USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 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 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC H2D : A 104 HEC O2D : A 104 HEC CGD :(short bond) USER MOD NoAdj-H: A 104 HEC H2A : A 104 HEC O2A : A 104 HEC CGA :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot 41:sc= -3.43! USER MOD Set 1.2: A 80 MET CE :methyl 179:sc= -3.15! (180deg=-0.0854) USER MOD Set 2.1: A 40 SER OG : rot 161:sc= -1.43! USER MOD Set 2.2: A 52 ASN : amide:sc= -0.403 K(o=-1.8,f=-16!) USER MOD Set 3.1: A 39 HIS :FLIP no HE2:sc= -2.45! C(o=-6.3!,f=-3.9!) USER MOD Set 3.2: A 56 ASN :FLIP amide:sc= -1.42 F(o=-5.4,f=-3.9) USER MOD Single : A 2 SER OG : rot -58:sc= -1.53 USER MOD Single : A 4 LYS NZ :NH3+ -116:sc= -0.74 (180deg=-2.24!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -70:sc= 0.776 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ 156:sc= 0.00262 (180deg=0) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -79:sc= 0.381 USER MOD Single : A 16 GLN : amide:sc= -0.034 K(o=-0.034,f=-2!) USER MOD Single : A 19 THR OG1 : rot -180:sc= 1.1 USER MOD Single : A 22 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0248) USER MOD Single : A 26 HIS : no HD1:sc= -0.737 K(o=-0.74,f=-6.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -4.07! C(o=-4.1!,f=-7.4!) USER MOD Single : A 33 HIS : no HE2:sc= -4.94 K(o=-4.9,f=-8.1!) USER MOD Single : A 42 GLN :FLIP amide:sc= -3.03 F(o=-10!,f=-3) USER MOD Single : A 46 TYR OH : rot 15:sc= -1.35 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.591 USER MOD Single : A 49 THR OG1 : rot 146:sc= -0.837 USER MOD Single : A 54 LYS NZ :NH3+ -127:sc= -0.331 (180deg=-1.62) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0133 K(o=-0.013,f=-1.7!) USER MOD Single : A 63 ASN : amide:sc= -2.26! C(o=-2.3!,f=-3.3!) USER MOD Single : A 64 MET CE :methyl -143:sc= -2.87 (180deg=-5.4!) USER MOD Single : A 65 SER OG : rot 180:sc= -0.395 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.843 USER MOD Single : A 70 ASN : amide:sc= -2.76! C(o=-2.8!,f=-4!) USER MOD Single : A 71 HIS :FLIP no HD1:sc= -1.18 F(o=-2.7!,f=-1.2) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -154:sc= -1.67! USER MOD Single : A 78 THR OG1 : rot 135:sc= 1.1 USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= -0.0185 (180deg=-0.264) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.77) USER MOD Single : A 96 THR OG1 : rot 100:sc= -0.789 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+ -140:sc= -0.0546 (180deg=-1.04) USER MOD Single : A 102 THR OG1 : rot -130:sc= -0.791 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 13.573 1.200 -6.883 1.00 0.00 N ATOM 2 CA THR A -5 14.446 0.398 -5.978 1.00 0.00 C ATOM 3 C THR A -5 13.961 -1.053 -5.955 1.00 0.00 C ATOM 4 O THR A -5 12.777 -1.320 -5.896 1.00 0.00 O ATOM 5 CB THR A -5 14.383 0.979 -4.563 1.00 0.00 C ATOM 6 OG1 THR A -5 15.210 2.131 -4.488 1.00 0.00 O ATOM 7 CG2 THR A -5 14.869 -0.067 -3.559 1.00 0.00 C ATOM 0 H1 THR A -5 13.616 2.202 -6.609 1.00 0.00 H new ATOM 0 H2 THR A -5 13.901 1.095 -7.864 1.00 0.00 H new ATOM 0 H3 THR A -5 12.592 0.863 -6.808 1.00 0.00 H new ATOM 0 HA THR A -5 15.474 0.432 -6.340 1.00 0.00 H new ATOM 0 HB THR A -5 13.355 1.255 -4.328 1.00 0.00 H new ATOM 0 HG1 THR A -5 15.169 2.505 -3.583 1.00 0.00 H new ATOM 0 HG21 THR A -5 14.824 0.347 -2.552 1.00 0.00 H new ATOM 0 HG22 THR A -5 14.233 -0.950 -3.617 1.00 0.00 H new ATOM 0 HG23 THR A -5 15.897 -0.344 -3.792 1.00 0.00 H new ATOM 17 N GLU A -4 14.866 -1.991 -6.001 1.00 0.00 N ATOM 18 CA GLU A -4 14.454 -3.423 -5.982 1.00 0.00 C ATOM 19 C GLU A -4 13.649 -3.706 -4.710 1.00 0.00 C ATOM 20 O GLU A -4 13.949 -3.194 -3.650 1.00 0.00 O ATOM 21 CB GLU A -4 15.699 -4.313 -6.004 1.00 0.00 C ATOM 22 CG GLU A -4 16.479 -4.067 -7.297 1.00 0.00 C ATOM 23 CD GLU A -4 17.686 -5.007 -7.352 1.00 0.00 C ATOM 24 OE1 GLU A -4 17.952 -5.656 -6.353 1.00 0.00 O ATOM 25 OE2 GLU A -4 18.322 -5.062 -8.392 1.00 0.00 O ATOM 0 H GLU A -4 15.872 -1.828 -6.051 1.00 0.00 H new ATOM 0 HA GLU A -4 13.839 -3.635 -6.857 1.00 0.00 H new ATOM 0 HB2 GLU A -4 16.328 -4.098 -5.140 1.00 0.00 H new ATOM 0 HB3 GLU A -4 15.411 -5.362 -5.935 1.00 0.00 H new ATOM 0 HG2 GLU A -4 15.835 -4.234 -8.160 1.00 0.00 H new ATOM 0 HG3 GLU A -4 16.810 -3.030 -7.343 1.00 0.00 H new ATOM 32 N PHE A -3 12.631 -4.517 -4.809 1.00 0.00 N ATOM 33 CA PHE A -3 11.807 -4.834 -3.608 1.00 0.00 C ATOM 34 C PHE A -3 12.143 -6.242 -3.111 1.00 0.00 C ATOM 35 O PHE A -3 12.115 -7.197 -3.861 1.00 0.00 O ATOM 36 CB PHE A -3 10.323 -4.759 -3.978 1.00 0.00 C ATOM 37 CG PHE A -3 9.500 -5.537 -2.976 1.00 0.00 C ATOM 38 CD1 PHE A -3 9.745 -5.408 -1.602 1.00 0.00 C ATOM 39 CD2 PHE A -3 8.484 -6.390 -3.426 1.00 0.00 C ATOM 40 CE1 PHE A -3 8.976 -6.132 -0.683 1.00 0.00 C ATOM 41 CE2 PHE A -3 7.716 -7.113 -2.506 1.00 0.00 C ATOM 42 CZ PHE A -3 7.964 -6.983 -1.134 1.00 0.00 C ATOM 0 H PHE A -3 12.334 -4.974 -5.671 1.00 0.00 H new ATOM 0 HA PHE A -3 12.022 -4.114 -2.818 1.00 0.00 H new ATOM 0 HB2 PHE A -3 9.997 -3.719 -3.999 1.00 0.00 H new ATOM 0 HB3 PHE A -3 10.169 -5.162 -4.979 1.00 0.00 H new ATOM 0 HD1 PHE A -3 10.527 -4.750 -1.252 1.00 0.00 H new ATOM 0 HD2 PHE A -3 8.293 -6.490 -4.484 1.00 0.00 H new ATOM 0 HE1 PHE A -3 9.165 -6.033 0.376 1.00 0.00 H new ATOM 0 HE2 PHE A -3 6.933 -7.770 -2.854 1.00 0.00 H new ATOM 0 HZ PHE A -3 7.372 -7.541 -0.424 1.00 0.00 H new ATOM 52 N LYS A -2 12.458 -6.375 -1.851 1.00 0.00 N ATOM 53 CA LYS A -2 12.793 -7.717 -1.301 1.00 0.00 C ATOM 54 C LYS A -2 11.621 -8.228 -0.460 1.00 0.00 C ATOM 55 O LYS A -2 10.957 -7.471 0.221 1.00 0.00 O ATOM 56 CB LYS A -2 14.041 -7.613 -0.423 1.00 0.00 C ATOM 57 CG LYS A -2 15.237 -7.198 -1.282 1.00 0.00 C ATOM 58 CD LYS A -2 16.508 -7.210 -0.429 1.00 0.00 C ATOM 59 CE LYS A -2 17.686 -6.694 -1.256 1.00 0.00 C ATOM 60 NZ LYS A -2 18.354 -7.838 -1.937 1.00 0.00 N ATOM 0 H LYS A -2 12.497 -5.609 -1.178 1.00 0.00 H new ATOM 0 HA LYS A -2 12.983 -8.409 -2.122 1.00 0.00 H new ATOM 0 HB2 LYS A -2 13.880 -6.884 0.371 1.00 0.00 H new ATOM 0 HB3 LYS A -2 14.240 -8.570 0.059 1.00 0.00 H new ATOM 0 HG2 LYS A -2 15.346 -7.880 -2.126 1.00 0.00 H new ATOM 0 HG3 LYS A -2 15.073 -6.203 -1.695 1.00 0.00 H new ATOM 0 HD2 LYS A -2 16.371 -6.587 0.455 1.00 0.00 H new ATOM 0 HD3 LYS A -2 16.713 -8.221 -0.078 1.00 0.00 H new ATOM 0 HE2 LYS A -2 17.337 -5.971 -1.994 1.00 0.00 H new ATOM 0 HE3 LYS A -2 18.396 -6.175 -0.612 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 19.155 -7.487 -2.500 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 18.700 -8.512 -1.225 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 17.674 -8.315 -2.563 1.00 0.00 H new ATOM 74 N ALA A -1 11.359 -9.505 -0.500 1.00 0.00 N ATOM 75 CA ALA A -1 10.231 -10.057 0.297 1.00 0.00 C ATOM 76 C ALA A -1 10.712 -10.374 1.713 1.00 0.00 C ATOM 77 O ALA A -1 11.256 -11.429 1.974 1.00 0.00 O ATOM 78 CB ALA A -1 9.715 -11.335 -0.363 1.00 0.00 C ATOM 0 H ALA A -1 11.878 -10.189 -1.050 1.00 0.00 H new ATOM 0 HA ALA A -1 9.427 -9.322 0.342 1.00 0.00 H new ATOM 0 HB1 ALA A -1 8.889 -11.738 0.222 1.00 0.00 H new ATOM 0 HB2 ALA A -1 9.369 -11.110 -1.372 1.00 0.00 H new ATOM 0 HB3 ALA A -1 10.519 -12.070 -0.411 1.00 0.00 H new ATOM 84 N GLY A 1 10.514 -9.469 2.632 1.00 0.00 N ATOM 85 CA GLY A 1 10.957 -9.720 4.032 1.00 0.00 C ATOM 86 C GLY A 1 9.999 -10.713 4.693 1.00 0.00 C ATOM 87 O GLY A 1 9.666 -11.734 4.125 1.00 0.00 O ATOM 0 H GLY A 1 10.065 -8.567 2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.972 -10.116 4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.975 -8.786 4.593 1.00 0.00 H new ATOM 91 N SER A 2 9.553 -10.418 5.885 1.00 0.00 N ATOM 92 CA SER A 2 8.612 -11.344 6.581 1.00 0.00 C ATOM 93 C SER A 2 7.288 -10.621 6.837 1.00 0.00 C ATOM 94 O SER A 2 7.260 -9.444 7.136 1.00 0.00 O ATOM 95 CB SER A 2 9.221 -11.777 7.913 1.00 0.00 C ATOM 96 OG SER A 2 9.366 -10.641 8.754 1.00 0.00 O ATOM 0 H SER A 2 9.799 -9.577 6.407 1.00 0.00 H new ATOM 0 HA SER A 2 8.434 -12.222 5.960 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.584 -12.520 8.393 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.190 -12.247 7.747 1.00 0.00 H new ATOM 0 HG SER A 2 9.930 -9.974 8.309 1.00 0.00 H new ATOM 102 N ALA A 3 6.192 -11.317 6.721 1.00 0.00 N ATOM 103 CA ALA A 3 4.871 -10.671 6.957 1.00 0.00 C ATOM 104 C ALA A 3 4.707 -10.357 8.446 1.00 0.00 C ATOM 105 O ALA A 3 4.087 -9.381 8.820 1.00 0.00 O ATOM 106 CB ALA A 3 3.753 -11.617 6.512 1.00 0.00 C ATOM 0 H ALA A 3 6.154 -12.306 6.473 1.00 0.00 H new ATOM 0 HA ALA A 3 4.817 -9.745 6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.786 -11.144 6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.864 -11.838 5.450 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.811 -12.543 7.084 1.00 0.00 H new ATOM 112 N LYS A 4 5.249 -11.182 9.298 1.00 0.00 N ATOM 113 CA LYS A 4 5.115 -10.940 10.761 1.00 0.00 C ATOM 114 C LYS A 4 5.739 -9.594 11.111 1.00 0.00 C ATOM 115 O LYS A 4 5.136 -8.763 11.762 1.00 0.00 O ATOM 116 CB LYS A 4 5.858 -12.040 11.512 1.00 0.00 C ATOM 117 CG LYS A 4 5.367 -13.398 11.024 1.00 0.00 C ATOM 118 CD LYS A 4 6.082 -14.512 11.794 1.00 0.00 C ATOM 119 CE LYS A 4 5.678 -14.458 13.269 1.00 0.00 C ATOM 120 NZ LYS A 4 6.672 -13.648 14.026 1.00 0.00 N ATOM 0 H LYS A 4 5.780 -12.015 9.043 1.00 0.00 H new ATOM 0 HA LYS A 4 4.061 -10.939 11.039 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.932 -11.948 11.348 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.690 -11.943 12.584 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.289 -13.478 11.166 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.556 -13.502 9.956 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.824 -15.483 11.371 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.162 -14.399 11.698 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.685 -14.021 13.369 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.626 -15.466 13.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.155 -14.252 14.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.371 -13.251 13.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.185 -12.874 14.520 1.00 0.00 H new ATOM 134 N LYS A 5 6.946 -9.378 10.683 1.00 0.00 N ATOM 135 CA LYS A 5 7.626 -8.090 10.985 1.00 0.00 C ATOM 136 C LYS A 5 6.848 -6.937 10.350 1.00 0.00 C ATOM 137 O LYS A 5 6.624 -5.912 10.965 1.00 0.00 O ATOM 138 CB LYS A 5 9.046 -8.126 10.420 1.00 0.00 C ATOM 139 CG LYS A 5 9.868 -9.176 11.168 1.00 0.00 C ATOM 140 CD LYS A 5 11.313 -9.144 10.670 1.00 0.00 C ATOM 141 CE LYS A 5 12.109 -10.270 11.335 1.00 0.00 C ATOM 142 NZ LYS A 5 12.626 -9.801 12.651 1.00 0.00 N ATOM 0 H LYS A 5 7.495 -10.040 10.134 1.00 0.00 H new ATOM 0 HA LYS A 5 7.667 -7.942 12.064 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.019 -8.361 9.356 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.513 -7.146 10.519 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.837 -8.981 12.240 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.440 -10.166 11.012 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.338 -9.258 9.586 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.766 -8.180 10.899 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.475 -11.146 11.472 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.937 -10.573 10.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.167 -10.565 13.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.244 -8.977 12.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.828 -9.533 13.262 1.00 0.00 H new ATOM 156 N GLY A 6 6.430 -7.095 9.124 1.00 0.00 N ATOM 157 CA GLY A 6 5.663 -6.008 8.452 1.00 0.00 C ATOM 158 C GLY A 6 4.299 -5.854 9.124 1.00 0.00 C ATOM 159 O GLY A 6 3.797 -4.761 9.291 1.00 0.00 O ATOM 0 H GLY A 6 6.586 -7.930 8.559 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.216 -5.070 8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.535 -6.239 7.395 1.00 0.00 H new ATOM 163 N ALA A 7 3.692 -6.945 9.508 1.00 0.00 N ATOM 164 CA ALA A 7 2.357 -6.861 10.165 1.00 0.00 C ATOM 165 C ALA A 7 2.473 -6.041 11.450 1.00 0.00 C ATOM 166 O ALA A 7 1.619 -5.236 11.763 1.00 0.00 O ATOM 167 CB ALA A 7 1.865 -8.269 10.501 1.00 0.00 C ATOM 0 H ALA A 7 4.063 -7.889 9.395 1.00 0.00 H new ATOM 0 HA ALA A 7 1.649 -6.381 9.490 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.889 -8.208 10.982 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.783 -8.854 9.585 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.572 -8.750 11.176 1.00 0.00 H new ATOM 173 N THR A 8 3.525 -6.235 12.195 1.00 0.00 N ATOM 174 CA THR A 8 3.695 -5.461 13.452 1.00 0.00 C ATOM 175 C THR A 8 3.904 -3.992 13.105 1.00 0.00 C ATOM 176 O THR A 8 3.276 -3.110 13.655 1.00 0.00 O ATOM 177 CB THR A 8 4.925 -5.981 14.192 1.00 0.00 C ATOM 178 OG1 THR A 8 6.094 -5.630 13.465 1.00 0.00 O ATOM 179 CG2 THR A 8 4.842 -7.501 14.321 1.00 0.00 C ATOM 0 H THR A 8 4.273 -6.896 11.986 1.00 0.00 H new ATOM 0 HA THR A 8 2.811 -5.570 14.080 1.00 0.00 H new ATOM 0 HB THR A 8 4.965 -5.537 15.187 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.132 -6.150 12.635 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.721 -7.870 14.850 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.944 -7.770 14.878 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.801 -7.949 13.328 1.00 0.00 H new ATOM 187 N LEU A 9 4.784 -3.732 12.183 1.00 0.00 N ATOM 188 CA LEU A 9 5.048 -2.326 11.771 1.00 0.00 C ATOM 189 C LEU A 9 3.781 -1.746 11.150 1.00 0.00 C ATOM 190 O LEU A 9 3.424 -0.605 11.368 1.00 0.00 O ATOM 191 CB LEU A 9 6.155 -2.311 10.725 1.00 0.00 C ATOM 192 