USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 878 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 71 HIS HE2 : A 71 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 40 SER OG : rot 79:sc= -0.371! USER MOD Set 1.2: A 52 ASN : amide:sc= -1.77! C(o=-2.5!,f=-4!) USER MOD Set 1.3: A 78 THR OG1 : rot -170:sc= -0.358 USER MOD Set 2.1: A 26 HIS : no HD1:sc= -20.4! C(o=-32!,f=-45!) USER MOD Set 2.2: A 31 ASN : amide:sc= -11.3! C(o=-32!,f=-43!) USER MOD Set 3.1: A -5 THR OG1 : rot 180:sc= 0.138 USER MOD Set 3.2: A 62 ASN : amide:sc= -1.52! C(o=-1.4!,f=-1.4!) USER MOD Set 4.1: A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -29:sc= 0.731 USER MOD Single : A -2 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.116) USER MOD Single : A -5 THR N :NH3+ 146:sc= 0.363 (180deg=0.0205) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -78:sc= 0.511 USER MOD Single : A 16 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.4) USER MOD Single : A 19 THR OG1 : rot -110:sc= -0.292 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.68! C(o=-3.7!,f=-4.2!) USER MOD Single : A 39 HIS :FLIP no HD1:sc= -0.672 F(o=-1.5,f=-0.67) USER MOD Single : A 42 GLN : amide:sc= -0.462 K(o=-0.46,f=-5.2!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 121:sc= -0.182 USER MOD Single : A 49 THR OG1 : rot 132:sc= -1.59 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -124:sc= -0.113! (180deg=-1.87!) USER MOD Single : A 56 ASN : amide:sc= -2.39! C(o=-2.4!,f=-6.2!) USER MOD Single : A 63 ASN : amide:sc=-0.00268 K(o=-0.0027,f=-1.6!) USER MOD Single : A 64 MET CE :methyl 144:sc= -0.396 (180deg=-0.99) USER MOD Single : A 65 SER OG : rot 77:sc= 0.0287 USER MOD Single : A 67 TYR OH : rot -45:sc= 0.51 USER MOD Single : A 69 THR OG1 : rot -55:sc= 0.838 USER MOD Single : A 70 ASN :FLIP amide:sc= -2.66! C(o=-13!,f=-2.7!) USER MOD Single : A 73 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0446) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -154:sc= -0.308 (180deg=-1.6!) 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 92 ASN : amide:sc= -0.213 K(o=-0.21,f=-2.1!) USER MOD Single : A 96 THR OG1 : rot 86:sc= 1.19 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0917) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 80:sc= 0.388 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -16.445 5.598 -1.832 1.00 0.00 N ATOM 2 CA THR A -5 -16.998 6.245 -0.608 1.00 0.00 C ATOM 3 C THR A -5 -16.005 7.287 -0.088 1.00 0.00 C ATOM 4 O THR A -5 -14.808 7.155 -0.254 1.00 0.00 O ATOM 5 CB THR A -5 -17.233 5.182 0.468 1.00 0.00 C ATOM 6 OG1 THR A -5 -17.597 3.957 -0.150 1.00 0.00 O ATOM 7 CG2 THR A -5 -18.355 5.639 1.402 1.00 0.00 C ATOM 0 H1 THR A -5 -16.743 4.602 -1.863 1.00 0.00 H new ATOM 0 H2 THR A -5 -16.799 6.092 -2.676 1.00 0.00 H new ATOM 0 H3 THR A -5 -15.406 5.648 -1.812 1.00 0.00 H new ATOM 0 HA THR A -5 -17.942 6.733 -0.850 1.00 0.00 H new ATOM 0 HB THR A -5 -16.319 5.040 1.045 1.00 0.00 H new ATOM 0 HG1 THR A -5 -17.746 3.275 0.538 1.00 0.00 H new ATOM 0 HG21 THR A -5 -18.522 4.882 2.168 1.00 0.00 H new ATOM 0 HG22 THR A -5 -18.073 6.579 1.876 1.00 0.00 H new ATOM 0 HG23 THR A -5 -19.270 5.782 0.828 1.00 0.00 H new ATOM 17 N GLU A -4 -16.493 8.321 0.540 1.00 0.00 N ATOM 18 CA GLU A -4 -15.577 9.371 1.068 1.00 0.00 C ATOM 19 C GLU A -4 -14.589 8.739 2.052 1.00 0.00 C ATOM 20 O GLU A -4 -14.927 7.838 2.794 1.00 0.00 O ATOM 21 CB GLU A -4 -16.395 10.446 1.787 1.00 0.00 C ATOM 22 CG GLU A -4 -17.343 11.117 0.792 1.00 0.00 C ATOM 23 CD GLU A -4 -18.108 12.241 1.493 1.00 0.00 C ATOM 24 OE1 GLU A -4 -18.004 12.336 2.705 1.00 0.00 O ATOM 25 OE2 GLU A -4 -18.784 12.989 0.807 1.00 0.00 O ATOM 0 H GLU A -4 -17.485 8.484 0.710 1.00 0.00 H new ATOM 0 HA GLU A -4 -15.028 9.823 0.242 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -16.964 10.000 2.603 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -15.731 11.188 2.230 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -16.779 11.517 -0.050 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -18.042 10.384 0.388 1.00 0.00 H new ATOM 32 N PHE A -3 -13.371 9.207 2.065 1.00 0.00 N ATOM 33 CA PHE A -3 -12.360 8.638 2.998 1.00 0.00 C ATOM 34 C PHE A -3 -11.568 9.779 3.643 1.00 0.00 C ATOM 35 O PHE A -3 -11.606 10.906 3.189 1.00 0.00 O ATOM 36 CB PHE A -3 -11.418 7.709 2.226 1.00 0.00 C ATOM 37 CG PHE A -3 -10.642 8.502 1.201 1.00 0.00 C ATOM 38 CD1 PHE A -3 -11.246 8.866 -0.008 1.00 0.00 C ATOM 39 CD2 PHE A -3 -9.320 8.876 1.462 1.00 0.00 C ATOM 40 CE1 PHE A -3 -10.526 9.601 -0.957 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.599 9.612 0.515 1.00 0.00 C ATOM 42 CZ PHE A -3 -9.202 9.974 -0.695 1.00 0.00 C ATOM 0 H PHE A -3 -13.032 9.961 1.468 1.00 0.00 H new ATOM 0 HA PHE A -3 -12.859 8.065 3.779 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -10.731 7.218 2.915 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -11.991 6.923 1.733 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -12.268 8.580 -0.209 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -8.855 8.596 2.396 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -10.991 9.880 -1.891 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -7.578 9.900 0.718 1.00 0.00 H new ATOM 0 HZ PHE A -3 -8.646 10.541 -1.427 1.00 0.00 H new ATOM 52 N LYS A -2 -10.861 9.503 4.707 1.00 0.00 N ATOM 53 CA LYS A -2 -10.082 10.580 5.384 1.00 0.00 C ATOM 54 C LYS A -2 -8.907 11.002 4.499 1.00 0.00 C ATOM 55 O LYS A -2 -8.240 10.182 3.904 1.00 0.00 O ATOM 56 CB LYS A -2 -9.546 10.058 6.719 1.00 0.00 C ATOM 57 CG LYS A -2 -10.696 9.492 7.558 1.00 0.00 C ATOM 58 CD LYS A -2 -11.652 10.617 7.964 1.00 0.00 C ATOM 59 CE LYS A -2 -12.564 10.126 9.091 1.00 0.00 C ATOM 60 NZ LYS A -2 -13.439 9.033 8.582 1.00 0.00 N ATOM 0 H LYS A -2 -10.790 8.580 5.136 1.00 0.00 H new ATOM 0 HA LYS A -2 -10.731 11.438 5.558 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -8.798 9.285 6.543 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -9.051 10.863 7.262 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -11.234 8.734 6.988 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -10.301 9.001 8.447 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -11.087 11.489 8.292 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -12.249 10.929 7.107 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -11.965 9.767 9.928 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -13.173 10.949 9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -14.149 8.792 9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -13.919 9.348 7.715 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -12.861 8.195 8.372 1.00 0.00 H new ATOM 74 N ALA A -1 -8.651 12.279 4.409 1.00 0.00 N ATOM 75 CA ALA A -1 -7.523 12.756 3.562 1.00 0.00 C ATOM 76 C ALA A -1 -6.755 13.857 4.296 1.00 0.00 C ATOM 77 O ALA A -1 -6.675 13.871 5.508 1.00 0.00 O ATOM 78 CB ALA A -1 -8.075 13.310 2.249 1.00 0.00 C ATOM 0 H ALA A -1 -9.175 13.012 4.886 1.00 0.00 H new ATOM 0 HA ALA A -1 -6.850 11.924 3.355 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -7.251 13.660 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -8.619 12.525 1.723 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -8.749 14.140 2.459 1.00 0.00 H new ATOM 84 N GLY A 1 -6.188 14.780 3.567 1.00 0.00 N ATOM 85 CA GLY A 1 -5.425 15.884 4.218 1.00 0.00 C ATOM 86 C GLY A 1 -4.715 16.712 3.144 1.00 0.00 C ATOM 87 O GLY A 1 -5.159 17.781 2.777 1.00 0.00 O ATOM 0 H GLY A 1 -6.220 14.817 2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.100 16.517 4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.697 15.474 4.918 1.00 0.00 H new ATOM 91 N SER A 2 -3.619 16.221 2.632 1.00 0.00 N ATOM 92 CA SER A 2 -2.884 16.969 1.581 1.00 0.00 C ATOM 93 C SER A 2 -2.189 15.973 0.653 1.00 0.00 C ATOM 94 O SER A 2 -1.246 15.308 1.035 1.00 0.00 O ATOM 95 CB SER A 2 -1.840 17.877 2.233 1.00 0.00 C ATOM 96 OG SER A 2 -1.689 17.512 3.599 1.00 0.00 O ATOM 0 H SER A 2 -3.202 15.330 2.900 1.00 0.00 H new ATOM 0 HA SER A 2 -3.582 17.580 1.008 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.886 17.787 1.713 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.148 18.920 2.155 1.00 0.00 H new ATOM 0 HG SER A 2 -1.019 18.091 4.020 1.00 0.00 H new ATOM 102 N ALA A 3 -2.648 15.863 -0.561 1.00 0.00 N ATOM 103 CA ALA A 3 -2.016 14.908 -1.514 1.00 0.00 C ATOM 104 C ALA A 3 -0.572 15.334 -1.775 1.00 0.00 C ATOM 105 O ALA A 3 0.261 14.537 -2.158 1.00 0.00 O ATOM 106 CB ALA A 3 -2.795 14.914 -2.830 1.00 0.00 C ATOM 0 H ALA A 3 -3.434 16.393 -0.936 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.028 13.905 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.334 14.216 -3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.826 14.614 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.781 15.917 -3.257 1.00 0.00 H new ATOM 112 N LYS A 4 -0.273 16.587 -1.579 1.00 0.00 N ATOM 113 CA LYS A 4 1.114 17.071 -1.822 1.00 0.00 C ATOM 114 C LYS A 4 2.098 16.238 -0.998 1.00 0.00 C ATOM 115 O LYS A 4 3.002 15.623 -1.528 1.00 0.00 O ATOM 116 CB LYS A 4 1.204 18.532 -1.387 1.00 0.00 C ATOM 117 CG LYS A 4 0.176 19.357 -2.165 1.00 0.00 C ATOM 118 CD LYS A 4 -0.170 20.620 -1.373 1.00 0.00 C ATOM 119 CE LYS A 4 -1.278 20.302 -0.363 1.00 0.00 C ATOM 120 NZ LYS A 4 -1.714 21.560 0.307 1.00 0.00 N ATOM 0 H LYS A 4 -0.931 17.299 -1.260 1.00 0.00 H new ATOM 0 HA LYS A 4 1.360 16.977 -2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.019 18.616 -0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.208 18.916 -1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.575 19.626 -3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.723 18.766 -2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.714 20.991 -0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.496 21.409 -2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.123 19.835 -0.869 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.916 19.589 0.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.466 21.346 0.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.906 21.988 0.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.075 22.226 -0.406 1.00 0.00 H new ATOM 134 N LYS A 5 1.926 16.210 0.296 1.00 0.00 N ATOM 135 CA LYS A 5 2.844 15.415 1.153 1.00 0.00 C ATOM 136 C LYS A 5 2.668 13.926 0.854 1.00 0.00 C ATOM 137 O LYS A 5 3.617 13.168 0.841 1.00 0.00 O ATOM 138 CB LYS A 5 2.517 15.685 2.620 1.00 0.00 C ATOM 139 CG LYS A 5 2.812 17.149 2.950 1.00 0.00 C ATOM 140 CD LYS A 5 2.596 17.390 4.445 1.00 0.00 C ATOM 141 CE LYS A 5 2.777 18.878 4.754 1.00 0.00 C ATOM 142 NZ LYS A 5 3.037 19.055 6.210 1.00 0.00 N ATOM 0 H LYS A 5 1.187 16.705 0.795 1.00 0.00 H new ATOM 0 HA LYS A 5 3.876 15.701 0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.468 15.462 2.816 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.108 15.031 3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.838 17.395 2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.162 17.802 2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.597 17.066 4.736 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.304 16.798 5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.606 19.283 4.174 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.884 19.432 4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.160 20.066 6.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.232 18.684 6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.901 18.539 6.474 1.00 0.00 H new ATOM 156 N GLY A 6 1.457 13.503 0.623 1.00 0.00 N ATOM 157 CA GLY A 6 1.208 12.063 0.333 1.00 0.00 C ATOM 158 C GLY A 6 1.985 11.637 -0.910 1.00 0.00 C ATOM 159 O GLY A 6 2.526 10.552 -0.974 1.00 0.00 O ATOM 0 H GLY A 6 0.626 14.094 0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.509 11.455 1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.142 11.893 0.181 1.00 0.00 H new ATOM 163 N ALA A 7 2.044 12.481 -1.901 1.00 0.00 N ATOM 164 CA ALA A 7 2.785 12.112 -3.137 1.00 0.00 C ATOM 165 C ALA A 7 4.261 11.917 -2.800 1.00 0.00 C ATOM 166 O ALA A 7 4.887 10.970 -3.230 1.00 0.00 O ATOM 167 CB ALA A 7 2.640 13.229 -4.173 1.00 0.00 C ATOM 0 H ALA A 7 1.613 13.406 -1.909 1.00 0.00 H new ATOM 0 HA ALA A 7 2.378 11.187 -3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.183 12.958 -5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.586 13.370 -4.411 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.048 14.155 -3.769 1.00 0.00 H new ATOM 173 N THR A 8 4.822 12.805 -2.030 1.00 0.00 N ATOM 174 CA THR A 8 6.253 12.670 -1.662 1.00 0.00 C ATOM 175 C THR A 8 6.411 11.590 -0.591 1.00 0.00 C ATOM 176 O THR A 8 7.438 10.947 -0.495 1.00 0.00 O ATOM 177 CB THR A 8 6.762 14.005 -1.121 1.00 0.00 C ATOM 178 OG1 THR A 8 6.128 14.286 0.119 1.00 0.00 O ATOM 179 CG2 THR A 8 6.447 15.118 -2.122 1.00 0.00 C ATOM 0 H THR A 8 4.348 13.620 -1.640 1.00 0.00 H new ATOM 0 HA THR A 8 6.830 12.388 -2.543 1.00 0.00 H new ATOM 0 HB THR A 8 7.840 13.949 -0.972 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.241 13.869 0.135 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.811 16.070 -1.734 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.936 14.902 -3.072 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.369 15.176 -2.274 1.00 0.00 H new ATOM 187 N LEU A 9 5.407 11.384 0.219 1.00 0.00 N ATOM 188 CA LEU A 9 5.517 10.345 1.278 1.00 0.00 C ATOM 189 C LEU A 9 5.835 9.002 0.624 1.00 0.00 C ATOM 190 O LEU A 9 6.715 8.280 1.052 1.00 0.00 O ATOM 191 CB LEU A 9 4.191 10.249 2.034 1.00 0.00 C ATOM 192 CG LEU A 9 4.352 9.308 3.226 1.00 0.00 C ATOM 193 CD1 LEU A 9 5.349 9.909 4.217 1.00 0.00 C ATOM 194 CD2 LEU A 9 3.000 9.126 3.915 