USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 877 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 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A 67 HIS : no HE2:sc= -0.286 K(o=-1.9,f=-19!) USER MOD Set 1.2: A 80 MET CE :methyl -174:sc= -1.62 (180deg=-0.00152) USER MOD Set 2.1: A 63 ASN : amide:sc= -0.936 K(o=-4.8,f=-10!) USER MOD Set 2.2: A 74 TYR OH : rot -21:sc= -3.82! USER MOD Set 3.1: A 40 SER OG : rot -105:sc= -0.535 USER MOD Set 3.2: A 52 ASN : amide:sc= 0.351 K(o=-0.18,f=-6.6!) USER MOD Set 4.1: A 19 THR OG1 : rot 98:sc= -2.32 USER MOD Set 4.2: A 31 ASN : amide:sc= -5.62! C(o=-7.9!,f=-16!) 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 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -38:sc= 1.08 USER MOD Single : A -2 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.232) USER MOD Single : A -5 THR N :NH3+ -151:sc= 0.265 (180deg=-0.22) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -24:sc= 0.892 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 22 LYS NZ :NH3+ -162:sc= -0.0127 (180deg=-0.338) USER MOD Single : A 26 HIS : no HD1:sc= -0.0921 K(o=-0.092,f=-3.1!) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc=-0.00155 (180deg=-0.558) USER MOD Single : A 33 HIS : no HD1:sc= -2.42! C(o=-2.4!,f=-3.2!) USER MOD Single : A 39 HIS : no HD1:sc= -0.189 K(o=-0.19,f=-0.84) USER MOD Single : A 42 GLN : amide:sc= -1.89! C(o=-1.9!,f=-3.1!) USER MOD Single : A 46 TYR OH : rot 81:sc= 0.893 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -1.4! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 159:sc= -0.278 (180deg=-1.26!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -9.21! K(o=-9.2!,f=-0.79) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl -132:sc= -0.129 (180deg=-2.19) USER MOD Single : A 65 SER OG : rot -32:sc= 1.07 USER MOD Single : A 69 THR OG1 : rot 103:sc= 0.822 USER MOD Single : A 70 ASN : amide:sc= -2.85! K(o=-2.9!,f=-0.076) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= -0.79 (180deg=-2.14) USER MOD Single : A 86 LYS NZ :NH3+ 159:sc= -0.319 (180deg=-1.21) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -2.04 X(o=-2,f=-2.2!) USER MOD Single : A 96 THR OG1 : rot 88:sc= 1.04 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 141:sc= 0.788 (180deg=-0.256!) USER MOD Single : A 100 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0166) USER MOD Single : A 102 THR OG1 : rot -37:sc= 0.563 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -14.829 -11.405 -1.433 1.00 0.00 N ATOM 2 CA THR A -5 -14.254 -11.207 -0.073 1.00 0.00 C ATOM 3 C THR A -5 -14.566 -9.790 0.412 1.00 0.00 C ATOM 4 O THR A -5 -14.626 -9.529 1.597 1.00 0.00 O ATOM 5 CB THR A -5 -12.738 -11.405 -0.125 1.00 0.00 C ATOM 6 OG1 THR A -5 -12.312 -11.436 -1.481 1.00 0.00 O ATOM 7 CG2 THR A -5 -12.370 -12.724 0.556 1.00 0.00 C ATOM 0 H1 THR A -5 -15.065 -12.409 -1.567 1.00 0.00 H new ATOM 0 H2 THR A -5 -15.690 -10.830 -1.533 1.00 0.00 H new ATOM 0 H3 THR A -5 -14.134 -11.114 -2.150 1.00 0.00 H new ATOM 0 HA THR A -5 -14.692 -11.931 0.614 1.00 0.00 H new ATOM 0 HB THR A -5 -12.246 -10.581 0.393 1.00 0.00 H new ATOM 0 HG1 THR A -5 -11.341 -11.561 -1.516 1.00 0.00 H new ATOM 0 HG21 THR A -5 -11.290 -12.864 0.518 1.00 0.00 H new ATOM 0 HG22 THR A -5 -12.697 -12.700 1.596 1.00 0.00 H new ATOM 0 HG23 THR A -5 -12.861 -13.549 0.040 1.00 0.00 H new ATOM 17 N GLU A -4 -14.766 -8.872 -0.497 1.00 0.00 N ATOM 18 CA GLU A -4 -15.075 -7.472 -0.090 1.00 0.00 C ATOM 19 C GLU A -4 -14.177 -7.072 1.084 1.00 0.00 C ATOM 20 O GLU A -4 -13.098 -7.601 1.259 1.00 0.00 O ATOM 21 CB GLU A -4 -16.543 -7.376 0.330 1.00 0.00 C ATOM 22 CG GLU A -4 -17.440 -7.749 -0.854 1.00 0.00 C ATOM 23 CD GLU A -4 -18.907 -7.573 -0.460 1.00 0.00 C ATOM 24 OE1 GLU A -4 -19.163 -7.348 0.712 1.00 0.00 O ATOM 25 OE2 GLU A -4 -19.749 -7.666 -1.337 1.00 0.00 O ATOM 0 H GLU A -4 -14.728 -9.033 -1.504 1.00 0.00 H new ATOM 0 HA GLU A -4 -14.894 -6.800 -0.929 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -16.736 -8.043 1.170 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -16.770 -6.365 0.667 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -17.206 -7.121 -1.713 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -17.254 -8.781 -1.153 1.00 0.00 H new ATOM 32 N PHE A -3 -14.614 -6.141 1.888 1.00 0.00 N ATOM 33 CA PHE A -3 -13.783 -5.710 3.050 1.00 0.00 C ATOM 34 C PHE A -3 -14.236 -6.455 4.307 1.00 0.00 C ATOM 35 O PHE A -3 -15.401 -6.457 4.652 1.00 0.00 O ATOM 36 CB PHE A -3 -13.955 -4.204 3.261 1.00 0.00 C ATOM 37 CG PHE A -3 -13.067 -3.745 4.394 1.00 0.00 C ATOM 38 CD1 PHE A -3 -13.523 -3.828 5.715 1.00 0.00 C ATOM 39 CD2 PHE A -3 -11.793 -3.227 4.124 1.00 0.00 C ATOM 40 CE1 PHE A -3 -12.705 -3.395 6.766 1.00 0.00 C ATOM 41 CE2 PHE A -3 -10.977 -2.795 5.176 1.00 0.00 C ATOM 42 CZ PHE A -3 -11.433 -2.878 6.496 1.00 0.00 C ATOM 0 H PHE A -3 -15.509 -5.661 1.791 1.00 0.00 H new ATOM 0 HA PHE A -3 -12.735 -5.936 2.854 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -13.701 -3.667 2.347 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -14.997 -3.975 3.486 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -14.505 -4.226 5.923 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -11.441 -3.161 3.105 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -13.056 -3.460 7.785 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -9.995 -2.397 4.969 1.00 0.00 H new ATOM 0 HZ PHE A -3 -10.803 -2.543 7.307 1.00 0.00 H new ATOM 52 N LYS A -2 -13.324 -7.081 4.997 1.00 0.00 N ATOM 53 CA LYS A -2 -13.701 -7.821 6.234 1.00 0.00 C ATOM 54 C LYS A -2 -13.310 -6.995 7.460 1.00 0.00 C ATOM 55 O LYS A -2 -12.234 -6.432 7.521 1.00 0.00 O ATOM 56 CB LYS A -2 -12.971 -9.165 6.268 1.00 0.00 C ATOM 57 CG LYS A -2 -13.476 -9.993 7.451 1.00 0.00 C ATOM 58 CD LYS A -2 -12.829 -11.379 7.417 1.00 0.00 C ATOM 59 CE LYS A -2 -11.329 -11.251 7.684 1.00 0.00 C ATOM 60 NZ LYS A -2 -10.795 -12.558 8.158 1.00 0.00 N ATOM 0 H LYS A -2 -12.333 -7.112 4.758 1.00 0.00 H new ATOM 0 HA LYS A -2 -14.777 -7.994 6.241 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -13.138 -9.705 5.336 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -11.896 -9.005 6.356 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -13.236 -9.491 8.388 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -14.561 -10.085 7.407 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -13.288 -12.024 8.166 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -12.997 -11.846 6.447 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -10.812 -10.943 6.775 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -11.147 -10.479 8.432 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -9.755 -12.533 8.145 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -11.125 -12.737 9.128 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -11.131 -13.318 7.532 1.00 0.00 H new ATOM 74 N ALA A -1 -14.173 -6.917 8.438 1.00 0.00 N ATOM 75 CA ALA A -1 -13.849 -6.127 9.660 1.00 0.00 C ATOM 76 C ALA A -1 -12.396 -6.390 10.061 1.00 0.00 C ATOM 77 O ALA A -1 -12.077 -7.408 10.641 1.00 0.00 O ATOM 78 CB ALA A -1 -14.778 -6.548 10.800 1.00 0.00 C ATOM 0 H ALA A -1 -15.089 -7.367 8.443 1.00 0.00 H new ATOM 0 HA ALA A -1 -13.985 -5.065 9.456 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -14.542 -5.971 11.694 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -15.813 -6.364 10.512 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -14.642 -7.609 11.007 1.00 0.00 H new ATOM 84 N GLY A 1 -11.513 -5.480 9.751 1.00 0.00 N ATOM 85 CA GLY A 1 -10.081 -5.681 10.109 1.00 0.00 C ATOM 86 C GLY A 1 -9.758 -4.927 11.400 1.00 0.00 C ATOM 87 O GLY A 1 -10.124 -3.780 11.568 1.00 0.00 O ATOM 0 H GLY A 1 -11.721 -4.607 9.266 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.874 -6.744 10.236 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.441 -5.327 9.301 1.00 0.00 H new ATOM 91 N SER A 2 -9.071 -5.560 12.312 1.00 0.00 N ATOM 92 CA SER A 2 -8.720 -4.878 13.589 1.00 0.00 C ATOM 93 C SER A 2 -7.939 -3.600 13.281 1.00 0.00 C ATOM 94 O SER A 2 -8.051 -2.607 13.974 1.00 0.00 O ATOM 95 CB SER A 2 -7.861 -5.809 14.445 1.00 0.00 C ATOM 96 OG SER A 2 -7.658 -5.220 15.723 1.00 0.00 O ATOM 0 H SER A 2 -8.738 -6.520 12.227 1.00 0.00 H new ATOM 0 HA SER A 2 -9.631 -4.627 14.132 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.350 -6.777 14.552 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.902 -5.988 13.958 1.00 0.00 H new ATOM 0 HG SER A 2 -7.109 -5.816 16.274 1.00 0.00 H new ATOM 102 N ALA A 3 -7.153 -3.613 12.239 1.00 0.00 N ATOM 103 CA ALA A 3 -6.369 -2.401 11.876 1.00 0.00 C ATOM 104 C ALA A 3 -5.214 -2.209 12.860 1.00 0.00 C ATOM 105 O ALA A 3 -4.141 -1.773 12.493 1.00 0.00 O ATOM 106 CB ALA A 3 -7.282 -1.177 11.925 1.00 0.00 C ATOM 0 H ALA A 3 -7.021 -4.414 11.622 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.965 -2.524 10.871 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.712 -0.287 11.660 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.102 -1.306 11.219 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.685 -1.063 12.932 1.00 0.00 H new ATOM 112 N LYS A 4 -5.421 -2.526 14.108 1.00 0.00 N ATOM 113 CA LYS A 4 -4.327 -2.350 15.105 1.00 0.00 C ATOM 114 C LYS A 4 -3.113 -3.186 14.686 1.00 0.00 C ATOM 115 O LYS A 4 -1.999 -2.701 14.649 1.00 0.00 O ATOM 116 CB LYS A 4 -4.811 -2.807 16.481 1.00 0.00 C ATOM 117 CG LYS A 4 -3.736 -2.501 17.524 1.00 0.00 C ATOM 118 CD LYS A 4 -4.190 -3.014 18.892 1.00 0.00 C ATOM 119 CE LYS A 4 -3.180 -2.585 19.958 1.00 0.00 C ATOM 120 NZ LYS A 4 -2.658 -3.792 20.660 1.00 0.00 N ATOM 0 H LYS A 4 -6.295 -2.897 14.480 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.045 -1.298 15.151 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.740 -2.298 16.740 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.026 -3.875 16.467 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.795 -2.973 17.241 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.553 -1.427 17.569 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.177 -2.619 19.131 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.277 -4.100 18.874 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.359 -2.036 19.497 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.653 -1.911 20.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.971 -3.502 21.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.446 -4.298 21.