CG LEU A 9 6.713 -0.895 10.610 1.00 0.00 C ATOM 193 CD1 LEU A 9 7.790 -0.677 11.675 1.00 0.00 C ATOM 194 CD2 LEU A 9 7.320 -0.704 9.227 1.00 0.00 C ATOM 0 H LEU A 9 5.336 -4.436 11.693 1.00 0.00 H new ATOM 0 HA LEU A 9 5.346 -1.737 12.639 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.947 -3.006 11.005 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.767 -2.642 9.762 1.00 0.00 H new ATOM 0 HG LEU A 9 5.909 -0.175 10.760 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.186 0.335 11.590 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.356 -0.815 12.665 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.596 -1.396 11.529 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.720 0.307 9.141 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.123 -1.426 9.079 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.552 -0.856 8.468 1.00 0.00 H new ATOM 206 N PHE A 10 3.108 -2.536 10.365 1.00 0.00 N ATOM 207 CA PHE A 10 1.863 -2.063 9.698 1.00 0.00 C ATOM 208 C PHE A 10 0.823 -1.673 10.753 1.00 0.00 C ATOM 209 O PHE A 10 0.258 -0.597 10.717 1.00 0.00 O ATOM 210 CB PHE A 10 1.309 -3.203 8.835 1.00 0.00 C ATOM 211 CG PHE A 10 0.156 -2.711 7.995 1.00 0.00 C ATOM 212 CD1 PHE A 10 -1.142 -2.694 8.523 1.00 0.00 C ATOM 213 CD2 PHE A 10 0.383 -2.277 6.684 1.00 0.00 C ATOM 214 CE1 PHE A 10 -2.210 -2.241 7.738 1.00 0.00 C ATOM 215 CE2 PHE A 10 -0.685 -1.825 5.899 1.00 0.00 C ATOM 216 CZ PHE A 10 -1.982 -1.807 6.426 1.00 0.00 C ATOM 0 H PHE A 10 3.369 -3.499 10.154 1.00 0.00 H new ATOM 0 HA PHE A 10 2.083 -1.193 9.079 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.096 -3.596 8.191 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.979 -4.024 9.472 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.319 -3.030 9.534 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.383 -2.291 6.277 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.210 -2.226 8.145 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.508 -1.490 4.887 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.806 -1.459 5.821 1.00 0.00 H new ATOM 226 N LYS A 11 0.565 -2.545 11.688 1.00 0.00 N ATOM 227 CA LYS A 11 -0.438 -2.242 12.748 1.00 0.00 C ATOM 228 C LYS A 11 0.009 -1.028 13.566 1.00 0.00 C ATOM 229 O LYS A 11 -0.789 -0.197 13.947 1.00 0.00 O ATOM 230 CB LYS A 11 -0.572 -3.459 13.668 1.00 0.00 C ATOM 231 CG LYS A 11 -1.691 -3.219 14.683 1.00 0.00 C ATOM 232 CD LYS A 11 -1.780 -4.414 15.635 1.00 0.00 C ATOM 233 CE LYS A 11 -2.981 -4.237 16.566 1.00 0.00 C ATOM 234 NZ LYS A 11 -3.800 -5.482 16.563 1.00 0.00 N ATOM 0 H LYS A 11 1.009 -3.460 11.764 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.398 -2.018 12.284 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.788 -4.350 13.079 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.369 -3.640 14.187 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.497 -2.306 15.246 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.641 -3.080 14.167 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.880 -5.339 15.067 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.863 -4.497 16.219 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.641 -4.015 17.578 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.586 -3.391 16.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.617 -5.362 17.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.136 -5.674 15.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.220 -6.280 16.893 1.00 0.00 H new ATOM 248 N THR A 12 1.276 -0.929 13.849 1.00 0.00 N ATOM 249 CA THR A 12 1.771 0.224 14.656 1.00 0.00 C ATOM 250 C THR A 12 1.996 1.445 13.762 1.00 0.00 C ATOM 251 O THR A 12 2.227 2.536 14.245 1.00 0.00 O ATOM 252 CB THR A 12 3.090 -0.161 15.330 1.00 0.00 C ATOM 253 OG1 THR A 12 4.073 -0.412 14.336 1.00 0.00 O ATOM 254 CG2 THR A 12 2.885 -1.416 16.179 1.00 0.00 C ATOM 0 H THR A 12 1.992 -1.595 13.558 1.00 0.00 H new ATOM 0 HA THR A 12 1.025 0.473 15.411 1.00 0.00 H new ATOM 0 HB THR A 12 3.423 0.656 15.971 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.934 -1.305 13.957 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.825 -1.689 16.658 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.132 -1.220 16.942 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.551 -2.235 15.542 1.00 0.00 H new ATOM 262 N ARG A 13 1.950 1.282 12.467 1.00 0.00 N ATOM 263 CA ARG A 13 2.185 2.455 11.577 1.00 0.00 C ATOM 264 C ARG A 13 1.374 2.330 10.286 1.00 0.00 C ATOM 265 O ARG A 13 1.887 2.551 9.208 1.00 0.00 O ATOM 266 CB ARG A 13 3.671 2.527 11.228 1.00 0.00 C ATOM 267 CG ARG A 13 4.485 2.788 12.498 1.00 0.00 C ATOM 268 CD ARG A 13 5.950 3.023 12.126 1.00 0.00 C ATOM 269 NE ARG A 13 6.774 3.080 13.366 1.00 0.00 N ATOM 270 CZ ARG A 13 6.687 4.111 14.162 1.00 0.00 C ATOM 271 NH1 ARG A 13 5.877 5.092 13.871 1.00 0.00 N ATOM 272 NH2 ARG A 13 7.409 4.160 15.248 1.00 0.00 N ATOM 0 H ARG A 13 1.762 0.399 11.992 1.00 0.00 H new ATOM 0 HA ARG A 13 1.872 3.359 12.100 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.991 1.594 10.764 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.846 3.321 10.502 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.089 3.656 13.025 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.403 1.939 13.176 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.305 2.222 11.477 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.050 3.953 11.567 1.00 0.00 H new ATOM 0 HE ARG A 13 7.407 2.313 13.593 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.313 5.053 13.022 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.808 5.898 14.492 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.041 3.393 15.475 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.341 4.966 15.870 1.00 0.00 H new ATOM 286 N CYS A 14 0.119 1.985 10.369 1.00 0.00 N ATOM 287 CA CYS A 14 -0.685 1.863 9.120 1.00 0.00 C ATOM 288 C CYS A 14 -2.156 1.619 9.459 1.00 0.00 C ATOM 289 O CYS A 14 -2.848 0.895 8.769 1.00 0.00 O ATOM 290 CB CYS A 14 -0.146 0.695 8.297 1.00 0.00 C ATOM 291 SG CYS A 14 -0.503 0.959 6.540 1.00 0.00 S ATOM 0 H CYS A 14 -0.380 1.784 11.236 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.609 2.788 8.548 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.929 0.599 8.448 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.600 -0.237 8.633 1.00 0.00 H new ATOM 296 N LEU A 15 -2.641 2.222 10.508 1.00 0.00 N ATOM 297 CA LEU A 15 -4.070 2.033 10.890 1.00 0.00 C ATOM 298 C LEU A 15 -4.842 3.324 10.607 1.00 0.00 C ATOM 299 O LEU A 15 -4.497 4.081 9.724 1.00 0.00 O ATOM 300 CB LEU A 15 -4.156 1.699 12.380 1.00 0.00 C ATOM 301 CG LEU A 15 -3.304 0.464 12.672 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.415 0.106 14.153 1.00 0.00 C ATOM 303 CD2 LEU A 15 -3.807 -0.710 11.828 1.00 0.00 C ATOM 0 H LEU A 15 -2.108 2.840 11.120 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.502 1.217 10.311 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.808 2.544 12.974 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.192 1.515 12.664 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.263 0.674 12.425 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.807 -0.775 14.361 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.061 0.942 14.757 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.456 -0.105 14.399 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.201 -1.592 12.034 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.848 -0.918 12.077 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.731 -0.457 10.771 1.00 0.00 H new ATOM 315 N GLN A 16 -5.881 3.577 11.357 1.00 0.00 N ATOM 316 CA GLN A 16 -6.688 4.818 11.149 1.00 0.00 C ATOM 317 C GLN A 16 -6.842 5.107 9.654 1.00 0.00 C ATOM 318 O GLN A 16 -7.127 6.219 9.258 1.00 0.00 O ATOM 319 CB GLN A 16 -6.005 6.012 11.836 1.00 0.00 C ATOM 320 CG GLN A 16 -4.621 6.270 11.222 1.00 0.00 C ATOM 321 CD GLN A 16 -4.082 7.606 11.735 1.00 0.00 C ATOM 322 OE1 GLN A 16 -4.794 8.358 12.370 1.00 0.00 O ATOM 323 NE2 GLN A 16 -2.844 7.936 11.485 1.00 0.00 N ATOM 0 H GLN A 16 -6.209 2.973 12.111 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.675 4.667 11.586 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.626 6.902 11.733 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.904 5.815 12.903 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.937 5.463 11.486 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.690 6.286 10.134 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.246 7.305 10.952 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.475 8.825 11.823 1.00 0.00 H new ATOM 332 N CYS A 17 -6.659 4.123 8.820 1.00 0.00 N ATOM 333 CA CYS A 17 -6.799 4.357 7.356 1.00 0.00 C ATOM 334 C CYS A 17 -7.105 3.038 6.654 1.00 0.00 C ATOM 335 O CYS A 17 -8.218 2.783 6.241 1.00 0.00 O ATOM 336 CB CYS A 17 -5.495 4.923 6.798 1.00 0.00 C ATOM 337 SG CYS A 17 -5.142 6.528 7.560 1.00 0.00 S ATOM 0 H CYS A 17 -6.419 3.168 9.088 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.611 5.064 7.185 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.676 4.231 6.992 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.570 5.033 5.716 1.00 0.00 H new ATOM 342 N HIS A 18 -6.122 2.193 6.518 1.00 0.00 N ATOM 343 CA HIS A 18 -6.359 0.887 5.842 1.00 0.00 C ATOM 344 C HIS A 18 -6.851 -0.122 6.882 1.00 0.00 C ATOM 345 O HIS A 18 -6.103 -0.586 7.720 1.00 0.00 O ATOM 346 CB HIS A 18 -5.056 0.393 5.201 1.00 0.00 C ATOM 347 CG HIS A 18 -4.654 1.326 4.089 1.00 0.00 C ATOM 348 ND1 HIS A 18 -5.280 1.310 2.849 1.00 0.00 N ATOM 349 CD2 HIS A 18 -3.689 2.305 4.010 1.00 0.00 C ATOM 350 CE1 HIS A 18 -4.692 2.248 2.082 1.00 0.00 C ATOM 351 NE2 HIS A 18 -3.722 2.877 2.743 1.00 0.00 N ATOM 0 H HIS A 18 -5.168 2.349 6.844 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.110 1.001 5.060 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.266 0.343 5.951 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.190 -0.616 4.812 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -6.047 0.698 2.570 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.014 2.584 4.805 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.971 2.463 1.061 1.00 0.00 H new ATOM 359 N THR A 19 -8.115 -0.450 6.839 1.00 0.00 N ATOM 360 CA THR A 19 -8.681 -1.413 7.828 1.00 0.00 C ATOM 361 C THR A 19 -7.944 -2.754 7.743 1.00 0.00 C ATOM 362 O THR A 19 -7.631 -3.363 8.746 1.00 0.00 O ATOM 363 CB THR A 19 -10.167 -1.620 7.523 1.00 0.00 C ATOM 364 OG1 THR A 19 -10.818 -0.358 7.484 1.00 0.00 O ATOM 365 CG2 THR A 19 -10.802 -2.486 8.610 1.00 0.00 C ATOM 0 H THR A 19 -8.783 -0.090 6.157 1.00 0.00 H new ATOM 0 HA THR A 19 -8.560 -1.013 8.835 1.00 0.00 H new ATOM 0 HB THR A 19 -10.273 -2.118 6.559 1.00 0.00 H new ATOM 0 HG1 THR A 19 -11.770 -0.487 7.291 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.859 -2.630 8.389 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.302 -3.454 8.642 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.698 -1.992 9.576 1.00 0.00 H new ATOM 373 N VAL A 20 -7.661 -3.213 6.555 1.00 0.00 N ATOM 374 CA VAL A 20 -6.939 -4.511 6.403 1.00 0.00 C ATOM 375 C VAL A 20 -7.464 -5.533 7.417 1.00 0.00 C ATOM 376 O VAL A 20 -6.749 -6.419 7.843 1.00 0.00 O ATOM 377 CB VAL A 20 -5.449 -4.287 6.636 1.00 0.00 C ATOM 378 CG1 VAL A 20 -4.664 -5.509 6.161 1.00 0.00 C ATOM 379 CG2 VAL A 20 -4.999 -3.056 5.852 1.00 0.00 C ATOM 0 H VAL A 20 -7.899 -2.745 5.680 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.105 -4.895 5.396 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.265 -4.134 7.699 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.600 -5.345 6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.988 -6.389 6.717 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.844 -5.666 5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.934 -2.890 6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.184 -3.214 4.789 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.558 -2.184 6.192 1.00 0.00 H new ATOM 389 N GLU A 21 -8.705 -5.425 7.804 1.00 0.00 N ATOM 390 CA GLU A 21 -9.266 -6.398 8.784 1.00 0.00 C ATOM 391 C GLU A 21 -9.806 -7.610 8.013 1.00 0.00 C ATOM 392 O GLU A 21 -10.670 -8.327 8.474 1.00 0.00 O ATOM 393 CB GLU A 21 -10.387 -5.728 9.586 1.00 0.00 C ATOM 394 CG GLU A 21 -10.723 -6.560 10.830 1.00 0.00 C ATOM 395 CD GLU A 21 -11.888 -5.910 11.577 1.00 0.00 C ATOM 396 OE1 GLU A 21 -12.382 -4.902 11.101 1.00 0.00 O ATOM 397 OE2 GLU A 21 -12.267 -6.432 12.613 1.00 0.00 O ATOM 0 H GLU A 21 -9.354 -4.706 7.485 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.494 -6.726 9.480 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.081 -4.725 9.883 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.274 -5.619 8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.985 -7.578 10.540 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.852 -6.628 11.481 1.00 0.00 H new ATOM 404 N LYS A 22 -9.293 -7.846 6.837 1.00 0.00 N ATOM 405 CA LYS A 22 -9.760 -9.007 6.037 1.00 0.00 C ATOM 406 C LYS A 22 -11.156 -8.719 5.467 1.00 0.00 C ATOM 407 O LYS A 22 -12.126 -9.375 5.790 1.00 0.00 O ATOM 408 CB LYS A 22 -9.789 -10.248 6.934 1.00 0.00 C ATOM 409 CG LYS A 22 -9.219 -11.439 6.168 1.00 0.00 C ATOM 410 CD LYS A 22 -7.690 -11.401 6.228 1.00 0.00 C ATOM 411 CE LYS A 22 -7.114 -12.430 5.256 1.00 0.00 C ATOM 412 NZ LYS A 22 -7.355 -13.803 5.784 1.00 0.00 N ATOM 0 H LYS A 22 -8.567 -7.281 6.396 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.080 -9.183 5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.207 -10.071 7.838 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.811 -10.459 7.249 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.587 -12.371 6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.554 -11.412 5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.331 -10.404 5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.350 -11.613 7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.578 -12.319 4.276 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.045 -12.262 5.