1.00 0.00 C ATOM 0 H LEU A 9 4.521 11.888 0.192 1.00 0.00 H new ATOM 0 HA LEU A 9 6.310 10.609 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.883 11.237 2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.408 9.882 1.371 1.00 0.00 H new ATOM 0 HG LEU A 9 4.719 8.342 2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.465 9.238 5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.313 10.043 3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.981 10.875 4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.113 8.455 4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.635 10.093 4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.286 8.701 3.209 1.00 0.00 H new ATOM 206 N PHE A 10 5.140 8.676 -0.428 1.00 0.00 N ATOM 207 CA PHE A 10 5.415 7.395 -1.131 1.00 0.00 C ATOM 208 C PHE A 10 6.833 7.440 -1.693 1.00 0.00 C ATOM 209 O PHE A 10 7.588 6.493 -1.598 1.00 0.00 O ATOM 210 CB PHE A 10 4.424 7.220 -2.284 1.00 0.00 C ATOM 211 CG PHE A 10 4.742 5.948 -3.040 1.00 0.00 C ATOM 212 CD1 PHE A 10 5.806 5.926 -3.953 1.00 0.00 C ATOM 213 CD2 PHE A 10 3.973 4.796 -2.835 1.00 0.00 C ATOM 214 CE1 PHE A 10 6.100 4.752 -4.660 1.00 0.00 C ATOM 215 CE2 PHE A 10 4.267 3.623 -3.542 1.00 0.00 C ATOM 216 CZ PHE A 10 5.331 3.602 -4.454 1.00 0.00 C ATOM 0 H PHE A 10 4.393 9.242 -0.831 1.00 0.00 H new ATOM 0 HA PHE A 10 5.311 6.562 -0.435 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.405 7.180 -1.898 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.477 8.077 -2.956 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.399 6.814 -4.112 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.153 4.812 -2.132 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.920 4.735 -5.363 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.674 2.735 -3.384 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.557 2.697 -4.998 1.00 0.00 H new ATOM 226 N LYS A 11 7.189 8.541 -2.296 1.00 0.00 N ATOM 227 CA LYS A 11 8.543 8.669 -2.888 1.00 0.00 C ATOM 228 C LYS A 11 9.623 8.578 -1.805 1.00 0.00 C ATOM 229 O LYS A 11 10.704 8.079 -2.039 1.00 0.00 O ATOM 230 CB LYS A 11 8.655 10.021 -3.593 1.00 0.00 C ATOM 231 CG LYS A 11 7.661 10.080 -4.753 1.00 0.00 C ATOM 232 CD LYS A 11 7.870 11.376 -5.539 1.00 0.00 C ATOM 233 CE LYS A 11 6.796 11.495 -6.622 1.00 0.00 C ATOM 234 NZ LYS A 11 6.942 12.802 -7.325 1.00 0.00 N ATOM 0 H LYS A 11 6.593 9.362 -2.403 1.00 0.00 H new ATOM 0 HA LYS A 11 8.691 7.856 -3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.454 10.828 -2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.670 10.166 -3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.798 9.219 -5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.640 10.033 -4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.821 12.233 -4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.861 11.383 -5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.889 10.675 -7.334 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.804 11.419 -6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.212 12.884 -8.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.832 13.578 -6.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.884 12.857 -7.763 1.00 0.00 H new ATOM 248 N THR A 12 9.353 9.089 -0.637 1.00 0.00 N ATOM 249 CA THR A 12 10.380 9.067 0.439 1.00 0.00 C ATOM 250 C THR A 12 10.216 7.843 1.347 1.00 0.00 C ATOM 251 O THR A 12 10.893 7.726 2.349 1.00 0.00 O ATOM 252 CB THR A 12 10.238 10.336 1.277 1.00 0.00 C ATOM 253 OG1 THR A 12 8.970 10.340 1.917 1.00 0.00 O ATOM 254 CG2 THR A 12 10.360 11.564 0.373 1.00 0.00 C ATOM 0 H THR A 12 8.465 9.521 -0.381 1.00 0.00 H new ATOM 0 HA THR A 12 11.366 9.015 -0.023 1.00 0.00 H new ATOM 0 HB THR A 12 11.025 10.364 2.030 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.279 10.597 1.272 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.258 12.469 0.972 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.334 11.560 -0.116 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.575 11.539 -0.382 1.00 0.00 H new ATOM 262 N ARG A 13 9.331 6.934 1.030 1.00 0.00 N ATOM 263 CA ARG A 13 9.163 5.744 1.919 1.00 0.00 C ATOM 264 C ARG A 13 8.964 4.462 1.105 1.00 0.00 C ATOM 265 O ARG A 13 9.781 3.563 1.147 1.00 0.00 O ATOM 266 CB ARG A 13 7.952 5.954 2.830 1.00 0.00 C ATOM 267 CG ARG A 13 8.247 7.081 3.823 1.00 0.00 C ATOM 268 CD ARG A 13 7.107 7.178 4.838 1.00 0.00 C ATOM 269 NE ARG A 13 7.336 8.346 5.734 1.00 0.00 N ATOM 270 CZ ARG A 13 8.264 8.295 6.650 1.00 0.00 C ATOM 271 NH1 ARG A 13 8.992 7.219 6.780 1.00 0.00 N ATOM 272 NH2 ARG A 13 8.465 9.317 7.435 1.00 0.00 N ATOM 0 H ARG A 13 8.726 6.961 0.209 1.00 0.00 H new ATOM 0 HA ARG A 13 10.070 5.636 2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.074 6.202 2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.724 5.033 3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.190 6.891 4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.358 8.027 3.293 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.154 7.285 4.321 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.050 6.262 5.425 1.00 0.00 H new ATOM 0 HE ARG A 13 6.767 9.186 5.631 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.835 6.420 6.166 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.718 7.178 7.496 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.896 10.158 7.333 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.191 9.276 8.151 1.00 0.00 H new ATOM 286 N CYS A 14 7.879 4.348 0.392 1.00 0.00 N ATOM 287 CA CYS A 14 7.634 3.099 -0.386 1.00 0.00 C ATOM 288 C CYS A 14 8.656 2.968 -1.521 1.00 0.00 C ATOM 289 O CYS A 14 8.987 1.877 -1.941 1.00 0.00 O ATOM 290 CB CYS A 14 6.215 3.110 -0.961 1.00 0.00 C ATOM 291 SG CYS A 14 5.072 4.020 0.130 1.00 0.00 S ATOM 0 H CYS A 14 7.154 5.061 0.313 1.00 0.00 H new ATOM 0 HA CYS A 14 7.742 2.245 0.283 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.223 3.570 -1.949 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.863 2.086 -1.089 1.00 0.00 H new ATOM 296 N LEU A 15 9.159 4.061 -2.024 1.00 0.00 N ATOM 297 CA LEU A 15 10.157 3.980 -3.131 1.00 0.00 C ATOM 298 C LEU A 15 11.345 3.115 -2.702 1.00 0.00 C ATOM 299 O LEU A 15 11.926 2.404 -3.498 1.00 0.00 O ATOM 300 CB LEU A 15 10.654 5.383 -3.478 1.00 0.00 C ATOM 301 CG LEU A 15 11.635 5.316 -4.652 1.00 0.00 C ATOM 302 CD1 LEU A 15 10.898 4.868 -5.917 1.00 0.00 C ATOM 303 CD2 LEU A 15 12.241 6.701 -4.885 1.00 0.00 C ATOM 0 H LEU A 15 8.924 5.005 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 15 9.682 3.533 -4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.810 6.023 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.141 5.830 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 15 12.425 4.601 -4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.600 4.822 -6.750 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.462 3.882 -5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.107 5.581 -6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.940 6.657 -5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.447 7.412 -5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.769 7.023 -3.987 1.00 0.00 H new ATOM 315 N GLN A 16 11.721 3.184 -1.457 1.00 0.00 N ATOM 316 CA GLN A 16 12.883 2.381 -0.985 1.00 0.00 C ATOM 317 C GLN A 16 12.650 0.891 -1.257 1.00 0.00 C ATOM 318 O GLN A 16 13.572 0.167 -1.579 1.00 0.00 O ATOM 319 CB GLN A 16 13.070 2.597 0.519 1.00 0.00 C ATOM 320 CG GLN A 16 13.361 4.074 0.794 1.00 0.00 C ATOM 321 CD GLN A 16 14.649 4.485 0.080 1.00 0.00 C ATOM 322 OE1 GLN A 16 15.661 3.821 0.195 1.00 0.00 O ATOM 323 NE2 GLN A 16 14.656 5.560 -0.661 1.00 0.00 N ATOM 0 H GLN A 16 11.274 3.762 -0.745 1.00 0.00 H new ATOM 0 HA GLN A 16 13.775 2.703 -1.522 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.173 2.287 1.055 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.890 1.980 0.886 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.530 4.689 0.449 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.458 4.242 1.867 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.808 6.118 -0.758 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.510 5.842 -1.143 1.00 0.00 H new ATOM 332 N CYS A 17 11.435 0.421 -1.119 1.00 0.00 N ATOM 333 CA CYS A 17 11.166 -1.031 -1.358 1.00 0.00 C ATOM 334 C CYS A 17 10.256 -1.220 -2.575 1.00 0.00 C ATOM 335 O CYS A 17 10.520 -2.042 -3.431 1.00 0.00 O ATOM 336 CB CYS A 17 10.504 -1.633 -0.117 1.00 0.00 C ATOM 337 SG CYS A 17 11.623 -1.472 1.306 1.00 0.00 S ATOM 0 H CYS A 17 10.622 0.976 -0.853 1.00 0.00 H new ATOM 0 HA CYS A 17 12.111 -1.537 -1.555 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.562 -1.125 0.088 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.268 -2.683 -0.291 1.00 0.00 H new ATOM 342 N HIS A 18 9.189 -0.480 -2.665 1.00 0.00 N ATOM 343 CA HIS A 18 8.273 -0.643 -3.835 1.00 0.00 C ATOM 344 C HIS A 18 8.590 0.400 -4.897 1.00 0.00 C ATOM 345 O HIS A 18 9.076 1.470 -4.606 1.00 0.00 O ATOM 346 CB HIS A 18 6.821 -0.421 -3.419 1.00 0.00 C ATOM 347 CG HIS A 18 6.423 -1.358 -2.323 1.00 0.00 C ATOM 348 ND1 HIS A 18 6.165 -2.707 -2.543 1.00 0.00 N ATOM 349 CD2 HIS A 18 6.163 -1.136 -1.001 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.755 -3.234 -1.374 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.737 -2.311 -0.414 1.00 0.00 N ATOM 0 H HIS A 18 8.909 0.228 -1.986 1.00 0.00 H new ATOM 0 HA HIS A 18 8.413 -1.653 -4.219 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.689 0.609 -3.087 1.00 0.00 H new ATOM 0 HB3 HIS A 18 6.167 -0.565 -4.279 1.00 0.00 H new ATOM 0 HD1 HIS A 18 6.268 -3.205 -3.427 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.273 -0.189 -0.494 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.477 -4.268 -1.233 1.00 0.00 H new ATOM 359 N THR A 19 8.272 0.104 -6.123 1.00 0.00 N ATOM 360 CA THR A 19 8.499 1.086 -7.218 1.00 0.00 C ATOM 361 C THR A 19 7.163 1.342 -7.917 1.00 0.00 C ATOM 362 O THR A 19 6.393 0.432 -8.153 1.00 0.00 O ATOM 363 CB THR A 19 9.511 0.526 -8.217 1.00 0.00 C ATOM 364 OG1 THR A 19 9.056 -0.730 -8.699 1.00 0.00 O ATOM 365 CG2 THR A 19 10.864 0.354 -7.524 1.00 0.00 C ATOM 0 H THR A 19 7.861 -0.782 -6.417 1.00 0.00 H new ATOM 0 HA THR A 19 8.894 2.017 -6.811 1.00 0.00 H new ATOM 0 HB THR A 19 9.618 1.215 -9.055 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.628 -1.443 -8.345 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.588 -0.045 -8.234 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.210 1.320 -7.157 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.759 -0.336 -6.686 1.00 0.00 H new ATOM 373 N VAL A 20 6.877 2.570 -8.242 1.00 0.00 N ATOM 374 CA VAL A 20 5.584 2.879 -8.914 1.00 0.00 C ATOM 375 C VAL A 20 5.554 2.230 -10.299 1.00 0.00 C ATOM 376 O VAL A 20 4.524 1.782 -10.763 1.00 0.00 O ATOM 377 CB VAL A 20 5.432 4.394 -9.052 1.00 0.00 C ATOM 378 CG1 VAL A 20 4.182 4.712 -9.874 1.00 0.00 C ATOM 379 CG2 VAL A 20 5.303 5.026 -7.664 1.00 0.00 C ATOM 0 H VAL A 20 7.482 3.374 -8.072 1.00 0.00 H new ATOM 0 HA VAL A 20 4.762 2.485 -8.316 1.00 0.00 H new ATOM 0 HB VAL A 20 6.310 4.799 -9.555 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.076 5.792 -9.971 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.275 4.266 -10.864 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.304 4.304 -9.373 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.195 6.106 -7.765 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.427 4.619 -7.159 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.195 4.804 -7.079 1.00 0.00 H new ATOM 389 N GLU A 21 6.674 2.178 -10.967 1.00 0.00 N ATOM 390 CA GLU A 21 6.700 1.559 -12.321 1.00 0.00 C ATOM 391 C GLU A 21 6.088 0.159 -12.250 1.00 0.00 C ATOM 392 O GLU A 21 6.234 -0.543 -11.271 1.00 0.00 O ATOM 393 CB GLU A 21 8.146 1.460 -12.811 1.00 0.00 C ATOM 394 CG GLU A 21 8.735 2.865 -12.943 1.00 0.00 C ATOM 395 CD GLU A 21 10.161 2.773 -13.489 1.00 0.00 C ATOM 396 OE1 GLU A 21 10.672 1.667 -13.573 1.00 0.00 O ATOM 397 OE2 GLU A 21 10.719 3.808 -13.812 1.00 0.00 O ATOM 0 H GLU A 21 7.569 2.536 -10.634 1.00 0.00 H new ATOM 0 HA GLU A 21 6.125 2.174 -13.013 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.739 0.869 -12.112 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.182 0.947 -13.772 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.118 3.468 -13.609 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.737 3.362 -11.973 1.00 0.00 H new ATOM 404 N LYS A 22 5.399 -0.247 -13.280 1.00 0.00 N ATOM 405 CA LYS A 22 4.772 -1.598 -13.268 1.00 0.00 C ATOM 406 C LYS A 22 5.821 -2.651 -13.628 1.00 0.00 C ATOM 407 O LYS A 22 6.587 -2.485 -14.557 1.00 0.00 O ATOM 408 CB LYS A 22 3.636 -1.642 -14.292 1.00 0.00 C ATOM 409 CG LYS A 22 2.544 -0.651 -13.887 1.00 0.00 C ATOM 410 CD LYS A 22 1.357 -0.781 -14.843 1.00 0.00 C ATOM 411 CE LYS A 22 0.310 0.284 -14.508 1.00 0.00 C ATOM 412 NZ LYS A 22 -0.689 -0.283 -13.557 1.00 0.00 N ATOM 0 H LYS A 22 5.243 0.297 -14.128 1.00 0.00 H new ATOM 0 HA LYS A 22 4.375 -1.805 -12.274 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.016 -1.395 -15.283 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.224 -2.649 -14.350 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.223 -0.845 -12.864 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.934 0.366 -13.911 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.692 -0.664 -15.874 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.918 -1.775 -14.761 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.792 1.157 -14.068 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.188 0.619 -15.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.401 0.440 -13.