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.192 -4.419 19.973 1.00 0.00 H new ATOM 134 N LYS A 5 -3.320 -4.434 14.364 1.00 0.00 N ATOM 135 CA LYS A 5 -2.174 -5.286 13.944 1.00 0.00 C ATOM 136 C LYS A 5 -1.582 -4.725 12.650 1.00 0.00 C ATOM 137 O LYS A 5 -0.381 -4.640 12.486 1.00 0.00 O ATOM 138 CB LYS A 5 -2.662 -6.716 13.707 1.00 0.00 C ATOM 139 CG LYS A 5 -3.160 -7.306 15.028 1.00 0.00 C ATOM 140 CD LYS A 5 -3.547 -8.772 14.820 1.00 0.00 C ATOM 141 CE LYS A 5 -4.165 -9.322 16.107 1.00 0.00 C ATOM 142 NZ LYS A 5 -3.932 -10.792 16.181 1.00 0.00 N ATOM 0 H LYS A 5 -4.229 -4.897 14.374 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.412 -5.291 14.724 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.463 -6.721 12.968 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.854 -7.326 13.305 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.383 -7.229 15.789 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.018 -6.740 15.390 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.256 -8.859 13.997 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.668 -9.356 14.547 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.725 -8.829 16.974 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.234 -9.111 16.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.352 -11.166 17.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.372 -11.255 15.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.909 -10.982 16.179 1.00 0.00 H new ATOM 156 N GLY A 6 -2.422 -4.335 11.730 1.00 0.00 N ATOM 157 CA GLY A 6 -1.920 -3.771 10.447 1.00 0.00 C ATOM 158 C GLY A 6 -1.132 -2.490 10.724 1.00 0.00 C ATOM 159 O GLY A 6 -0.192 -2.163 10.027 1.00 0.00 O ATOM 0 H GLY A 6 -3.437 -4.383 11.813 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.285 -4.499 9.942 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.755 -3.559 9.780 1.00 0.00 H new ATOM 163 N ALA A 7 -1.511 -1.757 11.737 1.00 0.00 N ATOM 164 CA ALA A 7 -0.789 -0.494 12.053 1.00 0.00 C ATOM 165 C ALA A 7 0.679 -0.805 12.342 1.00 0.00 C ATOM 166 O ALA A 7 1.569 -0.121 11.877 1.00 0.00 O ATOM 167 CB ALA A 7 -1.420 0.157 13.284 1.00 0.00 C ATOM 0 H ALA A 7 -2.289 -1.980 12.358 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.857 0.186 11.204 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.893 1.082 13.517 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.468 0.378 13.082 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.350 -0.524 14.132 1.00 0.00 H new ATOM 173 N THR A 8 0.940 -1.831 13.100 1.00 0.00 N ATOM 174 CA THR A 8 2.350 -2.183 13.410 1.00 0.00 C ATOM 175 C THR A 8 3.005 -2.778 12.162 1.00 0.00 C ATOM 176 O THR A 8 4.165 -2.543 11.888 1.00 0.00 O ATOM 177 CB THR A 8 2.379 -3.206 14.544 1.00 0.00 C ATOM 178 OG1 THR A 8 1.801 -4.424 14.097 1.00 0.00 O ATOM 179 CG2 THR A 8 1.584 -2.671 15.737 1.00 0.00 C ATOM 0 H THR A 8 0.237 -2.441 13.518 1.00 0.00 H new ATOM 0 HA THR A 8 2.895 -1.290 13.716 1.00 0.00 H new ATOM 0 HB THR A 8 3.411 -3.383 14.847 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.035 -4.229 13.518 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.605 -3.402 16.546 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.028 -1.737 16.080 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.552 -2.493 15.436 1.00 0.00 H new ATOM 187 N LEU A 9 2.268 -3.534 11.391 1.00 0.00 N ATOM 188 CA LEU A 9 2.859 -4.123 10.157 1.00 0.00 C ATOM 189 C LEU A 9 3.362 -2.979 9.283 1.00 0.00 C ATOM 190 O LEU A 9 4.430 -3.038 8.708 1.00 0.00 O ATOM 191 CB LEU A 9 1.788 -4.910 9.399 1.00 0.00 C ATOM 192 CG LEU A 9 2.429 -5.647 8.221 1.00 0.00 C ATOM 193 CD1 LEU A 9 2.939 -7.010 8.689 1.00 0.00 C ATOM 194 CD2 LEU A 9 1.393 -5.843 7.113 1.00 0.00 C ATOM 0 H LEU A 9 1.290 -3.767 11.562 1.00 0.00 H new ATOM 0 HA LEU A 9 3.677 -4.796 10.413 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.305 -5.623 10.067 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.012 -4.234 9.039 1.00 0.00 H new ATOM 0 HG LEU A 9 3.262 -5.059 7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.396 -7.535 7.850 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.680 -6.871 9.476 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.106 -7.597 9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.851 -6.368 6.275 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.558 -6.430 7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.031 -4.871 6.778 1.00 0.00 H new ATOM 206 N PHE A 10 2.596 -1.929 9.199 1.00 0.00 N ATOM 207 CA PHE A 10 3.010 -0.755 8.387 1.00 0.00 C ATOM 208 C PHE A 10 4.281 -0.163 9.001 1.00 0.00 C ATOM 209 O PHE A 10 5.244 0.134 8.318 1.00 0.00 O ATOM 210 CB PHE A 10 1.884 0.284 8.422 1.00 0.00 C ATOM 211 CG PHE A 10 2.218 1.452 7.526 1.00 0.00 C ATOM 212 CD1 PHE A 10 1.919 1.401 6.158 1.00 0.00 C ATOM 213 CD2 PHE A 10 2.818 2.594 8.068 1.00 0.00 C ATOM 214 CE1 PHE A 10 2.223 2.490 5.334 1.00 0.00 C ATOM 215 CE2 PHE A 10 3.121 3.683 7.244 1.00 0.00 C ATOM 216 CZ PHE A 10 2.826 3.632 5.878 1.00 0.00 C ATOM 0 H PHE A 10 1.693 -1.834 9.663 1.00 0.00 H new ATOM 0 HA PHE A 10 3.205 -1.047 7.355 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.948 -0.173 8.100 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.734 0.633 9.444 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.454 0.521 5.740 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.047 2.635 9.123 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.993 2.451 4.279 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.583 4.564 7.663 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.063 4.472 5.242 1.00 0.00 H new ATOM 226 N LYS A 11 4.277 0.008 10.294 1.00 0.00 N ATOM 227 CA LYS A 11 5.462 0.580 10.993 1.00 0.00 C ATOM 228 C LYS A 11 6.671 -0.347 10.836 1.00 0.00 C ATOM 229 O LYS A 11 7.792 0.098 10.680 1.00 0.00 O ATOM 230 CB LYS A 11 5.137 0.719 12.482 1.00 0.00 C ATOM 231 CG LYS A 11 6.225 1.546 13.169 1.00 0.00 C ATOM 232 CD LYS A 11 5.940 1.618 14.670 1.00 0.00 C ATOM 233 CE LYS A 11 6.931 2.574 15.334 1.00 0.00 C ATOM 234 NZ LYS A 11 6.186 3.686 15.989 1.00 0.00 N ATOM 0 H LYS A 11 3.493 -0.227 10.903 1.00 0.00 H new ATOM 0 HA LYS A 11 5.698 1.552 10.559 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.166 1.198 12.610 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.069 -0.266 12.943 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.203 1.097 12.995 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.256 2.550 12.745 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.919 1.960 14.841 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.023 0.626 15.114 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.530 2.039 16.071 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.622 2.973 14.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.860 4.337 16.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.633 4.201 15.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.544 3.297 16.709 1.00 0.00 H new ATOM 248 N THR A 12 6.454 -1.629 10.913 1.00 0.00 N ATOM 249 CA THR A 12 7.590 -2.593 10.812 1.00 0.00 C ATOM 250 C THR A 12 8.163 -2.647 9.391 1.00 0.00 C ATOM 251 O THR A 12 9.347 -2.842 9.209 1.00 0.00 O ATOM 252 CB THR A 12 7.100 -3.988 11.207 1.00 0.00 C ATOM 253 OG1 THR A 12 6.131 -4.431 10.266 1.00 0.00 O ATOM 254 CG2 THR A 12 6.475 -3.937 12.602 1.00 0.00 C ATOM 0 H THR A 12 5.536 -2.055 11.042 1.00 0.00 H new ATOM 0 HA THR A 12 8.380 -2.257 11.483 1.00 0.00 H new ATOM 0 HB THR A 12 7.942 -4.680 11.216 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.725 -3.656 9.825 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.127 -4.931 12.881 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.220 -3.598 13.322 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.633 -3.245 12.598 1.00 0.00 H new ATOM 262 N ARG A 13 7.350 -2.500 8.380 1.00 0.00 N ATOM 263 CA ARG A 13 7.896 -2.577 6.994 1.00 0.00 C ATOM 264 C ARG A 13 7.077 -1.711 6.035 1.00 0.00 C ATOM 265 O ARG A 13 6.522 -2.200 5.071 1.00 0.00 O ATOM 266 CB ARG A 13 7.856 -4.031 6.513 1.00 0.00 C ATOM 267 CG ARG A 13 8.825 -4.876 7.346 1.00 0.00 C ATOM 268 CD ARG A 13 8.909 -6.285 6.758 1.00 0.00 C ATOM 269 NE ARG A 13 9.700 -7.160 7.670 1.00 0.00 N ATOM 270 CZ ARG A 13 10.023 -8.368 7.298 1.00 0.00 C ATOM 271 NH1 ARG A 13 9.657 -8.809 6.126 1.00 0.00 N ATOM 272 NH2 ARG A 13 10.715 -9.133 8.096 1.00 0.00 N ATOM 0 H ARG A 13 6.346 -2.332 8.450 1.00 0.00 H new ATOM 0 HA ARG A 13 8.922 -2.210 7.007 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.844 -4.426 6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.127 -4.083 5.458 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.812 -4.414 7.354 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.487 -4.922 8.381 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.908 -6.694 6.623 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.376 -6.252 5.773 1.00 0.00 H new ATOM 0 HE ARG A 13 9.989 -6.814 8.585 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.118 -8.209 5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.909 -9.753 5.835 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.004 -8.787 9.011 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.967 -10.077 7.805 1.00 0.00 H new ATOM 286 N CYS A 14 7.000 -0.432 6.276 1.00 0.00 N ATOM 287 CA CYS A 14 6.221 0.440 5.355 1.00 0.00 C ATOM 288 C CYS A 14 6.414 1.909 5.737 1.00 0.00 C ATOM 289 O CYS A 14 6.691 2.746 4.901 1.00 0.00 O ATOM 290 CB CYS A 14 4.742 0.076 5.450 1.00 0.00 C ATOM 291 SG CYS A 14 3.898 0.551 3.918 1.00 0.00 S ATOM 0 H CYS A 14 7.439 0.044 7.064 1.00 0.00 H new ATOM 0 HA CYS A 14 6.572 0.291 4.334 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.631 -0.995 5.621 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.286 0.583 6.300 1.00 0.00 H new ATOM 296 N LEU A 15 6.267 2.229 6.991 1.00 0.00 N ATOM 297 CA LEU A 15 6.438 3.646 7.425 1.00 0.00 C ATOM 298 C LEU A 15 7.835 4.142 7.050 1.00 0.00 C ATOM 299 O LEU A 15 8.020 5.288 6.692 1.00 0.00 O ATOM 300 CB LEU A 15 6.250 3.747 8.939 1.00 0.00 C ATOM 301 CG LEU A 15 6.425 5.204 9.379 1.00 0.00 C ATOM 302 CD1 LEU A 15 5.157 5.699 10.079 1.00 0.00 C ATOM 303 CD2 LEU A 15 7.605 5.300 10.346 1.00 0.00 C ATOM 0 H LEU A 15 6.036 1.572 7.736 1.00 0.00 H new ATOM 0 HA LEU A 15 5.692 4.263 6.924 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.259 3.388 9.218 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.974 3.112 9.449 1.00 0.00 H new ATOM 0 HG LEU A 15 6.612 5.822 8.501 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.293 6.736 10.387 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.313 5.632 9.393 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.961 5.082 10.956 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.733 6.335 10.662 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.412 4.676 11.218 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.512 4.957 9.848 1.00 0.00 H new ATOM 315 N GLN A 16 8.823 3.297 7.134 1.00 0.00 N ATOM 316 CA GLN A 16 10.204 3.734 6.789 1.00 0.00 C ATOM 317 C GLN A 16 10.223 4.288 5.363 1.00 0.00 C ATOM 318 O GLN A 16 10.944 5.217 5.059 1.00 0.00 O ATOM 319 CB GLN A 16 11.155 2.539 6.882 1.00 0.00 C ATOM 320 CG GLN A 16 11.223 2.052 8.331 1.00 0.00 C ATOM 321 CD GLN A 16 12.145 0.835 8.419 1.00 0.00 C ATOM 322 OE1 GLN A 16 12.475 0.234 7.417 1.00 0.00 O ATOM 323 NE2 GLN A 16 12.578 0.443 9.588 1.00 0.00 N ATOM 0 H GLN A 16 8.735 2.324 7.426 