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.904 -14.500 5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.951 -13.884 6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.378 -13.985 5.824 1.00 0.00 H new ATOM 426 N GLY A 23 -11.261 -7.741 4.609 1.00 0.00 N ATOM 427 CA GLY A 23 -12.587 -7.413 4.010 1.00 0.00 C ATOM 428 C GLY A 23 -13.377 -6.513 4.961 1.00 0.00 C ATOM 429 O GLY A 23 -14.592 -6.522 4.969 1.00 0.00 O ATOM 0 H GLY A 23 -10.487 -7.155 4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.449 -6.913 3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.144 -8.329 3.814 1.00 0.00 H new ATOM 433 N GLY A 24 -12.703 -5.734 5.760 1.00 0.00 N ATOM 434 CA GLY A 24 -13.424 -4.836 6.704 1.00 0.00 C ATOM 435 C GLY A 24 -13.798 -3.536 5.988 1.00 0.00 C ATOM 436 O GLY A 24 -13.340 -3.263 4.897 1.00 0.00 O ATOM 0 H GLY A 24 -11.685 -5.680 5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.322 -5.329 7.078 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.796 -4.620 7.568 1.00 0.00 H new ATOM 440 N PRO A 25 -14.628 -2.740 6.607 1.00 0.00 N ATOM 441 CA PRO A 25 -15.081 -1.439 6.036 1.00 0.00 C ATOM 442 C PRO A 25 -13.902 -0.550 5.631 1.00 0.00 C ATOM 443 O PRO A 25 -12.795 -0.722 6.101 1.00 0.00 O ATOM 444 CB PRO A 25 -15.886 -0.782 7.168 1.00 0.00 C ATOM 445 CG PRO A 25 -15.635 -1.601 8.395 1.00 0.00 C ATOM 446 CD PRO A 25 -15.222 -2.991 7.921 1.00 0.00 C ATOM 0 HA PRO A 25 -15.665 -1.583 5.127 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.572 0.251 7.319 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.949 -0.760 6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.851 -1.152 9.006 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.531 -1.654 9.014 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.508 -3.452 8.603 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.078 -3.663 7.853 1.00 0.00 H new ATOM 454 N HIS A 26 -14.126 0.395 4.759 1.00 0.00 N ATOM 455 CA HIS A 26 -13.008 1.281 4.327 1.00 0.00 C ATOM 456 C HIS A 26 -13.057 2.592 5.111 1.00 0.00 C ATOM 457 O HIS A 26 -14.111 3.157 5.333 1.00 0.00 O ATOM 458 CB HIS A 26 -13.142 1.602 2.837 1.00 0.00 C ATOM 459 CG HIS A 26 -13.320 0.334 2.048 1.00 0.00 C ATOM 460 ND1 HIS A 26 -12.248 -0.345 1.484 1.00 0.00 N ATOM 461 CD2 HIS A 26 -14.440 -0.382 1.705 1.00 0.00 C ATOM 462 CE1 HIS A 26 -12.743 -1.416 0.836 1.00 0.00 C ATOM 463 NE2 HIS A 26 -14.071 -1.484 0.942 1.00 0.00 N ATOM 0 H HIS A 26 -15.030 0.591 4.329 1.00 0.00 H new ATOM 0 HA HIS A 26 -12.064 0.768 4.513 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -13.994 2.263 2.675 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.256 2.133 2.491 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.452 -0.128 1.985 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.140 -2.132 0.297 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.686 -2.195 0.546 1.00 0.00 H new ATOM 472 N LYS A 27 -11.922 3.088 5.517 1.00 0.00 N ATOM 473 CA LYS A 27 -11.891 4.371 6.269 1.00 0.00 C ATOM 474 C LYS A 27 -11.374 5.466 5.335 1.00 0.00 C ATOM 475 O LYS A 27 -11.808 5.582 4.207 1.00 0.00 O ATOM 476 CB LYS A 27 -10.957 4.237 7.475 1.00 0.00 C ATOM 477 CG LYS A 27 -11.490 3.156 8.416 1.00 0.00 C ATOM 478 CD LYS A 27 -10.624 3.103 9.676 1.00 0.00 C ATOM 479 CE LYS A 27 -11.074 1.938 10.559 1.00 0.00 C ATOM 480 NZ LYS A 27 -11.007 2.346 11.991 1.00 0.00 N ATOM 0 H LYS A 27 -11.011 2.657 5.359 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.890 4.623 6.623 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.951 3.981 7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.886 5.189 8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.525 3.369 8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.482 2.188 7.916 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.575 2.982 9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.705 4.041 10.225 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.091 1.644 10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.438 1.070 10.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.313 1.554 12.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.030 2.607 12.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.632 3.162 12.149 1.00 0.00 H new ATOM 494 N VAL A 28 -10.445 6.264 5.783 1.00 0.00 N ATOM 495 CA VAL A 28 -9.906 7.333 4.900 1.00 0.00 C ATOM 496 C VAL A 28 -9.260 6.686 3.674 1.00 0.00 C ATOM 497 O VAL A 28 -9.352 7.192 2.573 1.00 0.00 O ATOM 498 CB VAL A 28 -8.855 8.145 5.658 1.00 0.00 C ATOM 499 CG1 VAL A 28 -8.208 9.157 4.711 1.00 0.00 C ATOM 500 CG2 VAL A 28 -9.522 8.888 6.817 1.00 0.00 C ATOM 0 H VAL A 28 -10.038 6.222 6.717 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.715 7.994 4.589 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.091 7.472 6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.459 9.735 5.253 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.731 8.629 3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.972 9.829 4.320 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.773 9.467 7.357 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.287 9.559 6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.982 8.168 7.494 1.00 0.00 H new ATOM 510 N GLY A 29 -8.606 5.570 3.862 1.00 0.00 N ATOM 511 CA GLY A 29 -7.948 4.881 2.715 1.00 0.00 C ATOM 512 C GLY A 29 -8.640 3.538 2.455 1.00 0.00 C ATOM 513 O GLY A 29 -9.334 3.013 3.302 1.00 0.00 O ATOM 0 H GLY A 29 -8.499 5.105 4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.000 5.507 1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.892 4.721 2.931 1.00 0.00 H new ATOM 517 N PRO A 30 -8.450 2.996 1.281 1.00 0.00 N ATOM 518 CA PRO A 30 -9.061 1.695 0.875 1.00 0.00 C ATOM 519 C PRO A 30 -8.641 0.535 1.785 1.00 0.00 C ATOM 520 O PRO A 30 -7.642 0.599 2.474 1.00 0.00 O ATOM 521 CB PRO A 30 -8.558 1.463 -0.555 1.00 0.00 C ATOM 522 CG PRO A 30 -7.418 2.408 -0.756 1.00 0.00 C ATOM 523 CD PRO A 30 -7.626 3.571 0.212 1.00 0.00 C ATOM 0 HA PRO A 30 -10.148 1.735 0.947 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.236 0.431 -0.691 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.350 1.649 -1.281 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.467 1.911 -0.564 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.389 2.764 -1.786 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.677 3.946 0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.127 4.409 -0.272 1.00 0.00 H new ATOM 531 N ASN A 31 -9.407 -0.524 1.792 1.00 0.00 N ATOM 532 CA ASN A 31 -9.069 -1.695 2.653 1.00 0.00 C ATOM 533 C ASN A 31 -7.642 -2.166 2.366 1.00 0.00 C ATOM 534 O ASN A 31 -6.980 -2.697 3.229 1.00 0.00 O ATOM 535 CB ASN A 31 -10.044 -2.840 2.373 1.00 0.00 C ATOM 536 CG ASN A 31 -9.877 -3.925 3.438 1.00 0.00 C ATOM 537 OD1 ASN A 31 -9.055 -3.801 4.324 1.00 0.00 O ATOM 538 ND2 ASN A 31 -10.628 -4.991 3.390 1.00 0.00 N ATOM 0 H ASN A 31 -10.256 -0.628 1.236 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.145 -1.395 3.698 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.069 -2.468 2.375 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.858 -3.256 1.383 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.525 -5.720 4.096 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.318 -5.095 2.646 1.00 0.00 H new ATOM 545 N LEU A 32 -7.170 -1.987 1.160 1.00 0.00 N ATOM 546 CA LEU A 32 -5.787 -2.433 0.819 1.00 0.00 C ATOM 547 C LEU A 32 -5.738 -3.961 0.802 1.00 0.00 C ATOM 548 O LEU A 32 -4.684 -4.559 0.729 1.00 0.00 O ATOM 549 CB LEU A 32 -4.801 -1.901 1.867 1.00 0.00 C ATOM 550 CG LEU A 32 -3.387 -1.848 1.284 1.00 0.00 C ATOM 551 CD1 LEU A 32 -3.343 -0.836 0.138 1.00 0.00 C ATOM 552 CD2 LEU A 32 -2.414 -1.398 2.374 1.00 0.00 C ATOM 0 H LEU A 32 -7.684 -1.550 0.395 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.512 -2.047 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.106 -0.906 2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.815 -2.542 2.748 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.110 -2.835 0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.336 -0.799 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.045 -1.137 -0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.618 0.150 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.404 -1.358 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.700 -0.409 2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.443 -2.106 3.202 1.00 0.00 H new ATOM 564 N HIS A 33 -6.874 -4.595 0.869 1.00 0.00 N ATOM 565 CA HIS A 33 -6.900 -6.082 0.857 1.00 0.00 C ATOM 566 C HIS A 33 -7.206 -6.577 -0.557 1.00 0.00 C ATOM 567 O HIS A 33 -7.265 -7.764 -0.808 1.00 0.00 O ATOM 568 CB HIS A 33 -7.978 -6.579 1.820 1.00 0.00 C ATOM 569 CG HIS A 33 -7.378 -7.596 2.749 1.00 0.00 C ATOM 570 ND1 HIS A 33 -6.423 -7.259 3.698 1.00 0.00 N ATOM 571 CD2 HIS A 33 -7.580 -8.947 2.883 1.00 0.00 C ATOM 572 CE1 HIS A 33 -6.086 -8.385 4.353 1.00 0.00 C ATOM 573 NE2 HIS A 33 -6.763 -9.440 3.894 1.00 0.00 N ATOM 0 H HIS A 33 -7.788 -4.146 0.932 1.00 0.00 H new ATOM 0 HA HIS A 33 -5.929 -6.466 1.170 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.387 -5.744 2.390 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.805 -7.020 1.263 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -6.045 -6.327 3.868 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.267 -9.536 2.294 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.359 -8.430 5.150 1.00 0.00 H new ATOM 582 N GLY A 34 -7.406 -5.679 -1.482 1.00 0.00 N ATOM 583 CA GLY A 34 -7.709 -6.108 -2.876 1.00 0.00 C ATOM 584 C GLY A 34 -7.301 -5.013 -3.866 1.00 0.00 C ATOM 585 O GLY A 34 -7.782 -4.968 -4.981 1.00 0.00 O ATOM 0 H GLY A 34 -7.373 -4.670 -1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.177 -7.031 -3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.773 -6.321 -2.976 1.00 0.00 H new ATOM 589 N ILE A 35 -6.419 -4.129 -3.478 1.00 0.00 N ATOM 590 CA ILE A 35 -5.999 -3.050 -4.419 1.00 0.00 C ATOM 591 C ILE A 35 -5.330 -3.670 -5.647 1.00 0.00 C ATOM 592 O ILE A 35 -5.220 -3.046 -6.684 1.00 0.00 O ATOM 593 CB ILE A 35 -5.028 -2.080 -3.730 1.00 0.00 C ATOM 594 CG1 ILE A 35 -4.871 -0.838 -4.605 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.656 -2.729 -3.533 1.00 0.00 C ATOM 596 CD1 ILE A 35 -4.040 0.208 -3.868 1.00 0.00 C ATOM 0 H ILE A 35 -5.975 -4.107 -2.560 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.883 -2.493 -4.729 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.430 -1.814 -2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.389 -1.103 -5.546 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.851 -0.430 -4.853 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.986 -2.022 -3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.760 -3.619 -2.913 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.243 -3.008 -4.502 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.930 1.093 -4.495 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.540 0.481 -2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.055 -0.202 -3.643 1.00 0.00 H new ATOM 608 N PHE A 36 -4.877 -4.889 -5.542 1.00 0.00 N ATOM 609 CA PHE A 36 -4.213 -5.535 -6.708 1.00 0.00 C ATOM 610 C PHE A 36 -5.261 -6.252 -7.562 1.00 0.00 C ATOM 611 O PHE A 36 -6.094 -6.984 -7.062 1.00 0.00 O ATOM 612 CB PHE A 36 -3.179 -6.545 -6.210 1.00 0.00 C ATOM 613 CG PHE A 36 -2.090 -5.816 -5.461 1.00 0.00 C ATOM 614 CD1 PHE A 36 -0.976 -5.323 -6.152 1.00 0.00 C ATOM 615 CD2 PHE A 36 -2.193 -5.629 -4.077 1.00 0.00 C ATOM 616 CE1 PHE A 36 0.033 -4.647 -5.459 1.00 0.00 C ATOM 617 CE2 PHE A 36 -1.184 -4.952 -3.384 1.00 0.00 C ATOM 618 CZ PHE A 36 -0.070 -4.460 -4.075 1.00 0.00 C ATOM 0 H PHE A 36 -4.938 -5.464 -4.702 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.716 -4.774 -7.310 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.655 -7.279 -5.560 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.754 -7.092 -7.051 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.896 -5.465 -7.220 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.053 -6.008 -3.544 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.893 -4.269 -5.992 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.264 -4.809 -2.317 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.709 -3.937 -3.541 1.00 0.00 H new ATOM 628 N GLY A 37 -5.226 -6.039 -8.848 1.00 0.00 N ATOM 629 CA GLY A 37 -6.216 -6.692 -9.750 1.00 0.00 C ATOM 630 C GLY A 37 -6.075 -6.092 -11.149 1.00 0.00 C ATOM 631 O GLY A 37 -5.015 -5.642 -11.531 1.00 0.00 O ATOM 0 H GLY A 37 -4.549 -5.436 -9.316 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.046 -7.768 -9.782 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.228 -6.540 -9.374 1.00 0.00 H new ATOM 635 N ARG A 38 -7.128 -6.074 -11.918 1.00 0.00 N ATOM 636 CA ARG A 38 -7.029 -5.488 -13.285 1.00 0.00 C ATOM 637 C ARG A 38 -6.613 -4.017 -13.182 1.00 0.00 C ATOM 638 O ARG A 38 -5.585 -3.694 -12.621 1.00 0.00 O ATOM 639 CB ARG A 38 -8.380 -5.601 -13.997 1.00 0.00 C ATOM 640 CG ARG A 38 -9.498 -5.077 -13.090 1.00 0.00 C ATOM 641 CD ARG A 38 -10.834 -5.195 -13.823 1.00 0.00 C ATOM 642 NE ARG A 38 -11.925 -4.672 -12.954 1.00 0.00 N ATOM 643 CZ ARG A 38 -12.108 -3.385 -12.839 1.00 0.00 C ATOM 