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.156 -1.103 -13.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.207 -0.582 -12.685 1.00 0.00 H new ATOM 426 N GLY A 23 5.859 -3.733 -12.903 1.00 0.00 N ATOM 427 CA GLY A 23 6.856 -4.798 -13.207 1.00 0.00 C ATOM 428 C GLY A 23 8.237 -4.362 -12.711 1.00 0.00 C ATOM 429 O GLY A 23 9.250 -4.708 -13.285 1.00 0.00 O ATOM 0 H GLY A 23 5.243 -3.927 -12.113 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.564 -5.732 -12.727 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.886 -4.987 -14.280 1.00 0.00 H new ATOM 433 N GLY A 24 8.284 -3.605 -11.651 1.00 0.00 N ATOM 434 CA GLY A 24 9.600 -3.146 -11.121 1.00 0.00 C ATOM 435 C GLY A 24 10.450 -4.359 -10.735 1.00 0.00 C ATOM 436 O GLY A 24 9.963 -5.469 -10.650 1.00 0.00 O ATOM 0 H GLY A 24 7.469 -3.284 -11.128 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.118 -2.551 -11.873 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.450 -2.504 -10.253 1.00 0.00 H new ATOM 440 N PRO A 25 11.716 -4.139 -10.514 1.00 0.00 N ATOM 441 CA PRO A 25 12.679 -5.218 -10.139 1.00 0.00 C ATOM 442 C PRO A 25 12.282 -5.957 -8.854 1.00 0.00 C ATOM 443 O PRO A 25 12.783 -7.027 -8.573 1.00 0.00 O ATOM 444 CB PRO A 25 14.012 -4.486 -9.940 1.00 0.00 C ATOM 445 CG PRO A 25 13.676 -3.033 -9.836 1.00 0.00 C ATOM 446 CD PRO A 25 12.370 -2.830 -10.598 1.00 0.00 C ATOM 0 HA PRO A 25 12.716 -5.989 -10.908 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.517 -4.835 -9.039 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.687 -4.671 -10.776 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.566 -2.735 -8.793 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.471 -2.420 -10.261 1.00 0.00 H new ATOM 0 HD2 PRO A 25 11.760 -2.047 -10.147 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.550 -2.537 -11.632 1.00 0.00 H new ATOM 454 N HIS A 26 11.401 -5.397 -8.067 1.00 0.00 N ATOM 455 CA HIS A 26 10.994 -6.081 -6.802 1.00 0.00 C ATOM 456 C HIS A 26 12.239 -6.346 -5.954 1.00 0.00 C ATOM 457 O HIS A 26 12.413 -7.418 -5.410 1.00 0.00 O ATOM 458 CB HIS A 26 10.322 -7.418 -7.124 1.00 0.00 C ATOM 459 CG HIS A 26 9.203 -7.204 -8.092 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.047 -6.517 -7.754 1.00 0.00 N ATOM 461 CD2 HIS A 26 9.043 -7.599 -9.389 1.00 0.00 C ATOM 462 CE1 HIS A 26 7.247 -6.520 -8.836 1.00 0.00 C ATOM 463 NE2 HIS A 26 7.810 -7.167 -9.858 1.00 0.00 N ATOM 0 H HIS A 26 10.947 -4.501 -8.243 1.00 0.00 H new ATOM 0 HA HIS A 26 10.295 -5.445 -6.259 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.052 -8.110 -7.545 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.942 -7.873 -6.210 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.765 -8.161 -9.962 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.272 -6.057 -8.873 1.00 0.00 H new ATOM 0 HE2 HIS A 26 7.417 -7.313 -10.788 1.00 0.00 H new ATOM 472 N LYS A 27 13.120 -5.389 -5.853 1.00 0.00 N ATOM 473 CA LYS A 27 14.361 -5.601 -5.061 1.00 0.00 C ATOM 474 C LYS A 27 14.010 -6.055 -3.647 1.00 0.00 C ATOM 475 O LYS A 27 14.101 -7.221 -3.314 1.00 0.00 O ATOM 476 CB LYS A 27 15.130 -4.284 -4.977 1.00 0.00 C ATOM 477 CG LYS A 27 15.449 -3.793 -6.384 1.00 0.00 C ATOM 478 CD LYS A 27 16.345 -2.555 -6.306 1.00 0.00 C ATOM 479 CE LYS A 27 16.558 -1.990 -7.712 1.00 0.00 C ATOM 480 NZ LYS A 27 17.847 -1.243 -7.756 1.00 0.00 N ATOM 0 H LYS A 27 13.033 -4.469 -6.286 1.00 0.00 H new ATOM 0 HA LYS A 27 14.967 -6.366 -5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.539 -3.538 -4.445 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.051 -4.424 -4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.948 -4.580 -6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.527 -3.554 -6.914 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.887 -1.801 -5.665 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.304 -2.815 -5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.569 -2.799 -8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.733 -1.330 -7.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.993 -0.858 -8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.820 -0.463 -7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.629 -1.886 -7.518 1.00 0.00 H new ATOM 494 N VAL A 28 13.624 -5.137 -2.809 1.00 0.00 N ATOM 495 CA VAL A 28 13.281 -5.504 -1.406 1.00 0.00 C ATOM 496 C VAL A 28 11.965 -6.281 -1.368 1.00 0.00 C ATOM 497 O VAL A 28 11.862 -7.317 -0.743 1.00 0.00 O ATOM 498 CB VAL A 28 13.131 -4.236 -0.573 1.00 0.00 C ATOM 499 CG1 VAL A 28 13.002 -4.607 0.906 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.354 -3.344 -0.779 1.00 0.00 C ATOM 0 H VAL A 28 13.530 -4.146 -3.034 1.00 0.00 H new ATOM 0 HA VAL A 28 14.078 -6.127 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 28 12.236 -3.698 -0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.895 -3.700 1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.125 -5.239 1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.894 -5.147 1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.247 -2.437 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.251 -3.879 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.437 -3.078 -1.833 1.00 0.00 H new ATOM 510 N GLY A 29 10.952 -5.781 -2.021 1.00 0.00 N ATOM 511 CA GLY A 29 9.640 -6.488 -2.004 1.00 0.00 C ATOM 512 C GLY A 29 8.909 -6.279 -3.328 1.00 0.00 C ATOM 513 O GLY A 29 9.308 -5.478 -4.150 1.00 0.00 O ATOM 0 H GLY A 29 10.975 -4.917 -2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.795 -7.553 -1.830 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.029 -6.117 -1.181 1.00 0.00 H new ATOM 517 N PRO A 30 7.833 -6.994 -3.522 1.00 0.00 N ATOM 518 CA PRO A 30 7.017 -6.883 -4.754 1.00 0.00 C ATOM 519 C PRO A 30 6.638 -5.432 -5.036 1.00 0.00 C ATOM 520 O PRO A 30 6.543 -4.620 -4.137 1.00 0.00 O ATOM 521 CB PRO A 30 5.757 -7.707 -4.477 1.00 0.00 C ATOM 522 CG PRO A 30 6.002 -8.490 -3.225 1.00 0.00 C ATOM 523 CD PRO A 30 7.293 -7.979 -2.577 1.00 0.00 C ATOM 0 HA PRO A 30 7.566 -7.239 -5.626 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.891 -7.056 -4.360 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.543 -8.374 -5.312 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.163 -8.378 -2.538 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.087 -9.552 -3.453 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.094 -7.525 -1.606 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.999 -8.793 -2.410 1.00 0.00 H new ATOM 531 N ASN A 31 6.429 -5.094 -6.273 1.00 0.00 N ATOM 532 CA ASN A 31 6.065 -3.693 -6.600 1.00 0.00 C ATOM 533 C ASN A 31 4.545 -3.588 -6.734 1.00 0.00 C ATOM 534 O ASN A 31 3.908 -4.402 -7.373 1.00 0.00 O ATOM 535 CB ASN A 31 6.747 -3.301 -7.906 1.00 0.00 C ATOM 536 CG ASN A 31 8.217 -3.716 -7.841 1.00 0.00 C ATOM 537 OD1 ASN A 31 8.777 -4.164 -8.819 1.00 0.00 O ATOM 538 ND2 ASN A 31 8.866 -3.602 -6.713 1.00 0.00 N ATOM 0 H ASN A 31 6.494 -5.726 -7.071 1.00 0.00 H new ATOM 0 HA ASN A 31 6.394 -3.018 -5.810 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.255 -3.787 -8.749 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.666 -2.226 -8.066 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.843 -3.890 -6.655 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.396 -3.225 -5.890 1.00 0.00 H new ATOM 545 N LEU A 32 3.957 -2.606 -6.108 1.00 0.00 N ATOM 546 CA LEU A 32 2.477 -2.456 -6.160 1.00 0.00 C ATOM 547 C LEU A 32 2.073 -1.629 -7.387 1.00 0.00 C ATOM 548 O LEU A 32 2.384 -1.972 -8.509 1.00 0.00 O ATOM 549 CB LEU A 32 2.007 -1.739 -4.888 1.00 0.00 C ATOM 550 CG LEU A 32 2.103 -2.672 -3.670 1.00 0.00 C ATOM 551 CD1 LEU A 32 1.006 -3.737 -3.737 1.00 0.00 C ATOM 552 CD2 LEU A 32 3.470 -3.354 -3.639 1.00 0.00 C ATOM 0 H LEU A 32 4.443 -1.897 -5.559 1.00 0.00 H new ATOM 0 HA LEU A 32 2.015 -3.441 -6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.615 -0.850 -4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.978 -1.402 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 32 1.975 -2.078 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.082 -4.393 -2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.029 -3.253 -3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.124 -4.324 -4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.528 -4.013 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.606 -3.938 -4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.252 -2.598 -3.573 1.00 0.00 H new ATOM 564 N HIS A 33 1.379 -0.540 -7.170 1.00 0.00 N ATOM 565 CA HIS A 33 0.944 0.329 -8.302 1.00 0.00 C ATOM 566 C HIS A 33 -0.031 -0.423 -9.215 1.00 0.00 C ATOM 567 O HIS A 33 0.314 -0.808 -10.314 1.00 0.00 O ATOM 568 CB HIS A 33 2.165 0.769 -9.116 1.00 0.00 C ATOM 569 CG HIS A 33 1.780 1.919 -10.005 1.00 0.00 C ATOM 570 ND1 HIS A 33 1.385 3.148 -9.495 1.00 0.00 N ATOM 571 CD2 HIS A 33 1.721 2.043 -11.372 1.00 0.00 C ATOM 572 CE1 HIS A 33 1.108 3.951 -10.540 1.00 0.00 C ATOM 573 NE2 HIS A 33 1.297 3.325 -11.703 1.00 0.00 N ATOM 0 H HIS A 33 1.093 -0.214 -6.247 1.00 0.00 H new ATOM 0 HA HIS A 33 0.440 1.204 -7.892 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.974 1.065 -8.448 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.535 -0.062 -9.716 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.966 1.265 -12.080 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.774 4.974 -10.448 1.00 0.00 H new ATOM 0 HE2 HIS A 33 1.159 3.707 -12.639 1.00 0.00 H new ATOM 582 N GLY A 34 -1.252 -0.622 -8.782 1.00 0.00 N ATOM 583 CA GLY A 34 -2.235 -1.331 -9.654 1.00 0.00 C ATOM 584 C GLY A 34 -3.109 -2.283 -8.830 1.00 0.00 C ATOM 585 O GLY A 34 -4.188 -2.656 -9.247 1.00 0.00 O ATOM 0 H GLY A 34 -1.606 -0.327 -7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.865 -0.603 -10.165 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.706 -1.892 -10.425 1.00 0.00 H new ATOM 589 N ILE A 35 -2.655 -2.698 -7.680 1.00 0.00 N ATOM 590 CA ILE A 35 -3.474 -3.641 -6.864 1.00 0.00 C ATOM 591 C ILE A 35 -4.654 -2.915 -6.210 1.00 0.00 C ATOM 592 O ILE A 35 -5.493 -3.530 -5.584 1.00 0.00 O ATOM 593 CB ILE A 35 -2.608 -4.297 -5.780 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.369 -3.320 -4.619 1.00 0.00 C ATOM 595 CG2 ILE A 35 -1.264 -4.706 -6.382 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.758 -2.022 -5.148 1.00 0.00 C ATOM 0 H ILE A 35 -1.760 -2.428 -7.271 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.863 -4.411 -7.530 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.128 -5.176 -5.400 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.310 -3.109 -4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.704 -3.772 -3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.648 -5.172 -5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.429 -5.415 -7.194 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.755 -3.823 -6.769 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.591 -1.334 -4.319 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.808 -2.239 -5.636 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.439 -1.566 -5.867 1.00 0.00 H new ATOM 608 N PHE A 36 -4.731 -1.620 -6.335 1.00 0.00 N ATOM 609 CA PHE A 36 -5.865 -0.890 -5.699 1.00 0.00 C ATOM 610 C PHE A 36 -7.189 -1.491 -6.179 1.00 0.00 C ATOM 611 O PHE A 36 -8.253 -1.106 -5.735 1.00 0.00 O ATOM 612 CB PHE A 36 -5.801 0.594 -6.071 1.00 0.00 C ATOM 613 CG PHE A 36 -5.329 1.392 -4.874 1.00 0.00 C ATOM 614 CD1 PHE A 36 -4.069 1.143 -4.316 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.154 2.379 -4.321 1.00 0.00 C ATOM 616 CE1 PHE A 36 -3.634 1.880 -3.209 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.720 3.116 -3.213 1.00 0.00 C ATOM 618 CZ PHE A 36 -4.459 2.866 -2.657 1.00 0.00 C ATOM 0 H PHE A 36 -4.065 -1.039 -6.845 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.796 -0.986 -4.615 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.122 0.741 -6.911 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.783 0.943 -6.390 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.432 0.381 -4.741 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.126 2.572 -4.750 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.661 1.688 -2.781 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.357 3.877 -2.787 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.123 3.434 -1.802 1.00 0.00 H new ATOM 628 N GLY A 37 -7.133 -2.436 -7.079 1.00 0.00 N ATOM 629 CA GLY A 37 -8.389 -3.065 -7.581 1.00 0.00 C ATOM 630 C GLY A 37 -8.162 -4.563 -7.803 1.00 0.00 C ATOM 631 O GLY A 37 -8.714 -5.155 -8.708 1.00 0.00 O ATOM 0 H GLY A 37 -6.272 -2.799 -7.488 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.196 -2.912 -6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.697 -2.592 -8.513 1.00 0.00 H new ATOM 635 N ARG A 38 -7.351 -5.178 -6.985 1.00 0.00 N ATOM 636 CA ARG A 38 -7.084 -6.638 -7.151 1.00 0.00 C ATOM 637 C ARG A 38 -7.134 -7.338 -5.797 1.00 0.00 C ATOM 638 O ARG A 38 -7.252 -6.715 -4.761 1.00 0.00 O ATOM 639 CB ARG A 38 -5.694 -6.848 -7.755 1.00 0.00 C ATOM 640 CG ARG A 38 -5.649 -6.296 -9.180 1.00 0.00 C ATOM 641 CD ARG A 38 -6.258 -7.316 -10.147 1.00 0.00 C ATOM 642 NE ARG A 38 -6.028 -6.869 -11.550 1.00 0.00 N ATOM 643 CZ ARG A 38 -6.706 -5.863 -12.033 1.00 0.00 C ATOM 644 NH1 ARG A 38 -7.585 -5.250 -11.287 1.00 0.00 N ATOM 645 NH2 ARG A 38 -6.506 -5.472 -13.261 1.00 0.00 N ATOM 0 H ARG A 38 -6.861 -4.733 -6.209 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.845 -7.054 -7.811 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.944 -6.351 -7.141 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.449 -7.910 -7.761 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.198 -5.356 -9.234 