USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 885 hydrogens (51 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 72 M3L H2 : A 72 M3L N : A 71 PRO C :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD Set 1.1: A 67 TYR OH : rot -155:sc= 0.876 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 39 HIS :FLIP no HD1:sc= -9.28! C(o=-13!,f=-12!) USER MOD Set 2.2: A 56 ASN : amide:sc= -2.64 K(o=-12,f=-17!) USER MOD Set 3.1: A 19 THR OG1 : rot 72:sc= -2.37! USER MOD Set 3.2: A 31 ASN :FLIP amide:sc= -5.97! C(o=-10!,f=-8.3!) USER MOD Set 4.1: A -2 LYS NZ :NH3+ 164:sc= 0.54 (180deg=0.413) USER MOD Set 4.2: A 92 ASN :FLIP amide:sc= -3.35! C(o=-4.9!,f=-2.8!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0976 USER MOD Single : A 4 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00149) USER MOD Single : A 5 LYS NZ :NH3+ -164:sc= -0.0256 (180deg=-0.262) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -5 THR N :NH3+ -147:sc= 0.121 (180deg=-0.888) USER MOD Single : A -5 THR OG1 : rot 180:sc= -0.0609 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot -143:sc= -31.2! USER MOD Single : A 16 GLN : amide:sc= -0.0318 X(o=-0.032,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -2.47 K(o=-2.5,f=-3.2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-2.3) USER MOD Single : A 40 SER OG : rot -26:sc= 0.0142 USER MOD Single : A 42 GLN : amide:sc= -5.07! C(o=-5.1!,f=-8.9!) USER MOD Single : A 46 TYR OH : rot 130:sc=-0.00486 USER MOD Single : A 47 SER OG : rot 47:sc= 0.664 USER MOD Single : A 48 TYR OH : rot 30:sc= -0.201 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -2.24! C(o=-2.2!,f=-2.4!) USER MOD Single : A 54 LYS NZ :NH3+ 154:sc= 0.0971 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -152:sc= -0.0387 (180deg=-0.4) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.0312 F(o=-2.1,f=-0.031) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.451 F(o=-3.7,f=-0.45) USER MOD Single : A 64 MET CE :methyl -160:sc= -3.94 (180deg=-5.67!) USER MOD Single : A 65 SER OG : rot 76:sc= -3.65! USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.89! USER MOD Single : A 70 ASN : amide:sc= -2.04! C(o=-2!,f=-4.2!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 30:sc= -1.04 USER MOD Single : A 79 LYS NZ :NH3+ -164:sc=-0.00399 (180deg=-0.0945) USER MOD Single : A 80 MET CE :methyl 171:sc= -0.409 (180deg=-0.769) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0322) USER MOD Single : A 89 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0176) USER MOD Single : A 96 THR OG1 : rot -100:sc= 0.814 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -66:sc= 1.01 USER MOD Single : A 104 HEC O2A : rot 28:sc= -4.14! USER MOD Single : A 104 HEC O2D : rot 89:sc= -0.0297 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 6.238 -21.134 -5.189 1.00 0.00 N ATOM 2 CA THR A -5 7.594 -20.649 -4.997 1.00 0.00 C ATOM 3 C THR A -5 7.658 -19.138 -5.229 1.00 0.00 C ATOM 4 O THR A -5 8.137 -18.395 -4.374 1.00 0.00 O ATOM 5 CB THR A -5 8.517 -21.446 -5.921 1.00 0.00 C ATOM 6 OG1 THR A -5 7.947 -21.271 -7.216 1.00 0.00 O ATOM 7 CG2 THR A -5 8.431 -22.954 -5.677 1.00 0.00 C ATOM 0 H1 THR A -5 6.060 -21.930 -4.544 1.00 0.00 H new ATOM 0 H2 THR A -5 5.564 -20.368 -4.988 1.00 0.00 H new ATOM 0 H3 THR A -5 6.119 -21.451 -6.172 1.00 0.00 H new ATOM 0 HA THR A -5 7.927 -20.803 -3.971 1.00 0.00 H new ATOM 0 HB THR A -5 9.546 -21.114 -5.780 1.00 0.00 H new ATOM 0 HG1 THR A -5 8.484 -21.754 -7.878 1.00 0.00 H new ATOM 0 HG21 THR A -5 9.106 -23.472 -6.359 1.00 0.00 H new ATOM 0 HG22 THR A -5 8.716 -23.173 -4.648 1.00 0.00 H new ATOM 0 HG23 THR A -5 7.410 -23.293 -5.850 1.00 0.00 H new ATOM 15 N GLU A -4 7.168 -18.729 -6.390 1.00 0.00 N ATOM 16 CA GLU A -4 7.164 -17.320 -6.746 1.00 0.00 C ATOM 17 C GLU A -4 6.294 -16.529 -5.767 1.00 0.00 C ATOM 18 O GLU A -4 6.676 -15.445 -5.328 1.00 0.00 O ATOM 19 CB GLU A -4 6.689 -17.120 -8.186 1.00 0.00 C ATOM 20 CG GLU A -4 5.290 -17.704 -8.389 1.00 0.00 C ATOM 21 CD GLU A -4 4.216 -16.627 -8.220 1.00 0.00 C ATOM 22 OE1 GLU A -4 4.525 -15.461 -8.549 1.00 0.00 O ATOM 23 OE2 GLU A -4 3.111 -16.994 -7.766 1.00 0.00 O ATOM 0 H GLU A -4 6.771 -19.349 -7.096 1.00 0.00 H new ATOM 0 HA GLU A -4 8.185 -16.945 -6.680 1.00 0.00 H new ATOM 0 HB2 GLU A -4 6.681 -16.057 -8.426 1.00 0.00 H new ATOM 0 HB3 GLU A -4 7.389 -17.596 -8.873 1.00 0.00 H new ATOM 0 HG2 GLU A -4 5.216 -18.143 -9.384 1.00 0.00 H new ATOM 0 HG3 GLU A -4 5.120 -18.508 -7.672 1.00 0.00 H new ATOM 30 N PHE A -3 5.141 -17.101 -5.454 1.00 0.00 N ATOM 31 CA PHE A -3 4.214 -16.462 -4.535 1.00 0.00 C ATOM 32 C PHE A -3 2.995 -17.351 -4.280 1.00 0.00 C ATOM 33 O PHE A -3 2.039 -17.338 -5.055 1.00 0.00 O ATOM 34 CB PHE A -3 3.753 -15.162 -5.197 1.00 0.00 C ATOM 35 CG PHE A -3 2.379 -14.678 -4.728 1.00 0.00 C ATOM 36 CD1 PHE A -3 2.249 -14.064 -3.522 1.00 0.00 C ATOM 37 CD2 PHE A -3 1.287 -14.863 -5.518 1.00 0.00 C ATOM 38 CE1 PHE A -3 0.974 -13.615 -3.087 1.00 0.00 C ATOM 39 CE2 PHE A -3 0.012 -14.414 -5.084 1.00 0.00 C ATOM 40 CZ PHE A -3 -0.118 -13.800 -3.877 1.00 0.00 C ATOM 0 H PHE A -3 4.827 -18.000 -5.820 1.00 0.00 H new ATOM 0 HA PHE A -3 4.704 -16.280 -3.578 1.00 0.00 H new ATOM 0 HB2 PHE A -3 4.489 -14.383 -4.997 1.00 0.00 H new ATOM 0 HB3 PHE A -3 3.727 -15.306 -6.277 1.00 0.00 H new ATOM 0 HD1 PHE A -3 3.116 -13.918 -2.895 1.00 0.00 H new ATOM 0 HD2 PHE A -3 1.390 -15.352 -6.476 1.00 0.00 H new ATOM 0 HE1 PHE A -3 0.871 -13.127 -2.129 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -0.855 -14.560 -5.712 1.00 0.00 H new ATOM 0 HZ PHE A -3 -1.088 -13.459 -3.546 1.00 0.00 H new ATOM 50 N LYS A -2 3.067 -18.102 -3.191 1.00 0.00 N ATOM 51 CA LYS A -2 1.981 -18.995 -2.824 1.00 0.00 C ATOM 52 C LYS A -2 0.747 -18.167 -2.461 1.00 0.00 C ATOM 53 O LYS A -2 0.658 -17.630 -1.358 1.00 0.00 O ATOM 54 CB LYS A -2 2.427 -19.954 -1.718 1.00 0.00 C ATOM 55 CG LYS A -2 3.213 -19.213 -0.635 1.00 0.00 C ATOM 56 CD LYS A -2 4.712 -19.501 -0.752 1.00 0.00 C ATOM 57 CE LYS A -2 5.535 -18.240 -0.480 1.00 0.00 C ATOM 58 NZ LYS A -2 6.228 -18.345 0.823 1.00 0.00 N ATOM 0 H LYS A -2 3.861 -18.110 -2.551 1.00 0.00 H new ATOM 0 HA LYS A -2 1.704 -19.626 -3.668 1.00 0.00 H new ATOM 0 HB2 LYS A -2 1.555 -20.435 -1.275 1.00 0.00 H new ATOM 0 HB3 LYS A -2 3.045 -20.745 -2.144 1.00 0.00 H new ATOM 0 HG2 LYS A -2 3.037 -18.141 -0.722 1.00 0.00 H new ATOM 0 HG3 LYS A -2 2.857 -19.516 0.350 1.00 0.00 H new ATOM 0 HD2 LYS A -2 4.992 -20.282 -0.045 1.00 0.00 H new ATOM 0 HD3 LYS A -2 4.937 -19.878 -1.750 1.00 0.00 H new ATOM 0 HE2 LYS A -2 6.265 -18.096 -1.276 1.00 0.00 H new ATOM 0 HE3 LYS A -2 4.884 -17.366 -0.483 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 6.980 -17.628 0.875 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 5.546 -18.188 1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 6.646 -19.293 0.919 1.00 0.00 H new ATOM 72 N ALA A -1 -0.176 -18.091 -3.409 1.00 0.00 N ATOM 73 CA ALA A -1 -1.401 -17.339 -3.202 1.00 0.00 C ATOM 74 C ALA A -1 -2.203 -17.980 -2.067 1.00 0.00 C ATOM 75 O ALA A -1 -2.043 -19.165 -1.782 1.00 0.00 O ATOM 76 CB ALA A -1 -2.190 -17.278 -4.511 1.00 0.00 C ATOM 0 H ALA A -1 -0.099 -18.538 -4.323 1.00 0.00 H new ATOM 0 HA ALA A -1 -1.177 -16.314 -2.908 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -3.109 -16.714 -4.356 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -1.588 -16.788 -5.276 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -2.435 -18.289 -4.835 1.00 0.00 H new ATOM 82 N GLY A 1 -3.048 -17.167 -1.450 1.00 0.00 N ATOM 83 CA GLY A 1 -3.875 -17.640 -0.353 1.00 0.00 C ATOM 84 C GLY A 1 -5.220 -18.159 -0.865 1.00 0.00 C ATOM 85 O GLY A 1 -5.268 -19.130 -1.619 1.00 0.00 O ATOM 0 H GLY A 1 -3.178 -16.184 -1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.355 -18.434 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.040 -16.830 0.358 1.00 0.00 H new ATOM 89 N SER A 2 -6.280 -17.491 -0.434 1.00 0.00 N ATOM 90 CA SER A 2 -7.622 -17.873 -0.839 1.00 0.00 C ATOM 91 C SER A 2 -8.653 -16.988 -0.135 1.00 0.00 C ATOM 92 O SER A 2 -9.290 -16.148 -0.768 1.00 0.00 O ATOM 93 CB SER A 2 -7.890 -19.348 -0.533 1.00 0.00 C ATOM 94 OG SER A 2 -7.388 -19.728 0.745 1.00 0.00 O ATOM 0 H SER A 2 -6.236 -16.687 0.192 1.00 0.00 H new ATOM 0 HA SER A 2 -7.708 -17.732 -1.916 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.963 -19.537 -0.572 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.429 -19.967 -1.302 1.00 0.00 H new ATOM 0 HG SER A 2 -7.580 -20.676 0.903 1.00 0.00 H new ATOM 100 N ALA A 3 -8.784 -17.208 1.165 1.00 0.00 N ATOM 101 CA ALA A 3 -9.727 -16.441 1.961 1.00 0.00 C ATOM 102 C ALA A 3 -9.541 -16.790 3.439 1.00 0.00 C ATOM 103 O ALA A 3 -8.678 -17.594 3.787 1.00 0.00 O ATOM 104 CB ALA A 3 -11.150 -16.715 1.472 1.00 0.00 C ATOM 0 H ALA A 3 -8.253 -17.906 1.686 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.544 -15.372 1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -11.857 -16.139 2.069 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -11.238 -16.423 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -11.371 -17.778 1.572 1.00 0.00 H new ATOM 110 N LYS A 4 -10.365 -16.167 4.269 1.00 0.00 N ATOM 111 CA LYS A 4 -10.302 -16.401 5.702 1.00 0.00 C ATOM 112 C LYS A 4 -8.839 -16.410 6.149 1.00 0.00 C ATOM 113 O LYS A 4 -8.384 -17.364 6.780 1.00 0.00 O ATOM 114 CB LYS A 4 -11.065 -17.675 6.070 1.00 0.00 C ATOM 115 CG LYS A 4 -11.820 -17.500 7.390 1.00 0.00 C ATOM 116 CD LYS A 4 -11.566 -18.681 8.328 1.00 0.00 C ATOM 117 CE LYS A 4 -12.609 -19.781 8.119 1.00 0.00 C ATOM 118 NZ LYS A 4 -12.188 -20.696 7.035 1.00 0.00 N ATOM 0 H LYS A 4 -11.080 -15.501 3.977 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.796 -15.593 6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.768 -17.925 5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.368 -18.509 6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.507 -16.574 7.872 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.888 -17.411 7.193 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.568 -19.083 8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.594 -18.340 9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.745 -20.342 9.044 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.572 -19.335 7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.899 -21.446 6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.097 -20.163 6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.271 -21.123 7.278 1.00 0.00 H new ATOM 132 N LYS A 5 -8.142 -15.337 5.806 1.00 0.00 N ATOM 133 CA LYS A 5 -6.739 -15.210 6.164 1.00 0.00 C ATOM 134 C LYS A 5 -6.209 -13.866 5.660 1.00 0.00 C ATOM 135 O LYS A 5 -5.415 -13.214 6.337 1.00 0.00 O ATOM 136 CB LYS A 5 -5.945 -16.415 5.656 1.00 0.00 C ATOM 137 CG LYS A 5 -4.983 -16.929 6.729 1.00 0.00 C ATOM 138 CD LYS A 5 -5.742 -17.656 7.842 1.00 0.00 C ATOM 139 CE LYS A 5 -4.776 -18.217 8.887 1.00 0.00 C ATOM 140 NZ LYS A 5 -3.939 -19.287 8.299 1.00 0.00 N ATOM 0 H LYS A 5 -8.522 -14.547 5.284 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.620 -15.214 7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.631 -17.211 5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.385 -16.136 4.764 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.256 -17.605 6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.423 -16.094 7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.441 -16.969 8.319 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.333 -18.467 7.415 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.140 -17.418 9.269 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.337 -18.611 9.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.491 -19.836 9.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.534 -19.916 7.