644 NH1 ARG A 38 -11.340 -2.555 -13.490 1.00 0.00 N ATOM 645 NH2 ARG A 38 -13.061 -2.928 -12.073 1.00 0.00 N ATOM 0 H ARG A 38 -8.046 -6.437 -11.662 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.280 -6.033 -13.859 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.359 -5.032 -14.927 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.574 -6.640 -14.263 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.527 -5.647 -12.161 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.308 -4.038 -12.820 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.799 -4.635 -14.758 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.028 -6.236 -14.082 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.529 -5.320 -12.449 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.596 -2.912 -14.089 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.484 -1.549 -13.400 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.662 -3.577 -11.565 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.205 -1.922 -11.983 1.00 0.00 H new ATOM 659 N HIS A 39 -7.397 -3.121 -13.715 1.00 0.00 N ATOM 660 CA HIS A 39 -7.035 -1.679 -13.640 1.00 0.00 C ATOM 661 C HIS A 39 -7.038 -1.233 -12.182 1.00 0.00 C ATOM 662 O HIS A 39 -7.695 -1.818 -11.344 1.00 0.00 O ATOM 663 CB HIS A 39 -8.051 -0.845 -14.426 1.00 0.00 C ATOM 664 CG HIS A 39 -8.722 -1.700 -15.468 1.00 0.00 C ATOM 665 ND1 HIS A 39 -8.303 -2.815 -16.153 1.00 0.00 N flip ATOM 666 CD2 HIS A 39 -10.005 -1.436 -15.925 1.00 0.00 C flip ATOM 667 CE1 HIS A 39 -9.308 -3.231 -17.019 1.00 0.00 C flip ATOM 668 NE2 HIS A 39 -10.311 -2.370 -16.844 1.00 0.00 N flip ATOM 0 H HIS A 39 -8.272 -3.325 -14.199 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.043 -1.535 -14.069 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.797 -0.431 -13.747 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.551 -0.002 -14.902 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -7.395 -3.267 -16.043 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.643 -0.627 -15.602 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.282 -4.075 -17.692 1.00 0.00 H new ATOM 677 N SER A 40 -6.297 -0.209 -11.868 1.00 0.00 N ATOM 678 CA SER A 40 -6.244 0.261 -10.463 1.00 0.00 C ATOM 679 C SER A 40 -7.618 0.761 -10.011 1.00 0.00 C ATOM 680 O SER A 40 -8.494 1.022 -10.812 1.00 0.00 O ATOM 681 CB SER A 40 -5.228 1.394 -10.350 1.00 0.00 C ATOM 682 OG SER A 40 -5.678 2.504 -11.111 1.00 0.00 O ATOM 0 H SER A 40 -5.726 0.321 -12.526 1.00 0.00 H new ATOM 0 HA SER A 40 -5.948 -0.571 -9.824 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.101 1.681 -9.306 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.254 1.062 -10.710 1.00 0.00 H new ATOM 0 HG SER A 40 -5.217 3.315 -10.811 1.00 0.00 H new ATOM 688 N GLY A 41 -7.804 0.894 -8.725 1.00 0.00 N ATOM 689 CA GLY A 41 -9.113 1.377 -8.198 1.00 0.00 C ATOM 690 C GLY A 41 -10.175 0.290 -8.378 1.00 0.00 C ATOM 691 O GLY A 41 -10.822 0.208 -9.402 1.00 0.00 O ATOM 0 H GLY A 41 -7.102 0.688 -8.014 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.018 1.635 -7.143 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.415 2.284 -8.722 1.00 0.00 H new ATOM 695 N GLN A 42 -10.356 -0.550 -7.390 1.00 0.00 N ATOM 696 CA GLN A 42 -11.374 -1.637 -7.513 1.00 0.00 C ATOM 697 C GLN A 42 -12.206 -1.739 -6.229 1.00 0.00 C ATOM 698 O GLN A 42 -13.113 -2.542 -6.135 1.00 0.00 O ATOM 699 CB GLN A 42 -10.661 -2.968 -7.759 1.00 0.00 C ATOM 700 CG GLN A 42 -9.874 -2.889 -9.068 1.00 0.00 C ATOM 701 CD GLN A 42 -8.376 -2.963 -8.768 1.00 0.00 C ATOM 702 OE1 GLN A 42 -7.640 -1.899 -8.932 1.00 0.00 O flip ATOM 703 NE2 GLN A 42 -7.872 -3.996 -8.377 1.00 0.00 N flip ATOM 0 H GLN A 42 -9.845 -0.530 -6.507 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.038 -1.407 -8.346 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.989 -3.191 -6.931 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.388 -3.779 -7.807 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.164 -3.706 -9.729 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.106 -1.960 -9.589 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.448 -4.828 -8.249 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.873 -4.032 -8.177 1.00 0.00 H new ATOM 712 N ALA A 43 -11.909 -0.943 -5.238 1.00 0.00 N ATOM 713 CA ALA A 43 -12.694 -1.019 -3.970 1.00 0.00 C ATOM 714 C ALA A 43 -14.118 -0.514 -4.217 1.00 0.00 C ATOM 715 O ALA A 43 -14.323 0.562 -4.743 1.00 0.00 O ATOM 716 CB ALA A 43 -12.022 -0.153 -2.903 1.00 0.00 C ATOM 0 H ALA A 43 -11.163 -0.248 -5.249 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.732 -2.053 -3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.594 -0.208 -1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.009 -0.515 -2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.983 0.881 -3.245 1.00 0.00 H new ATOM 722 N GLU A 44 -15.107 -1.284 -3.842 1.00 0.00 N ATOM 723 CA GLU A 44 -16.516 -0.848 -4.058 1.00 0.00 C ATOM 724 C GLU A 44 -16.923 0.159 -2.977 1.00 0.00 C ATOM 725 O GLU A 44 -17.380 1.246 -3.272 1.00 0.00 O ATOM 726 CB GLU A 44 -17.440 -2.066 -3.989 1.00 0.00 C ATOM 727 CG GLU A 44 -17.103 -3.028 -5.130 1.00 0.00 C ATOM 728 CD GLU A 44 -18.066 -4.215 -5.100 1.00 0.00 C ATOM 729 OE1 GLU A 44 -18.804 -4.329 -4.134 1.00 0.00 O ATOM 730 OE2 GLU A 44 -18.051 -4.989 -6.043 1.00 0.00 O ATOM 0 H GLU A 44 -14.998 -2.195 -3.396 1.00 0.00 H new ATOM 0 HA GLU A 44 -16.599 -0.376 -5.037 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -17.325 -2.569 -3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -18.481 -1.751 -4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.175 -2.512 -6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -16.075 -3.378 -5.033 1.00 0.00 H new ATOM 737 N GLY A 45 -16.762 -0.192 -1.729 1.00 0.00 N ATOM 738 CA GLY A 45 -17.141 0.751 -0.636 1.00 0.00 C ATOM 739 C GLY A 45 -16.313 2.029 -0.761 1.00 0.00 C ATOM 740 O GLY A 45 -16.798 3.122 -0.552 1.00 0.00 O ATOM 0 H GLY A 45 -16.386 -1.088 -1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.204 0.986 -0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.970 0.287 0.335 1.00 0.00 H new ATOM 744 N TYR A 46 -15.065 1.894 -1.110 1.00 0.00 N ATOM 745 CA TYR A 46 -14.194 3.092 -1.263 1.00 0.00 C ATOM 746 C TYR A 46 -14.011 3.393 -2.751 1.00 0.00 C ATOM 747 O TYR A 46 -13.853 2.499 -3.559 1.00 0.00 O ATOM 748 CB TYR A 46 -12.833 2.821 -0.617 1.00 0.00 C ATOM 749 CG TYR A 46 -11.879 3.931 -0.975 1.00 0.00 C ATOM 750 CD1 TYR A 46 -11.803 5.083 -0.183 1.00 0.00 C ATOM 751 CD2 TYR A 46 -11.072 3.805 -2.108 1.00 0.00 C ATOM 752 CE1 TYR A 46 -10.918 6.110 -0.531 1.00 0.00 C ATOM 753 CE2 TYR A 46 -10.186 4.829 -2.456 1.00 0.00 C ATOM 754 CZ TYR A 46 -10.108 5.984 -1.668 1.00 0.00 C ATOM 755 OH TYR A 46 -9.237 6.997 -2.011 1.00 0.00 O ATOM 0 H TYR A 46 -14.608 1.001 -1.297 1.00 0.00 H new ATOM 0 HA TYR A 46 -14.657 3.949 -0.773 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.939 2.753 0.466 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -12.440 1.864 -0.960 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -12.426 5.179 0.694 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.133 2.915 -2.716 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.859 7.001 0.077 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.562 4.729 -3.332 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.130 7.608 -1.252 1.00 0.00 H new ATOM 765 N SER A 47 -14.042 4.645 -3.120 1.00 0.00 N ATOM 766 CA SER A 47 -13.881 5.008 -4.558 1.00 0.00 C ATOM 767 C SER A 47 -12.562 5.757 -4.758 1.00 0.00 C ATOM 768 O SER A 47 -12.123 6.503 -3.905 1.00 0.00 O ATOM 769 CB SER A 47 -15.044 5.904 -4.987 1.00 0.00 C ATOM 770 OG SER A 47 -14.944 6.168 -6.380 1.00 0.00 O ATOM 0 H SER A 47 -14.172 5.434 -2.487 1.00 0.00 H new ATOM 0 HA SER A 47 -13.874 4.100 -5.161 1.00 0.00 H new ATOM 0 HB2 SER A 47 -15.994 5.418 -4.765 1.00 0.00 H new ATOM 0 HB3 SER A 47 -15.025 6.838 -4.426 1.00 0.00 H new ATOM 0 HG SER A 47 -15.689 6.741 -6.659 1.00 0.00 H new ATOM 776 N TYR A 48 -11.931 5.563 -5.883 1.00 0.00 N ATOM 777 CA TYR A 48 -10.642 6.262 -6.151 1.00 0.00 C ATOM 778 C TYR A 48 -10.896 7.450 -7.076 1.00 0.00 C ATOM 779 O TYR A 48 -11.936 7.556 -7.695 1.00 0.00 O ATOM 780 CB TYR A 48 -9.663 5.304 -6.832 1.00 0.00 C ATOM 781 CG TYR A 48 -9.374 4.136 -5.923 1.00 0.00 C ATOM 782 CD1 TYR A 48 -10.356 3.164 -5.698 1.00 0.00 C ATOM 783 CD2 TYR A 48 -8.123 4.024 -5.306 1.00 0.00 C ATOM 784 CE1 TYR A 48 -10.084 2.079 -4.859 1.00 0.00 C ATOM 785 CE2 TYR A 48 -7.852 2.938 -4.466 1.00 0.00 C ATOM 786 CZ TYR A 48 -8.833 1.965 -4.242 1.00 0.00 C ATOM 787 OH TYR A 48 -8.567 0.895 -3.413 1.00 0.00 O ATOM 0 H TYR A 48 -12.253 4.949 -6.631 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.218 6.606 -5.207 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.083 4.949 -7.773 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.737 5.826 -7.073 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.322 3.252 -6.172 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.367 4.776 -5.478 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.841 1.328 -4.687 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.886 2.851 -3.991 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.653 0.968 -3.068 1.00 0.00 H new ATOM 797 N THR A 49 -9.955 8.344 -7.180 1.00 0.00 N ATOM 798 CA THR A 49 -10.148 9.521 -8.069 1.00 0.00 C ATOM 799 C THR A 49 -10.076 9.063 -9.524 1.00 0.00 C ATOM 800 O THR A 49 -9.567 8.002 -9.826 1.00 0.00 O ATOM 801 CB THR A 49 -9.040 10.548 -7.821 1.00 0.00 C ATOM 802 OG1 THR A 49 -8.045 10.407 -8.822 1.00 0.00 O ATOM 803 CG2 THR A 49 -8.413 10.310 -6.447 1.00 0.00 C ATOM 0 H THR A 49 -9.062 8.311 -6.689 1.00 0.00 H new ATOM 0 HA THR A 49 -11.118 9.974 -7.861 1.00 0.00 H new ATOM 0 HB THR A 49 -9.461 11.553 -7.855 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.666 11.286 -9.032 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.625 11.043 -6.275 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.177 10.411 -5.676 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.989 9.306 -6.409 1.00 0.00 H new ATOM 811 N ASP A 50 -10.574 9.855 -10.428 1.00 0.00 N ATOM 812 CA ASP A 50 -10.526 9.470 -11.862 1.00 0.00 C ATOM 813 C ASP A 50 -9.071 9.220 -12.268 1.00 0.00 C ATOM 814 O ASP A 50 -8.787 8.435 -13.150 1.00 0.00 O ATOM 815 CB ASP A 50 -11.108 10.600 -12.715 1.00 0.00 C ATOM 816 CG ASP A 50 -12.609 10.721 -12.446 1.00 0.00 C ATOM 817 OD1 ASP A 50 -13.156 9.821 -11.831 1.00 0.00 O ATOM 818 OD2 ASP A 50 -13.187 11.712 -12.863 1.00 0.00 O ATOM 0 H ASP A 50 -11.013 10.755 -10.235 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.111 8.563 -12.017 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.609 11.540 -12.481 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.932 10.400 -13.772 1.00 0.00 H new ATOM 823 N ALA A 51 -8.151 9.898 -11.640 1.00 0.00 N ATOM 824 CA ALA A 51 -6.714 9.719 -11.996 1.00 0.00 C ATOM 825 C ALA A 51 -6.298 8.251 -11.842 1.00 0.00 C ATOM 826 O ALA A 51 -5.792 7.648 -12.767 1.00 0.00 O ATOM 827 CB ALA A 51 -5.857 10.591 -11.075 1.00 0.00 C ATOM 0 H ALA A 51 -8.332 10.570 -10.894 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.568 10.014 -13.035 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.805 10.465 -11.330 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.138 11.637 -11.199 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.017 10.293 -10.039 1.00 0.00 H new ATOM 833 N ASN A 52 -6.499 7.668 -10.692 1.00 0.00 N ATOM 834 CA ASN A 52 -6.100 6.239 -10.511 1.00 0.00 C ATOM 835 C ASN A 52 -6.861 5.350 -11.498 1.00 0.00 C ATOM 836 O ASN A 52 -6.298 4.471 -12.119 1.00 0.00 O ATOM 837 CB ASN A 52 -6.422 5.788 -9.085 1.00 0.00 C ATOM 838 CG ASN A 52 -5.844 4.390 -8.855 1.00 0.00 C ATOM 839 OD1 ASN A 52 -4.894 3.999 -9.502 1.00 0.00 O ATOM 840 ND2 ASN A 52 -6.383 3.613 -7.955 1.00 0.00 N ATOM 0 H ASN A 52 -6.918 8.112 -9.875 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.029 6.150 -10.694 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.002 6.491 -8.365 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.501 5.778 -8.929 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.006 2.679 -7.796 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.181 3.940 -7.411 1.00 0.00 H new ATOM 847 N ILE A 53 -8.140 5.561 -11.636 1.00 0.00 N ATOM 848 CA ILE A 53 -8.947 4.715 -12.566 1.00 0.00 C ATOM 849 C ILE A 53 -8.577 4.999 -14.027 1.00 0.00 C ATOM 850 O ILE A 53 -8.268 4.098 -14.782 1.00 0.00 O ATOM 851 CB ILE A 53 -10.432 5.013 -12.354 1.00 0.00 C ATOM 852 CG1 ILE A 53 -10.810 4.705 -10.903 1.00 0.00 C ATOM 853 CG2 ILE A 53 -11.267 4.142 -13.294 1.00 0.00 C ATOM 854 CD1 ILE A 53 -12.264 5.112 -10.656 1.00 0.00 C ATOM 0 H ILE A 53 -8.665 6.284 -11.144 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.737 3.667 -12.354 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.626 6.064 -12.566 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.679 3.642 -10.700 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.150 5.243 -10.222 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.325 4.354 -13.143 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.997 4.360 -14.327 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.074 3.090 -13.083 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.533 4.892 -9.623 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.380 6.180 -10.842 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.917 4.554 -11.327 1.00 0.00 H new ATOM 866 N LYS A 54 -8.624 6.236 -14.437 1.00 0.00 N ATOM 867 CA LYS A 54 -8.296 6.567 -15.852 1.00 0.00 C ATOM 868 C LYS A 54 -6.856 6.170 -16.178 1.00 0.00 C ATOM 869 O LYS A 54 -6.545 5.795 -17.291 1.00 0.00 O ATOM 870 CB LYS A 54 -8.479 8.067 -16.078 1.00 0.00 C ATOM 871 CG LYS A 54 -9.966 8.414 -15.981 1.00 0.00 C ATOM 872 CD LYS A 54 -10.177 9.880 -16.366 1.00 0.00 C ATOM 873 CE LYS A 54 -11.661 10.231 -16.238 1.00 0.00 C ATOM 874 NZ LYS A 54 -11.802 11.635 -15.760 1.00 0.00 N ATOM 0 H LYS A 54 -8.876 7.033 -13.852 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.966 6.011 -16.507 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.913 8.630 -15.336 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.091 8.349 -17.057 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.544 7.767 -16.641 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.325 8.238 -14.967 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.582 10.526 -15.720 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.838 10.051 -17.388 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.158 10.112 -17.201 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.148 9.548 -15.