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.619 -6.080 -9.465 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.809 -8.297 -9.988 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.326 -7.420 -9.958 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.342 -7.349 -12.132 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.742 -5.557 -10.327 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.115 -4.464 -11.664 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.820 -5.952 -13.844 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.035 -4.686 -13.639 1.00 0.00 H new ATOM 659 N HIS A 39 -7.028 -8.636 -5.807 1.00 0.00 N ATOM 660 CA HIS A 39 -7.049 -9.403 -4.534 1.00 0.00 C ATOM 661 C HIS A 39 -5.621 -9.526 -4.005 1.00 0.00 C ATOM 662 O HIS A 39 -4.684 -9.696 -4.759 1.00 0.00 O ATOM 663 CB HIS A 39 -7.619 -10.798 -4.792 1.00 0.00 C ATOM 664 CG HIS A 39 -9.120 -10.735 -4.815 1.00 0.00 C ATOM 665 ND1 HIS A 39 -10.072 -11.177 -3.928 1.00 0.00 N flip ATOM 666 CD2 HIS A 39 -9.819 -10.163 -5.866 1.00 0.00 C flip ATOM 667 CE1 HIS A 39 -11.338 -10.884 -4.423 1.00 0.00 C flip ATOM 668 NE2 HIS A 39 -11.131 -10.274 -5.591 1.00 0.00 N flip ATOM 0 H HIS A 39 -6.927 -9.202 -6.649 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.671 -8.888 -3.801 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.247 -11.184 -5.741 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.286 -11.487 -4.016 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.388 -9.710 -6.747 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.288 -11.104 -3.960 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -11.875 -9.934 -6.200 1.00 0.00 H new ATOM 677 N SER A 40 -5.443 -9.431 -2.717 1.00 0.00 N ATOM 678 CA SER A 40 -4.070 -9.533 -2.157 1.00 0.00 C ATOM 679 C SER A 40 -3.414 -10.815 -2.656 1.00 0.00 C ATOM 680 O SER A 40 -4.018 -11.867 -2.683 1.00 0.00 O ATOM 681 CB SER A 40 -4.134 -9.565 -0.630 1.00 0.00 C ATOM 682 OG SER A 40 -3.105 -8.742 -0.098 1.00 0.00 O ATOM 0 H SER A 40 -6.185 -9.288 -2.032 1.00 0.00 H new ATOM 0 HA SER A 40 -3.487 -8.669 -2.478 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.108 -9.215 -0.288 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.019 -10.588 -0.271 1.00 0.00 H new ATOM 0 HG SER A 40 -3.376 -7.802 -0.155 1.00 0.00 H new ATOM 688 N GLY A 41 -2.177 -10.735 -3.043 1.00 0.00 N ATOM 689 CA GLY A 41 -1.473 -11.948 -3.534 1.00 0.00 C ATOM 690 C GLY A 41 -1.388 -11.927 -5.059 1.00 0.00 C ATOM 691 O GLY A 41 -0.762 -12.778 -5.661 1.00 0.00 O ATOM 0 H GLY A 41 -1.620 -9.880 -3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.471 -11.994 -3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.001 -12.843 -3.204 1.00 0.00 H new ATOM 695 N GLN A 42 -2.007 -10.967 -5.694 1.00 0.00 N ATOM 696 CA GLN A 42 -1.949 -10.912 -7.181 1.00 0.00 C ATOM 697 C GLN A 42 -0.970 -9.824 -7.623 1.00 0.00 C ATOM 698 O GLN A 42 -1.151 -8.656 -7.344 1.00 0.00 O ATOM 699 CB GLN A 42 -3.343 -10.611 -7.733 1.00 0.00 C ATOM 700 CG GLN A 42 -4.283 -11.752 -7.345 1.00 0.00 C ATOM 701 CD GLN A 42 -5.696 -11.447 -7.846 1.00 0.00 C ATOM 702 OE1 GLN A 42 -6.003 -10.321 -8.183 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.574 -12.410 -7.909 1.00 0.00 N ATOM 0 H GLN A 42 -2.546 -10.224 -5.250 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.607 -11.873 -7.565 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.711 -9.666 -7.333 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.305 -10.505 -8.817 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.929 -12.690 -7.773 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.290 -11.879 -6.262 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.315 -13.355 -7.626 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.519 -12.218 -8.241 1.00 0.00 H new ATOM 712 N ALA A 43 0.064 -10.206 -8.320 1.00 0.00 N ATOM 713 CA ALA A 43 1.062 -9.208 -8.796 1.00 0.00 C ATOM 714 C ALA A 43 1.903 -9.832 -9.912 1.00 0.00 C ATOM 715 O ALA A 43 2.751 -10.668 -9.671 1.00 0.00 O ATOM 716 CB ALA A 43 1.975 -8.794 -7.638 1.00 0.00 C ATOM 0 H ALA A 43 0.261 -11.172 -8.582 1.00 0.00 H new ATOM 0 HA ALA A 43 0.543 -8.327 -9.174 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.703 -8.064 -7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.376 -8.352 -6.842 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.497 -9.671 -7.255 1.00 0.00 H new ATOM 722 N GLU A 44 1.675 -9.430 -11.132 1.00 0.00 N ATOM 723 CA GLU A 44 2.458 -9.996 -12.263 1.00 0.00 C ATOM 724 C GLU A 44 3.932 -9.657 -12.061 1.00 0.00 C ATOM 725 O GLU A 44 4.808 -10.439 -12.373 1.00 0.00 O ATOM 726 CB GLU A 44 1.969 -9.390 -13.580 1.00 0.00 C ATOM 727 CG GLU A 44 0.518 -9.808 -13.827 1.00 0.00 C ATOM 728 CD GLU A 44 0.050 -9.256 -15.175 1.00 0.00 C ATOM 729 OE1 GLU A 44 0.777 -8.464 -15.753 1.00 0.00 O ATOM 730 OE2 GLU A 44 -1.026 -9.634 -15.606 1.00 0.00 O ATOM 0 H GLU A 44 0.978 -8.732 -11.393 1.00 0.00 H new ATOM 0 HA GLU A 44 2.328 -11.078 -12.298 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.044 -8.303 -13.542 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.600 -9.725 -14.403 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.435 -10.895 -13.819 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.121 -9.433 -13.027 1.00 0.00 H new ATOM 737 N GLY A 45 4.211 -8.501 -11.527 1.00 0.00 N ATOM 738 CA GLY A 45 5.628 -8.122 -11.292 1.00 0.00 C ATOM 739 C GLY A 45 6.277 -9.202 -10.428 1.00 0.00 C ATOM 740 O GLY A 45 7.423 -9.562 -10.618 1.00 0.00 O ATOM 0 H GLY A 45 3.520 -7.806 -11.245 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.157 -8.025 -12.240 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.685 -7.153 -10.795 1.00 0.00 H new ATOM 744 N TYR A 46 5.542 -9.733 -9.490 1.00 0.00 N ATOM 745 CA TYR A 46 6.099 -10.805 -8.620 1.00 0.00 C ATOM 746 C TYR A 46 5.018 -11.318 -7.675 1.00 0.00 C ATOM 747 O TYR A 46 4.389 -10.562 -6.962 1.00 0.00 O ATOM 748 CB TYR A 46 7.275 -10.263 -7.805 1.00 0.00 C ATOM 749 CG TYR A 46 7.510 -11.156 -6.607 1.00 0.00 C ATOM 750 CD1 TYR A 46 7.610 -12.543 -6.775 1.00 0.00 C ATOM 751 CD2 TYR A 46 7.621 -10.598 -5.327 1.00 0.00 C ATOM 752 CE1 TYR A 46 7.821 -13.369 -5.663 1.00 0.00 C ATOM 753 CE2 TYR A 46 7.833 -11.423 -4.216 1.00 0.00 C ATOM 754 CZ TYR A 46 7.932 -12.809 -4.384 1.00 0.00 C ATOM 755 OH TYR A 46 8.141 -13.624 -3.289 1.00 0.00 O ATOM 0 H TYR A 46 4.577 -9.469 -9.289 1.00 0.00 H new ATOM 0 HA TYR A 46 6.448 -11.623 -9.250 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.172 -10.222 -8.423 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.066 -9.244 -7.478 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.525 -12.975 -7.761 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.543 -9.529 -5.197 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.898 -14.438 -5.792 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.920 -10.990 -3.230 1.00 0.00 H new ATOM 0 HH TYR A 46 8.195 -13.076 -2.479 1.00 0.00 H new ATOM 765 N SER A 47 4.801 -12.604 -7.659 1.00 0.00 N ATOM 766 CA SER A 47 3.766 -13.164 -6.754 1.00 0.00 C ATOM 767 C SER A 47 4.190 -12.920 -5.306 1.00 0.00 C ATOM 768 O SER A 47 5.348 -13.044 -4.957 1.00 0.00 O ATOM 769 CB SER A 47 3.629 -14.667 -7.000 1.00 0.00 C ATOM 770 OG SER A 47 3.288 -14.890 -8.362 1.00 0.00 O ATOM 0 H SER A 47 5.295 -13.287 -8.233 1.00 0.00 H new ATOM 0 HA SER A 47 2.808 -12.681 -6.946 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.564 -15.173 -6.759 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.863 -15.086 -6.348 1.00 0.00 H new ATOM 0 HG SER A 47 3.201 -15.853 -8.524 1.00 0.00 H new ATOM 776 N TYR A 48 3.263 -12.572 -4.465 1.00 0.00 N ATOM 777 CA TYR A 48 3.604 -12.316 -3.039 1.00 0.00 C ATOM 778 C TYR A 48 4.083 -13.610 -2.379 1.00 0.00 C ATOM 779 O TYR A 48 4.264 -14.623 -3.027 1.00 0.00 O ATOM 780 CB TYR A 48 2.364 -11.816 -2.307 1.00 0.00 C ATOM 781 CG TYR A 48 1.936 -10.481 -2.872 1.00 0.00 C ATOM 782 CD1 TYR A 48 1.262 -10.416 -4.098 1.00 0.00 C ATOM 783 CD2 TYR A 48 2.210 -9.306 -2.163 1.00 0.00 C ATOM 784 CE1 TYR A 48 0.863 -9.178 -4.612 1.00 0.00 C ATOM 785 CE2 TYR A 48 1.810 -8.069 -2.676 1.00 0.00 C ATOM 786 CZ TYR A 48 1.136 -8.004 -3.900 1.00 0.00 C ATOM 787 OH TYR A 48 0.736 -6.784 -4.400 1.00 0.00 O ATOM 0 H TYR A 48 2.278 -12.453 -4.703 1.00 0.00 H new ATOM 0 HA TYR A 48 4.395 -11.568 -2.989 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.555 -12.540 -2.408 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.574 -11.719 -1.242 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.050 -11.322 -4.647 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.731 -9.355 -1.218 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.344 -9.128 -5.558 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.021 -7.163 -2.127 1.00 0.00 H new ATOM 0 HH TYR A 48 0.131 -6.351 -3.762 1.00 0.00 H new ATOM 797 N THR A 49 4.280 -13.584 -1.090 1.00 0.00 N ATOM 798 CA THR A 49 4.734 -14.807 -0.373 1.00 0.00 C ATOM 799 C THR A 49 3.590 -15.822 -0.340 1.00 0.00 C ATOM 800 O THR A 49 2.430 -15.462 -0.309 1.00 0.00 O ATOM 801 CB THR A 49 5.137 -14.442 1.058 1.00 0.00 C ATOM 802 OG1 THR A 49 6.113 -13.411 1.026 1.00 0.00 O ATOM 803 CG2 THR A 49 5.715 -15.674 1.758 1.00 0.00 C ATOM 0 H THR A 49 4.145 -12.763 -0.500 1.00 0.00 H new ATOM 0 HA THR A 49 5.592 -15.238 -0.889 1.00 0.00 H new ATOM 0 HB THR A 49 4.260 -14.095 1.605 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.861 -12.703 1.655 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.002 -15.413 2.777 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.964 -16.464 1.783 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.592 -16.024 1.213 1.00 0.00 H new ATOM 811 N ASP A 50 3.904 -17.088 -0.359 1.00 0.00 N ATOM 812 CA ASP A 50 2.834 -18.121 -0.341 1.00 0.00 C ATOM 813 C ASP A 50 1.861 -17.844 0.808 1.00 0.00 C ATOM 814 O ASP A 50 0.668 -18.028 0.676 1.00 0.00 O ATOM 815 CB ASP A 50 3.471 -19.496 -0.150 1.00 0.00 C ATOM 816 CG ASP A 50 4.271 -19.868 -1.399 1.00 0.00 C ATOM 817 OD1 ASP A 50 4.128 -19.180 -2.397 1.00 0.00 O ATOM 818 OD2 ASP A 50 5.015 -20.833 -1.338 1.00 0.00 O ATOM 0 H ASP A 50 4.857 -17.451 -0.386 1.00 0.00 H new ATOM 0 HA ASP A 50 2.287 -18.094 -1.284 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.123 -19.488 0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.699 -20.243 0.036 1.00 0.00 H new ATOM 823 N ALA A 51 2.354 -17.402 1.933 1.00 0.00 N ATOM 824 CA ALA A 51 1.441 -17.119 3.077 1.00 0.00 C ATOM 825 C ALA A 51 0.490 -15.982 2.698 1.00 0.00 C ATOM 826 O ALA A 51 -0.714 -16.097 2.821 1.00 0.00 O ATOM 827 CB ALA A 51 2.267 -16.712 4.299 1.00 0.00 C ATOM 0 H ALA A 51 3.343 -17.226 2.109 1.00 0.00 H new ATOM 0 HA ALA A 51 0.862 -18.012 3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.600 -16.505 5.136 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.945 -17.523 4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.845 -15.818 4.066 1.00 0.00 H new ATOM 833 N ASN A 52 1.022 -14.889 2.225 1.00 0.00 N ATOM 834 CA ASN A 52 0.154 -13.748 1.823 1.00 0.00 C ATOM 835 C ASN A 52 -0.824 -14.208 0.744 1.00 0.00 C ATOM 836 O ASN A 52 -1.992 -13.876 0.762 1.00 0.00 O ATOM 837 CB ASN A 52 1.026 -12.621 1.263 1.00 0.00 C ATOM 838 CG ASN A 52 0.137 -11.463 0.811 1.00 0.00 C ATOM 839 OD1 ASN A 52 -1.071 -11.533 0.916 1.00 0.00 O ATOM 840 ND2 ASN A 52 0.686 -10.391 0.309 1.00 0.00 N ATOM 0 H ASN A 52 2.023 -14.737 2.099 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.400 -13.390 2.691 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.728 -12.279 2.023 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.618 -12.988 0.424 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.101 -9.613 0.005 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.700 -10.331 0.220 1.00 0.00 H new ATOM 847 N ILE A 53 -0.349 -14.970 -0.197 1.00 0.00 N ATOM 848 CA ILE A 53 -1.237 -15.457 -1.285 1.00 0.00 C ATOM 849 C ILE A 53 -2.307 -16.385 -0.710 1.00 0.00 C ATOM 850 O ILE A 53 -3.421 -16.430 -1.190 1.00 0.00 O ATOM 851 CB ILE A 53 -0.402 -16.199 -2.320 1.00 0.00 C ATOM 852 CG1 ILE A 53 0.616 -15.229 -2.926 1.00 0.00 C ATOM 853 CG2 ILE A 53 -1.314 -16.745 -3.420 1.00 0.00 C ATOM 854 CD1 ILE A 53 1.557 -15.992 -3.860 1.00 0.00 C ATOM 0 H ILE A 53 0.621 -15.278 -0.260 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.730 -14.609 -1.759 1.00 0.00 H new ATOM 0 HB ILE A 53 0.120 -17.030 -1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.101 -14.442 -3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.187 -14.744 -2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.714 -17.276 -4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.041 -17.430 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.837 -15.919 -3.902 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.281 -15.301 -4.291 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.082 -16.763 -3.297 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.979 -16.456 -4.659 1.00 0.00 H new ATOM 866 N LYS A 54 -1.984 -17.126 0.317 1.00 0.00 N ATOM 867 CA LYS A 54 -3.002 -18.038 0.907 1.00 0.00 C ATOM 868 C LYS A 54 -4.233 -17.216 1.288 1.00 0.00 C ATOM 869 O LYS A 54 -5.355 -17.591 1.013 1.00 0.00 O ATOM 870 CB LYS A 54 -2.428 -18.708 2.154 1.00 0.00 C ATOM 871 CG LYS A 54 -3.455 -19.686 2.723 1.00 0.00 C ATOM 872 CD LYS A 54 -2.906 -20.315 4.005 1.00 0.00 C ATOM 873 CE LYS A 54 -3.862 -21.407 4.488 1.00 0.00 C ATOM 874 NZ LYS A 54 -3.129 -22.351 5.379 1.00 0.00 N ATOM 0 H LYS A 54 -1.069 -17.139 0.768 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.276 -18.807 0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.507 -19.235 1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.174 -17.955 2.900 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.390 -19.167 2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.678 -20.462 1.991 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.918 -20.737 3.821 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.789 -19.553 4.775 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.700 -20.961 5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.278 -21.944 3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.779 -23.094 5.