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.203 -18.862 7.700 1.00 0.00 H new ATOM 154 N GLY A 6 -6.668 -13.492 4.474 1.00 0.00 N ATOM 155 CA GLY A 6 -6.249 -12.238 3.871 1.00 0.00 C ATOM 156 C GLY A 6 -7.223 -11.111 4.219 1.00 0.00 C ATOM 157 O GLY A 6 -6.804 -9.994 4.521 1.00 0.00 O ATOM 0 H GLY A 6 -7.326 -14.035 3.915 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.249 -11.979 4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -6.191 -12.352 2.789 1.00 0.00 H new ATOM 161 N ALA A 7 -8.505 -11.441 4.165 1.00 0.00 N ATOM 162 CA ALA A 7 -9.542 -10.470 4.471 1.00 0.00 C ATOM 163 C ALA A 7 -9.320 -9.921 5.881 1.00 0.00 C ATOM 164 O ALA A 7 -9.144 -8.717 6.061 1.00 0.00 O ATOM 165 CB ALA A 7 -10.916 -11.123 4.308 1.00 0.00 C ATOM 0 H ALA A 7 -8.849 -12.368 3.914 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.497 -9.629 3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.694 -10.395 4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.035 -11.470 3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.999 -11.970 4.989 1.00 0.00 H new ATOM 171 N THR A 8 -9.336 -10.829 6.845 1.00 0.00 N ATOM 172 CA THR A 8 -9.139 -10.451 8.234 1.00 0.00 C ATOM 173 C THR A 8 -7.893 -9.574 8.376 1.00 0.00 C ATOM 174 O THR A 8 -7.763 -8.826 9.344 1.00 0.00 O ATOM 175 CB THR A 8 -9.079 -11.731 9.069 1.00 0.00 C ATOM 176 OG1 THR A 8 -10.263 -11.685 9.861 1.00 0.00 O ATOM 177 CG2 THR A 8 -7.944 -11.709 10.095 1.00 0.00 C ATOM 0 H THR A 8 -9.483 -11.827 6.692 1.00 0.00 H new ATOM 0 HA THR A 8 -9.968 -9.846 8.600 1.00 0.00 H new ATOM 0 HB THR A 8 -8.954 -12.589 8.408 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.305 -12.480 10.433 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.947 -12.641 10.661 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.990 -11.600 9.580 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.086 -10.870 10.777 1.00 0.00 H new ATOM 185 N LEU A 9 -7.009 -9.695 7.397 1.00 0.00 N ATOM 186 CA LEU A 9 -5.778 -8.922 7.400 1.00 0.00 C ATOM 187 C LEU A 9 -6.109 -7.442 7.198 1.00 0.00 C ATOM 188 O LEU A 9 -6.152 -6.675 8.159 1.00 0.00 O ATOM 189 CB LEU A 9 -4.794 -9.479 6.370 1.00 0.00 C ATOM 190 CG LEU A 9 -3.376 -9.751 6.876 1.00 0.00 C ATOM 191 CD1 LEU A 9 -3.031 -11.238 6.767 1.00 0.00 C ATOM 192 CD2 LEU A 9 -2.356 -8.872 6.149 1.00 0.00 C ATOM 0 H LEU A 9 -7.120 -10.317 6.596 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.277 -9.007 8.364 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.202 -10.409 5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.733 -8.777 5.538 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.334 -9.487 7.933 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.018 -11.404 7.133 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.733 -11.819 7.365 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.096 -11.551 5.725 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.356 -9.085 6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.391 -9.082 5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.593 -7.822 6.321 1.00 0.00 H new ATOM 204 N PHE A 10 -6.336 -7.086 5.943 1.00 0.00 N ATOM 205 CA PHE A 10 -6.662 -5.711 5.603 1.00 0.00 C ATOM 206 C PHE A 10 -7.552 -5.078 6.673 1.00 0.00 C ATOM 207 O PHE A 10 -7.385 -3.907 7.012 1.00 0.00 O ATOM 208 CB PHE A 10 -7.425 -5.747 4.277 1.00 0.00 C ATOM 209 CG PHE A 10 -7.446 -4.410 3.534 1.00 0.00 C ATOM 210 CD1 PHE A 10 -6.277 -3.808 3.185 1.00 0.00 C ATOM 211 CD2 PHE A 10 -8.633 -3.824 3.222 1.00 0.00 C ATOM 212 CE1 PHE A 10 -6.297 -2.566 2.496 1.00 0.00 C ATOM 213 CE2 PHE A 10 -8.652 -2.583 2.532 1.00 0.00 C ATOM 214 CZ PHE A 10 -7.484 -1.980 2.184 1.00 0.00 C ATOM 0 H PHE A 10 -6.301 -7.725 5.149 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.750 -5.119 5.531 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.976 -6.502 3.632 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.451 -6.060 4.469 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.334 -4.274 3.432 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -9.561 -4.302 3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.369 -2.087 2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.595 -2.118 2.284 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.499 -1.036 1.660 1.00 0.00 H new ATOM 224 N LYS A 11 -8.480 -5.879 7.176 1.00 0.00 N ATOM 225 CA LYS A 11 -9.397 -5.412 8.201 1.00 0.00 C ATOM 226 C LYS A 11 -8.614 -4.648 9.271 1.00 0.00 C ATOM 227 O LYS A 11 -9.035 -3.579 9.709 1.00 0.00 O ATOM 228 CB LYS A 11 -10.220 -6.576 8.755 1.00 0.00 C ATOM 229 CG LYS A 11 -11.622 -6.115 9.158 1.00 0.00 C ATOM 230 CD LYS A 11 -12.340 -7.190 9.976 1.00 0.00 C ATOM 231 CE LYS A 11 -13.162 -6.563 11.104 1.00 0.00 C ATOM 232 NZ LYS A 11 -12.926 -7.280 12.377 1.00 0.00 N ATOM 0 H LYS A 11 -8.616 -6.849 6.892 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.120 -4.715 7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.294 -7.363 8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.713 -7.006 9.619 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.553 -5.196 9.740 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.203 -5.884 8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.993 -7.772 9.325 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.609 -7.882 10.395 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.894 -5.512 11.216 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.222 -6.597 10.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.491 -6.842 13.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.203 -8.277 12.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.917 -7.226 12.624 1.00 0.00 H new ATOM 246 N THR A 12 -7.487 -5.228 9.660 1.00 0.00 N ATOM 247 CA THR A 12 -6.641 -4.615 10.670 1.00 0.00 C ATOM 248 C THR A 12 -5.220 -4.429 10.134 1.00 0.00 C ATOM 249 O THR A 12 -4.715 -5.276 9.399 1.00 0.00 O ATOM 250 CB THR A 12 -6.707 -5.481 11.930 1.00 0.00 C ATOM 251 OG1 THR A 12 -6.282 -6.768 11.490 1.00 0.00 O ATOM 252 CG2 THR A 12 -8.142 -5.706 12.411 1.00 0.00 C ATOM 0 H THR A 12 -7.141 -6.115 9.294 1.00 0.00 H new ATOM 0 HA THR A 12 -6.991 -3.615 10.926 1.00 0.00 H new ATOM 0 HB THR A 12 -6.128 -5.011 12.724 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.294 -7.392 12.245 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.132 -6.326 13.307 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.604 -4.746 12.639 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.713 -6.207 11.629 1.00 0.00 H new ATOM 260 N ARG A 13 -4.616 -3.316 10.524 1.00 0.00 N ATOM 261 CA ARG A 13 -3.264 -3.009 10.091 1.00 0.00 C ATOM 262 C ARG A 13 -3.277 -2.435 8.673 1.00 0.00 C ATOM 263 O ARG A 13 -2.256 -2.441 7.988 1.00 0.00 O ATOM 264 CB ARG A 13 -2.379 -4.256 10.121 1.00 0.00 C ATOM 265 CG ARG A 13 -2.603 -5.057 11.405 1.00 0.00 C ATOM 266 CD ARG A 13 -1.522 -4.745 12.442 1.00 0.00 C ATOM 267 NE ARG A 13 -1.064 -5.995 13.089 1.00 0.00 N ATOM 268 CZ ARG A 13 0.117 -6.132 13.707 1.00 0.00 C ATOM 269 NH1 ARG A 13 0.967 -5.098 13.765 1.00 0.00 N ATOM 270 NH2 ARG A 13 0.448 -7.304 14.266 1.00 0.00 N ATOM 0 H ARG A 13 -5.038 -2.616 11.135 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.855 -2.271 10.781 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.597 -4.882 9.255 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.331 -3.964 10.048 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.585 -4.824 11.817 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.598 -6.123 11.178 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.681 -4.245 11.963 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.914 -4.060 13.193 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.686 -6.803 13.063 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.715 -4.206 13.339 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.866 -5.203 14.236 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.199 -8.091 14.221 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.347 -7.409 14.737 1.00 0.00 H new ATOM 284 N CYS A 14 -4.445 -1.953 8.275 1.00 0.00 N ATOM 285 CA CYS A 14 -4.605 -1.376 6.951 1.00 0.00 C ATOM 286 C CYS A 14 -5.827 -0.455 6.972 1.00 0.00 C ATOM 287 O CYS A 14 -5.691 0.764 6.873 1.00 0.00 O ATOM 288 CB CYS A 14 -4.724 -2.457 5.874 1.00 0.00 C ATOM 289 SG CYS A 14 -3.648 -2.207 4.415 1.00 0.00 S ATOM 0 H CYS A 14 -5.290 -1.950 8.846 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.719 -0.796 6.695 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.488 -3.423 6.321 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.760 -2.505 5.540 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.276 -2.587 3.342 1.00 0.00 H new ATOM 294 N LEU A 15 -6.991 -1.073 7.103 1.00 0.00 N ATOM 295 CA LEU A 15 -8.236 -0.323 7.139 1.00 0.00 C ATOM 296 C LEU A 15 -8.079 0.872 8.080 1.00 0.00 C ATOM 297 O LEU A 15 -8.511 1.979 7.761 1.00 0.00 O ATOM 298 CB LEU A 15 -9.404 -1.242 7.501 1.00 0.00 C ATOM 299 CG LEU A 15 -9.921 -2.144 6.378 1.00 0.00 C ATOM 300 CD1 LEU A 15 -11.260 -2.780 6.757 1.00 0.00 C ATOM 301 CD2 LEU A 15 -10.004 -1.380 5.055 1.00 0.00 C ATOM 0 H LEU A 15 -7.099 -2.084 7.186 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.469 0.077 6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.099 -1.873 8.336 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.230 -0.625 7.854 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.207 -2.956 6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.605 -3.416 5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.135 -3.381 7.658 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.995 -1.997 6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.374 -2.044 4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.684 -0.535 5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.013 -1.016 4.782 1.00 0.00 H new ATOM 313 N GLN A 16 -7.461 0.609 9.222 1.00 0.00 N ATOM 314 CA GLN A 16 -7.243 1.649 10.212 1.00 0.00 C ATOM 315 C GLN A 16 -6.676 2.905 9.547 1.00 0.00 C ATOM 316 O GLN A 16 -6.825 4.009 10.068 1.00 0.00 O ATOM 317 CB GLN A 16 -6.320 1.158 11.330 1.00 0.00 C ATOM 318 CG GLN A 16 -4.932 0.818 10.785 1.00 0.00 C ATOM 319 CD GLN A 16 -3.914 0.690 11.920 1.00 0.00 C ATOM 320 OE1 GLN A 16 -3.105 1.570 12.166 1.00 0.00 O ATOM 321 NE2 GLN A 16 -3.998 -0.452 12.597 1.00 0.00 N ATOM 0 H GLN A 16 -7.104 -0.310 9.484 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.203 1.901 10.662 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.235 1.925 12.099 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.754 0.278 11.805 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.976 -0.116 10.224 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.611 1.593 10.089 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.698 -1.147 12.339 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.362 -0.632 13.374 1.00 0.00 H new ATOM 330 N CYS A 17 -6.038 2.694 8.405 1.00 0.00 N ATOM 331 CA CYS A 17 -5.448 3.795 7.662 1.00 0.00 C ATOM 332 C CYS A 17 -6.253 3.992 6.376 1.00 0.00 C ATOM 333 O CYS A 17 -6.814 5.028 6.005 1.00 0.00 O ATOM 334 CB CYS A 17 -3.965 3.554 7.376 1.00 0.00 C ATOM 335 SG CYS A 17 -2.952 3.166 8.850 1.00 0.00 S ATOM 0 H CYS A 17 -5.917 1.777 7.976 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.491 4.705 8.260 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.875 2.733 6.665 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.554 4.440 6.893 1.00 0.00 H new ATOM 340 N HIS A 18 -6.342 2.877 5.567 1.00 0.00 N ATOM 341 CA HIS A 18 -6.745 2.932 4.147 1.00 0.00 C ATOM 342 C HIS A 18 -8.108 2.330 3.839 1.00 0.00 C ATOM 343 O HIS A 18 -8.812 1.745 4.661 1.00 0.00 O ATOM 344 CB HIS A 18 -5.785 2.099 3.286 1.00 0.00 C ATOM 345 CG HIS A 18 -4.316 2.421 3.208 1.00 0.00 C ATOM 346 ND1 HIS A 18 -3.818 3.385 2.406 1.00 0.00 N ATOM 347 CD2 HIS A 18 -3.236 1.818 3.820 1.00 0.00 C ATOM 348 CE1 HIS A 18 -2.576 3.425 2.539 1.00 0.00 C ATOM 349 NE2 HIS A 18 -2.121 2.447 3.379 1.00 0.00 N ATOM 0 H HIS A 18 -6.135 1.934 5.896 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.748 4.000 3.930 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.865 1.068 3.630 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.170 2.126 2.266 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.367 3.985 1.790 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.273 0.997 4.521 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.938 4.146 2.049 1.00 0.00 H new ATOM 357 N THR A 19 -8.442 2.530 2.573 1.00 0.00 N ATOM 358 CA THR A 19 -9.711 2.054 2.049 1.00 0.00 C ATOM 359 C THR A 19 -9.573 1.683 0.571 1.00 0.00 C ATOM 360 O THR A 19 -9.159 2.507 -0.243 1.00 0.00 O ATOM 361 CB THR A 19 -10.765 3.132 2.309 1.00 0.00 C ATOM 362 OG1 THR A 19 -10.450 4.158 1.372 1.00 0.00 O ATOM 363 CG2 THR A 19 -10.589 3.806 3.672 1.00 0.00 C ATOM 0 H THR A 19 -7.856 3.016 1.894 1.00 0.00 H new ATOM 0 HA THR A 19 -10.028 1.141 2.552 1.00 0.00 H new ATOM 0 HB THR A 19 -11.759 2.690 2.248 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.686 3.860 0.469 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.362 4.563 3.806 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.672 3.058 4.461 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.608 4.278 3.721 1.00 0.00 H new ATOM 371 N VAL A 20 -9.928 0.442 0.270 1.00 0.00 N ATOM 372 CA VAL A 20 -9.849 -0.047 -1.096 1.00 0.00 C ATOM 373 C VAL A 20 -11.015 0.522 -1.906 1.00 0.00 C ATOM 374 O VAL A 20 -10.949 0.590 -3.132 1.00 0.00 O ATOM 375 CB VAL A 20 -9.808 -1.577 -1.102 1.00 0.00 C ATOM 376 CG1 VAL A 20 -11.217 -2.163 -0.996 1.00 0.00 C ATOM 377 CG2 VAL A 20 -9.087 -2.102 -2.345 1.00 0.00 C ATOM 0 H VAL A 20 -10.271 -0.239 0.948 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.928 0.292 -1.570 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.244 -1.901 -0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.160 -3.251 -1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.681 -1.829 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.816 -1.826 -1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.072 -3.192 -2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.610 -1.763 -3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.064 -1.725 -2.359 1.00 0.00 H new ATOM 387 N GLU A 21 -12.055 0.918 -1.188 1.00 0.00 N ATOM 388 CA GLU A 21 -13.234 1.480 -1.824 1.00 0.00 C ATOM 389 C GLU A 21 -12.842 2.650 -2.729 1.00 0.00 C ATOM 390 O GLU A 21 -11.667 3.001 -2.822 1.00 0.00 O ATOM 391 CB GLU A 21 -14.266 1.915 -0.782 1.00 0.00 C ATOM 392 CG GLU A 21 -13.585 2.560 0.428 1.00 0.00 C ATOM 393 CD GLU A 21 -14.491 3.612 1.070 1.00 0.00 C ATOM 394 OE1 GLU A 21 -15.244 4.255 0.307 1.00 0.00 O ATOM 395 OE2 GLU A 21 -14.410 3.750 2.310 1.00 0.00 O ATOM 0 H GLU A 21 -12.106 0.861 -0.171 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.693 0.707 -2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.965 2.621 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.848 1.052 -0.459 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.336 1.793 1.161 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.647 3.022 0.119 1.00 0.00 H new ATOM 402 N LYS A 22 -13.849 3.221 -3.373 1.00 0.00 N ATOM 403 CA LYS A 22 -13.624 4.344 -4.267 1.00 0.00 C ATOM 404 C LYS A 22 -14.321 5.586 -3.705 1.00 0.00 C ATOM 405 O LYS A 22 -15.297 5.473 -2.966 1.00 0.00 O ATOM 406 CB LYS A 22 -14.055 3.990 -5.692 1.00 0.00 C ATOM 407 CG LYS A 22 -13.997 5.217 -6.604 1.00 0.00 C ATOM 408 CD LYS A 22 -14.606 4.911 -7.974 1.00 0.00 C ATOM 409 CE LYS A 22 -13.779 5.544 -9.095 1.00 0.00 C ATOM 410 NZ LYS A 22 -14.526 6.654 -9.727 1.00 0.00 N ATOM 0 H LYS A 22 -14.823 2.927 -3.294 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.560 4.574 -4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.407 3.208 -6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.069 3.589 -5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.533 6.045 -6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.962 5.536 -6.725 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.658 3.832 -8.120 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.628 5.288 -8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.836 5.915 -8.694 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.533 4.791 -9.