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.418 11.656 -14.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.866 12.013 -15.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.221 12.218 -16.513 1.00 0.00 H new ATOM 888 N LYS A 55 -5.973 6.252 -15.226 1.00 0.00 N ATOM 889 CA LYS A 55 -4.557 5.882 -15.498 1.00 0.00 C ATOM 890 C LYS A 55 -4.496 4.435 -15.990 1.00 0.00 C ATOM 891 O LYS A 55 -3.703 4.094 -16.845 1.00 0.00 O ATOM 892 CB LYS A 55 -3.736 6.024 -14.210 1.00 0.00 C ATOM 893 CG LYS A 55 -2.250 5.758 -14.493 1.00 0.00 C ATOM 894 CD LYS A 55 -1.608 6.999 -15.124 1.00 0.00 C ATOM 895 CE LYS A 55 -0.091 6.808 -15.191 1.00 0.00 C ATOM 896 NZ LYS A 55 0.355 6.862 -16.613 1.00 0.00 N ATOM 0 H LYS A 55 -6.168 6.558 -14.273 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.147 6.542 -16.262 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.861 7.026 -13.799 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.101 5.324 -13.459 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.735 5.502 -13.567 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.146 4.904 -15.162 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.010 7.161 -16.124 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.848 7.885 -14.536 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.410 7.584 -14.612 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.186 5.851 -14.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.386 6.732 -16.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.113 6.106 -17.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.104 7.785 -17.021 1.00 0.00 H new ATOM 910 N ASN A 56 -5.320 3.579 -15.452 1.00 0.00 N ATOM 911 CA ASN A 56 -5.296 2.155 -15.887 1.00 0.00 C ATOM 912 C ASN A 56 -3.866 1.632 -15.776 1.00 0.00 C ATOM 913 O ASN A 56 -3.399 0.876 -16.606 1.00 0.00 O ATOM 914 CB ASN A 56 -5.770 2.049 -17.339 1.00 0.00 C ATOM 915 CG ASN A 56 -5.828 0.577 -17.756 1.00 0.00 C ATOM 916 OD1 ASN A 56 -6.788 -0.184 -17.303 1.00 0.00 O flip ATOM 917 ND2 ASN A 56 -4.988 0.112 -18.501 1.00 0.00 N flip ATOM 0 H ASN A 56 -6.007 3.803 -14.732 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.959 1.565 -15.254 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.754 2.506 -17.445 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.092 2.596 -17.994 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.237 0.704 -18.856 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.034 -0.871 -18.771 1.00 0.00 H new ATOM 924 N VAL A 57 -3.166 2.038 -14.755 1.00 0.00 N ATOM 925 CA VAL A 57 -1.761 1.582 -14.577 1.00 0.00 C ATOM 926 C VAL A 57 -1.730 0.108 -14.180 1.00 0.00 C ATOM 927 O VAL A 57 -0.781 -0.595 -14.459 1.00 0.00 O ATOM 928 CB VAL A 57 -1.098 2.404 -13.477 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.088 2.612 -12.330 1.00 0.00 C ATOM 930 CG2 VAL A 57 0.122 1.650 -12.955 1.00 0.00 C ATOM 0 H VAL A 57 -3.509 2.670 -14.032 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.227 1.713 -15.518 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.793 3.371 -13.877 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.615 3.200 -11.543 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.967 3.141 -12.699 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.389 1.644 -11.929 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.601 2.233 -12.168 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.190 0.686 -12.554 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.828 1.492 -13.770 1.00 0.00 H new ATOM 940 N LEU A 58 -2.749 -0.361 -13.514 1.00 0.00 N ATOM 941 CA LEU A 58 -2.763 -1.787 -13.082 1.00 0.00 C ATOM 942 C LEU A 58 -1.769 -1.964 -11.932 1.00 0.00 C ATOM 943 O LEU A 58 -0.576 -2.050 -12.143 1.00 0.00 O ATOM 944 CB LEU A 58 -2.345 -2.683 -14.252 1.00 0.00 C ATOM 945 CG LEU A 58 -2.986 -4.065 -14.113 1.00 0.00 C ATOM 946 CD1 LEU A 58 -2.352 -5.010 -15.133 1.00 0.00 C ATOM 947 CD2 LEU A 58 -2.738 -4.616 -12.706 1.00 0.00 C ATOM 0 H LEU A 58 -3.572 0.181 -13.250 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.766 -2.063 -12.757 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.647 -2.227 -15.195 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.259 -2.778 -14.277 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.059 -3.984 -14.286 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.802 -5.999 -15.042 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.520 -4.626 -16.139 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.280 -5.081 -14.946 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.197 -5.600 -12.615 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.665 -4.699 -12.531 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.175 -3.942 -11.969 1.00 0.00 H new ATOM 959 N TRP A 59 -2.244 -2.009 -10.718 1.00 0.00 N ATOM 960 CA TRP A 59 -1.313 -2.167 -9.564 1.00 0.00 C ATOM 961 C TRP A 59 -0.659 -3.551 -9.592 1.00 0.00 C ATOM 962 O TRP A 59 -1.308 -4.560 -9.788 1.00 0.00 O ATOM 963 CB TRP A 59 -2.084 -1.995 -8.254 1.00 0.00 C ATOM 964 CG TRP A 59 -2.346 -0.545 -8.019 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.564 0.031 -8.027 1.00 0.00 C ATOM 966 CD2 TRP A 59 -1.392 0.517 -7.739 1.00 0.00 C ATOM 967 NE1 TRP A 59 -3.424 1.386 -7.776 1.00 0.00 N ATOM 968 CE2 TRP A 59 -2.101 1.732 -7.590 1.00 0.00 C ATOM 969 CE3 TRP A 59 0.006 0.544 -7.604 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -1.448 2.930 -7.316 1.00 0.00 C ATOM 971 CZ3 TRP A 59 0.668 1.749 -7.328 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.057 2.941 -7.185 1.00 0.00 C ATOM 0 H TRP A 59 -3.232 -1.944 -10.475 1.00 0.00 H new ATOM 0 HA TRP A 59 -0.535 -1.407 -9.635 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.025 -2.543 -8.299 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.512 -2.411 -7.425 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.499 -0.481 -8.201 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.201 2.045 -7.734 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.574 -0.368 -7.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.012 3.844 -7.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.743 1.759 -7.225 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.459 3.866 -6.974 1.00 0.00 H new ATOM 983 N ASP A 60 0.628 -3.594 -9.383 1.00 0.00 N ATOM 984 CA ASP A 60 1.361 -4.891 -9.375 1.00 0.00 C ATOM 985 C ASP A 60 2.446 -4.833 -8.300 1.00 0.00 C ATOM 986 O ASP A 60 2.679 -3.801 -7.701 1.00 0.00 O ATOM 987 CB ASP A 60 2.009 -5.131 -10.740 1.00 0.00 C ATOM 988 CG ASP A 60 0.922 -5.384 -11.786 1.00 0.00 C ATOM 989 OD1 ASP A 60 -0.168 -5.766 -11.394 1.00 0.00 O ATOM 990 OD2 ASP A 60 1.201 -5.201 -12.959 1.00 0.00 O ATOM 0 H ASP A 60 1.211 -2.774 -9.215 1.00 0.00 H new ATOM 0 HA ASP A 60 0.667 -5.705 -9.165 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.609 -4.267 -11.026 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.684 -5.985 -10.688 1.00 0.00 H new ATOM 995 N GLU A 61 3.110 -5.923 -8.045 1.00 0.00 N ATOM 996 CA GLU A 61 4.174 -5.908 -7.003 1.00 0.00 C ATOM 997 C GLU A 61 5.267 -4.917 -7.407 1.00 0.00 C ATOM 998 O GLU A 61 5.805 -4.202 -6.587 1.00 0.00 O ATOM 999 CB GLU A 61 4.777 -7.307 -6.874 1.00 0.00 C ATOM 1000 CG GLU A 61 3.700 -8.289 -6.410 1.00 0.00 C ATOM 1001 CD GLU A 61 4.316 -9.677 -6.231 1.00 0.00 C ATOM 1002 OE1 GLU A 61 5.473 -9.840 -6.584 1.00 0.00 O ATOM 1003 OE2 GLU A 61 3.622 -10.554 -5.743 1.00 0.00 O ATOM 0 H GLU A 61 2.964 -6.820 -8.509 1.00 0.00 H new ATOM 0 HA GLU A 61 3.745 -5.607 -6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.187 -7.627 -7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.603 -7.294 -6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.264 -7.949 -5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.892 -8.330 -7.140 1.00 0.00 H new ATOM 1010 N ASN A 62 5.596 -4.869 -8.668 1.00 0.00 N ATOM 1011 CA ASN A 62 6.653 -3.924 -9.132 1.00 0.00 C ATOM 1012 C ASN A 62 6.156 -2.483 -9.005 1.00 0.00 C ATOM 1013 O ASN A 62 6.876 -1.598 -8.587 1.00 0.00 O ATOM 1014 CB ASN A 62 6.986 -4.218 -10.594 1.00 0.00 C ATOM 1015 CG ASN A 62 7.627 -5.602 -10.703 1.00 0.00 C ATOM 1016 OD1 ASN A 62 8.105 -6.141 -9.724 1.00 0.00 O ATOM 1017 ND2 ASN A 62 7.660 -6.204 -11.860 1.00 0.00 N ATOM 0 H ASN A 62 5.178 -5.444 -9.399 1.00 0.00 H new ATOM 0 HA ASN A 62 7.544 -4.051 -8.517 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.081 -4.176 -11.200 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.665 -3.459 -10.983 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.087 -7.127 -11.943 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.259 -5.752 -12.682 1.00 0.00 H new ATOM 1024 N ASN A 63 4.929 -2.242 -9.372 1.00 0.00 N ATOM 1025 CA ASN A 63 4.377 -0.860 -9.285 1.00 0.00 C ATOM 1026 C ASN A 63 4.465 -0.358 -7.842 1.00 0.00 C ATOM 1027 O ASN A 63 4.705 0.806 -7.593 1.00 0.00 O ATOM 1028 CB ASN A 63 2.914 -0.865 -9.733 1.00 0.00 C ATOM 1029 CG ASN A 63 2.829 -1.251 -11.213 1.00 0.00 C ATOM 1030 OD1 ASN A 63 3.780 -1.081 -11.950 1.00 0.00 O ATOM 1031 ND2 ASN A 63 1.724 -1.770 -11.683 1.00 0.00 N ATOM 0 H ASN A 63 4.282 -2.944 -9.730 1.00 0.00 H new ATOM 0 HA ASN A 63 4.955 -0.201 -9.933 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.341 -1.570 -9.130 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.473 0.120 -9.578 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.662 -2.031 -12.667 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.925 -1.913 -11.065 1.00 0.00 H new ATOM 1038 N MET A 64 4.267 -1.227 -6.888 1.00 0.00 N ATOM 1039 CA MET A 64 4.335 -0.796 -5.464 1.00 0.00 C ATOM 1040 C MET A 64 5.724 -0.235 -5.154 1.00 0.00 C ATOM 1041 O MET A 64 5.862 0.735 -4.434 1.00 0.00 O ATOM 1042 CB MET A 64 4.055 -1.994 -4.555 1.00 0.00 C ATOM 1043 CG MET A 64 2.697 -1.813 -3.875 1.00 0.00 C ATOM 1044 SD MET A 64 1.387 -1.842 -5.123 1.00 0.00 S ATOM 1045 CE MET A 64 0.050 -1.249 -4.059 1.00 0.00 C ATOM 0 H MET A 64 4.061 -2.215 -7.034 1.00 0.00 H new ATOM 0 HA MET A 64 3.589 -0.021 -5.289 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.062 -2.915 -5.138 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.840 -2.086 -3.804 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.536 -2.606 -3.145 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.674 -0.869 -3.331 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.877 -1.760 -4.320 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.296 -1.454 -3.017 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.076 -0.175 -4.197 1.00 0.00 H new ATOM 1055 N SER A 65 6.755 -0.833 -5.684 1.00 0.00 N ATOM 1056 CA SER A 65 8.127 -0.323 -5.407 1.00 0.00 C ATOM 1057 C SER A 65 8.242 1.119 -5.905 1.00 0.00 C ATOM 1058 O SER A 65 8.794 1.975 -5.242 1.00 0.00 O ATOM 1059 CB SER A 65 9.152 -1.195 -6.131 1.00 0.00 C ATOM 1060 OG SER A 65 8.953 -2.554 -5.765 1.00 0.00 O ATOM 0 H SER A 65 6.707 -1.649 -6.294 1.00 0.00 H new ATOM 0 HA SER A 65 8.318 -0.355 -4.334 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.049 -1.078 -7.210 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.163 -0.880 -5.871 1.00 0.00 H new ATOM 0 HG SER A 65 9.608 -3.117 -6.229 1.00 0.00 H new ATOM 1066 N GLU A 66 7.715 1.394 -7.065 1.00 0.00 N ATOM 1067 CA GLU A 66 7.783 2.777 -7.608 1.00 0.00 C ATOM 1068 C GLU A 66 6.894 3.700 -6.771 1.00 0.00 C ATOM 1069 O GLU A 66 7.175 4.869 -6.603 1.00 0.00 O ATOM 1070 CB GLU A 66 7.291 2.772 -9.056 1.00 0.00 C ATOM 1071 CG GLU A 66 8.255 1.956 -9.919 1.00 0.00 C ATOM 1072 CD GLU A 66 7.792 1.997 -11.377 1.00 0.00 C ATOM 1073 OE1 GLU A 66 6.700 2.485 -11.618 1.00 0.00 O ATOM 1074 OE2 GLU A 66 8.539 1.542 -12.227 1.00 0.00 O ATOM 0 H GLU A 66 7.239 0.718 -7.662 1.00 0.00 H new ATOM 0 HA GLU A 66 8.812 3.135 -7.570 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.289 2.346 -9.109 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.224 3.793 -9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.265 2.358 -9.835 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.292 0.925 -9.567 1.00 0.00 H new ATOM 1081 N TYR A 67 5.815 3.180 -6.258 1.00 0.00 N ATOM 1082 CA TYR A 67 4.887 4.013 -5.441 1.00 0.00 C ATOM 1083 C TYR A 67 5.612 4.591 -4.222 1.00 0.00 C ATOM 1084 O TYR A 67 5.509 5.766 -3.931 1.00 0.00 O ATOM 1085 CB TYR A 67 3.723 3.133 -4.983 1.00 0.00 C ATOM 1086 CG TYR A 67 2.889 3.847 -3.945 1.00 0.00 C ATOM 1087 CD1 TYR A 67 2.407 5.140 -4.182 1.00 0.00 C ATOM 1088 CD2 TYR A 67 2.593 3.201 -2.740 1.00 0.00 C ATOM 1089 CE1 TYR A 67 1.630 5.784 -3.211 1.00 0.00 C ATOM 1090 CE2 