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.344 -22.786 4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.752 -21.833 6.199 1.00 0.00 H new ATOM 888 N LYS A 55 -4.025 -16.084 1.897 1.00 0.00 N ATOM 889 CA LYS A 55 -5.171 -15.214 2.274 1.00 0.00 C ATOM 890 C LYS A 55 -5.260 -14.077 1.256 1.00 0.00 C ATOM 891 O LYS A 55 -4.299 -13.370 1.027 1.00 0.00 O ATOM 892 CB LYS A 55 -4.939 -14.634 3.672 1.00 0.00 C ATOM 893 CG LYS A 55 -6.217 -13.950 4.161 1.00 0.00 C ATOM 894 CD LYS A 55 -5.967 -13.320 5.533 1.00 0.00 C ATOM 895 CE LYS A 55 -7.283 -12.779 6.093 1.00 0.00 C ATOM 896 NZ LYS A 55 -7.013 -11.554 6.898 1.00 0.00 N ATOM 0 H LYS A 55 -3.106 -15.722 2.151 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.096 -15.790 2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.651 -15.427 4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.117 -13.918 3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.528 -13.185 3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.028 -14.675 4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.547 -14.060 6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.237 -12.515 5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.970 -12.548 5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.766 -13.535 6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.391 -11.680 7.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.987 -11.390 6.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.473 -10.736 6.450 1.00 0.00 H new ATOM 910 N ASN A 56 -6.389 -13.901 0.626 1.00 0.00 N ATOM 911 CA ASN A 56 -6.497 -12.814 -0.386 1.00 0.00 C ATOM 912 C ASN A 56 -7.872 -12.147 -0.321 1.00 0.00 C ATOM 913 O ASN A 56 -8.882 -12.790 -0.113 1.00 0.00 O ATOM 914 CB ASN A 56 -6.279 -13.409 -1.776 1.00 0.00 C ATOM 915 CG ASN A 56 -7.489 -14.258 -2.168 1.00 0.00 C ATOM 916 OD1 ASN A 56 -8.271 -14.651 -1.326 1.00 0.00 O ATOM 917 ND2 ASN A 56 -7.679 -14.560 -3.424 1.00 0.00 N ATOM 0 H ASN A 56 -7.233 -14.457 0.766 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.740 -12.058 -0.178 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.131 -12.612 -2.504 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.376 -14.020 -1.783 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.483 -15.125 -3.697 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.023 -14.231 -4.133 1.00 0.00 H new ATOM 924 N VAL A 57 -7.910 -10.854 -0.503 1.00 0.00 N ATOM 925 CA VAL A 57 -9.206 -10.123 -0.461 1.00 0.00 C ATOM 926 C VAL A 57 -9.192 -8.995 -1.496 1.00 0.00 C ATOM 927 O VAL A 57 -8.201 -8.314 -1.664 1.00 0.00 O ATOM 928 CB VAL A 57 -9.407 -9.531 0.932 1.00 0.00 C ATOM 929 CG1 VAL A 57 -10.747 -8.796 0.990 1.00 0.00 C ATOM 930 CG2 VAL A 57 -9.396 -10.655 1.970 1.00 0.00 C ATOM 0 H VAL A 57 -7.092 -10.271 -0.680 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.020 -10.812 -0.687 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.601 -8.829 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.888 -8.374 1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.754 -7.994 0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.555 -9.495 0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.539 -10.233 2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.201 -11.357 1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.440 -11.176 1.932 1.00 0.00 H new ATOM 940 N LEU A 58 -10.283 -8.777 -2.180 1.00 0.00 N ATOM 941 CA LEU A 58 -10.311 -7.676 -3.183 1.00 0.00 C ATOM 942 C LEU A 58 -9.786 -6.409 -2.522 1.00 0.00 C ATOM 943 O LEU A 58 -10.000 -6.180 -1.348 1.00 0.00 O ATOM 944 CB LEU A 58 -11.743 -7.441 -3.662 1.00 0.00 C ATOM 945 CG LEU A 58 -11.767 -6.293 -4.680 1.00 0.00 C ATOM 946 CD1 LEU A 58 -11.014 -6.705 -5.947 1.00 0.00 C ATOM 947 CD2 LEU A 58 -13.218 -5.964 -5.038 1.00 0.00 C ATOM 0 H LEU A 58 -11.148 -9.309 -2.089 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.692 -7.942 -4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.139 -8.350 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.385 -7.202 -2.815 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.286 -5.417 -4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.035 -5.886 -6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.980 -6.941 -5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.490 -7.583 -6.384 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.238 -5.149 -5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.695 -6.844 -5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.756 -5.665 -4.138 1.00 0.00 H new ATOM 959 N TRP A 59 -9.093 -5.587 -3.259 1.00 0.00 N ATOM 960 CA TRP A 59 -8.549 -4.345 -2.660 1.00 0.00 C ATOM 961 C TRP A 59 -9.392 -3.135 -3.059 1.00 0.00 C ATOM 962 O TRP A 59 -9.911 -3.049 -4.154 1.00 0.00 O ATOM 963 CB TRP A 59 -7.108 -4.150 -3.121 1.00 0.00 C ATOM 964 CG TRP A 59 -6.204 -4.980 -2.270 1.00 0.00 C ATOM 965 CD1 TRP A 59 -5.367 -5.939 -2.728 1.00 0.00 C ATOM 966 CD2 TRP A 59 -6.042 -4.950 -0.821 1.00 0.00 C ATOM 967 NE1 TRP A 59 -4.689 -6.487 -1.653 1.00 0.00 N ATOM 968 CE2 TRP A 59 -5.074 -5.914 -0.459 1.00 0.00 C ATOM 969 CE3 TRP A 59 -6.631 -4.186 0.205 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -4.704 -6.113 0.867 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -6.260 -4.388 1.544 1.00 0.00 C ATOM 972 CH2 TRP A 59 -5.297 -5.350 1.874 1.00 0.00 C ATOM 0 H TRP A 59 -8.882 -5.724 -4.247 1.00 0.00 H new ATOM 0 HA TRP A 59 -8.578 -4.437 -1.574 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.006 -4.437 -4.168 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.830 -3.098 -3.050 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.248 -6.229 -3.761 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.990 -7.225 -1.734 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.373 -3.440 -0.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.960 -6.855 1.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -6.720 -3.799 2.324 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -5.014 -5.501 2.905 1.00 0.00 H new ATOM 983 N ASP A 60 -9.518 -2.196 -2.163 1.00 0.00 N ATOM 984 CA ASP A 60 -10.311 -0.970 -2.446 1.00 0.00 C ATOM 985 C ASP A 60 -9.702 0.183 -1.645 1.00 0.00 C ATOM 986 O ASP A 60 -8.936 -0.033 -0.728 1.00 0.00 O ATOM 987 CB ASP A 60 -11.764 -1.189 -2.013 1.00 0.00 C ATOM 988 CG ASP A 60 -12.644 -0.084 -2.599 1.00 0.00 C ATOM 989 OD1 ASP A 60 -12.186 0.594 -3.503 1.00 0.00 O ATOM 990 OD2 ASP A 60 -13.761 0.066 -2.132 1.00 0.00 O ATOM 0 H ASP A 60 -9.099 -2.228 -1.234 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.292 -0.741 -3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.113 -2.164 -2.353 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.835 -1.186 -0.925 1.00 0.00 H new ATOM 995 N GLU A 61 -10.019 1.401 -1.978 1.00 0.00 N ATOM 996 CA GLU A 61 -9.429 2.537 -1.217 1.00 0.00 C ATOM 997 C GLU A 61 -9.771 2.391 0.266 1.00 0.00 C ATOM 998 O GLU A 61 -8.964 2.679 1.129 1.00 0.00 O ATOM 999 CB GLU A 61 -9.992 3.859 -1.743 1.00 0.00 C ATOM 1000 CG GLU A 61 -9.561 4.055 -3.200 1.00 0.00 C ATOM 1001 CD GLU A 61 -10.535 3.332 -4.135 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -11.510 2.790 -3.645 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -10.286 3.333 -5.330 1.00 0.00 O ATOM 0 H GLU A 61 -10.653 1.659 -2.734 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.346 2.531 -1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.080 3.857 -1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.634 4.688 -1.132 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.534 5.118 -3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.552 3.670 -3.344 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.957 1.948 0.572 1.00 0.00 N ATOM 1011 CA ASN A 62 -11.343 1.784 2.001 1.00 0.00 C ATOM 1012 C ASN A 62 -10.643 0.559 2.601 1.00 0.00 C ATOM 1013 O ASN A 62 -10.126 0.605 3.699 1.00 0.00 O ATOM 1014 CB ASN A 62 -12.859 1.599 2.099 1.00 0.00 C ATOM 1015 CG ASN A 62 -13.562 2.867 1.611 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -12.958 3.919 1.536 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -14.820 2.813 1.273 1.00 0.00 N ATOM 0 H ASN A 62 -11.676 1.692 -0.105 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.041 2.673 2.555 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.171 0.744 1.499 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.144 1.386 3.129 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.297 3.653 0.946 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.327 1.930 1.336 1.00 0.00 H new ATOM 1024 N ASN A 63 -10.633 -0.539 1.893 1.00 0.00 N ATOM 1025 CA ASN A 63 -9.981 -1.768 2.428 1.00 0.00 C ATOM 1026 C ASN A 63 -8.474 -1.548 2.585 1.00 0.00 C ATOM 1027 O ASN A 63 -7.879 -1.937 3.572 1.00 0.00 O ATOM 1028 CB ASN A 63 -10.228 -2.925 1.460 1.00 0.00 C ATOM 1029 CG ASN A 63 -11.725 -3.239 1.409 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -12.471 -2.838 2.280 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -12.196 -3.945 0.418 1.00 0.00 N ATOM 0 H ASN A 63 -11.049 -0.637 0.967 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.404 -2.000 3.405 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.867 -2.664 0.465 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.672 -3.806 1.780 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.192 -4.161 0.374 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.568 -4.281 -0.312 1.00 0.00 H new ATOM 1038 N MET A 64 -7.850 -0.934 1.621 1.00 0.00 N ATOM 1039 CA MET A 64 -6.387 -0.700 1.719 1.00 0.00 C ATOM 1040 C MET A 64 -6.083 0.197 2.918 1.00 0.00 C ATOM 1041 O MET A 64 -5.064 0.056 3.563 1.00 0.00 O ATOM 1042 CB MET A 64 -5.882 -0.046 0.432 1.00 0.00 C ATOM 1043 CG MET A 64 -5.950 -1.060 -0.709 1.00 0.00 C ATOM 1044 SD MET A 64 -4.979 -0.461 -2.111 1.00 0.00 S ATOM 1045 CE MET A 64 -3.338 -0.821 -1.427 1.00 0.00 C ATOM 0 H MET A 64 -8.291 -0.585 0.770 1.00 0.00 H new ATOM 0 HA MET A 64 -5.879 -1.655 1.856 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.487 0.829 0.193 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.857 0.302 0.565 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.568 -2.025 -0.375 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.986 -1.214 -1.011 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.673 -1.145 -2.228 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.933 0.077 -0.960 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.420 -1.612 -0.681 1.00 0.00 H new ATOM 1055 N SER A 65 -6.955 1.116 3.229 1.00 0.00 N ATOM 1056 CA SER A 65 -6.694 2.010 4.392 1.00 0.00 C ATOM 1057 C SER A 65 -6.419 1.153 5.628 1.00 0.00 C ATOM 1058 O SER A 65 -5.543 1.450 6.419 1.00 0.00 O ATOM 1059 CB SER A 65 -7.919 2.891 4.642 1.00 0.00 C ATOM 1060 OG SER A 65 -8.253 3.582 3.446 1.00 0.00 O ATOM 0 H SER A 65 -7.830 1.286 2.733 1.00 0.00 H new ATOM 0 HA SER A 65 -5.831 2.643 4.185 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.760 2.280 4.969 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.712 3.603 5.441 1.00 0.00 H new ATOM 0 HG SER A 65 -8.701 2.968 2.828 1.00 0.00 H new ATOM 1066 N GLU A 66 -7.147 0.083 5.795 1.00 0.00 N ATOM 1067 CA GLU A 66 -6.908 -0.792 6.974 1.00 0.00 C ATOM 1068 C GLU A 66 -5.514 -1.409 6.861 1.00 0.00 C ATOM 1069 O GLU A 66 -4.803 -1.549 7.836 1.00 0.00 O ATOM 1070 CB GLU A 66 -7.957 -1.907 7.008 1.00 0.00 C ATOM 1071 CG GLU A 66 -9.344 -1.301 7.234 1.00 0.00 C ATOM 1072 CD GLU A 66 -10.381 -2.421 7.327 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -10.025 -3.556 7.054 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -11.514 -2.125 7.669 1.00 0.00 O ATOM 0 H GLU A 66 -7.893 -0.221 5.169 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.980 -0.203 7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.941 -2.464 6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.724 -2.615 7.804 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.349 -0.709 8.149 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.595 -0.625 6.416 1.00 0.00 H new ATOM 1081 N TYR A 67 -5.119 -1.780 5.673 1.00 0.00 N ATOM 1082 CA TYR A 67 -3.770 -2.388 5.493 1.00 0.00 C ATOM 1083 C TYR A 67 -2.687 -1.360 5.818 1.00 0.00 C ATOM 1084 O TYR A 67 -1.706 -1.664 6.461 1.00 0.00 O ATOM 1085 CB TYR A 67 -3.600 -2.851 4.048 1.00 0.00 C ATOM 1086 CG TYR A 67 -2.277 -3.569 3.912 1.00 0.00 C ATOM 1087 CD1 TYR A 67 -2.201 -4.950 4.136 1.00 0.00 C ATOM 1088 CD2 TYR A 67 -1.125 -2.850 3.573 1.00 0.00 C ATOM 1089 CE1 TYR A 67 -0.971 -5.611 4.018 1.00 0.00 C ATOM 1090 CE2 TYR A 67 0.103 -3.511 3.454 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.180 -4.891 3.677 1.00 0.00 C ATOM 1092 OH TYR A 67 1.390 -5.541 3.558 1.00 0.00 O ATOM 0 H TYR A 67 -5.672 -1.688 4.821 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.677 -3.241 6.165 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.418 -3.514 3.767 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.635 -1.996 3.372 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.090 -5.505 4.399 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.184 -1.785 3.403 