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.950 7.072 -10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.415 6.291 -10.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.739 7.380 -9.013 1.00 0.00 H new ATOM 424 N GLY A 23 -13.791 6.741 -4.078 1.00 0.00 N ATOM 425 CA GLY A 23 -14.349 8.002 -3.620 1.00 0.00 C ATOM 426 C GLY A 23 -13.941 8.290 -2.173 1.00 0.00 C ATOM 427 O GLY A 23 -14.599 9.066 -1.482 1.00 0.00 O ATOM 0 H GLY A 23 -12.981 6.830 -4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.007 8.811 -4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.436 7.972 -3.696 1.00 0.00 H new ATOM 431 N GLY A 24 -12.858 7.648 -1.759 1.00 0.00 N ATOM 432 CA GLY A 24 -12.355 7.825 -0.408 1.00 0.00 C ATOM 433 C GLY A 24 -11.906 9.269 -0.174 1.00 0.00 C ATOM 434 O GLY A 24 -11.203 9.846 -1.003 1.00 0.00 O ATOM 0 H GLY A 24 -12.315 7.005 -2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.131 7.561 0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.518 7.148 -0.236 1.00 0.00 H new ATOM 438 N PRO A 25 -12.341 9.826 0.987 1.00 0.00 N ATOM 439 CA PRO A 25 -11.991 11.192 1.340 1.00 0.00 C ATOM 440 C PRO A 25 -10.536 11.283 1.802 1.00 0.00 C ATOM 441 O PRO A 25 -10.033 12.373 2.071 1.00 0.00 O ATOM 442 CB PRO A 25 -12.983 11.585 2.422 1.00 0.00 C ATOM 443 CG PRO A 25 -13.549 10.282 2.962 1.00 0.00 C ATOM 444 CD PRO A 25 -13.175 9.173 1.992 1.00 0.00 C ATOM 0 HA PRO A 25 -12.055 11.875 0.493 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.494 12.155 3.212 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.774 12.216 2.016 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.147 10.073 3.954 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.632 10.350 3.065 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -12.634 8.372 2.496 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.061 8.725 1.541 1.00 0.00 H new ATOM 452 N HIS A 26 -9.899 10.123 1.878 1.00 0.00 N ATOM 453 CA HIS A 26 -8.511 10.059 2.303 1.00 0.00 C ATOM 454 C HIS A 26 -8.421 10.326 3.807 1.00 0.00 C ATOM 455 O HIS A 26 -8.944 11.327 4.295 1.00 0.00 O ATOM 456 CB HIS A 26 -7.645 11.013 1.478 1.00 0.00 C ATOM 457 CG HIS A 26 -7.756 10.808 -0.014 1.00 0.00 C ATOM 458 ND1 HIS A 26 -7.862 9.555 -0.593 1.00 0.00 N ATOM 459 CD2 HIS A 26 -7.776 11.708 -1.038 1.00 0.00 C ATOM 460 CE1 HIS A 26 -7.941 9.707 -1.907 1.00 0.00 C ATOM 461 NE2 HIS A 26 -7.887 11.042 -2.181 1.00 0.00 N ATOM 0 H HIS A 26 -10.318 9.221 1.653 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.118 9.058 2.123 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.926 12.039 1.715 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.603 10.891 1.775 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.712 12.781 -0.936 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -8.032 8.913 -2.633 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -7.926 11.460 -3.111 1.00 0.00 H new ATOM 469 N LYS A 27 -7.754 9.415 4.499 1.00 0.00 N ATOM 470 CA LYS A 27 -7.588 9.540 5.937 1.00 0.00 C ATOM 471 C LYS A 27 -6.096 9.542 6.276 1.00 0.00 C ATOM 472 O LYS A 27 -5.431 10.570 6.161 1.00 0.00 O ATOM 473 CB LYS A 27 -8.383 8.453 6.664 1.00 0.00 C ATOM 474 CG LYS A 27 -9.771 8.962 7.060 1.00 0.00 C ATOM 475 CD LYS A 27 -10.514 7.925 7.905 1.00 0.00 C ATOM 476 CE LYS A 27 -11.622 7.250 7.095 1.00 0.00 C ATOM 477 NZ LYS A 27 -12.832 8.103 7.061 1.00 0.00 N ATOM 0 H LYS A 27 -7.322 8.586 4.090 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.995 10.489 6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.482 7.578 6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.841 8.135 7.554 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.675 9.892 7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.349 9.188 6.164 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.812 7.173 8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.943 8.407 8.784 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.274 7.061 6.079 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.864 6.282 7.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.575 7.630 6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.172 8.262 8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.601 9.016 6.621 1.00 0.00 H new ATOM 491 N VAL A 28 -5.614 8.378 6.688 1.00 0.00 N ATOM 492 CA VAL A 28 -4.213 8.233 7.045 1.00 0.00 C ATOM 493 C VAL A 28 -3.400 7.928 5.786 1.00 0.00 C ATOM 494 O VAL A 28 -2.274 8.401 5.640 1.00 0.00 O ATOM 495 CB VAL A 28 -4.058 7.166 8.131 1.00 0.00 C ATOM 496 CG1 VAL A 28 -2.607 7.077 8.609 1.00 0.00 C ATOM 497 CG2 VAL A 28 -5.006 7.432 9.301 1.00 0.00 C ATOM 0 H VAL A 28 -6.169 7.527 6.782 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.827 9.162 7.464 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.327 6.204 7.696 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.524 6.311 9.381 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.963 6.817 7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.299 8.039 9.018 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.875 6.659 10.058 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.784 8.407 9.735 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.036 7.420 8.945 1.00 0.00 H new ATOM 507 N GLY A 29 -4.002 7.139 4.908 1.00 0.00 N ATOM 508 CA GLY A 29 -3.347 6.765 3.666 1.00 0.00 C ATOM 509 C GLY A 29 -4.279 6.973 2.471 1.00 0.00 C ATOM 510 O GLY A 29 -5.495 7.057 2.635 1.00 0.00 O ATOM 0 H GLY A 29 -4.936 6.749 5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.443 7.359 3.534 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.038 5.721 3.714 1.00 0.00 H new ATOM 514 N PRO A 30 -3.658 7.051 1.264 1.00 0.00 N ATOM 515 CA PRO A 30 -4.418 7.247 0.041 1.00 0.00 C ATOM 516 C PRO A 30 -5.134 5.960 -0.372 1.00 0.00 C ATOM 517 O PRO A 30 -4.577 4.870 -0.251 1.00 0.00 O ATOM 518 CB PRO A 30 -3.400 7.716 -0.985 1.00 0.00 C ATOM 519 CG PRO A 30 -2.040 7.322 -0.433 1.00 0.00 C ATOM 520 CD PRO A 30 -2.219 6.955 1.031 1.00 0.00 C ATOM 0 HA PRO A 30 -5.215 7.981 0.155 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.578 7.249 -1.954 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.464 8.794 -1.134 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.631 6.479 -0.991 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.333 8.145 -0.536 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.851 5.949 1.235 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.667 7.634 1.680 1.00 0.00 H new ATOM 528 N ASN A 31 -6.357 6.128 -0.851 1.00 0.00 N ATOM 529 CA ASN A 31 -7.155 4.993 -1.283 1.00 0.00 C ATOM 530 C ASN A 31 -6.397 4.226 -2.369 1.00 0.00 C ATOM 531 O ASN A 31 -6.093 4.778 -3.426 1.00 0.00 O ATOM 532 CB ASN A 31 -8.491 5.450 -1.872 1.00 0.00 C ATOM 533 CG ASN A 31 -9.611 5.345 -0.835 1.00 0.00 C ATOM 534 OD1 ASN A 31 -10.518 4.413 -1.112 1.00 0.00 O flip ATOM 535 ND2 ASN A 31 -9.650 6.063 0.150 1.00 0.00 N flip ATOM 0 H ASN A 31 -6.816 7.034 -0.950 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.342 4.362 -0.414 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.407 6.480 -2.219 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.737 4.840 -2.741 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.920 6.759 0.303 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.412 5.967 0.821 1.00 0.00 H new ATOM 542 N LEU A 32 -6.114 2.966 -2.072 1.00 0.00 N ATOM 543 CA LEU A 32 -5.398 2.119 -3.010 1.00 0.00 C ATOM 544 C LEU A 32 -6.309 1.796 -4.196 1.00 0.00 C ATOM 545 O LEU A 32 -6.043 2.218 -5.321 1.00 0.00 O ATOM 546 CB LEU A 32 -4.849 0.879 -2.301 1.00 0.00 C ATOM 547 CG LEU A 32 -3.940 1.142 -1.098 1.00 0.00 C ATOM 548 CD1 LEU A 32 -3.508 -0.169 -0.440 1.00 0.00 C ATOM 549 CD2 LEU A 32 -2.742 2.007 -1.495 1.00 0.00 C ATOM 0 H LEU A 32 -6.368 2.512 -1.195 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.528 2.642 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.691 0.272 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.294 0.285 -3.027 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.509 1.702 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.863 0.047 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.389 -0.713 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.963 -0.777 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.112 2.179 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.164 1.496 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.096 2.963 -1.881 1.00 0.00 H new ATOM 561 N HIS A 33 -7.364 1.049 -3.905 1.00 0.00 N ATOM 562 CA HIS A 33 -8.315 0.664 -4.934 1.00 0.00 C ATOM 563 C HIS A 33 -7.725 -0.464 -5.782 1.00 0.00 C ATOM 564 O HIS A 33 -7.140 -1.406 -5.249 1.00 0.00 O ATOM 565 CB HIS A 33 -8.733 1.877 -5.768 1.00 0.00 C ATOM 566 CG HIS A 33 -10.074 1.723 -6.446 1.00 0.00 C ATOM 567 ND1 HIS A 33 -10.925 0.661 -6.193 1.00 0.00 N ATOM 568 CD2 HIS A 33 -10.700 2.506 -7.370 1.00 0.00 C ATOM 569 CE1 HIS A 33 -12.011 0.809 -6.936 1.00 0.00 C ATOM 570 NE2 HIS A 33 -11.870 1.953 -7.666 1.00 0.00 N ATOM 0 H HIS A 33 -7.581 0.700 -2.971 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.225 0.284 -4.470 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.762 2.756 -5.124 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.973 2.063 -6.527 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.310 3.421 -7.790 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.860 0.141 -6.960 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -12.551 2.322 -8.330 1.00 0.00 H new ATOM 578 N GLY A 34 -7.899 -0.331 -7.089 1.00 0.00 N ATOM 579 CA GLY A 34 -7.391 -1.328 -8.017 1.00 0.00 C ATOM 580 C GLY A 34 -5.977 -0.974 -8.481 1.00 0.00 C ATOM 581 O GLY A 34 -5.737 -0.798 -9.675 1.00 0.00 O ATOM 0 H GLY A 34 -8.384 0.452 -7.527 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.386 -2.307 -7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.054 -1.399 -8.879 1.00 0.00 H new ATOM 585 N ILE A 35 -5.076 -0.880 -7.514 1.00 0.00 N ATOM 586 CA ILE A 35 -3.692 -0.550 -7.809 1.00 0.00 C ATOM 587 C ILE A 35 -3.094 -1.635 -8.706 1.00 0.00 C ATOM 588 O ILE A 35 -3.770 -2.157 -9.591 1.00 0.00 O ATOM 589 CB ILE A 35 -2.909 -0.320 -6.515 1.00 0.00 C ATOM 590 CG1 ILE A 35 -2.696 -1.634 -5.762 1.00 0.00 C ATOM 591 CG2 ILE A 35 -3.589 0.737 -5.643 1.00 0.00 C ATOM 592 CD1 ILE A 35 -3.610 -1.719 -4.538 1.00 0.00 C ATOM 0 H ILE A 35 -5.278 -1.027 -6.525 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.633 0.388 -8.361 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.923 0.064 -6.776 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.894 -2.475 -6.427 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.655 -1.713 -5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.012 0.881 -4.730 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.645 1.678 -6.189 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.596 0.406 -5.388 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.438 -2.663 -4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.393 -0.891 -3.863 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.651 -1.664 -4.857 1.00 0.00 H new ATOM 604 N PHE A 36 -1.832 -1.944 -8.445 1.00 0.00 N ATOM 605 CA PHE A 36 -1.135 -2.958 -9.218 1.00 0.00 C ATOM 606 C PHE A 36 -1.250 -2.680 -10.718 1.00 0.00 C ATOM 607 O PHE A 36 -2.296 -2.920 -11.319 1.00 0.00 O ATOM 608 CB PHE A 36 -1.806 -4.297 -8.906 1.00 0.00 C ATOM 609 CG PHE A 36 -1.702 -4.718 -7.439 1.00 0.00 C ATOM 610 CD1 PHE A 36 -0.508 -4.647 -6.793 1.00 0.00 C ATOM 611 CD2 PHE A 36 -2.806 -5.165 -6.781 1.00 0.00 C ATOM 612 CE1 PHE A 36 -0.412 -5.038 -5.432 1.00 0.00 C ATOM 613 CE2 PHE A 36 -2.710 -5.556 -5.419 1.00 0.00 C ATOM 614 CZ PHE A 36 -1.515 -5.484 -4.773 1.00 0.00 C ATOM 0 H PHE A 36 -1.274 -1.510 -7.709 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.077 -2.963 -8.957 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.859 -4.237 -9.182 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.356 -5.071 -9.528 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.368 -4.293 -7.316 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.755 -5.222 -7.294 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.537 -4.981 -4.920 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.586 -5.911 -4.896 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.442 -5.781 -3.737 1.00 0.00 H new ATOM 624 N GLY A 37 -0.160 -2.177 -11.279 1.00 0.00 N ATOM 625 CA GLY A 37 -0.125 -1.864 -12.698 1.00 0.00 C ATOM 626 C GLY A 37 0.479 -0.479 -12.939 1.00 0.00 C ATOM 627 O GLY A 37 1.462 -0.345 -13.666 1.00 0.00 O ATOM 0 H GLY A 37 0.705 -1.978 -10.777 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.460 -2.617 -13.226 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.135 -1.901 -13.107 1.00 0.00 H new ATOM 631 N ARG A 38 -0.134 0.516 -12.315 1.00 0.00 N ATOM 632 CA ARG A 38 0.331 1.885 -12.452 1.00 0.00 C ATOM 633 C ARG A 38 1.664 2.069 -11.724 1.00 0.00 C ATOM 634 O ARG A 38 2.182 1.129 -11.124 1.00 0.00 O ATOM 635 CB ARG A 38 -0.691 2.873 -11.887 1.00 0.00 C ATOM 636 CG ARG A 38 -1.779 3.187 -12.916 1.00 0.00 C ATOM 637 CD ARG A 38 -1.233 4.074 -14.037 