1.00 0.00 H new ATOM 0 HA GLN A 16 10.523 4.509 7.485 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.810 1.735 6.233 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.149 2.824 6.536 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.593 2.849 8.976 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.226 1.792 8.685 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.301 0.948 10.430 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.193 -0.368 9.658 1.00 0.00 H new ATOM 332 N CYS A 17 9.442 3.723 4.486 1.00 0.00 N ATOM 333 CA CYS A 17 9.422 4.216 3.079 1.00 0.00 C ATOM 334 C CYS A 17 8.252 5.181 2.872 1.00 0.00 C ATOM 335 O CYS A 17 8.411 6.254 2.325 1.00 0.00 O ATOM 336 CB CYS A 17 9.255 3.032 2.132 1.00 0.00 C ATOM 337 SG CYS A 17 10.755 2.018 2.154 1.00 0.00 S ATOM 0 H CYS A 17 8.816 2.941 4.681 1.00 0.00 H new ATOM 0 HA CYS A 17 10.359 4.735 2.875 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.395 2.433 2.431 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.059 3.388 1.120 1.00 0.00 H new ATOM 342 N HIS A 18 7.075 4.804 3.291 1.00 0.00 N ATOM 343 CA HIS A 18 5.897 5.697 3.101 1.00 0.00 C ATOM 344 C HIS A 18 5.607 6.454 4.400 1.00 0.00 C ATOM 345 O HIS A 18 5.223 5.875 5.393 1.00 0.00 O ATOM 346 CB HIS A 18 4.680 4.850 2.723 1.00 0.00 C ATOM 347 CG HIS A 18 4.842 4.316 1.328 1.00 0.00 C ATOM 348 ND1 HIS A 18 4.639 5.097 0.194 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.168 3.068 0.869 1.00 0.00 C ATOM 350 CE1 HIS A 18 4.842 4.308 -0.883 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.165 3.069 -0.518 1.00 0.00 N ATOM 0 H HIS A 18 6.878 3.918 3.756 1.00 0.00 H new ATOM 0 HA HIS A 18 6.109 6.414 2.308 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.567 4.025 3.427 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.773 5.451 2.789 1.00 0.00 H new ATOM 0 HD1 HIS A 18 4.384 6.084 0.179 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.393 2.214 1.491 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.754 4.639 -1.907 1.00 0.00 H new ATOM 359 N THR A 19 5.783 7.746 4.393 1.00 0.00 N ATOM 360 CA THR A 19 5.513 8.542 5.624 1.00 0.00 C ATOM 361 C THR A 19 4.017 8.843 5.723 1.00 0.00 C ATOM 362 O THR A 19 3.515 9.170 6.780 1.00 0.00 O ATOM 363 CB THR A 19 6.293 9.857 5.562 1.00 0.00 C ATOM 364 OG1 THR A 19 5.785 10.652 4.499 1.00 0.00 O ATOM 365 CG2 THR A 19 7.774 9.565 5.321 1.00 0.00 C ATOM 0 H THR A 19 6.102 8.286 3.588 1.00 0.00 H new ATOM 0 HA THR A 19 5.827 7.972 6.499 1.00 0.00 H new ATOM 0 HB THR A 19 6.182 10.392 6.505 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.152 11.310 4.856 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.327 10.503 5.277 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.161 8.953 6.135 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.891 9.031 4.378 1.00 0.00 H new ATOM 373 N VAL A 20 3.306 8.739 4.629 1.00 0.00 N ATOM 374 CA VAL A 20 1.836 9.022 4.643 1.00 0.00 C ATOM 375 C VAL A 20 1.540 10.186 5.593 1.00 0.00 C ATOM 376 O VAL A 20 0.584 10.162 6.342 1.00 0.00 O ATOM 377 CB VAL A 20 1.065 7.773 5.091 1.00 0.00 C ATOM 378 CG1 VAL A 20 1.507 7.348 6.495 1.00 0.00 C ATOM 379 CG2 VAL A 20 -0.433 8.082 5.105 1.00 0.00 C ATOM 0 H VAL A 20 3.682 8.469 3.720 1.00 0.00 H new ATOM 0 HA VAL A 20 1.517 9.293 3.636 1.00 0.00 H new ATOM 0 HB VAL A 20 1.272 6.961 4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.951 6.461 6.799 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.574 7.123 6.488 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.311 8.157 7.199 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.984 7.197 5.423 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.629 8.900 5.798 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.755 8.370 4.104 1.00 0.00 H new ATOM 389 N GLU A 21 2.357 11.205 5.567 1.00 0.00 N ATOM 390 CA GLU A 21 2.129 12.371 6.468 1.00 0.00 C ATOM 391 C GLU A 21 1.492 13.514 5.673 1.00 0.00 C ATOM 392 O GLU A 21 1.740 13.679 4.495 1.00 0.00 O ATOM 393 CB GLU A 21 3.465 12.837 7.048 1.00 0.00 C ATOM 394 CG GLU A 21 3.214 13.939 8.080 1.00 0.00 C ATOM 395 CD GLU A 21 4.553 14.474 8.593 1.00 0.00 C ATOM 396 OE1 GLU A 21 5.575 14.003 8.120 1.00 0.00 O ATOM 397 OE2 GLU A 21 4.533 15.343 9.448 1.00 0.00 O ATOM 0 H GLU A 21 3.173 11.280 4.960 1.00 0.00 H new ATOM 0 HA GLU A 21 1.463 12.077 7.280 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.984 11.999 7.513 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.110 13.209 6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.636 14.747 7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.625 13.548 8.909 1.00 0.00 H new ATOM 404 N LYS A 22 0.668 14.303 6.307 1.00 0.00 N ATOM 405 CA LYS A 22 0.014 15.431 5.587 1.00 0.00 C ATOM 406 C LYS A 22 1.085 16.333 4.967 1.00 0.00 C ATOM 407 O LYS A 22 0.917 16.856 3.883 1.00 0.00 O ATOM 408 CB LYS A 22 -0.832 16.240 6.574 1.00 0.00 C ATOM 409 CG LYS A 22 0.081 16.949 7.576 1.00 0.00 C ATOM 410 CD LYS A 22 -0.771 17.632 8.649 1.00 0.00 C ATOM 411 CE LYS A 22 0.099 18.599 9.452 1.00 0.00 C ATOM 412 NZ LYS A 22 1.264 17.864 10.021 1.00 0.00 N ATOM 0 H LYS A 22 0.420 14.215 7.292 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.626 15.038 4.797 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.435 16.972 6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.523 15.582 7.100 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.759 16.231 8.037 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.698 17.686 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.597 18.170 8.184 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.209 16.885 9.311 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.445 19.411 8.812 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.486 19.051 10.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.680 18.419 10.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.949 16.942 10.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.978 17.717 9.279 1.00 0.00 H new ATOM 426 N GLY A 23 2.188 16.515 5.641 1.00 0.00 N ATOM 427 CA GLY A 23 3.268 17.377 5.081 1.00 0.00 C ATOM 428 C GLY A 23 3.657 16.861 3.696 1.00 0.00 C ATOM 429 O GLY A 23 4.049 17.614 2.827 1.00 0.00 O ATOM 0 H GLY A 23 2.388 16.105 6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.927 18.410 5.015 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.135 17.369 5.742 1.00 0.00 H new ATOM 433 N GLY A 24 3.545 15.579 3.484 1.00 0.00 N ATOM 434 CA GLY A 24 3.903 15.000 2.159 1.00 0.00 C ATOM 435 C GLY A 24 5.400 15.186 1.899 1.00 0.00 C ATOM 436 O GLY A 24 5.799 15.756 0.903 1.00 0.00 O ATOM 0 H GLY A 24 3.219 14.904 4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.649 13.940 2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.325 15.484 1.372 1.00 0.00 H new ATOM 440 N PRO A 25 6.220 14.695 2.789 1.00 0.00 N ATOM 441 CA PRO A 25 7.703 14.793 2.662 1.00 0.00 C ATOM 442 C PRO A 25 8.237 13.950 1.499 1.00 0.00 C ATOM 443 O PRO A 25 9.301 14.210 0.970 1.00 0.00 O ATOM 444 CB PRO A 25 8.228 14.257 3.997 1.00 0.00 C ATOM 445 CG PRO A 25 7.128 13.413 4.551 1.00 0.00 C ATOM 446 CD PRO A 25 5.819 13.990 4.016 1.00 0.00 C ATOM 0 HA PRO A 25 8.023 15.814 2.453 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.137 13.672 3.855 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.477 15.072 4.676 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.246 12.374 4.245 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.140 13.428 5.641 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.092 13.205 3.807 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.358 14.668 4.734 1.00 0.00 H new ATOM 454 N HIS A 26 7.509 12.942 1.100 1.00 0.00 N ATOM 455 CA HIS A 26 7.973 12.083 -0.027 1.00 0.00 C ATOM 456 C HIS A 26 9.373 11.548 0.277 1.00 0.00 C ATOM 457 O HIS A 26 10.304 11.765 -0.470 1.00 0.00 O ATOM 458 CB HIS A 26 8.003 12.900 -1.319 1.00 0.00 C ATOM 459 CG HIS A 26 6.599 13.279 -1.697 1.00 0.00 C ATOM 460 ND1 HIS A 26 5.639 12.328 -2.006 1.00 0.00 N ATOM 461 CD2 HIS A 26 5.977 14.497 -1.821 1.00 0.00 C ATOM 462 CE1 HIS A 26 4.500 12.982 -2.298 1.00 0.00 C ATOM 463 NE2 HIS A 26 4.653 14.304 -2.200 1.00 0.00 N ATOM 0 H HIS A 26 6.612 12.676 1.506 1.00 0.00 H new ATOM 0 HA HIS A 26 7.286 11.245 -0.148 1.00 0.00 H new ATOM 0 HB2 HIS A 26 8.610 13.795 -1.183 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.464 12.321 -2.119 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.444 15.456 -1.651 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.576 12.497 -2.577 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.948 15.022 -2.368 1.00 0.00 H new ATOM 472 N LYS A 27 9.527 10.852 1.370 1.00 0.00 N ATOM 473 CA LYS A 27 10.867 10.303 1.722 1.00 0.00 C ATOM 474 C LYS A 27 11.348 9.378 0.598 1.00 0.00 C ATOM 475 O LYS A 27 11.455 9.777 -0.544 1.00 0.00 O ATOM 476 CB LYS A 27 10.765 9.518 3.032 1.00 0.00 C ATOM 477 CG LYS A 27 12.168 9.262 3.593 1.00 0.00 C ATOM 478 CD LYS A 27 12.062 8.410 4.859 1.00 0.00 C ATOM 479 CE LYS A 27 13.447 8.267 5.495 1.00 0.00 C ATOM 480 NZ LYS A 27 14.176 7.139 4.848 1.00 0.00 N ATOM 0 H LYS A 27 8.783 10.640 2.034 1.00 0.00 H new ATOM 0 HA LYS A 27 11.579 11.119 1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.170 10.075 3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.253 8.571 2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.782 8.753 2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.660 10.208 3.818 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.372 8.872 5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.658 7.427 4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.010 9.193 5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.351 8.086 6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.934 6.808 5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.514 6.359 4.