TYR A 67 1.818 3.844 -1.771 1.00 0.00 C ATOM 1091 CZ TYR A 67 1.336 5.136 -2.007 1.00 0.00 C ATOM 1092 OH TYR A 67 0.567 5.772 -1.054 1.00 0.00 O ATOM 0 H TYR A 67 5.533 2.206 -6.370 1.00 0.00 H new ATOM 0 HA TYR A 67 4.519 4.844 -6.042 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.101 2.870 -5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.107 2.200 -4.570 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.634 5.640 -5.112 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.964 2.203 -2.558 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.258 6.781 -3.392 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.591 3.344 -0.841 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.166 6.252 -1.492 1.00 0.00 H new ATOM 1102 N LEU A 68 6.343 3.783 -3.506 1.00 0.00 N ATOM 1103 CA LEU A 68 7.064 4.303 -2.310 1.00 0.00 C ATOM 1104 C LEU A 68 8.244 5.173 -2.744 1.00 0.00 C ATOM 1105 O LEU A 68 8.517 6.201 -2.157 1.00 0.00 O ATOM 1106 CB LEU A 68 7.567 3.129 -1.469 1.00 0.00 C ATOM 1107 CG LEU A 68 6.485 2.729 -0.465 1.00 0.00 C ATOM 1108 CD1 LEU A 68 5.154 2.535 -1.189 1.00 0.00 C ATOM 1109 CD2 LEU A 68 6.881 1.422 0.224 1.00 0.00 C ATOM 0 H LEU A 68 6.472 2.789 -3.696 1.00 0.00 H new ATOM 0 HA LEU A 68 6.381 4.910 -1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.813 2.284 -2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.481 3.407 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 68 6.381 3.518 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.387 2.250 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.866 3.466 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.258 1.750 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.108 1.139 0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.990 0.636 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.827 1.559 0.747 1.00 0.00 H new ATOM 1121 N THR A 69 8.949 4.768 -3.761 1.00 0.00 N ATOM 1122 CA THR A 69 10.115 5.575 -4.222 1.00 0.00 C ATOM 1123 C THR A 69 9.626 6.869 -4.880 1.00 0.00 C ATOM 1124 O THR A 69 10.181 7.929 -4.669 1.00 0.00 O ATOM 1125 CB THR A 69 10.928 4.766 -5.235 1.00 0.00 C ATOM 1126 OG1 THR A 69 10.154 4.568 -6.410 1.00 0.00 O ATOM 1127 CG2 THR A 69 11.296 3.411 -4.630 1.00 0.00 C ATOM 0 H THR A 69 8.771 3.916 -4.293 1.00 0.00 H new ATOM 0 HA THR A 69 10.740 5.822 -3.364 1.00 0.00 H new ATOM 0 HB THR A 69 11.839 5.308 -5.487 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.673 4.051 -7.061 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.875 2.835 -5.352 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.889 3.564 -3.729 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.386 2.866 -4.377 1.00 0.00 H new ATOM 1135 N ASN A 70 8.594 6.794 -5.676 1.00 0.00 N ATOM 1136 CA ASN A 70 8.080 8.025 -6.344 1.00 0.00 C ATOM 1137 C ASN A 70 6.548 8.014 -6.344 1.00 0.00 C ATOM 1138 O ASN A 70 5.926 7.077 -6.804 1.00 0.00 O ATOM 1139 CB ASN A 70 8.586 8.070 -7.789 1.00 0.00 C ATOM 1140 CG ASN A 70 10.110 8.193 -7.794 1.00 0.00 C ATOM 1141 OD1 ASN A 70 10.703 8.595 -6.814 1.00 0.00 O ATOM 1142 ND2 ASN A 70 10.775 7.858 -8.867 1.00 0.00 N ATOM 0 H ASN A 70 8.086 5.937 -5.893 1.00 0.00 H new ATOM 0 HA ASN A 70 8.435 8.902 -5.803 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.282 7.168 -8.320 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.141 8.915 -8.315 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.792 7.934 -8.881 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.277 7.520 -9.691 1.00 0.00 H new ATOM 1149 N HIS A 71 5.936 9.050 -5.838 1.00 0.00 N ATOM 1150 CA HIS A 71 4.449 9.098 -5.818 1.00 0.00 C ATOM 1151 C HIS A 71 3.985 10.550 -5.951 1.00 0.00 C ATOM 1152 O HIS A 71 4.420 11.418 -5.222 1.00 0.00 O ATOM 1153 CB HIS A 71 3.940 8.517 -4.499 1.00 0.00 C ATOM 1154 CG HIS A 71 4.846 8.946 -3.378 1.00 0.00 C ATOM 1155 ND1 HIS A 71 6.188 8.760 -3.161 1.00 0.00 N flip ATOM 1156 CD2 HIS A 71 4.382 9.670 -2.287 1.00 0.00 C flip ATOM 1157 CE1 HIS A 71 6.551 9.356 -1.960 1.00 0.00 C flip ATOM 1158 NE2 HIS A 71 5.430 9.890 -1.472 1.00 0.00 N flip ATOM 0 H HIS A 71 6.403 9.864 -5.438 1.00 0.00 H new ATOM 0 HA HIS A 71 4.053 8.514 -6.649 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.922 8.857 -4.308 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.907 7.429 -4.558 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.366 9.997 -2.123 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.535 9.382 -1.515 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.374 10.401 -0.591 1.00 0.00 H new ATOM 1167 N ALA A 72 3.101 10.821 -6.875 1.00 0.00 N ATOM 1168 CA ALA A 72 2.607 12.216 -7.053 1.00 0.00 C ATOM 1169 C ALA A 72 1.837 12.322 -8.373 1.00 0.00 C ATOM 1170 O ALA A 72 0.712 11.887 -8.476 1.00 0.00 O ATOM 1171 CB ALA A 72 3.791 13.186 -7.069 1.00 0.00 C ATOM 0 H ALA A 72 2.700 10.135 -7.514 1.00 0.00 H new ATOM 0 HA ALA A 72 1.945 12.472 -6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.425 14.204 -7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.334 13.113 -6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.458 12.932 -7.893 1.00 0.00 H new ATOM 1177 N LYS A 73 2.431 12.895 -9.385 1.00 0.00 N ATOM 1178 CA LYS A 73 1.719 13.023 -10.691 1.00 0.00 C ATOM 1179 C LYS A 73 1.312 11.635 -11.193 1.00 0.00 C ATOM 1180 O LYS A 73 0.296 11.468 -11.837 1.00 0.00 O ATOM 1181 CB LYS A 73 2.646 13.684 -11.714 1.00 0.00 C ATOM 1182 CG LYS A 73 2.963 15.112 -11.269 1.00 0.00 C ATOM 1183 CD LYS A 73 3.797 15.810 -12.346 1.00 0.00 C ATOM 1184 CE LYS A 73 4.222 17.192 -11.849 1.00 0.00 C ATOM 1185 NZ LYS A 73 5.519 17.083 -11.125 1.00 0.00 N ATOM 0 H LYS A 73 3.376 13.279 -9.365 1.00 0.00 H new ATOM 0 HA LYS A 73 0.827 13.635 -10.558 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.567 13.109 -11.810 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.173 13.695 -12.696 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.039 15.664 -11.095 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.508 15.097 -10.325 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.676 15.212 -12.584 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.218 15.905 -13.264 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.320 17.878 -12.690 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.458 17.603 -11.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.808 18.023 -10.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.411 16.442 -10.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.245 16.708 -11.768 1.00 0.00 H new ATOM 1199 N TYR A 74 2.103 10.640 -10.904 1.00 0.00 N ATOM 1200 CA TYR A 74 1.778 9.259 -11.362 1.00 0.00 C ATOM 1201 C TYR A 74 0.385 8.846 -10.868 1.00 0.00 C ATOM 1202 O TYR A 74 -0.391 8.266 -11.600 1.00 0.00 O ATOM 1203 CB TYR A 74 2.831 8.301 -10.802 1.00 0.00 C ATOM 1204 CG TYR A 74 2.255 6.913 -10.693 1.00 0.00 C ATOM 1205 CD1 TYR A 74 1.522 6.367 -11.751 1.00 0.00 C ATOM 1206 CD2 TYR A 74 2.457 6.172 -9.525 1.00 0.00 C ATOM 1207 CE1 TYR A 74 0.992 5.076 -11.640 1.00 0.00 C ATOM 1208 CE2 TYR A 74 1.929 4.883 -9.412 1.00 0.00 C ATOM 1209 CZ TYR A 74 1.196 4.333 -10.470 1.00 0.00 C ATOM 1210 OH TYR A 74 0.672 3.061 -10.359 1.00 0.00 O ATOM 0 H TYR A 74 2.966 10.724 -10.367 1.00 0.00 H new ATOM 0 HA TYR A 74 1.780 9.225 -12.451 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.707 8.291 -11.450 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.163 8.644 -9.822 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.365 6.940 -12.653 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.022 6.596 -8.708 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.426 4.653 -12.456 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.086 4.312 -8.509 1.00 0.00 H new ATOM 0 HH TYR A 74 0.527 2.848 -9.413 1.00 0.00 H new ATOM 1220 N ILE A 75 0.069 9.138 -9.637 1.00 0.00 N ATOM 1221 CA ILE A 75 -1.273 8.760 -9.090 1.00 0.00 C ATOM 1222 C ILE A 75 -1.991 10.016 -8.594 1.00 0.00 C ATOM 1223 O ILE A 75 -1.379 11.038 -8.376 1.00 0.00 O ATOM 1224 CB ILE A 75 -1.072 7.794 -7.922 1.00 0.00 C ATOM 1225 CG1 ILE A 75 0.325 8.000 -7.341 1.00 0.00 C ATOM 1226 CG2 ILE A 75 -1.212 6.350 -8.417 1.00 0.00 C ATOM 1227 CD1 ILE A 75 0.463 7.189 -6.057 1.00 0.00 C ATOM 0 H ILE A 75 0.681 9.623 -8.981 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.873 8.285 -9.867 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.823 7.984 -7.155 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.081 7.690 -8.063 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.494 9.057 -7.137 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.068 5.664 -7.582 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.206 6.205 -8.839 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.461 6.153 -9.182 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.460 7.334 -5.640 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.284 7.520 -5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.312 6.132 -6.276 1.00 0.00 H new ATOM 1239 N PRO A 76 -3.283 9.947 -8.405 1.00 0.00 N ATOM 1240 CA PRO A 76 -4.081 11.096 -7.919 1.00 0.00 C ATOM 1241 C PRO A 76 -3.304 11.949 -6.911 1.00 0.00 C ATOM 1242 O PRO A 76 -2.425 11.470 -6.225 1.00 0.00 O ATOM 1243 CB PRO A 76 -5.289 10.440 -7.238 1.00 0.00 C ATOM 1244 CG PRO A 76 -5.279 8.986 -7.630 1.00 0.00 C ATOM 1245 CD PRO A 76 -4.140 8.783 -8.633 1.00 0.00 C ATOM 0 HA PRO A 76 -4.352 11.773 -8.729 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.227 10.548 -6.155 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.216 10.918 -7.553 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.134 8.354 -6.754 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.234 8.703 -8.073 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.607 7.849 -8.454 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.508 8.748 -9.658 1.00 0.00 H new ATOM 1253 N GLY A 77 -3.627 13.211 -6.815 1.00 0.00 N ATOM 1254 CA GLY A 77 -2.911 14.091 -5.849 1.00 0.00 C ATOM 1255 C GLY A 77 -3.155 13.585 -4.427 1.00 0.00 C ATOM 1256 O GLY A 77 -2.765 14.209 -3.459 1.00 0.00 O ATOM 0 H GLY A 77 -4.355 13.669 -7.363 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.843 14.096 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.261 15.118 -5.947 1.00 0.00 H new ATOM 1260 N THR A 78 -3.803 12.460 -4.295 1.00 0.00 N ATOM 1261 CA THR A 78 -4.081 11.907 -2.940 1.00 0.00 C ATOM 1262 C THR A 78 -2.855 12.083 -2.044 1.00 0.00 C ATOM 1263 O THR A 78 -1.772 11.632 -2.358 1.00 0.00 O ATOM 1264 CB THR A 78 -4.402 10.416 -3.061 1.00 0.00 C ATOM 1265 OG1 THR A 78 -4.979 9.958 -1.847 1.00 0.00 O ATOM 1266 CG2 THR A 78 -3.112 9.639 -3.342 1.00 0.00 C ATOM 0 H THR A 78 -4.153 11.898 -5.071 1.00 0.00 H new ATOM 0 HA THR A 78 -4.927 12.437 -2.503 1.00 0.00 H new ATOM 0 HB THR A 78 -5.105 10.258 -3.879 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.759 9.399 -2.046 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.339 8.576 -3.429 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.670 9.993 -4.273 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.408 9.794 -2.524 1.00 0.00 H new ATOM 1274 N LYS A 79 -3.021 12.725 -0.919 1.00 0.00 N ATOM 1275 CA LYS A 79 -1.871 12.916 0.005 1.00 0.00 C ATOM 1276 C LYS A 79 -1.917 11.829 1.080 1.00 0.00 C ATOM 1277 O LYS A 79 -2.918 11.648 1.744 1.00 0.00 O ATOM 1278 CB LYS A 79 -1.968 14.294 0.664 1.00 0.00 C ATOM 1279 CG LYS A 79 -0.684 14.578 1.446 1.00 0.00 C ATOM 1280 CD LYS A 79 -0.809 15.927 2.157 1.00 0.00 C ATOM 1281 CE LYS A 79 0.530 16.292 2.800 1.00 0.00 C ATOM 1282 NZ LYS A 79 0.859 15.299 3.861 1.00 0.00 N ATOM 0 H LYS A 79 -3.904 13.125 -0.602 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.934 12.850 -0.549 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.122 15.062 -0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.829 14.329 1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.506 13.786 2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.171 14.589 0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.105 16.698 1.446 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.588 15.878 2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.316 16.307 2.045 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.479 17.293 3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.631 15.666 4.