1.00 0.00 C ATOM 638 NE ARG A 38 -2.220 4.164 -15.137 1.00 0.00 N ATOM 639 CZ ARG A 38 -3.337 4.903 -15.085 1.00 0.00 C ATOM 640 NH1 ARG A 38 -3.616 5.620 -13.988 1.00 0.00 N ATOM 641 NH2 ARG A 38 -4.175 4.925 -16.131 1.00 0.00 N ATOM 0 H ARG A 38 -0.949 0.401 -11.713 1.00 0.00 H new ATOM 0 HA ARG A 38 0.463 2.085 -13.515 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.145 2.457 -10.988 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.187 3.794 -11.593 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.165 2.259 -13.337 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.615 3.687 -12.426 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.015 5.070 -13.651 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.295 3.665 -14.412 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.039 3.630 -15.987 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.978 5.604 -13.192 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.466 6.182 -13.949 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.963 4.379 -16.966 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.025 5.487 -16.092 1.00 0.00 H new ATOM 655 N HIS A 39 2.181 3.286 -11.802 1.00 0.00 N ATOM 656 CA HIS A 39 3.444 3.605 -11.158 1.00 0.00 C ATOM 657 C HIS A 39 3.184 4.440 -9.902 1.00 0.00 C ATOM 658 O HIS A 39 2.585 5.512 -9.978 1.00 0.00 O ATOM 659 CB HIS A 39 4.396 4.292 -12.139 1.00 0.00 C ATOM 660 CG HIS A 39 5.478 3.387 -12.680 1.00 0.00 C ATOM 661 ND1 HIS A 39 6.355 2.564 -12.038 1.00 0.00 N flip ATOM 662 CD2 HIS A 39 5.746 3.265 -14.032 1.00 0.00 C flip ATOM 663 CE1 HIS A 39 7.117 1.970 -12.948 1.00 0.00 C flip ATOM 664 NE2 HIS A 39 6.741 2.404 -14.185 1.00 0.00 N flip ATOM 0 H HIS A 39 1.748 4.063 -12.301 1.00 0.00 H new ATOM 0 HA HIS A 39 3.938 2.685 -10.845 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.818 4.689 -12.973 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.863 5.142 -11.642 1.00 0.00 H new ATOM 0 HD2 HIS A 39 5.231 3.784 -14.827 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.905 1.260 -12.743 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.154 2.116 -15.072 1.00 0.00 H new ATOM 672 N SER A 40 3.646 3.916 -8.776 1.00 0.00 N ATOM 673 CA SER A 40 3.471 4.599 -7.506 1.00 0.00 C ATOM 674 C SER A 40 2.117 5.313 -7.478 1.00 0.00 C ATOM 675 O SER A 40 1.178 4.896 -8.154 1.00 0.00 O ATOM 676 CB SER A 40 4.602 5.599 -7.257 1.00 0.00 C ATOM 677 OG SER A 40 4.457 6.777 -8.045 1.00 0.00 O ATOM 0 H SER A 40 4.141 3.026 -8.717 1.00 0.00 H new ATOM 0 HA SER A 40 3.499 3.854 -6.711 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.621 5.869 -6.201 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.559 5.128 -7.482 1.00 0.00 H new ATOM 0 HG SER A 40 3.940 6.570 -8.851 1.00 0.00 H new ATOM 683 N GLY A 41 2.061 6.375 -6.688 1.00 0.00 N ATOM 684 CA GLY A 41 0.838 7.150 -6.563 1.00 0.00 C ATOM 685 C GLY A 41 0.022 7.100 -7.857 1.00 0.00 C ATOM 686 O GLY A 41 0.551 7.350 -8.939 1.00 0.00 O ATOM 0 H GLY A 41 2.842 6.717 -6.128 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.241 6.763 -5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.082 8.185 -6.323 1.00 0.00 H new ATOM 690 N GLN A 42 -1.253 6.775 -7.702 1.00 0.00 N ATOM 691 CA GLN A 42 -2.147 6.689 -8.844 1.00 0.00 C ATOM 692 C GLN A 42 -3.233 7.763 -8.751 1.00 0.00 C ATOM 693 O GLN A 42 -4.089 7.863 -9.628 1.00 0.00 O ATOM 694 CB GLN A 42 -2.764 5.293 -8.954 1.00 0.00 C ATOM 695 CG GLN A 42 -1.688 4.209 -8.863 1.00 0.00 C ATOM 696 CD GLN A 42 -2.307 2.847 -8.544 1.00 0.00 C ATOM 697 OE1 GLN A 42 -3.425 2.741 -8.067 1.00 0.00 O ATOM 698 NE2 GLN A 42 -1.521 1.814 -8.832 1.00 0.00 N ATOM 0 H GLN A 42 -1.688 6.568 -6.803 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.566 6.866 -9.749 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.496 5.151 -8.159 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.299 5.201 -9.899 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.143 4.153 -9.805 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.965 4.473 -8.092 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.595 1.973 -9.230 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.844 0.863 -8.655 1.00 0.00 H new ATOM 707 N ALA A 43 -3.162 8.539 -7.679 1.00 0.00 N ATOM 708 CA ALA A 43 -4.128 9.601 -7.460 1.00 0.00 C ATOM 709 C ALA A 43 -3.387 10.901 -7.139 1.00 0.00 C ATOM 710 O ALA A 43 -2.266 10.871 -6.632 1.00 0.00 O ATOM 711 CB ALA A 43 -5.094 9.191 -6.347 1.00 0.00 C ATOM 0 H ALA A 43 -2.450 8.453 -6.953 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.720 9.772 -8.359 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.819 9.988 -6.183 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.616 8.279 -6.636 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.536 9.013 -5.428 1.00 0.00 H new ATOM 717 N GLU A 44 -4.042 12.010 -7.447 1.00 0.00 N ATOM 718 CA GLU A 44 -3.459 13.317 -7.197 1.00 0.00 C ATOM 719 C GLU A 44 -4.181 14.008 -6.039 1.00 0.00 C ATOM 720 O GLU A 44 -3.554 14.690 -5.230 1.00 0.00 O ATOM 721 CB GLU A 44 -3.493 14.183 -8.459 1.00 0.00 C ATOM 722 CG GLU A 44 -2.427 13.734 -9.460 1.00 0.00 C ATOM 723 CD GLU A 44 -2.264 14.760 -10.584 1.00 0.00 C ATOM 724 OE1 GLU A 44 -3.173 14.811 -11.441 1.00 0.00 O ATOM 725 OE2 GLU A 44 -1.235 15.468 -10.561 1.00 0.00 O ATOM 0 H GLU A 44 -4.971 12.031 -7.868 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.414 13.180 -6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.479 14.122 -8.920 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.330 15.227 -8.192 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.475 13.597 -8.947 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.703 12.768 -9.882 1.00 0.00 H new ATOM 732 N GLY A 45 -5.490 13.808 -5.996 1.00 0.00 N ATOM 733 CA GLY A 45 -6.304 14.403 -4.950 1.00 0.00 C ATOM 734 C GLY A 45 -5.567 14.395 -3.609 1.00 0.00 C ATOM 735 O GLY A 45 -5.426 15.436 -2.968 1.00 0.00 O ATOM 0 H GLY A 45 -6.007 13.242 -6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.560 15.427 -5.222 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.241 13.854 -4.857 1.00 0.00 H new ATOM 739 N TYR A 46 -5.115 13.210 -3.226 1.00 0.00 N ATOM 740 CA TYR A 46 -4.395 13.053 -1.973 1.00 0.00 C ATOM 741 C TYR A 46 -2.989 13.647 -2.071 1.00 0.00 C ATOM 742 O TYR A 46 -2.246 13.341 -3.002 1.00 0.00 O ATOM 743 CB TYR A 46 -4.285 11.546 -1.737 1.00 0.00 C ATOM 744 CG TYR A 46 -3.964 11.165 -0.290 1.00 0.00 C ATOM 745 CD1 TYR A 46 -2.871 11.720 0.344 1.00 0.00 C ATOM 746 CD2 TYR A 46 -4.768 10.265 0.381 1.00 0.00 C ATOM 747 CE1 TYR A 46 -2.569 11.361 1.705 1.00 0.00 C ATOM 748 CE2 TYR A 46 -4.466 9.907 1.742 1.00 0.00 C ATOM 749 CZ TYR A 46 -3.382 10.472 2.337 1.00 0.00 C ATOM 750 OH TYR A 46 -3.097 10.134 3.623 1.00 0.00 O ATOM 0 H TYR A 46 -5.233 12.350 -3.761 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.915 13.566 -1.164 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.224 11.074 -2.027 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.510 11.142 -2.389 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.242 12.424 -0.181 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.623 9.830 -0.115 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.717 11.788 2.213 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.087 9.205 2.279 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.904 10.225 4.172 1.00 0.00 H new ATOM 760 N SER A 47 -2.666 14.485 -1.097 1.00 0.00 N ATOM 761 CA SER A 47 -1.361 15.124 -1.062 1.00 0.00 C ATOM 762 C SER A 47 -0.292 14.108 -0.654 1.00 0.00 C ATOM 763 O SER A 47 0.040 13.990 0.525 1.00 0.00 O ATOM 764 CB SER A 47 -1.357 16.314 -0.100 1.00 0.00 C ATOM 765 OG SER A 47 -1.703 15.929 1.227 1.00 0.00 O ATOM 0 H SER A 47 -3.285 14.736 -0.326 1.00 0.00 H new ATOM 0 HA SER A 47 -1.136 15.498 -2.061 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.369 16.775 -0.098 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.060 17.068 -0.454 1.00 0.00 H new ATOM 0 HG SER A 47 -1.197 15.128 1.477 1.00 0.00 H new ATOM 771 N TYR A 48 0.218 13.401 -1.651 1.00 0.00 N ATOM 772 CA TYR A 48 1.243 12.400 -1.411 1.00 0.00 C ATOM 773 C TYR A 48 2.507 13.037 -0.830 1.00 0.00 C ATOM 774 O TYR A 48 2.553 14.247 -0.613 1.00 0.00 O ATOM 775 CB TYR A 48 1.572 11.797 -2.778 1.00 0.00 C ATOM 776 CG TYR A 48 0.775 10.534 -3.109 1.00 0.00 C ATOM 777 CD1 TYR A 48 -0.604 10.554 -3.053 1.00 0.00 C ATOM 778 CD2 TYR A 48 1.434 9.374 -3.464 1.00 0.00 C ATOM 779 CE1 TYR A 48 -1.354 9.365 -3.365 1.00 0.00 C ATOM 780 CE2 TYR A 48 0.684 8.185 -3.775 1.00 0.00 C ATOM 781 CZ TYR A 48 -0.673 8.239 -3.710 1.00 0.00 C ATOM 782 OH TYR A 48 -1.382 7.117 -4.005 1.00 0.00 O ATOM 0 H TYR A 48 -0.060 13.502 -2.627 1.00 0.00 H new ATOM 0 HA TYR A 48 0.891 11.654 -0.699 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.384 12.545 -3.548 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.636 11.563 -2.814 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.120 11.461 -2.775 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.513 9.358 -3.508 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.433 9.367 -3.326 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.188 7.271 -4.054 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.251 7.369 -4.382 1.00 0.00 H new ATOM 792 N THR A 49 3.503 12.195 -0.596 1.00 0.00 N ATOM 793 CA THR A 49 4.764 12.661 -0.045 1.00 0.00 C ATOM 794 C THR A 49 5.828 12.739 -1.142 1.00 0.00 C ATOM 795 O THR A 49 5.568 12.386 -2.291 1.00 0.00 O ATOM 796 CB THR A 49 5.147 11.733 1.109 1.00 0.00 C ATOM 797 OG1 THR A 49 5.307 10.458 0.492 1.00 0.00 O ATOM 798 CG2 THR A 49 4.000 11.526 2.100 1.00 0.00 C ATOM 0 H THR A 49 3.462 11.192 -0.778 1.00 0.00 H new ATOM 0 HA THR A 49 4.674 13.673 0.350 1.00 0.00 H new ATOM 0 HB THR A 49 6.010 12.144 1.633 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.558 9.796 1.170 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.325 10.860 2.899 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.708 12.487 2.525 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.148 11.084 1.583 1.00 0.00 H new ATOM 806 N ASP A 50 7.005 13.203 -0.747 1.00 0.00 N ATOM 807 CA ASP A 50 8.110 13.331 -1.682 1.00 0.00 C ATOM 808 C ASP A 50 8.972 12.069 -1.623 1.00 0.00 C ATOM 809 O ASP A 50 10.144 12.095 -1.995 1.00 0.00 O ATOM 810 CB ASP A 50 8.997 14.526 -1.326 1.00 0.00 C ATOM 811 CG ASP A 50 9.009 15.654 -2.359 1.00 0.00 C ATOM 812 OD1 ASP A 50 7.913 16.193 -2.623 1.00 0.00 O ATOM 813 OD2 ASP A 50 10.114 15.951 -2.862 1.00 0.00 O ATOM 0 H ASP A 50 7.217 13.495 0.207 1.00 0.00 H new ATOM 0 HA ASP A 50 7.693 13.475 -2.679 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.666 14.933 -0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.018 14.172 -1.185 1.00 0.00 H new ATOM 818 N ALA A 51 8.357 10.993 -1.154 1.00 0.00 N ATOM 819 CA ALA A 51 9.054 9.722 -1.042 1.00 0.00 C ATOM 820 C ALA A 51 8.405 8.705 -1.983 1.00 0.00 C ATOM 821 O ALA A 51 9.067 8.161 -2.866 1.00 0.00 O ATOM 822 CB ALA A 51 9.039 9.259 0.417 1.00 0.00 C ATOM 0 H ALA A 51 7.384 10.975 -0.847 1.00 0.00 H new ATOM 0 HA ALA A 51 10.097 9.828 -1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.561 8.306 0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.537 10.002 1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.008 9.138 0.750 1.00 0.00 H new ATOM 828 N ASN A 52 7.119 8.479 -1.762 1.00 0.00 N ATOM 829 CA ASN A 52 6.374 7.537 -2.580 1.00 0.00 C ATOM 830 C ASN A 52 6.447 7.970 -4.045 1.00 0.00 C ATOM 831 O ASN A 52 7.171 7.370 -4.838 1.00 0.00 O ATOM 832 CB ASN A 52 4.899 7.499 -2.172 1.00 0.00 C ATOM 833 CG ASN A 52 4.478 6.084 -1.769 1.00 0.00 C ATOM 834 OD1 ASN A 52 4.339 5.193 -2.590 1.00 0.00 O ATOM 835 ND2 ASN A 52 4.284 5.929 -0.463 1.00 0.00 N ATOM 0 H ASN A 52 6.574 8.932 -1.028 1.00 0.00 H new ATOM 0 HA ASN A 52 6.813 6.549 -2.440 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.730 8.183 -1.340 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.280 7.845 -3.000 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.001 5.021 -0.094 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.418 6.718 0.170 1.00 0.00 H new ATOM 842 N ILE A 53 5.689 9.010 -4.361 1.00 0.00 N ATOM 843 CA ILE A 53 5.659 9.531 -5.717 1.00 0.00 C ATOM 844 C ILE A 53 7.079 9.539 -6.286 1.00 0.00 C ATOM 845 O ILE A 53 7.279 9.268 -7.470 1.00 0.00 O ATOM 846 CB ILE A 53 4.975 10.899 -5.751 1.00 0.00 C ATOM 847 CG1 ILE A 53 3.462 10.751 -5.929 1.00 0.00 C ATOM 848 CG2 ILE A 53 5.594 11.795 -6.825 1.00 0.00 C ATOM 849 CD1 ILE A 53 2.734 12.029 -5.509 1.00 0.00 C ATOM 0 H ILE A 53 5.091 9.506 -3.701 1.00 0.00 H new ATOM 0 HA ILE A 53 5.060 8.886 -6.360 1.00 0.00 H new ATOM 0 HB ILE A 53 5.140 11.388 -4.791 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.235 10.524 -6.971 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.103 9.911 -5.334 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.089 12.761 -6.828 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.653 11.939 -6.612 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.481 11.324 -7.801 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.661 11.898 -5.645 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.944 12.239 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.078 12.862 -6.122 1.00 0.00 H new ATOM 861 N LYS A 54 8.029 9.853 -5.418 1.00 0.00 N ATOM 862 CA LYS A 54 9.425 9.900 -5.820 1.00 0.00 C ATOM 863 C LYS A 54 10.028 8.497 -5.719 1.00 0.00 C ATOM 864 O LYS A 54 11.119 8.324 -5.178 1.00 0.00 O ATOM 865 CB LYS A 54 10.181 10.954 -5.008 1.00 0.00 C ATOM 866 CG LYS A 54 9.532 12.332 -5.161 1.00 0.00 C ATOM 867 CD LYS A 54 10.073 13.059 -6.393 1.00 0.00 C ATOM 868 CE LYS A 54 9.614 14.519 -6.414 1.00 0.00 C ATOM 869 NZ LYS A 54 10.713 15.414 -5.989 1.00 0.00 N ATOM 0 H LYS A 54 7.860 10.077 -4.437 1.00 0.00 H new ATOM 0 HA LYS A 54 9.511 10.210 -6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.193 10.668 -3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.219 10.998 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.451 12.221 -5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.723 12.929 -4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.162 13.016 -6.396 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.732 12.554 -7.297 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.285 14.789 -7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.757 14.646 -5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.573 16.357 -6.