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.911 -6.676 4.190 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.991 -2.956 3.190 1.00 0.00 H new ATOM 0 HH TYR A 67 1.508 -6.153 4.314 1.00 0.00 H new ATOM 1102 N LEU A 68 -2.848 -0.144 5.368 1.00 0.00 N ATOM 1103 CA LEU A 68 -1.818 0.893 5.640 1.00 0.00 C ATOM 1104 C LEU A 68 -1.553 0.989 7.143 1.00 0.00 C ATOM 1105 O LEU A 68 -0.445 1.240 7.568 1.00 0.00 O ATOM 1106 CB LEU A 68 -2.310 2.244 5.122 1.00 0.00 C ATOM 1107 CG LEU A 68 -2.511 2.180 3.604 1.00 0.00 C ATOM 1108 CD1 LEU A 68 -2.973 3.545 3.093 1.00 0.00 C ATOM 1109 CD2 LEU A 68 -1.189 1.811 2.926 1.00 0.00 C ATOM 0 H LEU A 68 -3.650 0.173 4.824 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.893 0.619 5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.247 2.511 5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.588 3.023 5.369 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.264 1.426 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.116 3.500 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.914 3.814 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.219 4.296 3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.334 1.766 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.437 2.565 3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.853 0.839 3.288 1.00 0.00 H new ATOM 1121 N THR A 69 -2.552 0.787 7.954 1.00 0.00 N ATOM 1122 CA THR A 69 -2.332 0.870 9.422 1.00 0.00 C ATOM 1123 C THR A 69 -1.219 -0.105 9.812 1.00 0.00 C ATOM 1124 O THR A 69 -0.662 -0.032 10.889 1.00 0.00 O ATOM 1125 CB THR A 69 -3.624 0.494 10.147 1.00 0.00 C ATOM 1126 OG1 THR A 69 -3.928 -0.870 9.897 1.00 0.00 O ATOM 1127 CG2 THR A 69 -4.768 1.375 9.643 1.00 0.00 C ATOM 0 H THR A 69 -3.506 0.569 7.666 1.00 0.00 H new ATOM 0 HA THR A 69 -2.045 1.884 9.701 1.00 0.00 H new ATOM 0 HB THR A 69 -3.496 0.646 11.219 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.957 -1.027 8.930 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.689 1.106 10.160 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.534 2.422 9.838 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.897 1.226 8.571 1.00 0.00 H new ATOM 1135 N ASN A 70 -0.887 -1.013 8.935 1.00 0.00 N ATOM 1136 CA ASN A 70 0.193 -1.992 9.238 1.00 0.00 C ATOM 1137 C ASN A 70 0.742 -2.547 7.922 1.00 0.00 C ATOM 1138 O ASN A 70 0.503 -2.002 6.864 1.00 0.00 O ATOM 1139 CB ASN A 70 -0.370 -3.137 10.083 1.00 0.00 C ATOM 1140 CG ASN A 70 0.782 -3.896 10.744 1.00 0.00 C ATOM 1141 OD1 ASN A 70 1.006 -5.138 10.411 1.00 0.00 O flip ATOM 1142 ND2 ASN A 70 1.486 -3.353 11.571 1.00 0.00 N flip ATOM 0 H ASN A 70 -1.320 -1.118 8.018 1.00 0.00 H new ATOM 0 HA ASN A 70 0.991 -1.499 9.794 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -1.045 -2.744 10.844 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.953 -3.813 9.457 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.311 -2.382 11.831 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.252 -3.867 12.005 1.00 0.00 H new ATOM 1149 N HIS A 71 1.473 -3.626 7.977 1.00 0.00 N ATOM 1150 CA HIS A 71 2.026 -4.218 6.724 1.00 0.00 C ATOM 1151 C HIS A 71 1.583 -5.673 6.614 1.00 0.00 C ATOM 1152 O HIS A 71 1.881 -6.351 5.653 1.00 0.00 O ATOM 1153 CB HIS A 71 3.552 -4.161 6.751 1.00 0.00 C ATOM 1154 CG HIS A 71 4.037 -3.310 5.613 1.00 0.00 C ATOM 1155 ND1 HIS A 71 4.267 -1.949 5.758 1.00 0.00 N ATOM 1156 CD2 HIS A 71 4.335 -3.606 4.301 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.684 -1.479 4.570 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.740 -2.447 3.656 1.00 0.00 N ATOM 0 H HIS A 71 1.712 -4.124 8.835 1.00 0.00 H new ATOM 0 HA HIS A 71 1.658 -3.652 5.869 1.00 0.00 H new ATOM 0 HB2 HIS A 71 3.895 -3.749 7.700 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.966 -5.166 6.671 1.00 0.00 H new ATOM 0 HD1 HIS A 71 4.142 -1.404 6.611 1.00 0.00 H new ATOM 0 HD2 HIS A 71 4.265 -4.584 3.848 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.941 -0.447 4.380 1.00 0.00 H new ATOM 1166 N ALA A 72 0.880 -6.164 7.594 1.00 0.00 N ATOM 1167 CA ALA A 72 0.431 -7.580 7.539 1.00 0.00 C ATOM 1168 C ALA A 72 -0.521 -7.865 8.701 1.00 0.00 C ATOM 1169 O ALA A 72 -0.900 -8.995 8.939 1.00 0.00 O ATOM 1170 CB ALA A 72 1.653 -8.492 7.643 1.00 0.00 C ATOM 0 H ALA A 72 0.598 -5.648 8.427 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.089 -7.764 6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.334 -9.534 7.604 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.331 -8.288 6.814 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.167 -8.305 8.586 1.00 0.00 H new ATOM 1176 N LYS A 73 -0.918 -6.854 9.424 1.00 0.00 N ATOM 1177 CA LYS A 73 -1.851 -7.086 10.560 1.00 0.00 C ATOM 1178 C LYS A 73 -3.129 -7.722 10.016 1.00 0.00 C ATOM 1179 O LYS A 73 -3.617 -8.706 10.534 1.00 0.00 O ATOM 1180 CB LYS A 73 -2.185 -5.753 11.232 1.00 0.00 C ATOM 1181 CG LYS A 73 -3.023 -6.008 12.487 1.00 0.00 C ATOM 1182 CD LYS A 73 -3.407 -4.672 13.125 1.00 0.00 C ATOM 1183 CE LYS A 73 -4.096 -4.925 14.466 1.00 0.00 C ATOM 1184 NZ LYS A 73 -5.463 -5.469 14.227 1.00 0.00 N ATOM 0 H LYS A 73 -0.638 -5.884 9.278 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.389 -7.746 11.294 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.268 -5.227 11.496 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.732 -5.112 10.541 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.920 -6.571 12.230 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.459 -6.613 13.197 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.518 -4.058 13.271 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.071 -4.118 12.462 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.512 -5.628 15.060 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.156 -3.998 15.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.975 -5.530 15.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.978 -4.840 13.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.391 -6.417 13.806 1.00 0.00 H new ATOM 1198 N TYR A 74 -3.658 -7.175 8.958 1.00 0.00 N ATOM 1199 CA TYR A 74 -4.887 -7.755 8.355 1.00 0.00 C ATOM 1200 C TYR A 74 -4.502 -9.071 7.674 1.00 0.00 C ATOM 1201 O TYR A 74 -5.277 -10.004 7.600 1.00 0.00 O ATOM 1202 CB TYR A 74 -5.457 -6.782 7.320 1.00 0.00 C ATOM 1203 CG TYR A 74 -6.912 -7.099 7.066 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -7.271 -8.011 6.067 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -7.904 -6.471 7.829 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -8.622 -8.296 5.832 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -9.254 -6.755 7.595 1.00 0.00 C ATOM 1208 CZ TYR A 74 -9.613 -7.668 6.596 1.00 0.00 C ATOM 1209 OH TYR A 74 -10.944 -7.949 6.365 1.00 0.00 O ATOM 0 H TYR A 74 -3.291 -6.350 8.485 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.642 -7.933 9.121 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.356 -5.757 7.677 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.892 -6.853 6.391 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.506 -8.495 5.477 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.627 -5.766 8.599 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.899 -9.000 5.061 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -10.018 -6.270 8.184 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.500 -7.429 6.982 1.00 0.00 H new ATOM 1219 N ILE A 75 -3.292 -9.137 7.179 1.00 0.00 N ATOM 1220 CA ILE A 75 -2.814 -10.374 6.496 1.00 0.00 C ATOM 1221 C ILE A 75 -1.512 -10.839 7.161 1.00 0.00 C ATOM 1222 O ILE A 75 -0.432 -10.628 6.647 1.00 0.00 O ATOM 1223 CB ILE A 75 -2.553 -10.069 5.014 1.00 0.00 C ATOM 1224 CG1 ILE A 75 -3.436 -8.901 4.567 1.00 0.00 C ATOM 1225 CG2 ILE A 75 -2.877 -11.305 4.171 1.00 0.00 C ATOM 1226 CD1 ILE A 75 -3.189 -8.610 3.085 1.00 0.00 C ATOM 0 H ILE A 75 -2.610 -8.379 7.220 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.568 -11.157 6.576 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.504 -9.803 4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.486 -9.142 4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.216 -8.016 5.164 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.691 -11.087 3.119 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.246 -12.136 4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.925 -11.573 4.306 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.818 -7.778 2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.141 -8.350 2.935 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.432 -9.494 2.495 1.00 0.00 H new ATOM 1238 N PRO A 76 -1.612 -11.462 8.302 1.00 0.00 N ATOM 1239 CA PRO A 76 -0.419 -11.953 9.049 1.00 0.00 C ATOM 1240 C PRO A 76 0.505 -12.787 8.162 1.00 0.00 C ATOM 1241 O PRO A 76 1.711 -12.764 8.313 1.00 0.00 O ATOM 1242 CB PRO A 76 -1.011 -12.811 10.170 1.00 0.00 C ATOM 1243 CG PRO A 76 -2.411 -12.324 10.353 1.00 0.00 C ATOM 1244 CD PRO A 76 -2.868 -11.765 9.004 1.00 0.00 C ATOM 0 HA PRO A 76 0.196 -11.132 9.418 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.995 -13.868 9.904 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.436 -12.705 11.090 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.063 -13.136 10.675 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -2.454 -11.555 11.124 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.468 -12.490 8.454 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.481 -10.873 9.129 1.00 0.00 H new ATOM 1252 N GLY A 77 -0.045 -13.505 7.227 1.00 0.00 N ATOM 1253 CA GLY A 77 0.813 -14.316 6.324 1.00 0.00 C ATOM 1254 C GLY A 77 1.794 -13.382 5.618 1.00 0.00 C ATOM 1255 O GLY A 77 2.851 -13.785 5.176 1.00 0.00 O ATOM 0 H GLY A 77 -1.048 -13.566 7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.353 -15.072 6.893 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.201 -14.844 5.593 1.00 0.00 H new ATOM 1259 N THR A 78 1.441 -12.129 5.505 1.00 0.00 N ATOM 1260 CA THR A 78 2.337 -11.155 4.824 1.00 0.00 C ATOM 1261 C THR A 78 3.491 -10.756 5.750 1.00 0.00 C ATOM 1262 O THR A 78 3.337 -10.655 6.951 1.00 0.00 O ATOM 1263 CB THR A 78 1.532 -9.917 4.422 1.00 0.00 C ATOM 1264 OG1 THR A 78 0.444 -10.310 3.596 1.00 0.00 O ATOM 1265 CG2 THR A 78 2.431 -8.947 3.657 1.00 0.00 C ATOM 0 H THR A 78 0.567 -11.739 5.857 1.00 0.00 H new ATOM 0 HA THR A 78 2.756 -11.619 3.931 1.00 0.00 H new ATOM 0 HB THR A 78 1.151 -9.425 5.317 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.023 -9.514 3.209 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.856 -8.066 3.372 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.265 -8.646 4.291 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.815 -9.436 2.761 1.00 0.00 H new ATOM 1273 N LYS A 79 4.651 -10.542 5.188 1.00 0.00 N ATOM 1274 CA LYS A 79 5.841 -10.163 6.007 1.00 0.00 C ATOM 1275 C LYS A 79 5.690 -8.718 6.500 1.00 0.00 C ATOM 1276 O LYS A 79 4.874 -7.966 6.004 1.00 0.00 O ATOM 1277 CB LYS A 79 7.091 -10.252 5.132 1.00 0.00 C ATOM 1278 CG LYS A 79 7.149 -11.617 4.442 1.00 0.00 C ATOM 1279 CD LYS A 79 8.411 -11.696 3.578 1.00 0.00 C ATOM 1280 CE LYS A 79 8.333 -12.919 2.661 1.00 0.00 C ATOM 1281 NZ LYS A 79 9.557 -13.751 2.836 1.00 0.00 N ATOM 0 H LYS A 79 4.827 -10.614 4.186 1.00 0.00 H new ATOM 0 HA LYS A 79 5.924 -10.836 6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.080 -9.458 4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.983 -10.105 5.741 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.154 -12.413 5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.262 -11.763 3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.513 -10.789 2.982 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.295 -11.761 4.213 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.445 -13.506 2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.241 -12.602 1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.504 -14.582 2.