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.590 7.462 3.950 1.00 0.00 H new ATOM 494 N VAL A 28 11.642 8.145 0.911 1.00 0.00 N ATOM 495 CA VAL A 28 12.116 7.200 -0.140 1.00 0.00 C ATOM 496 C VAL A 28 10.994 6.936 -1.147 1.00 0.00 C ATOM 497 O VAL A 28 11.226 6.851 -2.338 1.00 0.00 O ATOM 498 CB VAL A 28 12.537 5.881 0.511 1.00 0.00 C ATOM 499 CG1 VAL A 28 12.858 4.855 -0.576 1.00 0.00 C ATOM 500 CG2 VAL A 28 13.780 6.112 1.376 1.00 0.00 C ATOM 0 H VAL A 28 11.574 7.751 1.850 1.00 0.00 H new ATOM 0 HA VAL A 28 12.968 7.640 -0.659 1.00 0.00 H new ATOM 0 HB VAL A 28 11.724 5.509 1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.158 3.915 -0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.974 4.690 -1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.671 5.228 -1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.080 5.172 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.593 6.485 0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.553 6.843 2.152 1.00 0.00 H new ATOM 510 N GLY A 29 9.782 6.797 -0.677 1.00 0.00 N ATOM 511 CA GLY A 29 8.641 6.529 -1.603 1.00 0.00 C ATOM 512 C GLY A 29 7.578 7.615 -1.441 1.00 0.00 C ATOM 513 O GLY A 29 7.609 8.395 -0.509 1.00 0.00 O ATOM 0 H GLY A 29 9.532 6.858 0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.995 6.504 -2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.210 5.551 -1.390 1.00 0.00 H new ATOM 517 N PRO A 30 6.643 7.663 -2.351 1.00 0.00 N ATOM 518 CA PRO A 30 5.540 8.666 -2.330 1.00 0.00 C ATOM 519 C PRO A 30 4.699 8.577 -1.053 1.00 0.00 C ATOM 520 O PRO A 30 4.584 7.533 -0.443 1.00 0.00 O ATOM 521 CB PRO A 30 4.687 8.325 -3.556 1.00 0.00 C ATOM 522 CG PRO A 30 5.098 6.956 -3.980 1.00 0.00 C ATOM 523 CD PRO A 30 6.535 6.759 -3.502 1.00 0.00 C ATOM 0 HA PRO A 30 5.931 9.683 -2.351 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.625 8.355 -3.312 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.850 9.046 -4.357 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.440 6.203 -3.546 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.033 6.851 -5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.725 5.724 -3.218 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.255 7.013 -4.280 1.00 0.00 H new ATOM 531 N ASN A 31 4.108 9.666 -0.648 1.00 0.00 N ATOM 532 CA ASN A 31 3.274 9.652 0.583 1.00 0.00 C ATOM 533 C ASN A 31 1.834 9.290 0.207 1.00 0.00 C ATOM 534 O ASN A 31 1.326 9.716 -0.811 1.00 0.00 O ATOM 535 CB ASN A 31 3.306 11.042 1.222 1.00 0.00 C ATOM 536 CG ASN A 31 4.758 11.493 1.389 1.00 0.00 C ATOM 537 OD1 ASN A 31 5.110 12.593 1.013 1.00 0.00 O ATOM 538 ND2 ASN A 31 5.624 10.685 1.938 1.00 0.00 N ATOM 0 H ASN A 31 4.168 10.568 -1.120 1.00 0.00 H new ATOM 0 HA ASN A 31 3.660 8.918 1.290 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.763 11.753 0.599 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.807 11.020 2.191 1.00 0.00 H new ATOM 0 HD21 ASN A 31 6.595 10.978 2.051 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.330 9.761 2.254 1.00 0.00 H new ATOM 545 N LEU A 32 1.173 8.503 1.013 1.00 0.00 N ATOM 546 CA LEU A 32 -0.229 8.117 0.687 1.00 0.00 C ATOM 547 C LEU A 32 -1.206 9.088 1.354 1.00 0.00 C ATOM 548 O LEU A 32 -1.015 9.502 2.479 1.00 0.00 O ATOM 549 CB LEU A 32 -0.507 6.698 1.189 1.00 0.00 C ATOM 550 CG LEU A 32 0.411 5.708 0.466 1.00 0.00 C ATOM 551 CD1 LEU A 32 1.860 5.924 0.906 1.00 0.00 C ATOM 552 CD2 LEU A 32 -0.016 4.278 0.810 1.00 0.00 C ATOM 0 H LEU A 32 1.542 8.112 1.880 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.362 8.154 -0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.342 6.643 2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.551 6.437 1.013 1.00 0.00 H new ATOM 0 HG LEU A 32 0.336 5.868 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.507 5.216 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.166 6.941 0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.941 5.768 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.635 3.570 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.059 4.125 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.046 4.119 0.492 1.00 0.00 H new ATOM 564 N HIS A 33 -2.253 9.446 0.664 1.00 0.00 N ATOM 565 CA HIS A 33 -3.255 10.383 1.245 1.00 0.00 C ATOM 566 C HIS A 33 -4.412 10.544 0.260 1.00 0.00 C ATOM 567 O HIS A 33 -4.425 11.444 -0.556 1.00 0.00 O ATOM 568 CB HIS A 33 -2.604 11.746 1.497 1.00 0.00 C ATOM 569 CG HIS A 33 -2.054 12.288 0.205 1.00 0.00 C ATOM 570 ND1 HIS A 33 -0.881 11.806 -0.360 1.00 0.00 N ATOM 571 CD2 HIS A 33 -2.504 13.269 -0.643 1.00 0.00 C ATOM 572 CE1 HIS A 33 -0.668 12.491 -1.498 1.00 0.00 C ATOM 573 NE2 HIS A 33 -1.626 13.394 -1.714 1.00 0.00 N ATOM 0 H HIS A 33 -2.459 9.128 -0.283 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.625 9.985 2.190 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.336 12.439 1.912 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.805 11.649 2.232 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.401 13.853 -0.500 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.174 12.330 -2.155 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.699 14.040 -2.500 1.00 0.00 H new ATOM 582 N GLY A 34 -5.378 9.672 0.324 1.00 0.00 N ATOM 583 CA GLY A 34 -6.531 9.766 -0.615 1.00 0.00 C ATOM 584 C GLY A 34 -6.259 8.874 -1.827 1.00 0.00 C ATOM 585 O GLY A 34 -7.026 8.833 -2.766 1.00 0.00 O ATOM 0 H GLY A 34 -5.420 8.897 0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.449 9.455 -0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.675 10.799 -0.932 1.00 0.00 H new ATOM 589 N ILE A 35 -5.167 8.157 -1.807 1.00 0.00 N ATOM 590 CA ILE A 35 -4.834 7.264 -2.952 1.00 0.00 C ATOM 591 C ILE A 35 -5.988 6.292 -3.194 1.00 0.00 C ATOM 592 O ILE A 35 -6.136 5.744 -4.268 1.00 0.00 O ATOM 593 CB ILE A 35 -3.563 6.473 -2.628 1.00 0.00 C ATOM 594 CG1 ILE A 35 -3.046 5.791 -3.899 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.879 5.412 -1.574 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.601 5.338 -3.681 1.00 0.00 C ATOM 0 H ILE A 35 -4.490 8.152 -1.044 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.672 7.866 -3.846 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.801 7.152 -2.245 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.674 4.935 -4.147 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.100 6.480 -4.742 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.975 4.848 -1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.246 5.896 -0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.641 4.734 -1.958 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.232 4.853 -4.584 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.979 6.204 -3.454 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.562 4.635 -2.849 1.00 0.00 H new ATOM 608 N PHE A 36 -6.809 6.072 -2.205 1.00 0.00 N ATOM 609 CA PHE A 36 -7.951 5.137 -2.381 1.00 0.00 C ATOM 610 C PHE A 36 -8.945 5.726 -3.382 1.00 0.00 C ATOM 611 O PHE A 36 -9.320 6.878 -3.297 1.00 0.00 O ATOM 612 CB PHE A 36 -8.643 4.938 -1.034 1.00 0.00 C ATOM 613 CG PHE A 36 -7.761 4.113 -0.130 1.00 0.00 C ATOM 614 CD1 PHE A 36 -6.809 4.734 0.691 1.00 0.00 C ATOM 615 CD2 PHE A 36 -7.901 2.721 -0.108 1.00 0.00 C ATOM 616 CE1 PHE A 36 -6.000 3.960 1.532 1.00 0.00 C ATOM 617 CE2 PHE A 36 -7.093 1.949 0.732 1.00 0.00 C ATOM 618 CZ PHE A 36 -6.142 2.567 1.552 1.00 0.00 C ATOM 0 H PHE A 36 -6.737 6.501 -1.282 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.588 4.180 -2.755 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.850 5.904 -0.574 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.602 4.440 -1.176 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.700 5.808 0.675 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.634 2.242 -0.741 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.267 4.437 2.165 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.203 0.875 0.748 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.518 1.970 2.200 1.00 0.00 H new ATOM 628 N GLY A 37 -9.375 4.941 -4.333 1.00 0.00 N ATOM 629 CA GLY A 37 -10.347 5.453 -5.339 1.00 0.00 C ATOM 630 C GLY A 37 -9.636 6.412 -6.297 1.00 0.00 C ATOM 631 O GLY A 37 -10.253 7.272 -6.894 1.00 0.00 O ATOM 0 H GLY A 37 -9.095 3.968 -4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.781 4.623 -5.895 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.168 5.965 -4.838 1.00 0.00 H new ATOM 635 N ARG A 38 -8.345 6.278 -6.444 1.00 0.00 N ATOM 636 CA ARG A 38 -7.597 7.188 -7.360 1.00 0.00 C ATOM 637 C ARG A 38 -6.659 6.375 -8.251 1.00 0.00 C ATOM 638 O ARG A 38 -6.297 5.257 -7.937 1.00 0.00 O ATOM 639 CB ARG A 38 -6.780 8.189 -6.541 1.00 0.00 C ATOM 640 CG ARG A 38 -7.720 9.077 -5.726 1.00 0.00 C ATOM 641 CD ARG A 38 -6.916 10.196 -5.062 1.00 0.00 C ATOM 642 NE ARG A 38 -7.758 10.870 -4.034 1.00 0.00 N ATOM 643 CZ ARG A 38 -8.726 11.664 -4.402 1.00 0.00 C ATOM 644 NH1 ARG A 38 -8.956 11.868 -5.671 1.00 0.00 N ATOM 645 NH2 ARG A 38 -9.465 12.252 -3.502 1.00 0.00 N ATOM 0 H ARG A 38 -7.776 5.577 -5.969 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.310 7.726 -7.984 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.098 7.659 -5.876 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.168 8.802 -7.203 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.488 9.501 -6.372 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.232 8.484 -4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.017 9.788 -4.600 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.590 10.918 -5.811 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.578 10.711 -3.043 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.379 11.407 -6.374 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.713 12.489 -5.959 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.286 12.091 -2.511 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.222 12.873 -3.790 1.00 0.00 H new ATOM 659 N HIS A 39 -6.256 6.932 -9.360 1.00 0.00 N ATOM 660 CA HIS A 39 -5.337 6.200 -10.275 1.00 0.00 C ATOM 661 C HIS A 39 -3.888 6.528 -9.908 1.00 0.00 C ATOM 662 O HIS A 39 -3.580 7.614 -9.462 1.00 0.00 O ATOM 663 CB HIS A 39 -5.606 6.629 -11.718 1.00 0.00 C ATOM 664 CG HIS A 39 -6.987 6.189 -12.124 1.00 0.00 C ATOM 665 ND1 HIS A 39 -8.097 7.012 -11.984 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.454 5.017 -12.666 1.00 0.00 C ATOM 667 CE1 HIS A 39 -9.167 6.328 -12.434 1.00 0.00 C ATOM 668 NE2 HIS A 39 -8.828 5.110 -12.859 1.00 0.00 N ATOM 0 H HIS A 39 -6.525 7.865 -9.672 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.504 5.127 -10.178 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.516 7.711 -11.809 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.863 6.190 -12.384 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.848 4.156 -12.905 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.174 6.718 -12.449 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.447 4.397 -13.245 1.00 0.00 H new ATOM 677 N SER A 40 -2.998 5.590 -10.087 1.00 0.00 N ATOM 678 CA SER A 40 -1.569 5.838 -9.743 1.00 0.00 C ATOM 679 C SER A 40 -1.011 6.956 -10.624 1.00 0.00 C ATOM 680 O SER A 40 -1.498 7.211 -11.707 1.00 0.00 O ATOM 681 CB SER A 40 -0.764 4.560 -9.979 1.00 0.00 C ATOM 682 OG SER A 40 0.421 4.601 -9.194 1.00 0.00 O ATOM 0 H SER A 40 -3.199 4.661 -10.457 1.00 0.00 H new ATOM 0 HA SER A 40 -1.496 6.133 -8.696 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.360 3.687 -9.714 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.512 4.465 -11.035 1.00 0.00 H new ATOM 0 HG SER A 40 1.189 4.794 -9.771 1.00 0.00 H new ATOM 688 N GLY A 41 0.015 7.624 -10.168 1.00 0.00 N ATOM 689 CA GLY A 41 0.615 8.721 -10.975 1.00 0.00 C ATOM 690 C GLY A 41 0.129 10.076 -10.450 1.00 0.00 C ATOM 691 O GLY A 41 0.672 11.110 -10.786 1.00 0.00 O ATOM 0 H GLY A 41 0.464 7.455 -9.268 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.703 8.670 -10.924 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.339 8.607 -12.023 1.00 0.00 H new ATOM 695 N GLN