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.020 15.131 4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.156 14.405 3.420 1.00 0.00 H new ATOM 1296 N MET A 80 -0.846 11.102 1.255 1.00 0.00 N ATOM 1297 CA MET A 80 -0.838 10.024 2.286 1.00 0.00 C ATOM 1298 C MET A 80 0.007 10.472 3.481 1.00 0.00 C ATOM 1299 O MET A 80 1.121 10.935 3.330 1.00 0.00 O ATOM 1300 CB MET A 80 -0.253 8.744 1.671 1.00 0.00 C ATOM 1301 CG MET A 80 -0.582 7.530 2.548 1.00 0.00 C ATOM 1302 SD MET A 80 -0.744 6.058 1.503 1.00 0.00 S ATOM 1303 CE MET A 80 1.012 5.633 1.454 1.00 0.00 C ATOM 0 H MET A 80 0.022 11.208 0.730 1.00 0.00 H new ATOM 0 HA MET A 80 -1.854 9.825 2.627 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.657 8.597 0.669 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.827 8.844 1.568 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.203 7.379 3.289 1.00 0.00 H new ATOM 0 HG3 MET A 80 -1.508 7.704 3.096 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.151 4.726 0.866 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.572 6.450 0.999 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.374 5.466 2.468 1.00 0.00 H new ATOM 1313 N ALA A 81 -0.524 10.351 4.668 1.00 0.00 N ATOM 1314 CA ALA A 81 0.233 10.782 5.880 1.00 0.00 C ATOM 1315 C ALA A 81 1.493 9.929 6.052 1.00 0.00 C ATOM 1316 O ALA A 81 2.459 10.355 6.653 1.00 0.00 O ATOM 1317 CB ALA A 81 -0.657 10.625 7.115 1.00 0.00 C ATOM 0 H ALA A 81 -1.453 9.971 4.852 1.00 0.00 H new ATOM 0 HA ALA A 81 0.526 11.825 5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.107 10.939 8.002 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.548 11.243 7.003 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.951 9.581 7.221 1.00 0.00 H new ATOM 1323 N PHE A 82 1.492 8.728 5.545 1.00 0.00 N ATOM 1324 CA PHE A 82 2.694 7.860 5.701 1.00 0.00 C ATOM 1325 C PHE A 82 3.930 8.615 5.209 1.00 0.00 C ATOM 1326 O PHE A 82 4.980 8.570 5.818 1.00 0.00 O ATOM 1327 CB PHE A 82 2.519 6.588 4.873 1.00 0.00 C ATOM 1328 CG PHE A 82 3.596 5.591 5.238 1.00 0.00 C ATOM 1329 CD1 PHE A 82 3.410 4.736 6.330 1.00 0.00 C ATOM 1330 CD2 PHE A 82 4.777 5.519 4.484 1.00 0.00 C ATOM 1331 CE1 PHE A 82 4.402 3.810 6.672 1.00 0.00 C ATOM 1332 CE2 PHE A 82 5.768 4.590 4.827 1.00 0.00 C ATOM 1333 CZ PHE A 82 5.580 3.736 5.920 1.00 0.00 C ATOM 0 H PHE A 82 0.716 8.311 5.032 1.00 0.00 H new ATOM 0 HA PHE A 82 2.816 7.596 6.751 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.534 6.157 5.054 1.00 0.00 H new ATOM 0 HB3 PHE A 82 2.573 6.824 3.810 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.500 4.791 6.909 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.922 6.178 3.641 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.258 3.152 7.517 1.00 0.00 H new ATOM 0 HE2 PHE A 82 6.678 4.533 4.248 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.344 3.020 6.183 1.00 0.00 H new ATOM 1343 N GLY A 83 3.815 9.308 4.108 1.00 0.00 N ATOM 1344 CA GLY A 83 4.987 10.061 3.581 1.00 0.00 C ATOM 1345 C GLY A 83 6.110 9.079 3.255 1.00 0.00 C ATOM 1346 O GLY A 83 5.959 8.203 2.425 1.00 0.00 O ATOM 0 H GLY A 83 2.963 9.385 3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.704 10.618 2.688 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.327 10.790 4.317 1.00 0.00 H new ATOM 1350 N GLY A 84 7.233 9.213 3.907 1.00 0.00 N ATOM 1351 CA GLY A 84 8.371 8.284 3.646 1.00 0.00 C ATOM 1352 C GLY A 84 8.775 7.606 4.955 1.00 0.00 C ATOM 1353 O GLY A 84 8.565 8.137 6.028 1.00 0.00 O ATOM 0 H GLY A 84 7.412 9.928 4.612 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.083 7.535 2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.216 8.833 3.230 1.00 0.00 H new ATOM 1357 N LEU A 85 9.348 6.436 4.877 1.00 0.00 N ATOM 1358 CA LEU A 85 9.760 5.723 6.120 1.00 0.00 C ATOM 1359 C LEU A 85 11.277 5.821 6.292 1.00 0.00 C ATOM 1360 O LEU A 85 12.037 5.500 5.399 1.00 0.00 O ATOM 1361 CB LEU A 85 9.341 4.255 6.017 1.00 0.00 C ATOM 1362 CG LEU A 85 9.705 3.521 7.309 1.00 0.00 C ATOM 1363 CD1 LEU A 85 8.986 4.170 8.492 1.00 0.00 C ATOM 1364 CD2 LEU A 85 9.273 2.057 7.199 1.00 0.00 C ATOM 0 H LEU A 85 9.549 5.943 4.007 1.00 0.00 H new ATOM 0 HA LEU A 85 9.277 6.180 6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.268 4.185 5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.837 3.784 5.168 1.00 0.00 H new ATOM 0 HG LEU A 85 10.782 3.578 7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.248 3.644 9.410 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.288 5.214 8.573 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.908 4.115 8.337 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.531 1.531 8.118 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.195 2.006 7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.784 1.589 6.358 1.00 0.00 H new ATOM 1376 N LYS A 86 11.723 6.270 7.435 1.00 0.00 N ATOM 1377 CA LYS A 86 13.189 6.396 7.670 1.00 0.00 C ATOM 1378 C LYS A 86 13.858 5.027 7.535 1.00 0.00 C ATOM 1379 O LYS A 86 14.965 4.912 7.045 1.00 0.00 O ATOM 1380 CB LYS A 86 13.437 6.946 9.075 1.00 0.00 C ATOM 1381 CG LYS A 86 12.893 8.372 9.169 1.00 0.00 C ATOM 1382 CD LYS A 86 13.250 8.967 10.532 1.00 0.00 C ATOM 1383 CE LYS A 86 12.615 10.353 10.669 1.00 0.00 C ATOM 1384 NZ LYS A 86 13.303 11.109 11.753 1.00 0.00 N ATOM 0 H LYS A 86 11.133 6.555 8.217 1.00 0.00 H new ATOM 0 HA LYS A 86 13.611 7.077 6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.952 6.311 9.816 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.504 6.937 9.297 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.312 8.986 8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.811 8.369 9.034 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.896 8.313 11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.333 9.040 10.636 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.693 10.895 9.727 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.553 10.258 10.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.872 12.051 11.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.207 10.593 12.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.311 11.211 11.519 1.00 0.00 H new ATOM 1398 N LYS A 87 13.202 3.985 7.967 1.00 0.00 N ATOM 1399 CA LYS A 87 13.813 2.630 7.861 1.00 0.00 C ATOM 1400 C LYS A 87 13.387 1.981 6.544 1.00 0.00 C ATOM 1401 O LYS A 87 12.289 1.480 6.412 1.00 0.00 O ATOM 1402 CB LYS A 87 13.344 1.766 9.033 1.00 0.00 C ATOM 1403 CG LYS A 87 13.862 2.362 10.344 1.00 0.00 C ATOM 1404 CD LYS A 87 13.499 1.435 11.507 1.00 0.00 C ATOM 1405 CE LYS A 87 13.917 2.085 12.827 1.00 0.00 C ATOM 1406 NZ LYS A 87 13.408 1.269 13.965 1.00 0.00 N ATOM 0 H LYS A 87 12.273 4.013 8.387 1.00 0.00 H new ATOM 0 HA LYS A 87 14.899 2.717 7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.255 1.716 9.049 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.709 0.746 8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.943 2.493 10.294 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.428 3.349 10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.427 1.240 11.509 1.00 0.00 H new ATOM 0 HD3 LYS A 87 13.998 0.473 11.389 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.003 2.163 12.879 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.521 3.099 12.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.692 1.710 14.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.370 1.216 13.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.806 0.310 13.910 1.00 0.00 H new ATOM 1420 N GLU A 88 14.251 1.987 5.568 1.00 0.00 N ATOM 1421 CA GLU A 88 13.902 1.372 4.258 1.00 0.00 C ATOM 1422 C GLU A 88 13.735 -0.141 4.422 1.00 0.00 C ATOM 1423 O GLU A 88 12.891 -0.751 3.796 1.00 0.00 O ATOM 1424 CB GLU A 88 15.017 1.656 3.250 1.00 0.00 C ATOM 1425 CG GLU A 88 15.098 3.161 2.988 1.00 0.00 C ATOM 1426 CD GLU A 88 16.168 3.440 1.931 1.00 0.00 C ATOM 1427 OE1 GLU A 88 16.888 2.518 1.588 1.00 0.00 O ATOM 1428 OE2 GLU A 88 16.248 4.572 1.482 1.00 0.00 O ATOM 0 H GLU A 88 15.186 2.392 5.621 1.00 0.00 H new ATOM 0 HA GLU A 88 12.966 1.799 3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.970 1.291 3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.824 1.124 2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.132 3.534 2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.338 3.689 3.911 1.00 0.00 H new ATOM 1435 N LYS A 89 14.534 -0.754 5.253 1.00 0.00 N ATOM 1436 CA LYS A 89 14.414 -2.228 5.442 1.00 0.00 C ATOM 1437 C LYS A 89 13.018 -2.564 5.967 1.00 0.00 C ATOM 1438 O LYS A 89 12.346 -3.441 5.461 1.00 0.00 O ATOM 1439 CB LYS A 89 15.465 -2.701 6.448 1.00 0.00 C ATOM 1440 CG LYS A 89 15.447 -4.229 6.527 1.00 0.00 C ATOM 1441 CD LYS A 89 16.452 -4.700 7.579 1.00 0.00 C ATOM 1442 CE LYS A 89 16.547 -6.227 7.548 1.00 0.00 C ATOM 1443 NZ LYS A 89 16.211 -6.773 8.893 1.00 0.00 N ATOM 0 H LYS A 89 15.261 -0.301 5.807 1.00 0.00 H new ATOM 0 HA LYS A 89 14.573 -2.730 4.488 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.453 -2.354 6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.262 -2.273 7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.447 -4.578 6.783 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.695 -4.656 5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.430 -4.260 7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.142 -4.364 8.569 1.00 0.00 H new ATOM 0 HE2 LYS A 89 15.864 -6.629 6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.553 -6.534 7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 16.275 -7.811 8.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 16.879 -6.399 9.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 15.243 -6.491 9.150 1.00 0.00 H new ATOM 1457 N ASP A 90 12.572 -1.866 6.974 1.00 0.00 N ATOM 1458 CA ASP A 90 11.219 -2.139 7.523 1.00 0.00 C ATOM 1459 C ASP A 90 10.172 -1.826 6.454 1.00 0.00 C ATOM 1460 O ASP A 90 9.178 -2.512 6.321 1.00 0.00 O ATOM 1461 CB ASP A 90 10.983 -1.259 8.751 1.00 0.00 C ATOM 1462 CG ASP A 90 11.956 -1.662 9.862 1.00 0.00 C ATOM 1463 OD1 ASP A 90 12.554 -2.719 9.744 1.00 0.00 O ATOM 1464 OD2 ASP A 90 12.088 -0.906 10.809 1.00 0.00 O ATOM 0 H ASP A 90 13.088 -1.119 7.439 1.00 0.00 H new ATOM 0 HA ASP A 90 11.141 -3.187 7.812 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.124 -0.210 8.492 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.955 -1.367 9.097 1.00 0.00 H new ATOM 1469 N ARG A 91 10.392 -0.793 5.687 1.00 0.00 N ATOM 1470 CA ARG A 91 9.416 -0.433 4.622 1.00 0.00 C ATOM 1471 C ARG A 91 9.235 -1.618 3.676 1.00 0.00 C ATOM 1472 O ARG A 91 8.140 -1.924 3.248 1.00 0.00 O ATOM 1473 CB ARG A 91 9.944 0.769 3.834 1.00 0.00 C ATOM 1474 CG ARG A 91 8.891 1.223 2.823 1.00 0.00 C ATOM 1475 CD ARG A 91 9.408 2.445 2.062 1.00 0.00 C ATOM 1476 NE ARG A 91 10.531 2.036 1.172 1.00 0.00 N ATOM 1477 CZ ARG A 91 11.425 2.913 0.804 1.00 0.00 C ATOM 1478 NH1 ARG A 91 11.339 4.147 1.219 1.00 0.00 N ATOM 1479 NH2 ARG A 91 12.407 2.556 0.021 1.00 0.00 N ATOM 0 H ARG A 91 11.207 -0.183 5.753 1.00 0.00 H new ATOM 0 HA ARG A 91 8.458 -0.180 5.077 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.185 1.585 4.515 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.866 0.502 3.318 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.668 0.415 2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.961 1.467 3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.605 2.887 1.472 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.745 3.208 2.764 1.00 0.00 H new ATOM 0 HE ARG A 91 10.601 1.071 0.850 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.573 4.427 1.831 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.038 4.832 0.931 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.476 1.591 -0.303 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.105 3.242 -0.266 1.00 0.00 H new ATOM 1493 N ASN A 92 10.303 -2.290 3.346 1.00 0.00 N ATOM 1494 CA ASN A 92 10.196 -3.455 2.429 1.00 0.00 C ATOM 1495 C ASN A 92 9.263 -4.499 3.043 1.00 0.00 C ATOM 1496 O ASN A 92 8.472 -5.119 2.361 1.00 0.00 O ATOM 1497 CB ASN A 92 11.582 -4.066 2.228 1.00 0.00 C ATOM 1498 CG ASN A 92 12.515 -3.023 1.609 1.00 0.00 C ATOM 1499 OD1 ASN A 92 13.636 -2.859 2.048 1.00 0.00 O ATOM 1500 ND2 ASN A 92 12.096 -2.305 0.603 1.00 0.00 N ATOM 0 H ASN A 92 11.246 -2.081 3.673 1.00 0.00 H new ATOM 0 HA ASN A 92 9.796 -3.131 1.468 1.00 0.00 H new ATOM 0 HB2 ASN A 92 11.983 -4.407 3.183 1.00 0.00 H new ATOM 0 HB3 ASN A 92 11.515 -4.940 1.580 1.00 0.00 H new ATOM 0 HD21 ASN A 92 12.710 -1.606 0.185 1.00 0.00 H new ATOM 0 HD22 ASN A 92 11.155 -2.443 0.235 1.00 0.00 H new ATOM 1507 N ASP A 93 9.347 -4.694 4.329 1.00 0.00 N ATOM 1508 CA ASP A 93 8.464 -5.692 4.989 1.00 0.00 C ATOM 1509 C ASP A 93 7.003 -5.296 4.774 1.00 0.00 C ATOM 1510 O ASP A 93 6.147 -6.133 4.566 1.00 0.00 O ATOM 1511 CB ASP A 93 8.774 -5.729 6.485 1.00 0.00 C ATOM 1512 CG ASP A 93 10.180 -6.291 6.701 1.00 0.00 C ATOM 1513 OD1 ASP A 93 10.739 -6.814 5.752 1.00 0.00 O ATOM 1514 OD2 ASP A 93 10.673 -6.187 7.812 1.00 0.00 O ATOM 0 H ASP A 93 9.990 -4.204 4.951 1.00 0.00 H new ATOM 0 HA ASP A 93 8.637 -6.679 4.559 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.703 -4.726 6.907 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.041 -6.346 7.004 1.00 0.00 H new ATOM 1519 N LEU A 94 6.712 -4.026 4.824 1.00 0.00 N ATOM 1520 CA LEU A 94 5.310 -3.574 4.623 1.00 0.00 C ATOM 1521 C LEU A 94 4.819 -4.010 3.243 1.00 0.00 C ATOM 1522 O LEU A 94 3.713 -4.488 3.088 1.00 0.00 O ATOM 1523 CB LEU A 94 5.260 -2.049 4.713 1.00 0.00 C ATOM 1524 CG LEU A 94 5.717 -1.593 6.100 1.00 0.00 C ATOM 1525 CD1 LEU A 94 5.631 -0.069 6.186 1.00 0.00 C ATOM 1526 CD2 LEU A 94 4.812 -2.211 7.168 1.00 0.00 C ATOM 0 H LEU A 94 7.387 -3.281 4.996 1.00 0.00 H new ATOM 0 HA LEU A 94 4.673 -4.016 5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.900 -1.610 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.246 -1.698 4.521 1.00 0.00 H new ATOM 0 HG LEU A 94 6.746 -1.914 6.266 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.956 0.259 7.173 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.274 0.375 5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.601 0.247 6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.139 -1.885 8.155 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.783 -1.891 7.003 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.868 -3.298 7.108 1.00 0.00 H new ATOM 1538 N ILE A 95 5.632 -3.847 2.237 1.00 0.00 N ATOM 1539 CA ILE A 95 5.215 -4.248 0.872 1.00 0.00 C ATOM 1540 C ILE A 95 4.896 -5.742 0.858 1.00 0.00 C ATOM 1541 O ILE A 95 3.892 -6.168 0.322 1.00 0.00 O ATOM 1542 CB ILE A 95 6.355 -3.953 -0.099 1.00 0.00 C ATOM 1543 CG1 ILE A 95 6.668 -2.455 -0.074 1.00 0.00 C ATOM 1544 CG2 ILE A 95 5.938 -4.362 -1.507 1.00 0.00 C ATOM 1545 CD1 ILE A 95 7.885 -2.171 -0.959 1.00 0.00 C ATOM 0 H ILE A 95 6.570 -3.452 2.305 1.00 0.00 H new ATOM 0 HA ILE A 95 4.327 -3.691 0.574 1.00 