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.397 -13.188 2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.625 -14.064 3.825 1.00 0.00 H new ATOM 1295 N MET A 80 6.479 -8.326 7.468 1.00 0.00 N ATOM 1296 CA MET A 80 6.396 -6.928 7.991 1.00 0.00 C ATOM 1297 C MET A 80 7.782 -6.278 7.938 1.00 0.00 C ATOM 1298 O MET A 80 8.792 -6.951 7.985 1.00 0.00 O ATOM 1299 CB MET A 80 5.902 -6.953 9.439 1.00 0.00 C ATOM 1300 CG MET A 80 4.457 -7.453 9.476 1.00 0.00 C ATOM 1301 SD MET A 80 3.815 -7.319 11.162 1.00 0.00 S ATOM 1302 CE MET A 80 5.034 -8.396 11.955 1.00 0.00 C ATOM 0 H MET A 80 7.179 -8.915 7.920 1.00 0.00 H new ATOM 0 HA MET A 80 5.701 -6.353 7.379 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.538 -7.602 10.040 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.964 -5.955 9.873 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.841 -6.868 8.793 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.411 -8.489 9.139 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.604 -8.830 12.858 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.316 -9.194 11.268 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.917 -7.814 12.218 1.00 0.00 H new ATOM 1312 N ALA A 81 7.842 -4.973 7.843 1.00 0.00 N ATOM 1313 CA ALA A 81 9.173 -4.299 7.790 1.00 0.00 C ATOM 1314 C ALA A 81 9.006 -2.776 7.710 1.00 0.00 C ATOM 1315 O ALA A 81 9.900 -2.075 7.279 1.00 0.00 O ATOM 1316 CB ALA A 81 9.937 -4.789 6.558 1.00 0.00 C ATOM 0 H ALA A 81 7.035 -4.351 7.800 1.00 0.00 H new ATOM 0 HA ALA A 81 9.726 -4.543 8.697 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.910 -4.300 6.515 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.076 -5.868 6.622 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.370 -4.549 5.659 1.00 0.00 H new ATOM 1322 N PHE A 82 7.881 -2.251 8.128 1.00 0.00 N ATOM 1323 CA PHE A 82 7.683 -0.770 8.078 1.00 0.00 C ATOM 1324 C PHE A 82 7.749 -0.199 9.499 1.00 0.00 C ATOM 1325 O PHE A 82 7.333 -0.831 10.450 1.00 0.00 O ATOM 1326 CB PHE A 82 6.325 -0.439 7.455 1.00 0.00 C ATOM 1327 CG PHE A 82 6.217 1.055 7.289 1.00 0.00 C ATOM 1328 CD1 PHE A 82 6.859 1.689 6.217 1.00 0.00 C ATOM 1329 CD2 PHE A 82 5.491 1.808 8.214 1.00 0.00 C ATOM 1330 CE1 PHE A 82 6.769 3.077 6.071 1.00 0.00 C ATOM 1331 CE2 PHE A 82 5.404 3.197 8.070 1.00 0.00 C ATOM 1332 CZ PHE A 82 6.042 3.831 6.998 1.00 0.00 C ATOM 0 H PHE A 82 7.094 -2.782 8.500 1.00 0.00 H new ATOM 0 HA PHE A 82 8.469 -0.326 7.467 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.222 -0.934 6.489 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.519 -0.807 8.090 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.423 1.106 5.504 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.997 1.318 9.040 1.00 0.00 H new ATOM 0 HE1 PHE A 82 7.260 3.566 5.243 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.844 3.780 8.786 1.00 0.00 H new ATOM 0 HZ PHE A 82 5.973 4.903 6.886 1.00 0.00 H new ATOM 1342 N GLY A 83 8.280 0.986 9.653 1.00 0.00 N ATOM 1343 CA GLY A 83 8.387 1.591 11.014 1.00 0.00 C ATOM 1344 C GLY A 83 7.015 1.618 11.697 1.00 0.00 C ATOM 1345 O GLY A 83 6.881 1.256 12.849 1.00 0.00 O ATOM 0 H GLY A 83 8.645 1.562 8.894 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.090 1.019 11.619 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.783 2.604 10.938 1.00 0.00 H new ATOM 1349 N GLY A 84 5.992 2.036 11.000 1.00 0.00 N ATOM 1350 CA GLY A 84 4.636 2.073 11.626 1.00 0.00 C ATOM 1351 C GLY A 84 3.814 3.228 11.042 1.00 0.00 C ATOM 1352 O GLY A 84 3.877 4.347 11.510 1.00 0.00 O ATOM 0 H GLY A 84 6.034 2.352 10.031 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.122 1.128 11.453 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.729 2.193 12.705 1.00 0.00 H new ATOM 1356 N LEU A 85 3.038 2.961 10.025 1.00 0.00 N ATOM 1357 CA LEU A 85 2.203 4.031 9.410 1.00 0.00 C ATOM 1358 C LEU A 85 0.958 4.248 10.271 1.00 0.00 C ATOM 1359 O LEU A 85 -0.043 4.766 9.817 1.00 0.00 O ATOM 1360 CB LEU A 85 1.784 3.593 8.005 1.00 0.00 C ATOM 1361 CG LEU A 85 1.593 4.821 7.111 1.00 0.00 C ATOM 1362 CD1 LEU A 85 2.932 5.524 6.907 1.00 0.00 C ATOM 1363 CD2 LEU A 85 1.051 4.380 5.752 1.00 0.00 C ATOM 0 H LEU A 85 2.947 2.042 9.592 1.00 0.00 H new ATOM 0 HA LEU A 85 2.771 4.959 9.348 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.542 2.936 7.578 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.858 3.021 8.054 1.00 0.00 H new ATOM 0 HG LEU A 85 0.890 5.505 7.587 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.791 6.397 6.270 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.328 5.839 7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.634 4.839 6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.914 5.253 5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.758 3.695 5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.094 3.877 5.888 1.00 0.00 H new ATOM 1375 N LYS A 86 1.013 3.847 11.512 1.00 0.00 N ATOM 1376 CA LYS A 86 -0.165 4.018 12.407 1.00 0.00 C ATOM 1377 C LYS A 86 -0.632 5.474 12.366 1.00 0.00 C ATOM 1378 O LYS A 86 -1.801 5.763 12.527 1.00 0.00 O ATOM 1379 CB LYS A 86 0.225 3.649 13.839 1.00 0.00 C ATOM 1380 CG LYS A 86 -1.013 3.699 14.735 1.00 0.00 C ATOM 1381 CD LYS A 86 -0.612 3.392 16.180 1.00 0.00 C ATOM 1382 CE LYS A 86 -1.864 3.325 17.058 1.00 0.00 C ATOM 1383 NZ LYS A 86 -1.647 2.346 18.159 1.00 0.00 N ATOM 0 H LYS A 86 1.825 3.407 11.945 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.973 3.368 12.070 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.663 2.651 13.862 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.983 4.339 14.210 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.477 4.683 14.677 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.753 2.977 14.391 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.073 2.446 16.225 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.064 4.162 16.552 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.085 4.309 17.471 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.726 3.030 16.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.498 2.300 18.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.456 1.407 17.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.835 2.646 18.736 1.00 0.00 H new ATOM 1397 N LYS A 87 0.267 6.394 12.151 1.00 0.00 N ATOM 1398 CA LYS A 87 -0.141 7.824 12.102 1.00 0.00 C ATOM 1399 C LYS A 87 -1.164 8.018 10.980 1.00 0.00 C ATOM 1400 O LYS A 87 -0.909 7.709 9.833 1.00 0.00 O ATOM 1401 CB LYS A 87 1.087 8.697 11.830 1.00 0.00 C ATOM 1402 CG LYS A 87 2.068 8.577 12.998 1.00 0.00 C ATOM 1403 CD LYS A 87 3.239 9.538 12.782 1.00 0.00 C ATOM 1404 CE LYS A 87 4.279 9.333 13.886 1.00 0.00 C ATOM 1405 NZ LYS A 87 4.738 10.658 14.387 1.00 0.00 N ATOM 0 H LYS A 87 1.261 6.218 12.008 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.584 8.111 13.056 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.569 8.386 10.903 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.786 9.736 11.700 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.563 8.807 13.936 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.434 7.553 13.076 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.691 9.364 11.805 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.884 10.568 12.789 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.849 8.753 14.702 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.126 8.764 13.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.445 10.520 15.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.164 11.196 13.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.927 11.185 14.769 1.00 0.00 H new ATOM 1419 N GLU A 88 -2.322 8.520 11.308 1.00 0.00 N ATOM 1420 CA GLU A 88 -3.369 8.731 10.269 1.00 0.00 C ATOM 1421 C GLU A 88 -2.895 9.771 9.253 1.00 0.00 C ATOM 1422 O GLU A 88 -3.278 9.745 8.101 1.00 0.00 O ATOM 1423 CB GLU A 88 -4.654 9.220 10.936 1.00 0.00 C ATOM 1424 CG GLU A 88 -5.200 8.128 11.858 1.00 0.00 C ATOM 1425 CD GLU A 88 -6.521 8.594 12.473 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -6.854 9.755 12.305 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -7.177 7.781 13.103 1.00 0.00 O ATOM 0 H GLU A 88 -2.589 8.794 12.253 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.557 7.789 9.754 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.457 10.127 11.507 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.395 9.475 10.178 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.353 7.206 11.297 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.478 7.907 12.644 1.00 0.00 H new ATOM 1434 N LYS A 89 -2.077 10.696 9.672 1.00 0.00 N ATOM 1435 CA LYS A 89 -1.596 11.745 8.729 1.00 0.00 C ATOM 1436 C LYS A 89 -0.942 11.090 7.516 1.00 0.00 C ATOM 1437 O LYS A 89 -1.267 11.390 6.385 1.00 0.00 O ATOM 1438 CB LYS A 89 -0.561 12.618 9.437 1.00 0.00 C ATOM 1439 CG LYS A 89 -0.220 13.823 8.558 1.00 0.00 C ATOM 1440 CD LYS A 89 0.866 14.661 9.238 1.00 0.00 C ATOM 1441 CE LYS A 89 1.104 15.939 8.432 1.00 0.00 C ATOM 1442 NZ LYS A 89 2.508 15.956 7.933 1.00 0.00 N ATOM 0 H LYS A 89 -1.721 10.771 10.625 1.00 0.00 H new ATOM 0 HA LYS A 89 -2.441 12.351 8.404 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.950 12.954 10.398 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.339 12.039 9.643 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.124 13.487 7.580 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.111 14.429 8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.564 14.911 10.255 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.790 14.087 9.312 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.408 15.989 7.594 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.917 16.814 9.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.671 16.825 7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.164 15.928 8.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.671 15.128 7.326 1.00 0.00 H new ATOM 1456 N ASP A 90 -0.019 10.201 7.742 1.00 0.00 N ATOM 1457 CA ASP A 90 0.658 9.530 6.601 1.00 0.00 C ATOM 1458 C ASP A 90 -0.353 8.680 5.831 1.00 0.00 C ATOM 1459 O ASP A 90 -0.431 8.734 4.620 1.00 0.00 O ATOM 1460 CB ASP A 90 1.770 8.628 7.134 1.00 0.00 C ATOM 1461 CG ASP A 90 2.835 9.480 7.825 1.00 0.00 C ATOM 1462 OD1 ASP A 90 2.829 10.683 7.620 1.00 0.00 O ATOM 1463 OD2 ASP A 90 3.637 8.916 8.551 1.00 0.00 O ATOM 0 H ASP A 90 0.296 9.910 8.667 1.00 0.00 H new ATOM 0 HA ASP A 90 1.080 10.284 5.936 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.359 7.903 7.836 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.217 8.062 6.316 1.00 0.00 H new ATOM 1468 N ARG A 91 -1.121 7.888 6.527 1.00 0.00 N ATOM 1469 CA ARG A 91 -2.122 7.026 5.837 1.00 0.00 C ATOM 1470 C ARG A 91 -3.110 7.881 5.041 1.00 0.00 C ATOM 1471 O ARG A 91 -3.429 7.580 3.908 1.00 0.00 O ATOM 1472 CB ARG A 91 -2.888 6.209 6.877 1.00 0.00 C ATOM 1473 CG ARG A 91 -3.928 5.339 6.171 1.00 0.00 C ATOM 1474 CD ARG A 91 -4.608 4.425 7.191 1.00 0.00 C ATOM 1475 NE ARG A 91 -5.452 5.243 8.106 1.00 0.00 N ATOM 1476 CZ ARG A 91 -6.466 4.698 8.720 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -6.741 3.436 8.532 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -7.206 5.414 9.522 1.00 0.00 N ATOM 0 H ARG A 91 -1.099 7.800 7.543 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.598 6.362 5.150 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.199 5.584 7.444 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.376 6.873 7.590 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.670 5.968 5.679 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.451 4.742 5.394 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.221 3.684 6.679 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.858 3.878 7.762 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.237 6.229 8.253 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.163 2.876 7.905 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.534 3.010 9.012 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.992 6.400 9.669 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.999 4.987 10.002 1.00 0.00 H new ATOM 1492 N ASN A 92 -3.607 8.937 5.622 1.00 0.00 N ATOM 1493 CA ASN A 92 -4.582 9.792 4.893 1.00 0.00 C ATOM 1494 C ASN A 92 -3.914 10.432 3.676 1.00 0.00 C ATOM 1495 O ASN A 92 -4.469 10.467 2.596 1.00 0.00 O ATOM 1496 CB ASN A 92 -5.092 10.889 5.827 1.00 0.00 C ATOM 1497 CG ASN A 92 -5.952 10.267 6.927 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -6.211 9.080 6.916 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -6.423 11.030 7.876 1.00 0.00 N ATOM 0 H ASN A 92 -3.380 9.244 6.568 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.416 9.175 4.558 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.252 11.425 6.268 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.675 11.618 5.264 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.009 10.630 8.609 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.205 12.026 7.885 1.00 0.00 H new ATOM 1506 N ASP A 93 -2.729 10.944 3.843 1.00 0.00 N ATOM 1507 CA ASP A 93 -2.028 11.587 2.697 1.00 0.00 C ATOM 1508 C ASP A 93 -1.676 10.532 1.646 1.00 0.00 C ATOM 1509 O ASP A 93 -1.798 10.758 0.458 1.00 0.00 O ATOM 1510 CB ASP A 93 -0.747 12.256 3.200 1.00 0.00 C ATOM 1511 CG ASP A 93 -1.108 13.398 4.153 1.00 0.00 C ATOM 1512 OD1 ASP A 93 -2.265 13.784 4.171 1.00 0.00 O ATOM 1513 OD2 ASP A 93 -0.221 13.866 4.847 1.00 0.00 O ATOM 0 H ASP A 93 -2.214 10.946 4.724 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.681 12.335 2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.119 11.526 3.711 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.170 12.639 2.359 1.00 0.00 H new ATOM 1518 N LEU A 94 -1.237 9.384 2.075 1.00 0.00 N ATOM 1519 CA LEU A 94 -0.868 8.311 1.109 1.00 0.00 C ATOM 1520 C LEU A 94 -2.033 8.013 0.176 1.00 0.00 C ATOM 1521 O LEU A 94 -1.947 8.181 -1.023 1.00 0.00 O ATOM 1522 CB LEU A 94 -0.529 7.034 1.872 1.00 0.00 C ATOM 1523 CG LEU A 94 0.975 6.797 1.835 1.00 0.00 C ATOM 1524 CD1 LEU A 94 1.343 5.774 2.909 1.00 0.00 C ATOM 1525 CD2 LEU A 94 1.369 6.261 0.458 1.00 0.00 C ATOM 0 H LEU A 94 -1.117 9.140 3.058 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.010 8.650 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.869 7.115 2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.051 6.185 1.430 1.00 0.00 H new ATOM 0 HG LEU A 94 1.504 7.732 2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.418 5.598 2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.055 6.155 3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.818 4.838 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.445 6.090 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.847 5.323 0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.096 6.988 -0.307 1.00 0.00 H new ATOM 1537 N ILE A 95 -3.113 7.548 0.723 1.00 0.00 N ATOM 1538 CA ILE A 95 -4.283 7.203 -0.109 1.00 0.00 C ATOM 1539 C ILE A 95 -4.665 8.388 -0.988 1.00 0.00 C ATOM 1540 O ILE A 95 -5.081 8.223 -2.118 1.00 0.00 O ATOM 1541 CB ILE A 95 -5.428 6.822 0.815 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -4.959 5.669 1.704 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -6.625 6.377 -0.015 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -6.132 5.151 2.538 1.00 0.00 C ATOM 0 H ILE A 95 -3.234 7.391 1.724 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.050 6.364 -0.765 