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.717 15.490 -4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.622 15.025 -6.311 1.00 0.00 H new ATOM 883 N LYS A 55 9.291 7.532 -6.248 1.00 0.00 N ATOM 884 CA LYS A 55 9.739 6.150 -6.224 1.00 0.00 C ATOM 885 C LYS A 55 9.389 5.482 -7.556 1.00 0.00 C ATOM 886 O LYS A 55 10.228 4.813 -8.158 1.00 0.00 O ATOM 887 CB LYS A 55 9.171 5.423 -5.004 1.00 0.00 C ATOM 888 CG LYS A 55 10.011 4.192 -4.658 1.00 0.00 C ATOM 889 CD LYS A 55 11.353 4.598 -4.046 1.00 0.00 C ATOM 890 CE LYS A 55 12.506 4.307 -5.009 1.00 0.00 C ATOM 891 NZ LYS A 55 12.640 2.849 -5.230 1.00 0.00 N ATOM 0 H LYS A 55 8.387 7.680 -6.696 1.00 0.00 H new ATOM 0 HA LYS A 55 10.823 6.103 -6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.146 6.102 -4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.142 5.122 -5.202 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.465 3.560 -3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.182 3.599 -5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.338 5.660 -3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.509 4.058 -3.112 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.330 4.810 -5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.436 4.707 -4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.629 2.622 -5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.359 2.340 -4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.027 2.560 -6.019 1.00 0.00 H new ATOM 905 N ASN A 56 8.149 5.686 -7.976 1.00 0.00 N ATOM 906 CA ASN A 56 7.678 5.111 -9.224 1.00 0.00 C ATOM 907 C ASN A 56 7.839 3.591 -9.174 1.00 0.00 C ATOM 908 O ASN A 56 8.669 3.026 -9.886 1.00 0.00 O ATOM 909 CB ASN A 56 8.490 5.633 -10.412 1.00 0.00 C ATOM 910 CG ASN A 56 7.641 5.668 -11.684 1.00 0.00 C ATOM 911 OD1 ASN A 56 7.811 4.876 -12.596 1.00 0.00 O ATOM 912 ND2 ASN A 56 6.720 6.627 -11.693 1.00 0.00 N ATOM 0 H ASN A 56 7.456 6.242 -7.474 1.00 0.00 H new ATOM 0 HA ASN A 56 6.632 5.391 -9.350 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.862 6.634 -10.191 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.361 4.997 -10.569 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.102 6.733 -12.497 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.631 7.257 -10.895 1.00 0.00 H new ATOM 919 N VAL A 57 7.032 2.970 -8.326 1.00 0.00 N ATOM 920 CA VAL A 57 7.074 1.526 -8.173 1.00 0.00 C ATOM 921 C VAL A 57 5.828 0.913 -8.814 1.00 0.00 C ATOM 922 O VAL A 57 4.731 1.009 -8.265 1.00 0.00 O ATOM 923 CB VAL A 57 7.228 1.160 -6.696 1.00 0.00 C ATOM 924 CG1 VAL A 57 8.614 0.574 -6.417 1.00 0.00 C ATOM 925 CG2 VAL A 57 6.954 2.369 -5.800 1.00 0.00 C ATOM 0 H VAL A 57 6.345 3.441 -7.738 1.00 0.00 H new ATOM 0 HA VAL A 57 7.941 1.113 -8.688 1.00 0.00 H new ATOM 0 HB VAL A 57 6.488 0.395 -6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.697 0.323 -5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.756 -0.325 -7.016 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.378 1.307 -6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.070 2.081 -4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.659 3.165 -6.038 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.937 2.723 -5.968 1.00 0.00 H new ATOM 935 N LEU A 58 6.037 0.296 -9.968 1.00 0.00 N ATOM 936 CA LEU A 58 4.943 -0.333 -10.690 1.00 0.00 C ATOM 937 C LEU A 58 4.283 -1.382 -9.793 1.00 0.00 C ATOM 938 O LEU A 58 4.570 -2.572 -9.909 1.00 0.00 O ATOM 939 CB LEU A 58 5.434 -0.888 -12.028 1.00 0.00 C ATOM 940 CG LEU A 58 4.436 -0.827 -13.186 1.00 0.00 C ATOM 941 CD1 LEU A 58 4.723 0.370 -14.094 1.00 0.00 C ATOM 942 CD2 LEU A 58 4.418 -2.145 -13.964 1.00 0.00 C ATOM 0 H LEU A 58 6.948 0.218 -10.421 1.00 0.00 H new ATOM 0 HA LEU A 58 4.177 0.402 -10.938 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.331 -0.341 -12.318 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.728 -1.927 -11.882 1.00 0.00 H new ATOM 0 HG LEU A 58 3.438 -0.684 -12.770 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.999 0.390 -14.909 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.645 1.291 -13.517 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.729 0.283 -14.504 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.700 -2.075 -14.782 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.411 -2.342 -14.368 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.130 -2.957 -13.297 1.00 0.00 H new ATOM 954 N TRP A 59 3.409 -0.902 -8.920 1.00 0.00 N ATOM 955 CA TRP A 59 2.705 -1.784 -8.004 1.00 0.00 C ATOM 956 C TRP A 59 2.341 -3.061 -8.764 1.00 0.00 C ATOM 957 O TRP A 59 1.876 -2.999 -9.901 1.00 0.00 O ATOM 958 CB TRP A 59 1.490 -1.083 -7.394 1.00 0.00 C ATOM 959 CG TRP A 59 1.813 0.253 -6.723 1.00 0.00 C ATOM 960 CD1 TRP A 59 1.299 1.460 -6.996 1.00 0.00 C ATOM 961 CD2 TRP A 59 2.750 0.470 -5.647 1.00 0.00 C ATOM 962 NE1 TRP A 59 1.835 2.435 -6.179 1.00 0.00 N ATOM 963 CE2 TRP A 59 2.745 1.813 -5.332 1.00 0.00 C ATOM 964 CE3 TRP A 59 3.575 -0.440 -4.962 1.00 0.00 C ATOM 965 CZ2 TRP A 59 3.545 2.368 -4.326 1.00 0.00 C ATOM 966 CZ3 TRP A 59 4.369 0.131 -3.959 1.00 0.00 C ATOM 967 CH2 TRP A 59 4.375 1.481 -3.631 1.00 0.00 C ATOM 0 H TRP A 59 3.172 0.086 -8.828 1.00 0.00 H new ATOM 0 HA TRP A 59 3.340 -2.051 -7.160 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.750 -0.915 -8.176 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.032 -1.745 -6.659 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.558 1.647 -7.759 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.606 3.429 -6.194 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.595 -1.495 -5.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.523 3.424 -4.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 5.022 -0.524 -3.402 1.00 0.00 H new ATOM 0 HH2 TRP A 59 5.018 1.845 -2.843 1.00 0.00 H new ATOM 978 N ASP A 60 2.566 -4.188 -8.105 1.00 0.00 N ATOM 979 CA ASP A 60 2.267 -5.477 -8.704 1.00 0.00 C ATOM 980 C ASP A 60 2.004 -6.500 -7.596 1.00 0.00 C ATOM 981 O ASP A 60 1.635 -6.133 -6.482 1.00 0.00 O ATOM 982 CB ASP A 60 3.442 -5.981 -9.543 1.00 0.00 C ATOM 983 CG ASP A 60 3.054 -6.811 -10.768 1.00 0.00 C ATOM 984 OD1 ASP A 60 1.913 -6.623 -11.242 1.00 0.00 O ATOM 985 OD2 ASP A 60 3.907 -7.614 -11.203 1.00 0.00 O ATOM 0 H ASP A 60 2.952 -4.235 -7.162 1.00 0.00 H new ATOM 0 HA ASP A 60 1.393 -5.357 -9.344 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.026 -5.123 -9.875 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.092 -6.582 -8.907 1.00 0.00 H new ATOM 990 N GLU A 61 2.204 -7.764 -7.942 1.00 0.00 N ATOM 991 CA GLU A 61 1.994 -8.842 -6.992 1.00 0.00 C ATOM 992 C GLU A 61 3.234 -9.027 -6.115 1.00 0.00 C ATOM 993 O GLU A 61 3.133 -9.492 -4.981 1.00 0.00 O ATOM 994 CB GLU A 61 1.632 -10.143 -7.710 1.00 0.00 C ATOM 995 CG GLU A 61 1.031 -11.159 -6.736 1.00 0.00 C ATOM 996 CD GLU A 61 0.546 -12.408 -7.476 1.00 0.00 C ATOM 997 OE1 GLU A 61 -0.623 -12.387 -7.918 1.00 0.00 O ATOM 998 OE2 GLU A 61 1.356 -13.354 -7.582 1.00 0.00 O ATOM 0 H GLU A 61 2.509 -8.065 -8.868 1.00 0.00 H new ATOM 0 HA GLU A 61 1.155 -8.574 -6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.921 -9.935 -8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.522 -10.564 -8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.776 -11.439 -5.992 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.199 -10.704 -6.198 1.00 0.00 H new ATOM 1005 N ASN A 62 4.376 -8.652 -6.674 1.00 0.00 N ATOM 1006 CA ASN A 62 5.634 -8.771 -5.957 1.00 0.00 C ATOM 1007 C ASN A 62 6.191 -7.373 -5.679 1.00 0.00 C ATOM 1008 O ASN A 62 6.773 -7.132 -4.622 1.00 0.00 O ATOM 1009 CB ASN A 62 6.669 -9.536 -6.784 1.00 0.00 C ATOM 1010 CG ASN A 62 6.661 -11.025 -6.432 1.00 0.00 C ATOM 1011 OD1 ASN A 62 5.463 -11.495 -6.098 1.00 0.00 O flip ATOM 1012 ND2 ASN A 62 7.676 -11.702 -6.461 1.00 0.00 N flip ATOM 0 H ASN A 62 4.456 -8.266 -7.615 1.00 0.00 H new ATOM 0 HA ASN A 62 5.444 -9.310 -5.029 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.457 -9.409 -7.846 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.661 -9.122 -6.605 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.565 -11.278 -6.727 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.636 -12.692 -6.220 1.00 0.00 H new ATOM 1019 N ASN A 63 5.993 -6.489 -6.645 1.00 0.00 N ATOM 1020 CA ASN A 63 6.468 -5.122 -6.517 1.00 0.00 C ATOM 1021 C ASN A 63 6.106 -4.588 -5.129 1.00 0.00 C ATOM 1022 O ASN A 63 6.987 -4.260 -4.337 1.00 0.00 O ATOM 1023 CB ASN A 63 5.814 -4.211 -7.558 1.00 0.00 C ATOM 1024 CG ASN A 63 6.726 -3.034 -7.907 1.00 0.00 C ATOM 1025 OD1 ASN A 63 6.218 -1.845 -7.594 1.00 0.00 O flip ATOM 1026 ND2 ASN A 63 7.818 -3.194 -8.426 1.00 0.00 N flip ATOM 0 H ASN A 63 5.510 -6.693 -7.520 1.00 0.00 H new ATOM 0 HA ASN A 63 7.548 -5.126 -6.668 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.592 -4.783 -8.459 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.864 -3.838 -7.175 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.148 -4.135 -8.640 1.00 0.00 H new ATOM 0 HD22 ASN A 63 8.401 -2.387 -8.646 1.00 0.00 H new ATOM 1033 N MET A 64 4.807 -4.519 -4.877 1.00 0.00 N ATOM 1034 CA MET A 64 4.317 -4.031 -3.599 1.00 0.00 C ATOM 1035 C MET A 64 4.830 -4.899 -2.448 1.00 0.00 C ATOM 1036 O MET A 64 5.182 -4.385 -1.388 1.00 0.00 O ATOM 1037 CB MET A 64 2.787 -4.038 -3.602 1.00 0.00 C ATOM 1038 CG MET A 64 2.232 -2.689 -3.142 1.00 0.00 C ATOM 1039 SD MET A 64 0.812 -2.245 -4.129 1.00 0.00 S ATOM 1040 CE MET A 64 -0.486 -2.992 -3.159 1.00 0.00 C ATOM 0 H MET A 64 4.079 -4.793 -5.536 1.00 0.00 H new ATOM 0 HA MET A 64 4.684 -3.015 -3.454 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.423 -4.262 -4.605 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.422 -4.828 -2.946 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.952 -2.741 -2.090 1.00 0.00 H new ATOM 0 HG3 MET A 64 3.001 -1.921 -3.230 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.372 -3.127 -3.779 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.152 -3.961 -2.788 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.728 -2.345 -2.316 1.00 0.00 H new ATOM 1050 N SER A 65 4.856 -6.200 -2.697 1.00 0.00 N ATOM 1051 CA SER A 65 5.320 -7.144 -1.694 1.00 0.00 C ATOM 1052 C SER A 65 6.684 -6.707 -1.156 1.00 0.00 C ATOM 1053 O SER A 65 6.911 -6.720 0.053 1.00 0.00 O ATOM 1054 CB SER A 65 5.405 -8.560 -2.269 1.00 0.00 C ATOM 1055 OG SER A 65 4.189 -8.955 -2.897 1.00 0.00 O ATOM 0 H SER A 65 4.564 -6.623 -3.578 1.00 0.00 H new ATOM 0 HA SER A 65 4.600 -7.155 -0.875 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.219 -8.609 -2.992 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.645 -9.262 -1.470 1.00 0.00 H new ATOM 0 HG SER A 65 4.115 -8.518 -3.771 1.00 0.00 H new ATOM 1061 N GLU A 66 7.557 -6.332 -2.079 1.00 0.00 N ATOM 1062 CA GLU A 66 8.892 -5.892 -1.712 1.00 0.00 C ATOM 1063 C GLU A 66 8.816 -4.646 -0.828 1.00 0.00 C ATOM 1064 O GLU A 66 9.526 -4.546 0.172 1.00 0.00 O ATOM 1065 CB GLU A 66 9.744 -5.631 -2.956 1.00 0.00 C ATOM 1066 CG GLU A 66 11.232 -5.587 -2.601 1.00 0.00 C ATOM 1067 CD GLU A 66 11.602 -4.252 -1.951 1.00 0.00 C ATOM 1068 OE1 GLU A 66 10.953 -3.246 -2.311 1.00 0.00 O ATOM 1069 OE2 GLU A 66 12.524 -4.268 -1.107 1.00 0.00 O ATOM 0 H GLU A 66 7.366 -6.324 -3.081 1.00 0.00 H new ATOM 0 HA GLU A 66 9.372 -6.688 -1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.565 -6.413 -3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.447 -4.687 -3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.472 -6.405 -1.922 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.829 -5.735 -3.501 1.00 0.00 H new ATOM 1076 N TYR A 67 7.949 -3.728 -1.227 1.00 0.00 N ATOM 1077 CA TYR A 67 7.771 -2.492 -0.483 1.00 0.00 C ATOM 1078 C TYR A 67 7.081 -2.754 0.858 1.00 0.00 C ATOM 1079 O TYR A 67 7.598 -2.379 1.909 1.00 0.00 O ATOM 1080 CB TYR A 67 6.866 -1.608 -1.344 1.00 0.00 C ATOM 1081 CG TYR A 67 6.119 -0.530 -0.557 1.00 0.00 C ATOM 1082 CD1 TYR A 67 6.752 0.653 -0.235 1.00 0.00 C ATOM 1083 CD2 TYR A 67 4.811 -0.740 -0.169 1.00 0.00 C ATOM 1084 CE1 TYR A 67 6.049 1.668 0.506 1.00 0.00 C ATOM 1085 CE2 TYR A 67 4.107 0.275 0.572 1.00 0.00 C ATOM 1086 CZ TYR A 67 4.761 1.429 0.873 1.00 0.00 C ATOM 1087 OH TYR A 67 4.097 2.387 1.572 1.00 0.00 O ATOM 0 H TYR A 67 7.361 -3.815 -2.056 1.00 0.00 H new ATOM 0 HA TYR A 67 8.735 -2.027 -0.275 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.470 -1.128 -2.114 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.139 -2.239 -1.856 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.775 0.818 -0.539 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.315 -1.666 -0.421 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.533 2.598 0.765 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.083 0.123 0.881 1.00 0.00 H new ATOM 0 HH TYR A 67 3.379 1.972 2.095 1.00 0.00 H new ATOM 1097 N LEU A 68 5.925 -3.397 0.777 1.00 0.00 N ATOM 1098 CA LEU A 68 5.160 -3.713 1.971 1.00 0.00 C ATOM 1099 C