A 42 -0.887 10.080 -9.633 1.00 0.00 N ATOM 696 CA GLN A 42 -1.401 11.371 -9.092 1.00 0.00 C ATOM 697 C GLN A 42 -0.314 12.053 -8.257 1.00 0.00 C ATOM 698 O GLN A 42 -0.180 13.261 -8.263 1.00 0.00 O ATOM 699 CB GLN A 42 -2.629 11.109 -8.217 1.00 0.00 C ATOM 700 CG GLN A 42 -3.269 12.444 -7.831 1.00 0.00 C ATOM 701 CD GLN A 42 -4.441 12.196 -6.878 1.00 0.00 C ATOM 702 OE1 GLN A 42 -4.272 11.607 -5.829 1.00 0.00 O ATOM 703 NE2 GLN A 42 -5.629 12.627 -7.201 1.00 0.00 N ATOM 0 H GLN A 42 -1.384 9.247 -9.316 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.678 12.021 -9.921 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.347 10.490 -8.755 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.341 10.558 -7.322 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.530 13.089 -7.355 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.617 12.963 -8.724 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.770 13.121 -8.082 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.417 12.470 -6.573 1.00 0.00 H new ATOM 712 N ALA A 43 0.460 11.291 -7.531 1.00 0.00 N ATOM 713 CA ALA A 43 1.530 11.900 -6.690 1.00 0.00 C ATOM 714 C ALA A 43 2.574 12.571 -7.582 1.00 0.00 C ATOM 715 O ALA A 43 3.692 12.113 -7.703 1.00 0.00 O ATOM 716 CB ALA A 43 2.204 10.815 -5.856 1.00 0.00 C ATOM 0 H ALA A 43 0.397 10.274 -7.484 1.00 0.00 H new ATOM 0 HA ALA A 43 1.084 12.646 -6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.986 11.261 -5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.464 10.339 -5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.644 10.068 -6.517 1.00 0.00 H new ATOM 722 N GLU A 44 2.216 13.658 -8.199 1.00 0.00 N ATOM 723 CA GLU A 44 3.184 14.367 -9.083 1.00 0.00 C ATOM 724 C GLU A 44 4.398 14.802 -8.261 1.00 0.00 C ATOM 725 O GLU A 44 5.505 14.874 -8.757 1.00 0.00 O ATOM 726 CB GLU A 44 2.512 15.602 -9.688 1.00 0.00 C ATOM 727 CG GLU A 44 1.364 15.163 -10.599 1.00 0.00 C ATOM 728 CD GLU A 44 0.734 16.394 -11.253 1.00 0.00 C ATOM 729 OE1 GLU A 44 1.077 17.494 -10.854 1.00 0.00 O ATOM 730 OE2 GLU A 44 -0.081 16.215 -12.144 1.00 0.00 O ATOM 0 H GLU A 44 1.294 14.089 -8.131 1.00 0.00 H new ATOM 0 HA GLU A 44 3.504 13.698 -9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.135 16.249 -8.896 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.239 16.183 -10.255 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.733 14.480 -11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.615 14.621 -10.022 1.00 0.00 H new ATOM 737 N GLY A 45 4.201 15.096 -7.005 1.00 0.00 N ATOM 738 CA GLY A 45 5.340 15.529 -6.150 1.00 0.00 C ATOM 739 C GLY A 45 6.463 14.492 -6.218 1.00 0.00 C ATOM 740 O GLY A 45 7.629 14.826 -6.130 1.00 0.00 O ATOM 0 H GLY A 45 3.297 15.055 -6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.708 16.499 -6.483 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.007 15.651 -5.119 1.00 0.00 H new ATOM 744 N TYR A 46 6.122 13.238 -6.366 1.00 0.00 N ATOM 745 CA TYR A 46 7.172 12.179 -6.433 1.00 0.00 C ATOM 746 C TYR A 46 7.038 11.405 -7.751 1.00 0.00 C ATOM 747 O TYR A 46 5.948 11.147 -8.224 1.00 0.00 O ATOM 748 CB TYR A 46 7.004 11.222 -5.252 1.00 0.00 C ATOM 749 CG TYR A 46 8.187 10.287 -5.192 1.00 0.00 C ATOM 750 CD1 TYR A 46 9.393 10.724 -4.630 1.00 0.00 C ATOM 751 CD2 TYR A 46 8.083 8.987 -5.698 1.00 0.00 C ATOM 752 CE1 TYR A 46 10.493 9.861 -4.572 1.00 0.00 C ATOM 753 CE2 TYR A 46 9.184 8.124 -5.642 1.00 0.00 C ATOM 754 CZ TYR A 46 10.390 8.561 -5.081 1.00 0.00 C ATOM 755 OH TYR A 46 11.473 7.709 -5.025 1.00 0.00 O ATOM 0 H TYR A 46 5.162 12.902 -6.443 1.00 0.00 H new ATOM 0 HA TYR A 46 8.159 12.640 -6.387 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.924 11.785 -4.322 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.081 10.652 -5.360 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.474 11.728 -4.241 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.153 8.649 -6.132 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.421 10.198 -4.135 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.103 7.120 -6.032 1.00 0.00 H new ATOM 0 HH TYR A 46 11.533 7.315 -4.130 1.00 0.00 H new ATOM 765 N SER A 47 8.141 11.038 -8.347 1.00 0.00 N ATOM 766 CA SER A 47 8.089 10.289 -9.638 1.00 0.00 C ATOM 767 C SER A 47 7.653 8.842 -9.389 1.00 0.00 C ATOM 768 O SER A 47 7.778 8.320 -8.300 1.00 0.00 O ATOM 769 CB SER A 47 9.474 10.298 -10.284 1.00 0.00 C ATOM 770 OG SER A 47 9.390 9.725 -11.583 1.00 0.00 O ATOM 0 H SER A 47 9.080 11.225 -7.994 1.00 0.00 H new ATOM 0 HA SER A 47 7.369 10.769 -10.301 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.852 11.319 -10.348 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.178 9.735 -9.671 1.00 0.00 H new ATOM 0 HG SER A 47 10.276 9.731 -12.001 1.00 0.00 H new ATOM 776 N TYR A 48 7.142 8.190 -10.399 1.00 0.00 N ATOM 777 CA TYR A 48 6.696 6.774 -10.238 1.00 0.00 C ATOM 778 C TYR A 48 7.691 5.836 -10.921 1.00 0.00 C ATOM 779 O TYR A 48 8.331 6.192 -11.890 1.00 0.00 O ATOM 780 CB TYR A 48 5.318 6.594 -10.881 1.00 0.00 C ATOM 781 CG TYR A 48 4.256 7.178 -9.982 1.00 0.00 C ATOM 782 CD1 TYR A 48 4.205 8.557 -9.755 1.00 0.00 C ATOM 783 CD2 TYR A 48 3.320 6.333 -9.375 1.00 0.00 C ATOM 784 CE1 TYR A 48 3.217 9.093 -8.920 1.00 0.00 C ATOM 785 CE2 TYR A 48 2.333 6.868 -8.540 1.00 0.00 C ATOM 786 CZ TYR A 48 2.281 8.247 -8.313 1.00 0.00 C ATOM 787 OH TYR A 48 1.308 8.771 -7.486 1.00 0.00 O ATOM 0 H TYR A 48 7.013 8.579 -11.333 1.00 0.00 H new ATOM 0 HA TYR A 48 6.642 6.537 -9.175 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.294 7.084 -11.854 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.121 5.536 -11.052 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.928 9.209 -10.224 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.360 5.268 -9.551 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.177 10.158 -8.744 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.611 6.216 -8.071 1.00 0.00 H new ATOM 0 HH TYR A 48 0.740 8.047 -7.149 1.00 0.00 H new ATOM 797 N THR A 49 7.827 4.636 -10.424 1.00 0.00 N ATOM 798 CA THR A 49 8.779 3.676 -11.048 1.00 0.00 C ATOM 799 C THR A 49 8.320 3.365 -12.474 1.00 0.00 C ATOM 800 O THR A 49 7.159 3.494 -12.806 1.00 0.00 O ATOM 801 CB THR A 49 8.816 2.386 -10.223 1.00 0.00 C ATOM 802 OG1 THR A 49 10.037 1.703 -10.471 1.00 0.00 O ATOM 803 CG2 THR A 49 7.640 1.492 -10.615 1.00 0.00 C ATOM 0 H THR A 49 7.320 4.280 -9.614 1.00 0.00 H new ATOM 0 HA THR A 49 9.777 4.113 -11.076 1.00 0.00 H new ATOM 0 HB THR A 49 8.744 2.630 -9.163 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.064 0.878 -9.943 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.668 0.575 -10.027 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.704 2.017 -10.424 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.708 1.246 -11.675 1.00 0.00 H new ATOM 811 N ASP A 50 9.227 2.971 -13.324 1.00 0.00 N ATOM 812 CA ASP A 50 8.853 2.667 -14.735 1.00 0.00 C ATOM 813 C ASP A 50 7.735 1.619 -14.782 1.00 0.00 C ATOM 814 O ASP A 50 6.876 1.658 -15.640 1.00 0.00 O ATOM 815 CB ASP A 50 10.076 2.131 -15.478 1.00 0.00 C ATOM 816 CG ASP A 50 11.110 3.249 -15.631 1.00 0.00 C ATOM 817 OD1 ASP A 50 10.764 4.391 -15.375 1.00 0.00 O ATOM 818 OD2 ASP A 50 12.232 2.944 -16.001 1.00 0.00 O ATOM 0 H ASP A 50 10.215 2.846 -13.102 1.00 0.00 H new ATOM 0 HA ASP A 50 8.498 3.582 -15.208 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.509 1.293 -14.931 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.783 1.755 -16.458 1.00 0.00 H new ATOM 823 N ALA A 51 7.741 0.676 -13.879 1.00 0.00 N ATOM 824 CA ALA A 51 6.681 -0.374 -13.898 1.00 0.00 C ATOM 825 C ALA A 51 5.299 0.268 -13.754 1.00 0.00 C ATOM 826 O ALA A 51 4.440 0.103 -14.599 1.00 0.00 O ATOM 827 CB ALA A 51 6.908 -1.349 -12.743 1.00 0.00 C ATOM 0 H ALA A 51 8.430 0.587 -13.132 1.00 0.00 H new ATOM 0 HA ALA A 51 6.729 -0.908 -14.847 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.134 -2.116 -12.757 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.886 -1.819 -12.850 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.867 -0.809 -11.797 1.00 0.00 H new ATOM 833 N ASN A 52 5.066 0.992 -12.693 1.00 0.00 N ATOM 834 CA ASN A 52 3.728 1.626 -12.514 1.00 0.00 C ATOM 835 C ASN A 52 3.429 2.534 -13.711 1.00 0.00 C ATOM 836 O ASN A 52 2.324 2.567 -14.213 1.00 0.00 O ATOM 837 CB ASN A 52 3.714 2.453 -11.223 1.00 0.00 C ATOM 838 CG ASN A 52 2.281 2.893 -10.914 1.00 0.00 C ATOM 839 OD1 ASN A 52 1.893 4.000 -11.235 1.00 0.00 O ATOM 840 ND2 ASN A 52 1.472 2.075 -10.294 1.00 0.00 N ATOM 0 H ASN A 52 5.738 1.171 -11.947 1.00 0.00 H new ATOM 0 HA ASN A 52 2.966 0.849 -12.449 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.111 1.863 -10.397 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.358 3.325 -11.330 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.518 2.366 -10.081 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.795 1.146 -10.024 1.00 0.00 H new ATOM 847 N ILE A 53 4.405 3.263 -14.179 1.00 0.00 N ATOM 848 CA ILE A 53 4.171 4.152 -15.345 1.00 0.00 C ATOM 849 C ILE A 53 3.793 3.306 -16.562 1.00 0.00 C ATOM 850 O ILE A 53 2.887 3.636 -17.303 1.00 0.00 O ATOM 851 CB ILE A 53 5.449 4.936 -15.636 1.00 0.00 C ATOM 852 CG1 ILE A 53 5.800 5.803 -14.424 1.00 0.00 C ATOM 853 CG2 ILE A 53 5.231 5.826 -16.853 1.00 0.00 C ATOM 854 CD1 ILE A 53 7.183 6.426 -14.622 1.00 0.00 C ATOM 0 H ILE A 53 5.353 3.279 -13.803 1.00 0.00 H new ATOM 0 HA ILE A 53 3.359 4.846 -15.127 1.00 0.00 H new ATOM 0 HB ILE A 53 6.266 4.243 -15.836 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.052 6.586 -14.295 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.789 5.199 -13.517 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.142 6.386 -17.062 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.979 5.208 -17.715 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.415 6.521 -16.654 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.431 7.043 -13.758 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.926 5.636 -14.729 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.179 7.044 -15.520 1.00 0.00 H new ATOM 866 N LYS A 54 4.477 2.213 -16.772 1.00 0.00 N ATOM 867 CA LYS A 54 4.154 1.343 -17.938 1.00 0.00 C ATOM 868 C LYS A 54 2.709 0.852 -17.819 1.00 0.00 C ATOM 869 O LYS A 54 1.977 0.798 -18.788 1.00 0.00 O ATOM 870 CB LYS A 54 5.095 0.138 -17.948 1.00 0.00 C ATOM 871 CG LYS A 54 4.848 -0.693 -19.208 1.00 0.00 C ATOM 872 CD LYS A 54 5.854 -1.846 -19.272 1.00 0.00 C ATOM 873 CE LYS A 54 5.536 -2.891 -18.195 1.00 0.00 C ATOM 874 NZ LYS A 54 4.072 -3.161 -18.169 1.00 0.00 N ATOM 0 H LYS A 54 5.245 1.886 -16.186 1.00 0.00 H new ATOM 0 HA LYS A 54 4.275 1.911 -18.861 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.132 0.473 -17.918 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.931 -0.472 -17.060 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.831 -1.085 -19.203 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.943 -0.065 -20.094 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.824 -2.309 -20.258 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.865 -1.464 -19.130 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.081 -3.813 -18.398 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.866 -2.533 -17.