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.722 7.674 1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.554 4.865 1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.155 6.006 2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.446 6.104 0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.940 7.193 -0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.347 5.515 -0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.794 4.330 3.170 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.517 5.956 3.164 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.922 4.798 1.875 1.00 0.00 H new ATOM 1556 N THR A 96 -4.512 9.582 -0.496 1.00 0.00 N ATOM 1557 CA THR A 96 -4.851 10.760 -1.324 1.00 0.00 C ATOM 1558 C THR A 96 -4.038 10.695 -2.619 1.00 0.00 C ATOM 1559 O THR A 96 -4.529 10.991 -3.690 1.00 0.00 O ATOM 1560 CB THR A 96 -4.499 12.031 -0.553 1.00 0.00 C ATOM 1561 OG1 THR A 96 -5.064 11.963 0.749 1.00 0.00 O ATOM 1562 CG2 THR A 96 -5.063 13.240 -1.287 1.00 0.00 C ATOM 0 H THR A 96 -4.168 9.790 0.441 1.00 0.00 H new ATOM 0 HA THR A 96 -5.915 10.767 -1.558 1.00 0.00 H new ATOM 0 HB THR A 96 -3.416 12.124 -0.477 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.452 11.484 1.346 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.813 14.148 -0.738 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.634 13.291 -2.288 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.147 13.148 -1.361 1.00 0.00 H new ATOM 1570 N TYR A 97 -2.795 10.298 -2.525 1.00 0.00 N ATOM 1571 CA TYR A 97 -1.946 10.200 -3.744 1.00 0.00 C ATOM 1572 C TYR A 97 -2.219 8.881 -4.470 1.00 0.00 C ATOM 1573 O TYR A 97 -2.414 8.852 -5.669 1.00 0.00 O ATOM 1574 CB TYR A 97 -0.472 10.263 -3.342 1.00 0.00 C ATOM 1575 CG TYR A 97 0.386 9.987 -4.551 1.00 0.00 C ATOM 1576 CD1 TYR A 97 0.709 11.019 -5.440 1.00 0.00 C ATOM 1577 CD2 TYR A 97 0.858 8.690 -4.781 1.00 0.00 C ATOM 1578 CE1 TYR A 97 1.505 10.751 -6.560 1.00 0.00 C ATOM 1579 CE2 TYR A 97 1.653 8.422 -5.899 1.00 0.00 C ATOM 1580 CZ TYR A 97 1.978 9.453 -6.791 1.00 0.00 C ATOM 1581 OH TYR A 97 2.762 9.189 -7.894 1.00 0.00 O ATOM 0 H TYR A 97 -2.333 10.038 -1.654 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.182 11.029 -4.411 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.237 11.245 -2.931 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.265 9.532 -2.560 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.345 12.020 -5.262 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.608 7.895 -4.094 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.755 11.546 -7.247 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.017 7.421 -6.075 1.00 0.00 H new ATOM 0 HH TYR A 97 3.005 8.240 -7.903 1.00 0.00 H new ATOM 1591 N LEU A 98 -2.225 7.789 -3.757 1.00 0.00 N ATOM 1592 CA LEU A 98 -2.474 6.474 -4.416 1.00 0.00 C ATOM 1593 C LEU A 98 -3.798 6.534 -5.177 1.00 0.00 C ATOM 1594 O LEU A 98 -3.892 6.118 -6.314 1.00 0.00 O ATOM 1595 CB LEU A 98 -2.560 5.376 -3.352 1.00 0.00 C ATOM 1596 CG LEU A 98 -1.296 5.383 -2.484 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -1.493 4.448 -1.291 1.00 0.00 C ATOM 1598 CD2 LEU A 98 -0.101 4.897 -3.303 1.00 0.00 C ATOM 0 H LEU A 98 -2.069 7.749 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.659 6.254 -5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.440 5.532 -2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.677 4.404 -3.830 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.110 6.399 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.595 4.452 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.342 4.788 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.682 3.436 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.794 4.904 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.290 3.883 -3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.046 5.557 -4.158 1.00 0.00 H new ATOM 1610 N LYS A 99 -4.820 7.053 -4.556 1.00 0.00 N ATOM 1611 CA LYS A 99 -6.138 7.147 -5.243 1.00 0.00 C ATOM 1612 C LYS A 99 -6.007 8.035 -6.481 1.00 0.00 C ATOM 1613 O LYS A 99 -6.574 7.759 -7.519 1.00 0.00 O ATOM 1614 CB LYS A 99 -7.168 7.745 -4.288 1.00 0.00 C ATOM 1615 CG LYS A 99 -8.548 7.732 -4.948 1.00 0.00 C ATOM 1616 CD LYS A 99 -9.569 8.387 -4.014 1.00 0.00 C ATOM 1617 CE LYS A 99 -10.971 8.242 -4.609 1.00 0.00 C ATOM 1618 NZ LYS A 99 -11.567 6.950 -4.166 1.00 0.00 N ATOM 0 H LYS A 99 -4.800 7.416 -3.603 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.462 6.152 -5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.192 7.174 -3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.888 8.766 -4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.513 8.266 -5.898 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.847 6.707 -5.169 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.530 7.920 -3.030 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.328 9.441 -3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.600 9.073 -4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.921 8.278 -5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.565 6.911 -4.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.049 6.161 -4.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.504 6.875 -3.131 1.00 0.00 H new ATOM 1632 N LYS A 100 -5.262 9.100 -6.377 1.00 0.00 N ATOM 1633 CA LYS A 100 -5.089 10.010 -7.545 1.00 0.00 C ATOM 1634 C LYS A 100 -4.475 9.231 -8.704 1.00 0.00 C ATOM 1635 O LYS A 100 -4.885 9.353 -9.841 1.00 0.00 O ATOM 1636 CB LYS A 100 -4.144 11.146 -7.159 1.00 0.00 C ATOM 1637 CG LYS A 100 -4.159 12.220 -8.249 1.00 0.00 C ATOM 1638 CD LYS A 100 -3.165 13.326 -7.891 1.00 0.00 C ATOM 1639 CE LYS A 100 -3.294 14.474 -8.894 1.00 0.00 C ATOM 1640 NZ LYS A 100 -2.042 14.578 -9.694 1.00 0.00 N ATOM 0 H LYS A 100 -4.764 9.381 -5.532 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.057 10.414 -7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.448 11.577 -6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.133 10.762 -7.027 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.898 11.780 -9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.161 12.636 -8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.357 13.688 -6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.148 12.933 -7.901 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.146 14.302 -9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.481 15.411 -8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.130 15.358 -10.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.239 14.761 -9.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.882 13.687 -10.206 1.00 0.00 H new ATOM 1654 N ALA A 101 -3.497 8.427 -8.413 1.00 0.00 N ATOM 1655 CA ALA A 101 -2.843 7.624 -9.483 1.00 0.00 C ATOM 1656 C ALA A 101 -3.832 6.572 -9.976 1.00 0.00 C ATOM 1657 O ALA A 101 -4.075 6.434 -11.157 1.00 0.00 O ATOM 1658 CB ALA A 101 -1.597 6.935 -8.922 1.00 0.00 C ATOM 0 H ALA A 101 -3.118 8.289 -7.476 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.548 8.273 -10.307 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.121 6.348 -9.708 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.898 7.688 -8.557 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.883 6.278 -8.101 1.00 0.00 H new ATOM 1664 N THR A 102 -4.422 5.845 -9.070 1.00 0.00 N ATOM 1665 CA THR A 102 -5.415 4.820 -9.474 1.00 0.00 C ATOM 1666 C THR A 102 -6.584 5.528 -10.152 1.00 0.00 C ATOM 1667 O THR A 102 -7.225 4.994 -11.035 1.00 0.00 O ATOM 1668 CB THR A 102 -5.914 4.067 -8.237 1.00 0.00 C ATOM 1669 OG1 THR A 102 -4.803 3.531 -7.533 1.00 0.00 O ATOM 1670 CG2 THR A 102 -6.844 2.933 -8.668 1.00 0.00 C ATOM 0 H THR A 102 -4.257 5.919 -8.066 1.00 0.00 H new ATOM 0 HA THR A 102 -4.960 4.105 -10.159 1.00 0.00 H new ATOM 0 HB THR A 102 -6.460 4.752 -7.588 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.385 4.236 -6.996 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.198 2.398 -7.787 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.696 3.346 -9.208 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.302 2.245 -9.317 1.00 0.00 H new ATOM 1678 N GLU A 103 -6.863 6.736 -9.739 1.00 0.00 N ATOM 1679 CA GLU A 103 -7.990 7.491 -10.353 1.00 0.00 C ATOM 1680 C GLU A 103 -7.496 8.217 -11.606 1.00 0.00 C ATOM 1681 O GLU A 103 -7.254 7.612 -12.631 1.00 0.00 O ATOM 1682 CB GLU A 103 -8.527 8.513 -9.348 1.00 0.00 C ATOM 1683 CG GLU A 103 -9.771 9.191 -9.927 1.00 0.00 C ATOM 1684 CD GLU A 103 -10.249 10.282 -8.967 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -9.606 10.472 -7.949 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -11.251 10.910 -9.269 1.00 0.00 O ATOM 0 H GLU A 103 -6.359 7.231 -9.003 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.786 6.798 -10.626 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.773 8.020 -8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.763 9.258 -9.127 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.543 9.623 -10.901 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.561 8.456 -10.081 1.00 0.00 H new TER 1693 GLU A 103 HETATM 1694 FE HEC A 104 5.219 -2.394 1.612 1.00 0.00 FE HETATM 1695 CHA HEC A 104 3.511 -5.270 1.064 1.00 0.00 C HETATM 1696 CHB HEC A 104 2.411 -0.604 1.013 1.00 0.00 C HETATM 1697 CHC HEC A 104 6.926 0.478 2.161 1.00 0.00 C HETATM 1698 CHD HEC A 104 8.047 -4.172 2.121 1.00 0.00 C HETATM 1699 NA HEC A 104 3.364 -2.839 1.151 1.00 0.00 N HETATM 1700 C1A HEC A 104 2.808 -4.090 0.955 1.00 0.00 C HETATM 1701 C2A HEC A 104 1.389 -3.993 0.652 1.00 0.00 C HETATM 1702 C3A HEC A 104 1.101 -2.675 0.607 1.00 0.00 C HETATM 1703 C4A HEC A 104 2.312 -1.971 0.948 1.00 0.00 C HETATM 1704 CMA HEC A 104 -0.188 -2.066 0.171 1.00 0.00 C HETATM 1705 CAA HEC A 104 0.384 -5.102 0.604 1.00 0.00 C HETATM 1706 CBA HEC A 104 -0.119 -5.355 -0.822 1.00 0.00 C HETATM 1707 CGA HEC A 104 -0.893 -6.675 -0.881 1.00 0.00 C HETATM 1708 O1A HEC A 104 -0.429 -7.578 -1.556 1.00 0.00 O HETATM 1709 O2A HEC A 104 -1.942 -6.754 -0.261 1.00 0.00 O HETATM 1710 NB HEC A 104 4.770 -0.482 1.581 1.00 0.00 N HETATM 1711 C1B HEC A 104 3.552 0.097 1.301 1.00 0.00 C HETATM 1712 C2B HEC A 104 3.606 1.533 1.406 1.00 0.00 C HETATM 1713 C3B HEC A 104 4.885 1.854 1.695 1.00 0.00 C HETATM 1714 C4B HEC A 104 5.594 0.596 1.845 1.00 0.00 C HETATM 1715 CMB HEC A 104 2.441 2.458 1.439 1.00 0.00 C HETATM 1716 CAB HEC A 104 5.455 3.241 1.730 1.00 0.00 C HETATM 1717 CBB HEC A 104 4.849 4.092 2.848 1.00 0.00 C HETATM 1718 NC HEC A 104 7.068 -1.946 2.062 1.00 0.00 N HETATM 1719 C1C HEC A 104 7.614 -0.697 2.256 1.00 0.00 C HETATM 1720 C2C HEC A 104 9.010 -0.770 2.571 1.00 0.00 C HETATM 1721 C3C HEC A 104 9.355 -2.070 2.492 1.00 0.00 C HETATM 1722 C4C HEC A 104 8.134 -2.803 2.229 1.00 0.00 C HETATM 1723 CMC HEC A 104 9.851 0.333 3.109 1.00 0.00 C HETATM 1724 CAC HEC A 104 10.746 -2.585 2.440 1.00 0.00 C HETATM 1725 CBC HEC A 104 11.442 -2.585 3.801 1.00 0.00 C HETATM 1726 ND HEC A 104 5.672 -4.300 1.620 1.00 0.00 N HETATM 1727 C1D HEC A 104 6.902 -4.875 1.837 1.00 0.00 C HETATM 1728 C2D HEC A 104 6.842 -6.316 1.762 1.00 0.00 C HETATM 1729 C3D HEC A 104 5.558 -6.628 1.419 1.00 0.00 C HETATM 1730 C4D HEC A 104 4.843 -5.374 1.376 1.00 0.00 C HETATM 1731 CMD HEC A 104 7.899 -7.247 2.245 1.00 0.00 C HETATM 1732 CAD HEC A 104 4.990 -7.964 1.013 1.00 0.00 C HETATM 1733 CBD HEC A 104 6.030 -9.055 0.727 1.00 0.00 C HETATM 1734 CGD HEC A 104 5.488 -10.010 -0.336 1.00 0.00 C HETATM 1735 O1D HEC A 104 4.387 -10.501 -0.156 1.00 0.00 O HETATM 1736 O2D HEC A 104 6.188 -10.244 -1.305 1.00 0.00 O HETATM 0 HMD3 HEC A 104 8.830 -7.048 1.713 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 8.053 -7.099 3.314 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 7.589 -8.276 2.062 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 9.849 1.167 2.407 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 9.449 0.663 4.067 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 10.872 -0.022 3.248 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 1.862 2.347 0.522 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 1.811 2.220 2.296 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.795 3.486 1.523 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.393 -2.349 -0.862 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 -0.994 -2.423 0.812 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.120 -0.981 0.243 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 6.961 -8.604 0.385 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 6.258 -9.603 1.641 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 11.483 -1.567 4.188 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 10.885 -3.215 4.495 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 12.455 -2.973 3.692 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 3.772 4.174 2.700 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 5.048 3.622 3.811 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 5.295 5.087 2.831 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -0.761 -4.534 -1.141 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 0.724 -5.387 -1.513 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 4.327 -8.315 1.804 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 4.378 -7.825 0.122 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 0.831 -6.014 0.999 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -0.460 -4.856 1.248 1.00 0.00 H new HETATM 0 HHD HEC A 104 8.962 -4.745 2.273 1.00 0.00 H new HETATM 0 HHC HEC A 104 7.478 1.398 2.351 1.00 0.00 H new HETATM 0 HHB HEC A 104 1.506 -0.028 0.819 1.00 0.00 H new HETATM 0 HHA HEC A 104 2.964 -6.196 0.888 1.00 0.00 H new