SER B 90 1.009 -14.776 1.424 1.00 0.00 H new ATOM 0 HA SER B 90 -1.530 -13.725 0.910 1.00 0.00 H new ATOM 0 HB2 SER B 90 0.725 -11.755 0.821 1.00 0.00 H new ATOM 0 HB3 SER B 90 -0.385 -11.731 -0.535 1.00 0.00 H new ATOM 0 HG SER B 90 -1.107 -11.534 2.239 1.00 0.00 H new ATOM 2985 N PHE B 91 1.051 -14.055 -1.147 1.00 0.00 N ATOM 2986 CA PHE B 91 1.475 -14.664 -2.404 1.00 0.00 C ATOM 2987 C PHE B 91 2.570 -15.696 -2.170 1.00 0.00 C ATOM 2988 O PHE B 91 2.662 -16.691 -2.891 1.00 0.00 O ATOM 2989 CB PHE B 91 1.984 -13.593 -3.369 1.00 0.00 C ATOM 2990 CG PHE B 91 0.975 -13.190 -4.406 1.00 0.00 C ATOM 2991 CD1 PHE B 91 -0.329 -12.893 -4.043 1.00 0.00 C ATOM 2992 CD2 PHE B 91 1.329 -13.111 -5.743 1.00 0.00 C ATOM 2993 CE1 PHE B 91 -1.260 -12.523 -4.996 1.00 0.00 C ATOM 2994 CE2 PHE B 91 0.403 -12.743 -6.700 1.00 0.00 C ATOM 2995 CZ PHE B 91 -0.894 -12.448 -6.325 1.00 0.00 C ATOM 0 H PHE B 91 1.772 -13.504 -0.681 1.00 0.00 H new ATOM 0 HA PHE B 91 0.610 -15.164 -2.840 1.00 0.00 H new ATOM 0 HB2 PHE B 91 2.278 -12.712 -2.799 1.00 0.00 H new ATOM 0 HB3 PHE B 91 2.879 -13.962 -3.869 1.00 0.00 H new ATOM 0 HD1 PHE B 91 -0.621 -12.951 -3.005 1.00 0.00 H new ATOM 0 HD2 PHE B 91 2.342 -13.340 -6.041 1.00 0.00 H new ATOM 0 HE1 PHE B 91 -2.273 -12.293 -4.701 1.00 0.00 H new ATOM 0 HE2 PHE B 91 0.692 -12.686 -7.739 1.00 0.00 H new ATOM 0 HZ PHE B 91 -1.620 -12.159 -7.070 1.00 0.00 H new ATOM 3005 N VAL B 92 3.406 -15.448 -1.167 1.00 0.00 N ATOM 3006 CA VAL B 92 4.507 -16.348 -0.842 1.00 0.00 C ATOM 3007 C VAL B 92 4.059 -17.808 -0.855 1.00 0.00 C ATOM 3008 O VAL B 92 2.969 -18.138 -0.387 1.00 0.00 O ATOM 3009 CB VAL B 92 5.113 -16.020 0.536 1.00 0.00 C ATOM 3010 CG1 VAL B 92 6.374 -16.837 0.774 1.00 0.00 C ATOM 3011 CG2 VAL B 92 5.404 -14.529 0.653 1.00 0.00 C ATOM 0 H VAL B 92 3.342 -14.628 -0.563 1.00 0.00 H new ATOM 0 HA VAL B 92 5.266 -16.202 -1.611 1.00 0.00 H new ATOM 0 HB VAL B 92 4.386 -16.285 1.303 1.00 0.00 H new ATOM 0 HG11 VAL B 92 6.787 -16.591 1.752 1.00 0.00 H new ATOM 0 HG12 VAL B 92 6.131 -17.899 0.739 1.00 0.00 H new ATOM 0 HG13 VAL B 92 7.108 -16.607 0.002 1.00 0.00 H new ATOM 0 HG21 VAL B 92 5.831 -14.318 1.633 1.00 0.00 H new ATOM 0 HG22 VAL B 92 6.111 -14.234 -0.122 1.00 0.00 H new ATOM 0 HG23 VAL B 92 4.478 -13.967 0.532 1.00 0.00 H new