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.897 -4.083 -17.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.591 -2.416 -17.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.704 -3.173 -19.142 1.00 0.00 H new ATOM 888 N LYS A 55 2.300 0.496 -16.634 1.00 0.00 N ATOM 889 CA LYS A 55 0.906 0.007 -16.432 1.00 0.00 C ATOM 890 C LYS A 55 0.263 0.794 -15.288 1.00 0.00 C ATOM 891 O LYS A 55 0.783 0.852 -14.193 1.00 0.00 O ATOM 892 CB LYS A 55 0.945 -1.485 -16.071 1.00 0.00 C ATOM 893 CG LYS A 55 -0.480 -2.042 -15.933 1.00 0.00 C ATOM 894 CD LYS A 55 -1.063 -2.325 -17.322 1.00 0.00 C ATOM 895 CE LYS A 55 -2.394 -3.063 -17.175 1.00 0.00 C ATOM 896 NZ LYS A 55 -2.283 -4.416 -17.792 1.00 0.00 N ATOM 0 H LYS A 55 2.874 0.523 -15.791 1.00 0.00 H new ATOM 0 HA LYS A 55 0.325 0.146 -17.344 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.485 -2.037 -16.840 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.489 -1.625 -15.137 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.467 -2.957 -15.341 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.110 -1.328 -15.403 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.211 -1.391 -17.863 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.365 -2.925 -17.906 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.658 -3.153 -16.121 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.191 -2.496 -17.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.188 -4.918 -17.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.050 -4.319 -18.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.533 -4.955 -17.314 1.00 0.00 H new ATOM 910 N ASN A 56 -0.868 1.397 -15.533 1.00 0.00 N ATOM 911 CA ASN A 56 -1.538 2.174 -14.452 1.00 0.00 C ATOM 912 C ASN A 56 -2.625 1.309 -13.815 1.00 0.00 C ATOM 913 O ASN A 56 -3.313 0.566 -14.488 1.00 0.00 O ATOM 914 CB ASN A 56 -2.166 3.443 -15.030 1.00 0.00 C ATOM 915 CG ASN A 56 -2.411 4.441 -13.898 1.00 0.00 C ATOM 916 OD1 ASN A 56 -2.847 5.552 -14.134 1.00 0.00 O ATOM 917 ND2 ASN A 56 -2.148 4.091 -12.668 1.00 0.00 N ATOM 0 H ASN A 56 -1.355 1.386 -16.429 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.801 2.456 -13.700 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.507 3.880 -15.781 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.105 3.204 -15.530 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.308 4.749 -11.905 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.782 3.160 -12.470 1.00 0.00 H new ATOM 924 N VAL A 57 -2.774 1.386 -12.521 1.00 0.00 N ATOM 925 CA VAL A 57 -3.803 0.556 -11.835 1.00 0.00 C ATOM 926 C VAL A 57 -4.640 1.428 -10.896 1.00 0.00 C ATOM 927 O VAL A 57 -4.162 2.395 -10.339 1.00 0.00 O ATOM 928 CB VAL A 57 -3.107 -0.531 -11.020 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.283 0.122 -9.909 1.00 0.00 C ATOM 930 CG2 VAL A 57 -4.159 -1.455 -10.403 1.00 0.00 C ATOM 0 H VAL A 57 -2.226 1.990 -11.908 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.456 0.105 -12.582 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.450 -1.112 -11.667 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.784 -0.651 -9.324 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.536 0.782 -10.350 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.941 0.700 -9.260 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.664 -2.232 -9.821 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.815 -0.876 -9.753 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.748 -1.916 -11.196 1.00 0.00 H new ATOM 940 N LEU A 58 -5.886 1.082 -10.711 1.00 0.00 N ATOM 941 CA LEU A 58 -6.755 1.880 -9.800 1.00 0.00 C ATOM 942 C LEU A 58 -6.499 1.434 -8.363 1.00 0.00 C ATOM 943 O LEU A 58 -6.488 0.257 -8.061 1.00 0.00 O ATOM 944 CB LEU A 58 -8.226 1.643 -10.157 1.00 0.00 C ATOM 945 CG LEU A 58 -9.126 2.447 -9.215 1.00 0.00 C ATOM 946 CD1 LEU A 58 -8.899 3.943 -9.434 1.00 0.00 C ATOM 947 CD2 LEU A 58 -10.590 2.111 -9.501 1.00 0.00 C ATOM 0 H LEU A 58 -6.339 0.281 -11.152 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.529 2.941 -9.905 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.411 1.937 -11.190 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.461 0.581 -10.081 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.885 2.192 -8.183 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.542 4.511 -8.761 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.856 4.186 -9.231 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.137 4.200 -10.466 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.232 2.683 -8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.826 2.365 -10.534 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.757 1.046 -9.342 1.00 0.00 H new ATOM 959 N TRP A 59 -6.277 2.362 -7.475 1.00 0.00 N ATOM 960 CA TRP A 59 -6.006 1.980 -6.063 1.00 0.00 C ATOM 961 C TRP A 59 -7.267 2.116 -5.212 1.00 0.00 C ATOM 962 O TRP A 59 -7.885 3.160 -5.140 1.00 0.00 O ATOM 963 CB TRP A 59 -4.903 2.878 -5.505 1.00 0.00 C ATOM 964 CG TRP A 59 -3.614 2.496 -6.150 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.024 3.159 -7.168 1.00 0.00 C ATOM 966 CD2 TRP A 59 -2.756 1.364 -5.844 1.00 0.00 C ATOM 967 NE1 TRP A 59 -1.855 2.502 -7.509 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.646 1.389 -6.718 1.00 0.00 C ATOM 969 CE3 TRP A 59 -2.833 0.329 -4.899 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -0.648 0.418 -6.660 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -1.831 -0.648 -4.835 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.739 -0.604 -5.715 1.00 0.00 C ATOM 0 H TRP A 59 -6.272 3.364 -7.665 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.687 0.938 -6.033 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.130 3.925 -5.703 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -4.834 2.766 -4.423 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.402 4.055 -7.638 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.225 2.803 -8.253 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.670 0.286 -4.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.189 0.456 -7.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -1.899 -1.440 -4.104 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.030 -1.360 -5.661 1.00 0.00 H new ATOM 983 N ASP A 60 -7.629 1.051 -4.552 1.00 0.00 N ATOM 984 CA ASP A 60 -8.826 1.057 -3.671 1.00 0.00 C ATOM 985 C ASP A 60 -8.671 -0.081 -2.656 1.00 0.00 C ATOM 986 O ASP A 60 -7.617 -0.675 -2.545 1.00 0.00 O ATOM 987 CB ASP A 60 -10.095 0.859 -4.507 1.00 0.00 C ATOM 988 CG ASP A 60 -10.057 -0.509 -5.184 1.00 0.00 C ATOM 989 OD1 ASP A 60 -9.202 -1.297 -4.828 1.00 0.00 O ATOM 990 OD2 ASP A 60 -10.884 -0.743 -6.052 1.00 0.00 O ATOM 0 H ASP A 60 -7.134 0.160 -4.588 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.911 2.012 -3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.977 0.936 -3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.174 1.645 -5.258 1.00 0.00 H new ATOM 995 N GLU A 61 -9.692 -0.388 -1.905 1.00 0.00 N ATOM 996 CA GLU A 61 -9.557 -1.483 -0.898 1.00 0.00 C ATOM 997 C GLU A 61 -9.259 -2.819 -1.595 1.00 0.00 C ATOM 998 O GLU A 61 -8.427 -3.587 -1.153 1.00 0.00 O ATOM 999 CB GLU A 61 -10.861 -1.607 -0.111 1.00 0.00 C ATOM 1000 CG GLU A 61 -11.105 -0.322 0.682 1.00 0.00 C ATOM 1001 CD GLU A 61 -12.375 -0.471 1.519 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -13.078 -1.450 1.324 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -12.624 0.394 2.342 1.00 0.00 O ATOM 0 H GLU A 61 -10.605 0.065 -1.942 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.734 -1.244 -0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.692 -1.790 -0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.810 -2.460 0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.253 -0.114 1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.202 0.524 0.002 1.00 0.00 H new ATOM 1010 N ASN A 62 -9.935 -3.108 -2.674 1.00 0.00 N ATOM 1011 CA ASN A 62 -9.693 -4.398 -3.386 1.00 0.00 C ATOM 1012 C ASN A 62 -8.303 -4.409 -4.030 1.00 0.00 C ATOM 1013 O ASN A 62 -7.515 -5.311 -3.823 1.00 0.00 O ATOM 1014 CB ASN A 62 -10.748 -4.572 -4.479 1.00 0.00 C ATOM 1015 CG ASN A 62 -10.529 -5.907 -5.191 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -10.916 -6.946 -4.694 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -9.915 -5.920 -6.342 1.00 0.00 N ATOM 0 H ASN A 62 -10.644 -2.507 -3.094 1.00 0.00 H new ATOM 0 HA ASN A 62 -9.754 -5.213 -2.664 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.747 -4.539 -4.044 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -10.685 -3.752 -5.194 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.759 -6.804 -6.827 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.591 -5.046 -6.757 1.00 0.00 H new ATOM 1024 N ASN A 63 -8.011 -3.422 -4.826 1.00 0.00 N ATOM 1025 CA ASN A 63 -6.692 -3.363 -5.511 1.00 0.00 C ATOM 1026 C ASN A 63 -5.548 -3.395 -4.496 1.00 0.00 C ATOM 1027 O ASN A 63 -4.525 -4.010 -4.724 1.00 0.00 O ATOM 1028 CB ASN A 63 -6.613 -2.075 -6.329 1.00 0.00 C ATOM 1029 CG ASN A 63 -5.368 -2.105 -7.213 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -5.257 -2.927 -8.102 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -4.417 -1.236 -7.004 1.00 0.00 N ATOM 0 H ASN A 63 -8.637 -2.644 -5.034 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.595 -4.231 -6.164 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.506 -1.968 -6.945 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.579 -1.212 -5.664 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.580 -1.246 -7.587 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.511 -0.547 -6.258 1.00 0.00 H new ATOM 1038 N MET A 64 -5.700 -2.735 -3.384 1.00 0.00 N ATOM 1039 CA MET A 64 -4.602 -2.735 -2.377 1.00 0.00 C ATOM 1040 C MET A 64 -4.289 -4.174 -1.966 1.00 0.00 C ATOM 1041 O MET A 64 -3.144 -4.558 -1.832 1.00 0.00 O ATOM 1042 CB MET A 64 -5.036 -1.936 -1.147 1.00 0.00 C ATOM 1043 CG MET A 64 -5.148 -0.457 -1.518 1.00 0.00 C ATOM 1044 SD MET A 64 -3.596 0.384 -1.123 1.00 0.00 S ATOM 1045 CE MET A 64 -4.125 2.048 -1.590 1.00 0.00 C ATOM 0 H MET A 64 -6.529 -2.199 -3.129 1.00 0.00 H new ATOM 0 HA MET A 64 -3.712 -2.278 -2.810 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.994 -2.304 -0.780 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.314 -2.067 -0.341 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.370 -0.353 -2.580 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.972 0.004 -0.974 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.366 2.507 -2.224 1.00 0.00 H new ATOM 0 HE2 MET A 64 -5.067 1.991 -2.136 1.00 0.00 H