0.00 H new ATOM 0 HB ILE A 95 7.241 -4.515 0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.808 -1.887 -0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.865 -2.131 0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.751 -4.152 -2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.712 -5.428 -1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.053 -3.798 -1.803 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.107 -1.104 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 95 8.745 -2.727 -0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.671 -2.479 -1.982 1.00 0.00 H new ATOM 1557 N THR A 96 5.742 -6.540 1.446 1.00 0.00 N ATOM 1558 CA THR A 96 5.487 -8.007 1.471 1.00 0.00 C ATOM 1559 C THR A 96 4.155 -8.278 2.176 1.00 0.00 C ATOM 1560 O THR A 96 3.371 -9.103 1.749 1.00 0.00 O ATOM 1561 CB THR A 96 6.617 -8.707 2.229 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.868 -8.313 1.681 1.00 0.00 O ATOM 1563 CG2 THR A 96 6.460 -10.223 2.100 1.00 0.00 C ATOM 0 H THR A 96 6.599 -6.240 1.910 1.00 0.00 H new ATOM 0 HA THR A 96 5.444 -8.388 0.451 1.00 0.00 H new ATOM 0 HB THR A 96 6.575 -8.427 3.282 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.269 -7.620 2.246 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.266 -10.720 2.641 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.501 -10.526 2.519 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.501 -10.505 1.048 1.00 0.00 H new ATOM 1571 N TYR A 97 3.893 -7.591 3.255 1.00 0.00 N ATOM 1572 CA TYR A 97 2.612 -7.810 3.985 1.00 0.00 C ATOM 1573 C TYR A 97 1.430 -7.467 3.074 1.00 0.00 C ATOM 1574 O TYR A 97 0.434 -8.163 3.050 1.00 0.00 O ATOM 1575 CB TYR A 97 2.571 -6.927 5.234 1.00 0.00 C ATOM 1576 CG TYR A 97 1.273 -7.164 5.966 1.00 0.00 C ATOM 1577 CD1 TYR A 97 1.142 -8.261 6.825 1.00 0.00 C ATOM 1578 CD2 TYR A 97 0.196 -6.289 5.780 1.00 0.00 C ATOM 1579 CE1 TYR A 97 -0.065 -8.482 7.499 1.00 0.00 C ATOM 1580 CE2 TYR A 97 -1.010 -6.509 6.453 1.00 0.00 C ATOM 1581 CZ TYR A 97 -1.141 -7.606 7.314 1.00 0.00 C ATOM 1582 OH TYR A 97 -2.331 -7.824 7.978 1.00 0.00 O ATOM 0 H TYR A 97 4.510 -6.888 3.662 1.00 0.00 H new ATOM 0 HA TYR A 97 2.545 -8.857 4.281 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.416 -7.156 5.884 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.659 -5.877 4.955 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.972 -8.937 6.968 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.297 -5.443 5.116 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.166 -9.329 8.162 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -1.840 -5.833 6.309 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.973 -7.123 7.738 1.00 0.00 H new ATOM 1592 N LEU A 98 1.529 -6.403 2.323 1.00 0.00 N ATOM 1593 CA LEU A 98 0.404 -6.031 1.420 1.00 0.00 C ATOM 1594 C LEU A 98 0.125 -7.180 0.459 1.00 0.00 C ATOM 1595 O LEU A 98 -1.012 -7.469 0.138 1.00 0.00 O ATOM 1596 CB LEU A 98 0.765 -4.772 0.632 1.00 0.00 C ATOM 1597 CG LEU A 98 0.110 -3.555 1.289 1.00 0.00 C ATOM 1598 CD1 LEU A 98 0.359 -3.578 2.799 1.00 0.00 C ATOM 1599 CD2 LEU A 98 0.706 -2.279 0.694 1.00 0.00 C ATOM 0 H LEU A 98 2.336 -5.779 2.296 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.487 -5.832 2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.847 -4.645 0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.428 -4.867 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.964 -3.582 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.111 -2.708 3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.066 -4.487 3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.432 -3.555 2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.242 -1.409 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.780 -2.259 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.521 -2.258 -0.380 1.00 0.00 H new ATOM 1611 N LYS A 99 1.143 -7.855 0.010 1.00 0.00 N ATOM 1612 CA LYS A 99 0.905 -8.996 -0.909 1.00 0.00 C ATOM 1613 C LYS A 99 -0.031 -9.974 -0.203 1.00 0.00 C ATOM 1614 O LYS A 99 -0.951 -10.508 -0.788 1.00 0.00 O ATOM 1615 CB LYS A 99 2.233 -9.690 -1.223 1.00 0.00 C ATOM 1616 CG LYS A 99 2.028 -10.705 -2.349 1.00 0.00 C ATOM 1617 CD LYS A 99 3.230 -11.649 -2.411 1.00 0.00 C ATOM 1618 CE LYS A 99 4.475 -10.868 -2.835 1.00 0.00 C ATOM 1619 NZ LYS A 99 5.468 -11.804 -3.434 1.00 0.00 N ATOM 0 H LYS A 99 2.120 -7.668 0.237 1.00 0.00 H new ATOM 0 HA LYS A 99 0.463 -8.649 -1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.980 -8.952 -1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.612 -10.191 -0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.114 -11.274 -2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.909 -10.188 -3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.393 -12.111 -1.437 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.036 -12.455 -3.118 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.205 -10.096 -3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.910 -10.361 -1.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.315 -11.274 -3.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.733 -12.525 -2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.050 -12.268 -4.266 1.00 0.00 H new ATOM 1633 N LYS A 100 0.197 -10.194 1.063 1.00 0.00 N ATOM 1634 CA LYS A 100 -0.678 -11.119 1.834 1.00 0.00 C ATOM 1635 C LYS A 100 -2.090 -10.536 1.927 1.00 0.00 C ATOM 1636 O LYS A 100 -3.069 -11.255 1.925 1.00 0.00 O ATOM 1637 CB LYS A 100 -0.109 -11.306 3.243 1.00 0.00 C ATOM 1638 CG LYS A 100 -0.933 -12.356 3.990 1.00 0.00 C ATOM 1639 CD LYS A 100 -0.311 -12.613 5.364 1.00 0.00 C ATOM 1640 CE LYS A 100 -0.459 -11.365 6.237 1.00 0.00 C ATOM 1641 NZ LYS A 100 -0.361 -11.750 7.674 1.00 0.00 N ATOM 0 H LYS A 100 0.955 -9.770 1.598 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.718 -12.083 1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.934 -11.619 3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.130 -10.360 3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.961 -12.013 4.103 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.967 -13.282 3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.798 -13.463 5.842 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.743 -12.870 5.255 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.317 -10.641 5.990 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.418 -10.884 6.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.056 -11.209 8.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.554 -12.767 7.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.596 -11.543 8.024 1.00 0.00 H new ATOM 1655 N ALA A 101 -2.208 -9.235 2.024 1.00 0.00 N ATOM 1656 CA ALA A 101 -3.560 -8.620 2.133 1.00 0.00 C ATOM 1657 C ALA A 101 -4.370 -8.920 0.870 1.00 0.00 C ATOM 1658 O ALA A 101 -5.574 -9.070 0.918 1.00 0.00 O ATOM 1659 CB ALA A 101 -3.424 -7.105 2.308 1.00 0.00 C ATOM 0 H ALA A 101 -1.428 -8.577 2.032 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.075 -9.039 2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.415 -6.658 2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.856 -6.893 3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.904 -6.685 1.447 1.00 0.00 H new ATOM 1665 N THR A 102 -3.724 -9.009 -0.260 1.00 0.00 N ATOM 1666 CA THR A 102 -4.472 -9.297 -1.514 1.00 0.00 C ATOM 1667 C THR A 102 -5.022 -10.725 -1.464 1.00 0.00 C ATOM 1668 O THR A 102 -6.067 -11.017 -2.011 1.00 0.00 O ATOM 1669 CB THR A 102 -3.545 -9.132 -2.723 1.00 0.00 C ATOM 1670 OG1 THR A 102 -4.281 -8.574 -3.801 1.00 0.00 O ATOM 1671 CG2 THR A 102 -2.978 -10.490 -3.146 1.00 0.00 C ATOM 0 H THR A 102 -2.716 -8.895 -0.368 1.00 0.00 H new ATOM 0 HA THR A 102 -5.302 -8.597 -1.610 1.00 0.00 H new ATOM 0 HB THR A 102 -2.720 -8.473 -2.453 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.133 -9.108 -4.609 1.00 0.00 H new ATOM 0 HG21 THR A 102 -2.321 -10.358 -4.006 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.412 -10.921 -2.320 1.00 0.00 H new ATOM 0 HG23 THR A 102 -3.796 -11.159 -3.414 1.00 0.00 H new ATOM 1679 N GLU A 103 -4.328 -11.618 -0.812 1.00 0.00 N ATOM 1680 CA GLU A 103 -4.812 -13.024 -0.731 1.00 0.00 C ATOM 1681 C GLU A 103 -5.796 -13.157 0.433 1.00 0.00 C ATOM 1682 O GLU A 103 -6.453 -12.209 0.815 1.00 0.00 O ATOM 1683 CB GLU A 103 -3.624 -13.960 -0.504 1.00 0.00 C ATOM 1684 CG GLU A 103 -4.100 -15.412 -0.563 1.00 0.00 C ATOM 1685 CD GLU A 103 -2.933 -16.347 -0.240 1.00 0.00 C ATOM 1686 OE1 GLU A 103 -1.855 -15.845 0.028 1.00 0.00 O ATOM 1687 OE2 GLU A 103 -3.138 -17.550 -0.265 1.00 0.00 O ATOM 0 H GLU A 103 -3.447 -11.434 -0.332 1.00 0.00 H new ATOM 0 HA GLU A 103 -5.312 -13.291 -1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -2.860 -13.786 -1.262 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.166 -13.755 0.464 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.912 -15.568 0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.495 -15.636 -1.554 1.00 0.00 H new TER 1694 GLU A 103 HETATM 1695 FE HEC A 104 -2.342 4.345 2.148 1.00 0.00 FE HETATM 1696 CHA HEC A 104 -3.624 4.292 -0.988 1.00 0.00 C HETATM 1697 CHB HEC A 104 -0.144 1.927 1.280 1.00 0.00 C HETATM 1698 CHC HEC A 104 -1.091 4.386 5.285 1.00 0.00 C HETATM 1699 CHD HEC A 104 -4.567 6.748 2.998 1.00 0.00 C HETATM 1700 NA HEC A 104 -1.964 3.336 0.510 1.00 0.00 N HETATM 1701 C1A HEC A 104 -2.587 3.435 -0.718 1.00 0.00 C HETATM 1702 C2A HEC A 104 -2.004 2.529 -1.683 1.00 0.00 C HETATM 1703 C3A HEC A 104 -1.096 1.795 -1.008 1.00 0.00 C HETATM 1704 C4A HEC A 104 -1.027 2.349 0.322 1.00 0.00 C HETATM 1705 CMA HEC A 104 -0.499 0.507 -1.466 1.00 0.00 C HETATM 1706 CAA HEC A 104 -2.104 2.623 -3.169 1.00 0.00 C HETATM 1707 CBA HEC A 104 -1.163 3.678 -3.753 1.00 0.00 C HETATM 1708 CGA HEC A 104 -1.703 5.073 -3.435 1.00 0.00 C HETATM 1709 O1A HEC A 104 -2.820 5.360 -3.831 1.00 0.00 O HETATM 1710 O2A HEC A 104 -0.991 5.832 -2.798 1.00 0.00 O HETATM 1711 NB HEC A 104 -0.911 3.377 3.078 1.00 0.00 N HETATM 1712 C1B HEC A 104 -0.073 2.408 2.570 1.00 0.00 C HETATM 1713 C2B HEC A 104 0.891 1.958 3.557 1.00 0.00 C HETATM 1714 C3B HEC A 104 0.535 2.565 4.734 1.00 0.00 C HETATM 1715 C4B HEC A 104 -0.523 3.500 4.394 1.00 0.00 C HETATM 1716 CMB HEC A 104 2.222 1.335 3.249 1.00 0.00 C HETATM 1717 CAB HEC A 104 0.854 2.096 6.130 1.00 0.00 C HETATM 1718 CBB HEC A 104 2.206 1.386 6.284 1.00 0.00 C HETATM 1719 NC HEC A 104 -2.736 5.348 3.779 1.00 0.00 N HETATM 1720 C1C HEC A 104 -2.117 5.250 5.001 1.00 0.00 C HETATM 1721 C2C HEC A 104 -2.676 6.176 5.955 1.00 0.00 C HETATM 1722 C3C HEC A 104 -3.731 6.763 5.343 1.00 0.00 C HETATM 1723 C4C HEC A 104 -3.711 6.304 3.975 1.00 0.00 C HETATM 1724 CMC HEC A 104 -2.006 6.661 7.195 1.00 0.00 C HETATM 1725 CAC HEC A 104 -4.867 7.446 6.025 1.00 0.00 C HETATM 1726 CBC HEC A 104 -4.579 8.913 6.351 1.00 0.00 C HETATM 1727 ND HEC A 104 -3.766 5.311 1.213 1.00 0.00 N HETATM 1728 C1D HEC A 104 -4.593 6.293 1.708 1.00 0.00 C HETATM 1729 C2D HEC A 104 -5.491 6.793 0.698 1.00 0.00 C HETATM 1730 C3D HEC A 104 -5.290 6.026 -0.396 1.00 0.00 C HETATM 1731 C4D HEC A 104 -4.179 5.165 -0.092 1.00 0.00 C HETATM 1732 CMD HEC A 104 -6.198 8.105 0.729 1.00 0.00 C HETATM 1733 CAD HEC A 104 -6.204 5.903 -1.567 1.00 0.00 C HETATM 1734 CBD HEC A 104 -5.646 6.590 -2.815 1.00 0.00 C HETATM 1735 CGD HEC A 104 -6.704 7.529 -3.396 1.00 0.00 C HETATM 1736 O1D HEC A 104 -7.142 8.412 -2.676 1.00 0.00 O HETATM 1737 O2D HEC A 104 -7.057 7.351 -4.549 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -6.837 8.153 1.611 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 -5.466 8.912 0.767 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 -6.808 8.211 -0.168 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -1.780 5.813 7.842 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -1.081 7.173 6.932 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -2.667 7.352 7.719 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 2.072 0.422 2.672 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 2.826 2.034 2.671 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.736 1.096 4.180 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -1.289 -0.230 -1.610 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 0.026 0.664 -2.408 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.203 0.144 -0.715 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 -4.746 7.151 -2.563 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 -5.360 5.844 -3.556 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -3.713 8.976 7.010 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 -4.373 9.457 5.429 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -5.445 9.352 6.846 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 2.228 0.502 5.646 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 3.008 2.064 5.992 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 2.344 1.087 7.323 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -0.163 3.560 -3.336 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -1.076 3.547 -4.832 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 -6.375 4.848 -1.782 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 -7.171 6.339 -1.317 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 -1.873 1.652 -3.608 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -3.130 2.863 -3.447 1.00 0.00 H new HETATM 0 HHD HEC A 104 -5.282 7.524 3.271 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.691 4.401 6.299 1.00 0.00 H new HETATM 0 HHB HEC A 104 0.562 1.145 0.999 1.00 0.00 H new HETATM 0 HHA HEC A 104 -4.039 4.276 -1.996 1.00 0.00 H new