LEU A 68 6.094 -4.305 3.028 1.00 0.00 C ATOM 1100 O LEU A 68 5.947 -4.027 4.217 1.00 0.00 O ATOM 1101 CB LEU A 68 3.974 -4.616 1.623 1.00 0.00 C ATOM 1102 CG LEU A 68 2.910 -4.003 0.711 1.00 0.00 C ATOM 1103 CD1 LEU A 68 1.863 -5.045 0.314 1.00 0.00 C ATOM 1104 CD2 LEU A 68 2.275 -2.771 1.359 1.00 0.00 C ATOM 0 H LEU A 68 5.500 -3.707 -0.097 1.00 0.00 H new ATOM 0 HA LEU A 68 4.728 -2.808 2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.357 -5.518 1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.494 -4.926 2.551 1.00 0.00 H new ATOM 0 HG LEU A 68 3.397 -3.669 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.118 -4.584 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.348 -5.864 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.376 -5.431 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.522 -2.355 0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.805 -3.056 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.044 -2.023 1.550 1.00 0.00 H new ATOM 1116 N THR A 69 7.035 -5.110 2.557 1.00 0.00 N ATOM 1117 CA THR A 69 7.993 -5.743 3.447 1.00 0.00 C ATOM 1118 C THR A 69 8.848 -4.686 4.150 1.00 0.00 C ATOM 1119 O THR A 69 9.043 -4.747 5.363 1.00 0.00 O ATOM 1120 CB THR A 69 8.814 -6.740 2.626 1.00 0.00 C ATOM 1121 OG1 THR A 69 8.335 -8.014 3.048 1.00 0.00 O ATOM 1122 CG2 THR A 69 10.292 -6.748 3.022 1.00 0.00 C ATOM 0 H THR A 69 7.154 -5.338 1.570 1.00 0.00 H new ATOM 0 HA THR A 69 7.490 -6.291 4.243 1.00 0.00 H new ATOM 0 HB THR A 69 8.723 -6.499 1.567 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.813 -8.720 2.564 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.829 -7.472 2.409 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.716 -5.756 2.866 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.386 -7.022 4.073 1.00 0.00 H new ATOM 1130 N ASN A 70 9.334 -3.742 3.358 1.00 0.00 N ATOM 1131 CA ASN A 70 10.163 -2.673 3.889 1.00 0.00 C ATOM 1132 C ASN A 70 9.789 -1.356 3.205 1.00 0.00 C ATOM 1133 O ASN A 70 10.541 -0.849 2.374 1.00 0.00 O ATOM 1134 CB ASN A 70 11.645 -2.941 3.621 1.00 0.00 C ATOM 1135 CG ASN A 70 12.521 -2.306 4.703 1.00 0.00 C ATOM 1136 OD1 ASN A 70 12.116 -1.400 5.413 1.00 0.00 O ATOM 1137 ND2 ASN A 70 13.741 -2.829 4.787 1.00 0.00 N ATOM 0 H ASN A 70 9.170 -3.695 2.352 1.00 0.00 H new ATOM 0 HA ASN A 70 9.995 -2.618 4.965 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.824 -4.016 3.588 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.920 -2.542 2.645 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.402 -2.473 5.477 1.00 0.00 H new ATOM 0 HD22 ASN A 70 14.015 -3.586 4.161 1.00 0.00 H new ATOM 1144 N PRO A 71 8.597 -0.827 3.590 1.00 0.00 N ATOM 1145 CA PRO A 71 8.115 0.421 3.024 1.00 0.00 C ATOM 1146 C PRO A 71 8.873 1.617 3.605 1.00 0.00 C ATOM 1147 O PRO A 71 8.997 2.599 2.896 1.00 0.00 O ATOM 1148 CB PRO A 71 6.629 0.449 3.342 1.00 0.00 C ATOM 1149 CG PRO A 71 6.425 -0.550 4.469 1.00 0.00 C ATOM 1150 CD PRO A 71 7.681 -1.400 4.572 1.00 0.00 C ATOM 0 HA PRO A 71 8.281 0.486 1.949 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.313 1.448 3.643 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.037 0.178 2.468 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.237 -0.032 5.409 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.555 -1.177 4.271 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.103 -1.363 5.576 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.470 -2.447 4.353 1.00 0.00 H new HETATM 1158 N M3L A 72 9.319 1.449 4.840 1.00 0.00 N HETATM 1159 CA M3L A 72 10.036 2.518 5.566 1.00 0.00 C HETATM 1160 CB M3L A 72 9.975 2.215 7.077 1.00 0.00 C HETATM 1161 CG M3L A 72 9.699 3.580 7.709 1.00 0.00 C HETATM 1162 CD M3L A 72 10.159 3.649 9.177 1.00 0.00 C HETATM 1163 CE M3L A 72 9.367 4.807 9.816 1.00 0.00 C HETATM 1164 NZ M3L A 72 8.202 4.327 10.575 1.00 0.00 N HETATM 1165 C M3L A 72 11.483 2.724 5.207 1.00 0.00 C HETATM 1166 O M3L A 72 12.033 3.813 5.367 1.00 0.00 O HETATM 1167 CM1 M3L A 72 7.519 5.598 10.916 1.00 0.00 C HETATM 1168 CM2 M3L A 72 7.372 3.479 9.695 1.00 0.00 C HETATM 1169 CM3 M3L A 72 8.610 3.578 11.775 1.00 0.00 C HETATM 0 HM33 M3L A 72 9.208 2.716 11.480 1.00 0.00 H new HETATM 0 HM32 M3L A 72 9.201 4.224 12.424 1.00 0.00 H new HETATM 0 HM31 M3L A 72 7.724 3.239 12.311 1.00 0.00 H new HETATM 0 HM23 M3L A 72 7.037 4.063 8.838 1.00 0.00 H new HETATM 0 HM22 M3L A 72 7.960 2.629 9.348 1.00 0.00 H new HETATM 0 HM21 M3L A 72 6.505 3.118 10.249 1.00 0.00 H new HETATM 0 HM13 M3L A 72 8.188 6.223 11.507 1.00 0.00 H new HETATM 0 HM12 M3L A 72 7.247 6.122 10.000 1.00 0.00 H new HETATM 0 HM11 M3L A 72 6.619 5.384 11.492 1.00 0.00 H new HETATM 0 HG3 M3L A 72 10.209 4.353 7.134 1.00 0.00 H new HETATM 0 HG2 M3L A 72 8.632 3.794 7.655 1.00 0.00 H new HETATM 0 HE3 M3L A 72 10.023 5.372 10.478 1.00 0.00 H new HETATM 0 HE2 M3L A 72 9.034 5.492 9.036 1.00 0.00 H new HETATM 0 HD3 M3L A 72 9.961 2.709 9.693 1.00 0.00 H new HETATM 0 HD2 M3L A 72 11.232 3.828 9.242 1.00 0.00 H new HETATM 0 HB3 M3L A 72 9.187 1.499 7.310 1.00 0.00 H new HETATM 0 HB2 M3L A 72 10.911 1.788 7.438 1.00 0.00 H new HETATM 0 HA M3L A 72 9.525 3.435 5.273 1.00 0.00 H new HETATM 0 H M3L A 72 8.890 0.681 5.356 1.00 0.00 H new ATOM 1189 N LYS A 73 12.049 1.677 4.625 1.00 0.00 N ATOM 1190 CA LYS A 73 13.409 1.746 4.118 1.00 0.00 C ATOM 1191 C LYS A 73 13.374 1.980 2.607 1.00 0.00 C ATOM 1192 O LYS A 73 13.818 3.022 2.126 1.00 0.00 O ATOM 1193 CB LYS A 73 14.198 0.502 4.530 1.00 0.00 C ATOM 1194 CG LYS A 73 15.689 0.674 4.230 1.00 0.00 C ATOM 1195 CD LYS A 73 16.053 0.050 2.881 1.00 0.00 C ATOM 1196 CE LYS A 73 17.027 0.942 2.109 1.00 0.00 C ATOM 1197 NZ LYS A 73 17.289 0.382 0.765 1.00 0.00 N ATOM 0 H LYS A 73 11.590 0.776 4.493 1.00 0.00 H new ATOM 0 HA LYS A 73 13.938 2.591 4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.057 0.313 5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.814 -0.369 3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.942 1.734 4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.279 0.209 5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.500 -0.931 3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.149 -0.103 2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.614 1.947 2.017 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.963 1.031 2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.952 1.000 0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 17.703 -0.567 0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 16.396 0.319 0.235 1.00 0.00 H new ATOM 1211 N TYR A 74 12.842 0.994 1.900 1.00 0.00 N ATOM 1212 CA TYR A 74 12.743 1.079 0.453 1.00 0.00 C ATOM 1213 C TYR A 74 12.404 2.504 0.009 1.00 0.00 C ATOM 1214 O TYR A 74 13.054 3.052 -0.880 1.00 0.00 O ATOM 1215 CB TYR A 74 11.598 0.147 0.052 1.00 0.00 C ATOM 1216 CG TYR A 74 11.444 -0.036 -1.459 1.00 0.00 C ATOM 1217 CD1 TYR A 74 12.439 -0.660 -2.183 1.00 0.00 C ATOM 1218 CD2 TYR A 74 10.309 0.422 -2.097 1.00 0.00 C ATOM 1219 CE1 TYR A 74 12.295 -0.833 -3.605 1.00 0.00 C ATOM 1220 CE2 TYR A 74 10.164 0.249 -3.520 1.00 0.00 C ATOM 1221 CZ TYR A 74 11.164 -0.370 -4.203 1.00 0.00 C ATOM 1222 OH TYR A 74 11.027 -0.533 -5.547 1.00 0.00 O ATOM 0 H TYR A 74 12.475 0.132 2.303 1.00 0.00 H new ATOM 0 HA TYR A 74 13.689 0.803 -0.013 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.760 -0.828 0.511 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.665 0.539 0.457 1.00 0.00 H new ATOM 0 HD1 TYR A 74 13.326 -1.019 -1.683 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.530 0.910 -1.530 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.067 -1.319 -4.184 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.282 0.603 -4.032 1.00 0.00 H new ATOM 0 HH TYR A 74 11.504 -1.342 -5.829 1.00 0.00 H new ATOM 1232 N ILE A 75 11.388 3.063 0.650 1.00 0.00 N ATOM 1233 CA ILE A 75 10.956 4.413 0.333 1.00 0.00 C ATOM 1234 C ILE A 75 11.286 5.339 1.505 1.00 0.00 C ATOM 1235 O ILE A 75 10.568 5.363 2.503 1.00 0.00 O ATOM 1236 CB ILE A 75 9.477 4.423 -0.061 1.00 0.00 C ATOM 1237 CG1 ILE A 75 9.275 3.819 -1.452 1.00 0.00 C ATOM 1238 CG2 ILE A 75 8.892 5.833 0.042 1.00 0.00 C ATOM 1239 CD1 ILE A 75 7.793 3.557 -1.726 1.00 0.00 C ATOM 0 H ILE A 75 10.852 2.605 1.387 1.00 0.00 H new ATOM 0 HA ILE A 75 11.497 4.792 -0.534 1.00 0.00 H new ATOM 0 HB ILE A 75 8.932 3.795 0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.674 4.496 -2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.834 2.887 -1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.840 5.812 -0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.983 6.191 1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.436 6.502 -0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.677 3.128 -2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.403 2.861 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.241 4.495 -1.669 1.00 0.00 H new ATOM 1251 N PRO A 76 12.404 6.097 1.341 1.00 0.00 N ATOM 1252 CA PRO A 76 12.838 7.022 2.374 1.00 0.00 C ATOM 1253 C PRO A 76 11.953 8.270 2.401 1.00 0.00 C ATOM 1254 O PRO A 76 12.149 9.191 1.609 1.00 0.00 O ATOM 1255 CB PRO A 76 14.289 7.330 2.041 1.00 0.00 C ATOM 1256 CG PRO A 76 14.475 6.937 0.585 1.00 0.00 C ATOM 1257 CD PRO A 76 13.279 6.094 0.173 1.00 0.00 C ATOM 0 HA PRO A 76 12.753 6.603 3.377 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.508 8.387 2.191 1.00 0.00 H new ATOM 0 HB3 PRO A 76 14.965 6.769 2.686 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.551 7.825 -0.043 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.400 6.375 0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 76 12.778 6.516 -0.698 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.581 5.081 -0.093 1.00 0.00 H new ATOM 1265 N GLY A 77 10.999 8.260 3.320 1.00 0.00 N ATOM 1266 CA GLY A 77 10.083 9.379 3.460 1.00 0.00 C ATOM 1267 C GLY A 77 8.636 8.935 3.237 1.00 0.00 C ATOM 1268 O GLY A 77 7.832 9.685 2.686 1.00 0.00 O ATOM 0 H GLY A 77 10.840 7.495 3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.184 9.814 4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.343 10.158 2.743 1.00 0.00 H new ATOM 1272 N THR A 78 8.350 7.718 3.675 1.00 0.00 N ATOM 1273 CA THR A 78 7.014 7.166 3.530 1.00 0.00 C ATOM 1274 C THR A 78 6.203 7.387 4.809 1.00 0.00 C ATOM 1275 O THR A 78 6.492 6.785 5.842 1.00 0.00 O ATOM 1276 CB THR A 78 7.152 5.692 3.145 1.00 0.00 C ATOM 1277 OG1 THR A 78 5.919 5.385 2.498 1.00 0.00 O ATOM 1278 CG2 THR A 78 7.172 4.767 4.364 1.00 0.00 C ATOM 0 H THR A 78 9.020 7.099 4.130 1.00 0.00 H new ATOM 0 HA THR A 78 6.460 7.673 2.740 1.00 0.00 H new ATOM 0 HB THR A 78 8.066 5.552 2.568 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.923 4.447 2.214 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.272 3.733 4.034 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.015 5.027 5.004 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.243 4.882 4.923 1.00 0.00 H new ATOM 1286 N LYS A 79 5.205 8.251 4.697 1.00 0.00 N ATOM 1287 CA LYS A 79 4.351 8.558 5.831 1.00 0.00 C ATOM 1288 C LYS A 79 3.750 7.262 6.378 1.00 0.00 C ATOM 1289 O LYS A 79 3.292 7.219 7.519 1.00 0.00 O ATOM 1290 CB LYS A 79 3.305 9.606 5.445 1.00 0.00 C ATOM 1291 CG LYS A 79 3.735 11.003 5.897 1.00 0.00 C ATOM 1292 CD LYS A 79 2.858 11.502 7.047 1.00 0.00 C ATOM 1293 CE LYS A 79 1.682 12.327 6.520 1.00 0.00 C ATOM 1294 NZ LYS A 79 2.139 13.668 6.091 1.00 0.00 N ATOM 0 H LYS A 79 4.969 8.748 3.838 1.00 0.00 H new ATOM 0 HA LYS A 79 4.934 9.004 6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.159 9.598 4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.347 9.352 5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.778 10.982 6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.670 11.696 5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.484 10.653 7.619 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.455 12.107 7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.215 11.810 5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.923 12.426 7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.319 14.300 5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.793 14.055 6.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.626 13.592 5.175 1.00 0.00 H new ATOM 1308 N MET A 80 3.772 6.237 5.539 1.00 0.00 N ATOM 1309 CA MET A 80 3.235 4.943 5.924 1.00 0.00 C ATOM 1310 C MET A 80 3.969 4.386 7.146 1.00 0.00 C ATOM 1311 O MET A 80 5.019 3.759 7.011 1.00 0.00 O ATOM 1312 CB MET A 80 3.373 3.965 4.756 1.00 0.00 C ATOM 1313 CG MET A 80 2.789 2.597 5.114 1.00 0.00 C ATOM 1314 SD MET A 80 2.317 1.726 3.629 1.00 0.00 S ATOM 1315 CE MET A 80 2.318 0.049 4.240 1.00 0.00 C ATOM 0 H MET A 80 4.153 6.276 4.594 1.00 0.00 H new ATOM 0 HA MET A 80 2.183 5.069 6.182 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.862 4.365 3.880 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.424 3.857 4.490 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.523 2.013 5.670 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.922 2.721 5.763 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.891 -0.613 3.487 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.341 -0.259 4.456 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.723 -0.007 5.151 1.00 0.00 H new ATOM 1325 N ALA A 81 3.388 4.636 8.310 1.00 0.00 N ATOM 1326 CA ALA A 81 3.974 4.168 9.554 1.00 0.00 C ATOM 1327 C ALA A 81 3.490 2.745 9.837 1.00 0.00 C ATOM 1328 O ALA A 81 2.867 2.490 10.868 1.00 0.00 O ATOM 1329 CB ALA A 81 3.621 5.139 10.682 1.00 0.00 C ATOM 0 H ALA A 81 2.518 5.157 8.418 1.00 0.00 H new ATOM 0 HA ALA A 81 5.061 4.138 9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.061 4.788 11.615 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.013 6.129 10.446 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.538 5.194 10.789 1.00 0.00 H new ATOM 1335 N PHE A 82 3.794 1.854 8.905 1.00 0.00 N ATOM 1336 CA PHE A 82 3.397 0.463 9.041 1.00 0.00 C ATOM 1337 C PHE A 82 4.541 -0.381 9.607 1.00 0.00 C ATOM 1338 O PHE A 82 4.445 -0.896 10.720 1.00 0.00 O ATOM 1339 CB PHE A 82 3.051 -0.043 7.639 1.00 0.00 C ATOM 1340 CG PHE A 82 2.721 -1.536 7.580 1.00 0.00 C ATOM 1341 CD1 PHE A 82 1.850 -2.076 8.474 1.00 0.00 C ATOM 1342 CD2 PHE A 82 3.300 -2.323 6.634 1.00 0.00 C ATOM 1343 CE1 PHE A 82 1.544 -3.461 8.419 1.00 0.00 C ATOM 1344 CE2 PHE A 82 2.993 -3.709 6.579 1.00 0.00 C ATOM 1345 CZ PHE A 82 2.122 -4.249 7.473 1.00 0.00 C ATOM 0 H PHE A 82 4.311 2.068 8.052 1.00 0.00 H new ATOM 0 HA PHE A 82 2.550 0.383 9.723 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.200 0.522 7.260 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.890 0.160 6.973 1.00 0.00 H new ATOM 0 HD1 PHE A 82 1.391 -1.451 9.226 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.993 -1.895 5.925 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.852 -3.889 9.129 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.451 -4.334 5.827 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.889 -5.303 7.432 1.00 0.00 H new ATOM 1355 N GLY A 83 5.597 -0.495 8.816 1.00 0.00 N ATOM 1356 CA GLY A 83 6.758 -1.267 9.224 1.00 0.00 C ATOM 1357 C GLY A 83 7.062 -2.376 8.215 1.00 0.00 C ATOM 1358 O GLY A 83 8.098 -2.351 7.552 1.00 0.00 O ATOM 0 H GLY A 83 5.673 -0.065 7.894 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.622 -0.609 9.318 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.582 -1.703 10.207 1.00 0.00 H new ATOM 1362 N GLY A 84 6.139 -3.323 8.129 1.00 0.00 N ATOM 1363 CA GLY A 84 6.295 -4.439 7.212 1.00 0.00 C ATOM 1364 C GLY A 84 6.146 -5.775 7.943 1.00 0.00 C ATOM 1365 O GLY A 84 6.492 -5.886 9.118 1.00 0.00 O ATOM 0 H GLY A 84 5.280 -3.340 8.680 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.550 -4.369 6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.274 -4.388 6.735 1.00 0.00 H new ATOM 1369 N LEU A 85 5.630 -6.756 7.217 1.00 0.00 N ATOM 1370 CA LEU A 85 5.431 -8.080 7.782 1.00 0.00 C ATOM 1371 C LEU A 85 6.717 -8.894 7.628 1.00 0.00 C ATOM 1372 O LEU A 85 7.761 -8.351 7.270 1.00 0.00 O ATOM 1373 CB LEU A 85 4.202 -8.747 7.161 1.00 0.00 C ATOM 1374 CG LEU A 85 2.868 -8.027 7.373 1.00 0.00 C ATOM 1375 CD1 LEU A 85 1.779 -8.616 6.475 1.00 0.00 C ATOM 1376 CD2 LEU A 85 2.465 -8.043 8.849 1.00 0.00 C ATOM 0 H LEU A 85 5.344 -6.661 6.243 1.00 0.00 H new ATOM 0 HA LEU A 85 5.223 -8.012 8.850 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.371 -8.848 6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.116 -9.755 7.567 1.00 0.00 H new ATOM 0 HG LEU A 85 2.993 -6.983 7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.841 -8.087 6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.072 -8.509 5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.647 -9.672 6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.514 -7.525 8.972 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.363 -9.074 9.187 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.231 -7.541 9.441 1.00 0.00 H new ATOM 1388 N LYS A 86 6.599 -10.185 7.905 1.00 0.00 N ATOM 1389 CA LYS A 86 7.739 -11.080 7.801 1.00 0.00 C ATOM 1390 C LYS A 86 7.257 -12.465 7.365 1.00 0.00 C ATOM 1391 O LYS A 86 7.823 -13.064 6.453 1.00 0.00 O ATOM 1392 CB LYS A 86 8.533 -11.088 9.109 1.00 0.00 C ATOM 1393 CG LYS A 86 9.771 -10.195 9.004 1.00 0.00 C ATOM 1394 CD LYS A 86 11.054 -11.027 9.061 1.00 0.00 C ATOM 1395 CE LYS A 86 12.224 -10.274 8.425 1.00 0.00 C ATOM 1396 NZ LYS A 86 13.037 -9.605 9.466 1.00 0.00 N ATOM 0 H LYS A 86 5.731 -10.632 8.201 1.00 0.00 H new ATOM 0 HA LYS A 86 8.432 -10.729 7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.899 -10.742 9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.835 -12.107 9.349 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.740 -9.632 8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.769 -9.467 9.816 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.291 -11.266 10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.901 -11.974 8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.846 -10.968 7.859 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.847 -9.535 7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.827 -9.099 9.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.444 -8.929 9.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.412 -10.317 10.125 1.00 0.00 H new ATOM 1410 N LYS A 87 6.216 -12.933 8.039 1.00 0.00 N ATOM 1411 CA LYS A 87 5.651 -14.236 7.732 1.00 0.00 C ATOM 1412 C LYS A 87 5.052 -14.209 6.325 1.00 0.00 C ATOM 1413 O LYS A 87 3.890 -13.847 6.148 1.00 0.00 O ATOM 1414 CB LYS A 87 4.657 -14.657 8.816 1.00 0.00 C ATOM 1415 CG LYS A 87 5.384 -15.057 10.102 1.00 0.00 C ATOM 1416 CD LYS A 87 5.901 -16.495 10.014 1.00 0.00 C ATOM 1417 CE LYS A 87 4.933 -17.468 10.691 1.00 0.00 C ATOM 1418 NZ LYS A 87 5.058 -17.383 12.163 1.00 0.00 N ATOM 0 H LYS A 87 5.750 -12.433 8.796 1.00 0.00 H new ATOM 0 HA LYS A 87 6.430 -14.999 7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.970 -13.836 9.023 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.056 -15.493 8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.217 -14.377 10.280 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.708 -14.961 10.951 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.032 -16.775 8.969 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.881 -16.563 10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.910 -17.239 10.393 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.141 -18.486 10.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.553 -18.180 12.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.063 -17.422 12.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.647 -16.488 12.495 1.00 0.00 H new ATOM 1432 N GLU A 88 5.872 -14.598 5.360 1.00 0.00 N ATOM 1433 CA GLU A 88 5.437 -14.623 3.973 1.00 0.00 C ATOM 1434 C GLU A 88 3.999 -15.137 3.877 1.00 0.00 C ATOM 1435 O GLU A 88 3.243 -14.716 3.002 1.00 0.00 O ATOM 1436 CB GLU A 88 6.381 -15.472 3.118 1.00 0.00 C ATOM 1437 CG GLU A 88 7.334 -14.588 2.311 1.00 0.00 C ATOM 1438 CD GLU A 88 8.608 -15.350 1.942 1.00 0.00 C ATOM 1439 OE1 GLU A 88 8.478 -16.351 1.206 1.00 0.00 O ATOM 1440 OE2 GLU A 88 9.684 -14.913 2.404 1.00 0.00 O ATOM 0 H GLU A 88 6.835 -14.898 5.511 1.00 0.00 H new ATOM 0 HA GLU A 88 5.465 -13.605 3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.955 -16.141 3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.800 -16.099 2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.836 -14.244 1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.591 -13.701 2.890 1.00 0.00 H new ATOM 1447 N LYS A 89 3.664 -16.038 4.788 1.00 0.00 N ATOM 1448 CA LYS A 89 2.330 -16.613 4.817 1.00 0.00 C ATOM 1449 C LYS A 89 1.295 -15.494 4.691 1.00 0.00 C ATOM 1450 O LYS A 89 0.555 -15.436 3.709 1.00 0.00 O ATOM 1451 CB LYS A 89 2.148 -17.482 6.063 1.00 0.00 C ATOM 1452 CG LYS A 89 3.360 -18.391 6.280 1.00 0.00 C ATOM 1453 CD LYS A 89 2.928 -19.848 6.453 1.00 0.00 C ATOM 1454 CE LYS A 89 3.850 -20.790 5.676 1.00 0.00 C ATOM 1455 NZ LYS A 89 5.217 -20.760 6.241 1.00 0.00 N ATOM 0 H LYS A 89 4.293 -16.384 5.512 1.00 0.00 H new ATOM 0 HA LYS A 89 2.184 -17.280 3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.005 -16.846 6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.248 -18.088 5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.038 -18.307 5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.911 -18.064 7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.941 -20.112 7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.902 -19.970 6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.457 -21.806 5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.878 -20.497 4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.799 -21.489 5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.640 -19.824 6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.174 -20.945 7.263 1.00 0.00 H new ATOM 1469 N ASP A 90 1.274 -14.634 5.698 1.00 0.00 N ATOM 1470 CA ASP A 90 0.341 -13.520 5.711 1.00 0.00 C ATOM 1471 C ASP A 90 0.644 -12.592 4.533 1.00 0.00 C ATOM 1472 O ASP A 90 -0.263 -12.186 3.809 1.00 0.00 O ATOM 1473 CB ASP A 90 0.473 -12.707 7.000 1.00 0.00 C ATOM 1474 CG ASP A 90 -0.532 -13.064 8.097 1.00 0.00 C ATOM 1475 OD1 ASP A 90 -1.610 -13.581 7.732 1.00 0.00 O ATOM 1476 OD2 ASP A 90 -0.199 -12.813 9.275 1.00 0.00 O ATOM 0 H ASP A 90 1.888 -14.686 6.511 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.669 -13.925 5.642 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.480 -12.840 7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.363 -11.650 6.758 1.00 0.00 H new ATOM 1481 N ARG A 91 1.923 -12.283 4.378 1.00 0.00 N ATOM 1482 CA ARG A 91 2.357 -11.411 3.301 1.00 0.00 C ATOM 1483 C ARG A 91 1.728 -11.849 1.977 1.00 0.00 C ATOM 1484 O ARG A 91 1.253 -11.017 1.206 1.00 0.00 O ATOM 1485 CB ARG A 91 3.881 -11.423 3.162 1.00 0.00 C ATOM 1486 CG ARG A 91 4.557 -11.243 4.523 1.00 0.00 C ATOM 1487 CD ARG A 91 5.853 -10.440 4.389 1.00 0.00 C ATOM 1488 NE ARG A 91 7.017 -11.354 4.395 1.00 0.00 N ATOM 1489 CZ ARG A 91 8.275 -10.966 4.645 1.00 0.00 C ATOM 1490 NH1 ARG A 91 8.539 -9.680 4.911 1.00 0.00 N ATOM 1491 NH2 ARG A 91 9.269 -11.865 4.629 1.00 0.00 N ATOM 0 H ARG A 91 2.673 -12.621 4.981 1.00 0.00 H new ATOM 0 HA ARG A 91 2.034 -10.399 3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.202 -12.364 2.714 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.195 -10.626 2.488 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.878 -10.733 5.206 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.773 -12.219 4.958 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.839 -9.862 3.465 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.935 -9.727 5.210 1.00 0.00 H new ATOM 0 HE ARG A 91 6.851 -12.341 4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.782 -8.996 4.923 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.497 -9.385 5.101 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.068 -12.844 4.427 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.227 -11.570 4.819 1.00 0.00 H new ATOM 1505 N ASN A 92 1.745 -13.155 1.754 1.00 0.00 N ATOM 1506 CA ASN A 92 1.182 -13.714 0.537 1.00 0.00 C ATOM 1507 C ASN A 92 -0.342 -13.579 0.576 1.00 0.00 C ATOM 1508 O ASN A 92 -0.934 -12.930 -0.285 1.00 0.00 O ATOM 1509 CB ASN A 92 1.522 -15.199 0.404 1.00 0.00 C ATOM 1510 CG ASN A 92 3.030 -15.429 0.513 1.00 0.00 C ATOM 1511 OD1 ASN A 92 3.363 -16.539 1.165 1.00 0.00 O flip ATOM 1512 ND2 ASN A 92 3.839 -14.649 0.036 1.00 0.00 N flip ATOM 0 H ASN A 92 2.140 -13.842 2.396 1.00 0.00 H new ATOM 0 HA ASN A 92 1.603 -13.171 -0.309 1.00 0.00 H new ATOM 0 HB2 ASN A 92 1.007 -15.764 1.181 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.162 -15.574 -0.554 1.00 0.00 H new ATOM 0 HD21 ASN A 92 3.516 -13.814 -0.453 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.838 -14.832 0.126 1.00 0.00 H new ATOM 1519 N ASP A 93 -0.933 -14.203 1.584 1.00 0.00 N ATOM 1520 CA ASP A 93 -2.377 -14.161 1.747 1.00 0.00 C ATOM 1521 C ASP A 93 -2.881 -12.752 1.426 1.00 0.00 C ATOM 1522 O ASP A 93 -3.874 -12.590 0.719 1.00 0.00 O ATOM 1523 CB ASP A 93 -2.778 -14.491 3.186 1.00 0.00 C ATOM 1524 CG ASP A 93 -2.671 -15.969 3.564 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -2.271 -16.754 2.678 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -2.991 -16.281 4.732 1.00 0.00 O ATOM 0 H ASP A 93 -0.439 -14.741 2.296 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.815 -14.897 1.073 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.151 -13.912 3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.806 -14.164 3.345 1.00 0.00 H new ATOM 1531 N LEU A 94 -2.173 -11.769 1.963 1.00 0.00 N ATOM 1532 CA LEU A 94 -2.537 -10.379 1.743 1.00 0.00 C ATOM 1533 C LEU A 94 -2.638 -10.115 0.239 1.00 0.00 C ATOM 1534 O LEU A 94 -3.732 -9.925 -0.289 1.00 0.00 O ATOM 1535 CB LEU A 94 -1.561 -9.449 2.466 1.00 0.00 C ATOM 1536 CG LEU A 94 -2.097 -8.062 2.825 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -3.518 -8.151 3.384 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -1.149 -7.338 3.783 1.00 0.00 C ATOM 0 H LEU A 94 -1.350 -11.907 2.549 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.517 -10.169 2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.235 -9.939 3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.678 -9.324 1.840 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.146 -7.469 1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.875 -7.151 3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.175 -8.597 2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.518 -8.768 4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.554 -6.355 4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.044 -7.919 4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.173 -7.224 3.312 1.00 0.00 H new ATOM 1550 N ILE A 95 -1.482 -10.111 -0.408 1.00 0.00 N ATOM 1551 CA ILE A 95 -1.426 -9.873 -1.840 1.00 0.00 C ATOM 1552 C ILE A 95 -2.543 -10.662 -2.527 1.00 0.00 C ATOM 1553 O ILE A 95 -3.033 -10.261 -3.582 1.00 0.00 O ATOM 1554 CB ILE A 95 -0.030 -10.185 -2.382 1.00 0.00 C ATOM 1555 CG1 ILE A 95 1.031 -9.326 -1.690 1.00 0.00 C ATOM 1556 CG2 ILE A 95 0.014 -10.035 -3.903 1.00 0.00 C ATOM 1557 CD1 ILE A 95 2.322 -10.118 -1.474 1.00 0.00 C ATOM 0 H ILE A 95 -0.576 -10.269 0.034 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.598 -8.819 -2.058 1.00 0.00 H new ATOM 0 HB ILE A 95 0.200 -11.226 -2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.239 -8.442 -2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.651 -8.975 -0.731 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.018 -10.263 -4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.699 -10.723 -4.357 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.246 -9.012 -4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.059 -9.485 -0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.115 -10.988 -0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.713 -10.447 -2.437 1.00 0.00 H new ATOM 1569 N THR A 96 -2.913 -11.770 -1.901 1.00 0.00 N ATOM 1570 CA THR A 96 -3.962 -12.618 -2.439 1.00 0.00 C ATOM 1571 C THR A 96 -5.323 -11.930 -2.311 1.00 0.00 C ATOM 1572 O THR A 96 -6.098 -11.898 -3.265 1.00 0.00 O ATOM 1573 CB THR A 96 -3.894 -13.968 -1.721 1.00 0.00 C ATOM 1574 OG1 THR A 96 -3.527 -14.888 -2.746 1.00 0.00 O ATOM 1575 CG2 THR A 96 -5.268 -14.455 -1.258 1.00 0.00 C ATOM 0 H THR A 96 -2.505 -12.100 -1.026 1.00 0.00 H new ATOM 0 HA THR A 96 -3.820 -12.793 -3.506 1.00 0.00 H new ATOM 0 HB THR A 96 -3.229 -13.889 -0.861 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.324 -15.364 -3.060 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.163 -15.416 -0.755 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.698 -13.729 -0.567 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.924 -14.567 -2.121 1.00 0.00 H new ATOM 1583 N TYR A 97 -5.571 -11.398 -1.123 1.00 0.00 N ATOM 1584 CA TYR A 97 -6.824 -10.712 -0.858 1.00 0.00 C ATOM 1585 C TYR A 97 -6.840 -9.327 -1.506 1.00 0.00 C ATOM 1586 O TYR A 97 -7.832 -8.935 -2.119 1.00 0.00 O ATOM 1587 CB TYR A 97 -6.904 -10.552 0.662 1.00 0.00 C ATOM 1588 CG TYR A 97 -7.990 -9.581 1.129 1.00 0.00 C ATOM 1589 CD1 TYR A 97 -9.302 -10.000 1.209 1.00 0.00 C ATOM 1590 CD2 TYR A 97 -7.656 -8.286 1.471 1.00 0.00 C ATOM 1591 CE1 TYR A 97 -10.324 -9.086 1.649 1.00 0.00 C ATOM 1592 CE2 TYR A 97 -8.678 -7.372 1.912 1.00 0.00 C ATOM 1593 CZ TYR A 97 -9.962 -7.817 1.979 1.00 0.00 C ATOM 1594 OH TYR A 97 -10.927 -6.954 2.394 1.00 0.00 O ATOM 0 H TYR A 97 -4.926 -11.428 -0.334 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.663 -11.277 -1.264 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.087 -11.528 1.111 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.939 -10.207 1.032 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -9.563 -11.013 0.942 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.629 -7.958 1.408 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -11.355 -9.401 1.716 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -8.431 -6.356 2.183 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.523 -6.084 2.597 1.00 0.00 H new ATOM 1604 N LEU A 98 -5.728 -8.623 -1.349 1.00 0.00 N ATOM 1605 CA LEU A 98 -5.601 -7.289 -1.911 1.00 0.00 C ATOM 1606 C LEU A 98 -5.924 -7.338 -3.406 1.00 0.00 C ATOM 1607 O LEU A 98 -6.797 -6.612 -3.880 1.00 0.00 O ATOM 1608 CB LEU A 98 -4.222 -6.705 -1.599 1.00 0.00 C ATOM 1609 CG LEU A 98 -4.211 -5.417 -0.772 1.00 0.00 C ATOM 1610 CD1 LEU A 98 -3.781 -5.694 0.670 1.00 0.00 C ATOM 1611 CD2 LEU A 98 -3.339 -4.348 -1.434 1.00 0.00 C ATOM 0 H LEU A 98 -4.907 -8.952 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.320 -6.611 -1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.641 -7.459 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.709 -6.513 -2.541 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.228 -5.027 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.782 -4.762 1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.476 -6.397 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.778 -6.120 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.348 -3.443 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.317 -4.716 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.730 -4.123 -2.426 1.00 0.00 H new ATOM 1623 N LYS A 99 -5.203 -8.200 -4.107 1.00 0.00 N ATOM 1624 CA LYS A 99 -5.402 -8.353 -5.538 1.00 0.00 C ATOM 1625 C LYS A 99 -6.888 -8.579 -5.821 1.00 0.00 C ATOM 1626 O LYS A 99 -7.382 -8.219 -6.888 1.00 0.00 O ATOM 1627 CB LYS A 99 -4.496 -9.456 -6.090 1.00 0.00 C ATOM 1628 CG LYS A 99 -4.797 -9.725 -7.566 1.00 0.00 C ATOM 1629 CD LYS A 99 -5.312 -11.151 -7.769 1.00 0.00 C ATOM 1630 CE LYS A 99 -4.183 -12.171 -7.607 1.00 0.00 C ATOM 1631 NZ LYS A 99 -4.733 -13.540 -7.490 1.00 0.00 N ATOM 0 H LYS A 99 -4.480 -8.800 -3.711 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.112 -7.442 -6.062 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.452 -9.165 -5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.638 -10.370 -5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.539 -9.012 -7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.895 -9.572 -8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.103 -11.362 -7.049 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.752 -11.245 -8.762 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.509 -12.115 -8.462 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.594 -11.933 -6.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.953 -14.219 -7.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.358 -13.593 -6.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.275 -13.771 -8.347 1.00 0.00 H new ATOM 1645 N LYS A 100 -7.560 -9.173 -4.846 1.00 0.00 N ATOM 1646 CA LYS A 100 -8.980 -9.451 -4.976 1.00 0.00 C ATOM 1647 C LYS A 100 -9.773 -8.170 -4.707 1.00 0.00 C ATOM 1648 O LYS A 100 -10.433 -7.645 -5.602 1.00 0.00 O ATOM 1649 CB LYS A 100 -9.382 -10.623 -4.078 1.00 0.00 C ATOM 1650 CG LYS A 100 -10.822 -11.058 -4.356 1.00 0.00 C ATOM 1651 CD LYS A 100 -11.705 -10.847 -3.125 1.00 0.00 C ATOM 1652 CE LYS A 100 -12.967 -11.708 -3.201 1.00 0.00 C ATOM 1653 NZ LYS A 100 -12.726 -13.036 -2.594 1.00 0.00 N ATOM 0 H LYS A 100 -7.147 -9.470 -3.962 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.215 -9.764 -5.993 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.706 -11.462 -4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.281 -10.335 -3.032 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.222 -10.490 -5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.839 -12.109 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.144 -11.096 -2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.982 -9.796 -3.048 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.787 -11.209 -2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -13.271 -11.827 -4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -13.593 -13.608 -2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.958 -13.517 -3.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.458 -12.918 -1.596 1.00 0.00 H new ATOM 1667 N ALA A 101 -9.681 -7.704 -3.470 1.00 0.00 N ATOM 1668 CA ALA A 101 -10.381 -6.495 -3.072 1.00 0.00 C ATOM 1669 C ALA A 101 -10.086 -5.384 -4.081 1.00 0.00 C ATOM 1670 O ALA A 101 -11.004 -4.741 -4.588 1.00 0.00 O ATOM 1671 CB ALA A 101 -9.972 -6.113 -1.648 1.00 0.00 C ATOM 0 H ALA A 101 -9.132 -8.142 -2.730 1.00 0.00 H new ATOM 0 HA ALA A 101 -11.459 -6.659 -3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -10.497 -5.206 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -10.230 -6.923 -0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.897 -5.938 -1.613 1.00 0.00 H new ATOM 1677 N SER A 102 -8.801 -5.192 -4.342 1.00 0.00 N ATOM 1678 CA SER A 102 -8.373 -4.169 -5.282 1.00 0.00 C ATOM 1679 C SER A 102 -8.829 -4.535 -6.696 1.00 0.00 C ATOM 1680 O SER A 102 -9.119 -3.655 -7.505 1.00 0.00 O ATOM 1681 CB SER A 102 -6.855 -3.987 -5.244 1.00 0.00 C ATOM 1682 OG SER A 102 -6.423 -3.351 -4.044 1.00 0.00 O ATOM 0 H SER A 102 -8.043 -5.727 -3.919 1.00 0.00 H new ATOM 0 HA SER A 102 -8.832 -3.224 -4.992 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.371 -4.960 -5.333 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.539 -3.394 -6.102 1.00 0.00 H new ATOM 0 HG SER A 102 -6.758 -2.430 -4.023 1.00 0.00 H new ATOM 1688 N GLU A 103 -8.878 -5.834 -6.951 1.00 0.00 N ATOM 1689 CA GLU A 103 -9.294 -6.326 -8.253 1.00 0.00 C ATOM 1690 C GLU A 103 -9.836 -7.752 -8.133 1.00 0.00 C ATOM 1691 O GLU A 103 -11.034 -7.980 -8.289 1.00 0.00 O ATOM 1692 CB GLU A 103 -8.141 -6.261 -9.257 1.00 0.00 C ATOM 1693 CG GLU A 103 -8.591 -6.737 -10.640 1.00 0.00 C ATOM 1694 CD GLU A 103 -7.394 -6.903 -11.579 1.00 0.00 C ATOM 1695 OE1 GLU A 103 -6.478 -7.664 -11.201 1.00 0.00 O ATOM 1696 OE2 GLU A 103 -7.423 -6.265 -12.653 1.00 0.00 O ATOM 0 H GLU A 103 -8.636 -6.561 -6.278 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.093 -5.684 -8.624 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.769 -5.239 -9.324 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.314 -6.879 -8.907 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.120 -7.686 -10.548 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -9.294 -6.020 -11.064 1.00 0.00 H new TER 1703 GLU A 103 HETATM 1704 FE HEC A 104 -0.217 1.977 3.690 1.00 0.00 FE HETATM 1705 CHA HEC A 104 0.954 4.461 1.557 1.00 0.00 C HETATM 1706 CHB HEC A 104 -0.682 0.007 1.030 1.00 0.00 C HETATM 1707 CHC HEC A 104 -0.863 -0.404 5.832 1.00 0.00 C HETATM 1708 CHD HEC A 104 -0.336 4.303 6.140 1.00 0.00 C HETATM 1709 NA HEC A 104 0.078 2.245 1.739 1.00 0.00 N HETATM 1710 C1A HEC A 104 0.549 3.258 0.995 1.00 0.00 C HETATM 1711 C2A HEC A 104 0.885 2.837 -0.386 1.00 0.00 C HETATM 1712 C3A HEC A 104 0.392 1.604 -0.502 1.00 0.00 C HETATM 1713 C4A HEC A 104 -0.080 1.165 0.737 1.00 0.00 C HETATM 1714 CMA HEC A 104 0.462 0.707 -1.796 1.00 0.00 C HETATM 1715 CAA HEC A 104 1.433 3.803 -1.398 1.00 0.00 C HETATM 1716 CBA HEC A 104 0.465 5.024 -1.516 1.00 0.00 C HETATM 1717 CGA HEC A 104 1.034 6.413 -1.271 1.00 0.00 C HETATM 1718 O1A HEC A 104 1.925 6.733 -2.066 1.00 0.00 O HETATM 1719 O2A HEC A 104 0.592 7.127 -0.345 1.00 0.00 O HETATM 1720 NB HEC A 104 -0.697 0.146 3.481 1.00 0.00 N HETATM 1721 C1B HEC A 104 -1.051 -0.465 2.283 1.00 0.00 C HETATM 1722 C2B HEC A 104 -1.431 -1.829 2.637 1.00 0.00 C HETATM 1723 C3B HEC A 104 -1.428 -2.000 3.983 1.00 0.00 C HETATM 1724 C4B HEC A 104 -1.013 -0.710 4.467 1.00 0.00 C HETATM 1725 CMB HEC A 104 -1.924 -2.848 1.546 1.00 0.00 C HETATM 1726 CAB HEC A 104 -1.819 -3.168 4.849 1.00 0.00 C HETATM 1727 CBB HEC A 104 -1.063 -4.468 4.533 1.00 0.00 C HETATM 1728 NC HEC A 104 -0.536 2.012 5.641 1.00 0.00 N HETATM 1729 C1C HEC A 104 -0.785 0.928 6.427 1.00 0.00 C HETATM 1730 C2C HEC A 104 -1.067 1.160 7.789 1.00 0.00 C HETATM 1731 C3C HEC A 104 -0.872 2.491 7.889 1.00 0.00 C HETATM 1732 C4C HEC A 104 -0.631 3.036 6.554 1.00 0.00 C HETATM 1733 CMC HEC A 104 -1.388 0.179 8.875 1.00 0.00 C HETATM 1734 CAC HEC A 104 -1.187 3.487 9.048 1.00 0.00 C HETATM 1735 CBC HEC A 104 -0.455 3.100 10.353 1.00 0.00 C HETATM 1736 ND HEC A 104 0.216 4.030 3.836 1.00 0.00 N HETATM 1737 C1D HEC A 104 0.101 4.817 4.976 1.00 0.00 C HETATM 1738 C2D HEC A 104 0.509 6.114 4.695 1.00 0.00 C HETATM 1739 C3D HEC A 104 0.906 6.158 3.413 1.00 0.00 C HETATM 1740 C4D HEC A 104 0.792 4.804 2.880 1.00 0.00 C HETATM 1741 CMD HEC A 104 0.588 7.320 5.739 1.00 0.00 C HETATM 1742 CAD HEC A 104 1.566 7.377 2.720 1.00 0.00 C HETATM 1743 CBD HEC A 104 0.692 8.608 2.744 1.00 0.00 C HETATM 1744 CGD HEC A 104 0.564 9.421 1.469 1.00 0.00 C HETATM 1745 O1D HEC A 104 -0.597 9.775 1.129 1.00 0.00 O HETATM 1746 O2D HEC A 104 1.618 9.508 0.799 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -0.402 7.506 6.156 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 1.278 7.061 6.542 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 0.942 8.218 5.232 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.289 -0.374 8.611 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -0.557 -0.517 8.994 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -1.551 0.713 9.811 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.818 -2.457 1.061 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -1.141 -2.992 0.802 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -2.155 -3.803 2.018 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.048 1.211 -2.616 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 1.505 0.539 -2.066 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.022 -0.250 -1.602 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 -0.309 8.300 3.044 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 1.069 9.269 3.524 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -0.768 2.103 10.664 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 0.621 3.105 10.182 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -0.701 3.818 11.135 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -1.254 -4.758 3.500 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 0.006 -4.310 4.673 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -1.404 -5.259 5.201 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 0.033 5.012 -2.517 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.354 4.870 -0.813 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 2.513 7.600 3.212 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 1.796 7.121 1.686 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 2.426 4.138 -1.099 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 1.540 3.313 -2.366 1.00 0.00 H new HETATM 0 HHD HEC A 104 -0.486 5.055 6.914 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.798 -1.249 6.517 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.910 -0.643 0.185 1.00 0.00 H new HETATM 0 HHA HEC A 104 1.436 5.187 0.902 1.00 0.00 H new HETATM 0 HAB HEC A 104 -2.573 -3.097 5.633 1.00 0.00 H new HETATM 0 H2D HEC A 104 1.672 8.755 0.174 1.00 0.00 H new HETATM 0 H2A HEC A 104 0.245 6.556 0.372 1.00 0.00 H new