new ATOM 0 HE3 MET A 64 -4.262 2.652 -0.693 1.00 0.00 H new ATOM 1055 N SER A 65 -5.297 -4.976 -1.770 1.00 0.00 N ATOM 1056 CA SER A 65 -5.049 -6.391 -1.375 1.00 0.00 C ATOM 1057 C SER A 65 -4.351 -7.127 -2.524 1.00 0.00 C ATOM 1058 O SER A 65 -3.549 -8.014 -2.310 1.00 0.00 O ATOM 1059 CB SER A 65 -6.381 -7.075 -1.065 1.00 0.00 C ATOM 1060 OG SER A 65 -7.134 -7.199 -2.265 1.00 0.00 O ATOM 0 H SER A 65 -6.278 -4.715 -1.866 1.00 0.00 H new ATOM 0 HA SER A 65 -4.414 -6.415 -0.489 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.206 -8.058 -0.629 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.939 -6.495 -0.330 1.00 0.00 H new ATOM 0 HG SER A 65 -6.940 -6.439 -2.853 1.00 0.00 H new ATOM 1066 N GLU A 66 -4.654 -6.765 -3.740 1.00 0.00 N ATOM 1067 CA GLU A 66 -4.015 -7.443 -4.904 1.00 0.00 C ATOM 1068 C GLU A 66 -2.519 -7.122 -4.945 1.00 0.00 C ATOM 1069 O GLU A 66 -1.705 -7.956 -5.287 1.00 0.00 O ATOM 1070 CB GLU A 66 -4.674 -6.959 -6.196 1.00 0.00 C ATOM 1071 CG GLU A 66 -4.116 -7.750 -7.382 1.00 0.00 C ATOM 1072 CD GLU A 66 -4.701 -7.201 -8.684 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -5.468 -6.255 -8.613 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -4.373 -7.736 -9.729 1.00 0.00 O ATOM 0 H GLU A 66 -5.317 -6.028 -3.979 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.144 -8.521 -4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.755 -7.088 -6.136 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.487 -5.894 -6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.029 -7.678 -7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.364 -8.806 -7.277 1.00 0.00 H new ATOM 1081 N HIS A 67 -2.147 -5.916 -4.610 1.00 0.00 N ATOM 1082 CA HIS A 67 -0.704 -5.545 -4.642 1.00 0.00 C ATOM 1083 C HIS A 67 0.080 -6.465 -3.707 1.00 0.00 C ATOM 1084 O HIS A 67 1.088 -7.031 -4.076 1.00 0.00 O ATOM 1085 CB HIS A 67 -0.552 -4.092 -4.187 1.00 0.00 C ATOM 1086 CG HIS A 67 0.872 -3.640 -4.365 1.00 0.00 C ATOM 1087 ND1 HIS A 67 1.484 -3.604 -5.609 1.00 0.00 N ATOM 1088 CD2 HIS A 67 1.812 -3.187 -3.472 1.00 0.00 C ATOM 1089 CE1 HIS A 67 2.737 -3.146 -5.434 1.00 0.00 C ATOM 1090 NE2 HIS A 67 2.984 -2.878 -4.151 1.00 0.00 N ATOM 0 H HIS A 67 -2.780 -5.172 -4.316 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.317 -5.652 -5.655 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.220 -3.451 -4.763 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.843 -3.998 -3.141 1.00 0.00 H new ATOM 0 HD1 HIS A 67 1.061 -3.876 -6.496 1.00 0.00 H new ATOM 0 HD2 HIS A 67 1.663 -3.087 -2.407 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.453 -3.012 -6.232 1.00 0.00 H new ATOM 1099 N LEU A 68 -0.382 -6.624 -2.502 1.00 0.00 N ATOM 1100 CA LEU A 68 0.324 -7.514 -1.539 1.00 0.00 C ATOM 1101 C LEU A 68 0.118 -8.976 -1.939 1.00 0.00 C ATOM 1102 O LEU A 68 0.928 -9.828 -1.638 1.00 0.00 O ATOM 1103 CB LEU A 68 -0.223 -7.270 -0.134 1.00 0.00 C ATOM 1104 CG LEU A 68 0.327 -5.944 0.399 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.109 -4.801 -0.517 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.214 -5.693 1.805 1.00 0.00 C ATOM 0 H LEU A 68 -1.222 -6.174 -2.139 1.00 0.00 H new ATOM 0 HA LEU A 68 1.392 -7.295 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.312 -7.243 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.063 -8.088 0.527 1.00 0.00 H new ATOM 0 HG LEU A 68 1.415 -5.994 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.284 -3.859 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.275 -4.974 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.198 -4.754 -0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.179 -4.749 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.303 -5.647 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.095 -6.504 2.464 1.00 0.00 H new ATOM 1118 N THR A 69 -0.962 -9.279 -2.605 1.00 0.00 N ATOM 1119 CA THR A 69 -1.207 -10.691 -3.010 1.00 0.00 C ATOM 1120 C THR A 69 -0.539 -10.962 -4.363 1.00 0.00 C ATOM 1121 O THR A 69 -0.720 -10.227 -5.313 1.00 0.00 O ATOM 1122 CB THR A 69 -2.714 -10.935 -3.128 1.00 0.00 C ATOM 1123 OG1 THR A 69 -3.355 -10.511 -1.933 1.00 0.00 O ATOM 1124 CG2 THR A 69 -2.979 -12.427 -3.345 1.00 0.00 C ATOM 0 H THR A 69 -1.682 -8.613 -2.885 1.00 0.00 H new ATOM 0 HA THR A 69 -0.787 -11.360 -2.259 1.00 0.00 H new ATOM 0 HB THR A 69 -3.106 -10.371 -3.974 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.797 -9.650 -2.087 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.052 -12.598 -3.429 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.487 -12.754 -4.261 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.586 -12.993 -2.500 1.00 0.00 H new ATOM 1132 N ASN A 70 0.225 -12.017 -4.451 1.00 0.00 N ATOM 1133 CA ASN A 70 0.906 -12.359 -5.736 1.00 0.00 C ATOM 1134 C ASN A 70 1.400 -11.086 -6.433 1.00 0.00 C ATOM 1135 O ASN A 70 1.068 -10.829 -7.574 1.00 0.00 O ATOM 1136 CB ASN A 70 -0.078 -13.091 -6.650 1.00 0.00 C ATOM 1137 CG ASN A 70 -0.303 -14.509 -6.125 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -0.818 -15.356 -6.827 1.00 0.00 O ATOM 1139 ND2 ASN A 70 0.065 -14.807 -4.908 1.00 0.00 N ATOM 0 H ASN A 70 0.409 -12.662 -3.683 1.00 0.00 H new ATOM 0 HA ASN A 70 1.762 -12.999 -5.524 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -1.024 -12.552 -6.689 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.311 -13.126 -7.668 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.080 -15.750 -4.548 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.498 -14.097 -4.318 1.00 0.00 H new ATOM 1146 N PRO A 71 2.194 -10.301 -5.755 1.00 0.00 N ATOM 1147 CA PRO A 71 2.754 -9.035 -6.316 1.00 0.00 C ATOM 1148 C PRO A 71 3.574 -9.266 -7.591 1.00 0.00 C ATOM 1149 O PRO A 71 3.829 -8.350 -8.349 1.00 0.00 O ATOM 1150 CB PRO A 71 3.663 -8.494 -5.202 1.00 0.00 C ATOM 1151 CG PRO A 71 3.854 -9.619 -4.238 1.00 0.00 C ATOM 1152 CD PRO A 71 2.638 -10.529 -4.375 1.00 0.00 C ATOM 0 HA PRO A 71 1.956 -8.349 -6.602 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.619 -8.161 -5.607 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.208 -7.634 -4.711 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.772 -10.165 -4.458 1.00 0.00 H new ATOM 0 HG3 PRO A 71 3.943 -9.244 -3.219 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.897 -11.574 -4.204 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.861 -10.272 -3.655 1.00 0.00 H new ATOM 1160 N ALA A 72 4.001 -10.476 -7.829 1.00 0.00 N ATOM 1161 CA ALA A 72 4.819 -10.755 -9.045 1.00 0.00 C ATOM 1162 C ALA A 72 4.025 -10.426 -10.314 1.00 0.00 C ATOM 1163 O ALA A 72 4.563 -9.902 -11.269 1.00 0.00 O ATOM 1164 CB ALA A 72 5.211 -12.234 -9.064 1.00 0.00 C ATOM 0 H ALA A 72 3.819 -11.284 -7.234 1.00 0.00 H new ATOM 0 HA ALA A 72 5.713 -10.132 -9.017 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.809 -12.441 -9.952 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.793 -12.468 -8.172 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.311 -12.849 -9.082 1.00 0.00 H new ATOM 1170 N LYS A 73 2.758 -10.735 -10.344 1.00 0.00 N ATOM 1171 CA LYS A 73 1.953 -10.441 -11.565 1.00 0.00 C ATOM 1172 C LYS A 73 1.309 -9.057 -11.455 1.00 0.00 C ATOM 1173 O LYS A 73 0.534 -8.660 -12.301 1.00 0.00 O ATOM 1174 CB LYS A 73 0.862 -11.498 -11.728 1.00 0.00 C ATOM 1175 CG LYS A 73 1.505 -12.861 -11.984 1.00 0.00 C ATOM 1176 CD LYS A 73 0.414 -13.895 -12.275 1.00 0.00 C ATOM 1177 CE LYS A 73 1.048 -15.277 -12.435 1.00 0.00 C ATOM 1178 NZ LYS A 73 -0.024 -16.311 -12.491 1.00 0.00 N ATOM 0 H LYS A 73 2.246 -11.176 -9.580 1.00 0.00 H new ATOM 0 HA LYS A 73 2.612 -10.458 -12.433 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.244 -11.539 -10.831 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.205 -11.233 -12.556 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.194 -12.797 -12.826 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.089 -13.168 -11.117 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.314 -13.909 -11.464 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.126 -13.624 -13.182 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.648 -15.311 -13.344 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.720 -15.479 -11.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.406 -17.252 -12.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.579 -16.284 -11.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.648 -16.120 -13.301 1.00 0.00 H new ATOM 1192 N TYR A 74 1.613 -8.325 -10.417 1.00 0.00 N ATOM 1193 CA TYR A 74 1.007 -6.969 -10.253 1.00 0.00 C ATOM 1194 C TYR A 74 2.099 -5.900 -10.302 1.00 0.00 C ATOM 1195 O TYR A 74 2.992 -5.876 -9.477 1.00 0.00 O ATOM 1196 CB TYR A 74 0.300 -6.906 -8.901 1.00 0.00 C ATOM 1197 CG TYR A 74 -0.373 -5.565 -8.728 1.00 0.00 C ATOM 1198 CD1 TYR A 74 0.354 -4.476 -8.231 1.00 0.00 C ATOM 1199 CD2 TYR A 74 -1.729 -5.416 -9.040 1.00 0.00 C ATOM 1200 CE1 TYR A 74 -0.274 -3.242 -8.044 1.00 0.00 C ATOM 1201 CE2 TYR A 74 -2.357 -4.177 -8.857 1.00 0.00 C ATOM 1202 CZ TYR A 74 -1.628 -3.092 -8.357 1.00 0.00 C ATOM 1203 OH TYR A 74 -2.244 -1.875 -8.166 1.00 0.00 O ATOM 0 H TYR A 74 2.254 -8.606 -9.675 1.00 0.00 H new ATOM 0 HA TYR A 74 0.295 -6.788 -11.059 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.439 -7.704 -8.831 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.019 -7.067 -8.098 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.401 -4.590 -7.992 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.291 -6.256 -9.422 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.287 -2.404 -7.658 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.402 -4.059 -9.101 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.730 -1.346 -7.521 1.00 0.00 H new ATOM 1213 N ILE A 75 2.022 -5.005 -11.250 1.00 0.00 N ATOM 1214 CA ILE A 75 3.043 -3.921 -11.345 1.00 0.00 C ATOM 1215 C ILE A 75 4.432 -4.490 -11.046 1.00 0.00 C ATOM 1216 O ILE A 75 5.108 -4.058 -10.132 1.00 0.00 O ATOM 1217 CB ILE A 75 2.690 -2.829 -10.328 1.00 0.00 C ATOM 1218 CG1 ILE A 75 1.262 -2.334 -10.595 1.00 0.00 C ATOM 1219 CG2 ILE A 75 3.669 -1.656 -10.437 1.00 0.00 C ATOM 1220 CD1 ILE A 75 1.131 -1.855 -12.045 1.00 0.00 C ATOM 0 H ILE A 75 1.295 -4.978 -11.964 1.00 0.00 H new ATOM 0 HA ILE A 75 3.051 -3.500 -12.350 1.00 0.00 H new ATOM 0 HB ILE A 75 2.758 -3.245 -9.323 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.549 -3.136 -10.403 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.017 -1.521 -9.912 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.403 -0.891 -9.708 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.682 -2.008 -10.240 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.620 -1.233 -11.441 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.114 -1.506 -12.222 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.831 -1.038 -12.223 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.355 -2.679 -12.722 1.00 0.00 H new ATOM 1232 N PRO A 76 4.853 -5.451 -11.820 1.00 0.00 N ATOM 1233 CA PRO A 76 6.187 -6.098 -11.656 1.00 0.00 C ATOM 1234 C PRO A 76 7.335 -5.159 -12.039 1.00 0.00 C ATOM 1235 O PRO A 76 7.204 -4.334 -12.921 1.00 0.00 O ATOM 1236 CB PRO A 76 6.137 -7.295 -12.607 1.00 0.00 C ATOM 1237 CG PRO A 76 5.098 -6.957 -13.624 1.00 0.00 C ATOM 1238 CD PRO A 76 4.097 -6.027 -12.940 1.00 0.00 C ATOM 0 HA PRO A 76 6.375 -6.377 -10.619 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.106 -7.463 -13.077 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.880 -8.210 -12.073 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.548 -6.471 -14.490 1.00 0.00 H new ATOM 0 HG3 PRO A 76 4.603 -7.858 -13.986 1.00 0.00 H new ATOM 0 HD2 PRO A 76 3.741 -5.254 -13.621 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.220 -6.572 -12.591 1.00 0.00 H new ATOM 1246 N GLY A 77 8.461 -5.286 -11.395 1.00 0.00 N ATOM 1247 CA GLY A 77 9.615 -4.407 -11.733 1.00 0.00 C ATOM 1248 C GLY A 77 9.703 -3.244 -10.741 1.00 0.00 C ATOM 1249 O GLY A 77 10.546 -2.378 -10.865 1.00 0.00 O ATOM 0 H GLY A 77 8.632 -5.960 -10.649 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.540 -4.984 -11.711 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.504 -4.022 -12.747 1.00 0.00 H new ATOM 1253 N THR A 78 8.847 -3.212 -9.756 1.00 0.00 N ATOM 1254 CA THR A 78 8.902 -2.101 -8.764 1.00 0.00 C ATOM 1255 C THR A 78 10.079 -2.324 -7.815 1.00 0.00 C ATOM 1256 O THR A 78 10.630 -3.406 -7.735 1.00 0.00 O ATOM 1257 CB THR A 78 7.601 -2.054 -7.957 1.00 0.00 C ATOM 1258 OG1 THR A 78 7.492 -3.231 -7.170 1.00 0.00 O ATOM 1259 CG2 THR A 78 6.405 -1.953 -8.901 1.00 0.00 C ATOM 0 H THR A 78 8.115 -3.904 -9.596 1.00 0.00 H new ATOM 0 HA THR A 78 9.029 -1.157 -9.293 1.00 0.00 H new ATOM 0 HB THR A 78 7.613 -1.180 -7.306 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.661 -3.202 -6.652 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.484 -1.920 -8.319 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.489 -1.046 -9.499 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.387 -2.821 -9.560 1.00 0.00 H new ATOM 1267 N LYS A 79 10.477 -1.307 -7.103 1.00 0.00 N ATOM 1268 CA LYS A 79 11.625 -1.452 -6.164 1.00 0.00 C ATOM 1269 C LYS A 79 11.136 -2.000 -4.822 1.00 0.00 C ATOM 1270 O LYS A 79 11.885 -2.086 -3.870 1.00 0.00 O ATOM 1271 CB LYS A 79 12.264 -0.081 -5.943 1.00 0.00 C ATOM 1272 CG LYS A 79 12.759 0.473 -7.280 1.00 0.00 C ATOM 1273 CD LYS A 79 13.505 1.788 -7.043 1.00 0.00 C ATOM 1274 CE LYS A 79 12.533 2.832 -6.487 1.00 0.00 C ATOM 1275 NZ LYS A 79 12.702 2.931 -5.009 1.00 0.00 N ATOM 0 H LYS A 79 10.056 -0.379 -7.131 1.00 0.00 H new ATOM 0 HA LYS A 79 12.354 -2.142 -6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.540 0.602 -5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.094 -0.164 -5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.417 -0.249 -7.763 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.917 0.636 -7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.327 1.632 -6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.943 2.143 -7.976 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.719 3.801 -6.951 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.507 2.554 -6.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.426 3.882 -4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.101 2.222 -4.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.697 2.758 -4.761 1.00 0.00 H new ATOM 1289 N MET A 80 9.885 -2.362 -4.728 1.00 0.00 N ATOM 1290 CA MET A 80 9.365 -2.890 -3.435 1.00 0.00 C ATOM 1291 C MET A 80 9.608 -4.397 -3.339 1.00 0.00 C ATOM 1292 O MET A 80 9.227 -5.155 -4.209 1.00 0.00 O ATOM 1293 CB MET A 80 7.863 -2.612 -3.335 1.00 0.00 C ATOM 1294 CG MET A 80 7.634 -1.103 -3.304 1.00 0.00 C ATOM 1295 SD MET A 80 5.924 -0.748 -2.829 1.00 0.00 S ATOM 1296 CE MET A 80 5.178 -0.979 -4.461 1.00 0.00 C ATOM 0 H MET A 80 9.204 -2.315 -5.486 1.00 0.00 H new ATOM 0 HA MET A 80 9.888 -2.393 -2.618 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.342 -3.054 -4.184 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.455 -3.073 -2.435 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.321 -0.637 -2.598 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.845 -0.674 -4.284 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.124 -0.702 -4.422 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.692 -0.350 -5.188 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.268 -2.024 -4.758 1.00 0.00 H new ATOM 1306 N ALA A 81 10.231 -4.833 -2.277 1.00 0.00 N ATOM 1307 CA ALA A 81 10.491 -6.288 -2.104 1.00 0.00 C ATOM 1308 C ALA A 81 9.533 -6.839 -1.047 1.00 0.00 C ATOM 1309 O ALA A 81 9.630 -7.979 -0.636 1.00 0.00 O ATOM 1310 CB ALA A 81 11.935 -6.499 -1.646 1.00 0.00 C ATOM 0 H ALA A 81 10.572 -4.240 -1.520 1.00 0.00 H new ATOM 0 HA ALA A 81 10.336 -6.807 -3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.125 -7.565 -1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.617 -6.096 -2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.094 -5.987 -0.697 1.00 0.00 H new ATOM 1316 N PHE A 82 8.607 -6.034 -0.603 1.00 0.00 N ATOM 1317 CA PHE A 82 7.638 -6.498 0.429 1.00 0.00 C ATOM 1318 C PHE A 82 6.293 -6.812 -0.227 1.00 0.00 C ATOM 1319 O PHE A 82 5.787 -6.048 -1.026 1.00 0.00 O ATOM 1320 CB PHE A 82 7.440 -5.405 1.478 1.00 0.00 C ATOM 1321 CG PHE A 82 6.414 -5.866 2.486 1.00 0.00 C ATOM 1322 CD1 PHE A 82 5.057 -5.604 2.263 1.00 0.00 C ATOM 1323 CD2 PHE A 82 6.815 -6.560 3.632 1.00 0.00 C ATOM 1324 CE1 PHE A 82 4.099 -6.035 3.190 1.00 0.00 C ATOM 1325 CE2 PHE A 82 5.858 -6.991 4.559 1.00 0.00 C ATOM 1326 CZ PHE A 82 4.502 -6.728 4.338 1.00 0.00 C ATOM 0 H PHE A 82 8.480 -5.070 -0.912 1.00 0.00 H new ATOM 0 HA PHE A 82 8.030 -7.397 0.905 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.385 -5.187 1.976 1.00 0.00 H new ATOM 0 HB3 PHE A 82 7.110 -4.482 1.001 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.749 -5.070 1.377 1.00 0.00 H new ATOM 0 HD2 PHE A 82 7.862 -6.763 3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 82 3.052 -5.833 3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 82 6.167 -7.526 5.445 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.765 -7.060 5.054 1.00 0.00 H new ATOM 1336 N GLY A 83 5.707 -7.927 0.108 1.00 0.00 N ATOM 1337 CA GLY A 83 4.393 -8.285 -0.491 1.00 0.00 C ATOM 1338 C GLY A 83 4.273 -9.806 -0.585 1.00 0.00 C ATOM 1339 O GLY A 83 5.130 -10.535 -0.128 1.00 0.00 O ATOM 0 H GLY A 83 6.082 -8.606 0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.583 -7.882 0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.300 -7.840 -1.482 1.00 0.00 H new ATOM 1343 N GLY A 84 3.217 -10.291 -1.175 1.00 0.00 N ATOM 1344 CA GLY A 84 3.044 -11.766 -1.299 1.00 0.00 C ATOM 1345 C GLY A 84 2.596 -12.348 0.045 1.00 0.00 C ATOM 1346 O GLY A 84 2.983 -13.437 0.418 1.00 0.00 O ATOM 0 H GLY A 84 2.466 -9.730 -1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.306 -11.992 -2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.981 -12.227 -1.612 1.00 0.00 H new ATOM 1350 N LEU A 85 1.781 -11.633 0.773 1.00 0.00 N ATOM 1351 CA LEU A 85 1.313 -12.154 2.090 1.00 0.00 C ATOM 1352 C LEU A 85 0.141 -13.113 1.871 1.00 0.00 C ATOM 1353 O LEU A 85 -0.693 -12.904 1.016 1.00 0.00 O ATOM 1354 CB LEU A 85 0.843 -10.994 2.973 1.00 0.00 C ATOM 1355 CG LEU A 85 1.968 -9.976 3.149 1.00 0.00 C ATOM 1356 CD1 LEU A 85 1.513 -8.884 4.122 1.00 0.00 C ATOM 1357 CD2 LEU A 85 3.206 -10.674 3.719 1.00 0.00 C ATOM 0 H LEU A 85 1.420 -10.715 0.514 1.00 0.00 H new ATOM 0 HA LEU A 85 2.137 -12.675 2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.025 -10.513 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.529 -11.372 3.946 1.00 0.00 H new ATOM 0 HG LEU A 85 2.212 -9.533 2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.313 -8.155 4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.629 -8.386 3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.272 -9.333 5.086 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.008 -9.947 3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.962 -11.115 4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.530 -11.457 3.034 1.00 0.00 H new ATOM 1369 N LYS A 86 0.068 -14.157 2.650 1.00 0.00 N ATOM 1370 CA LYS A 86 -1.058 -15.120 2.498 1.00 0.00 C ATOM 1371 C LYS A 86 -2.332 -14.477 3.047 1.00 0.00 C ATOM 1372 O LYS A 86 -2.288 -13.720 3.995 1.00 0.00 O ATOM 1373 CB LYS A 86 -0.749 -16.397 3.283 1.00 0.00 C ATOM 1374 CG LYS A 86 -1.809 -17.457 2.975 1.00 0.00 C ATOM 1375 CD LYS A 86 -1.440 -18.777 3.665 1.00 0.00 C ATOM 1376 CE LYS A 86 -1.553 -18.629 5.185 1.00 0.00 C ATOM 1377 NZ LYS A 86 -2.799 -17.888 5.530 1.00 0.00 N ATOM 0 H LYS A 86 0.739 -14.384 3.384 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.193 -15.371 1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.240 -16.769 3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.733 -16.184 4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.786 -17.118 3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.884 -17.607 1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.100 -19.573 3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.424 -19.065 3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.562 -19.612 5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.684 -18.098 5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.061 -18.089 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.638 -16.867 5.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.569 -18.190 4.899 1.00 0.00 H new ATOM 1391 N LYS A 87 -3.465 -14.758 2.462 1.00 0.00 N ATOM 1392 CA LYS A 87 -4.723 -14.141 2.967 1.00 0.00 C ATOM 1393 C LYS A 87 -4.740 -14.212 4.493 1.00 0.00 C ATOM 1394 O LYS A 87 -4.493 -15.247 5.080 1.00 0.00 O ATOM 1395 CB LYS A 87 -5.930 -14.895 2.409 1.00 0.00 C ATOM 1396 CG LYS A 87 -5.978 -14.728 0.890 1.00 0.00 C ATOM 1397 CD LYS A 87 -7.277 -15.334 0.358 1.00 0.00 C ATOM 1398 CE LYS A 87 -7.279 -15.279 -1.171 1.00 0.00 C ATOM 1399 NZ LYS A 87 -7.297 -16.665 -1.718 1.00 0.00 N ATOM 0 H LYS A 87 -3.573 -15.383 1.663 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.771 -13.101 2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.863 -15.952 2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.848 -14.515 2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.921 -13.672 0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.119 -15.218 0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.374 -16.366 0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.134 -14.788 0.753 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.149 -14.726 -1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.397 -14.747 -1.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.298 -16.628 -2.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.454 -17.178 -1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.152 -17.157 -1.388 1.00 0.00 H new ATOM 1413 N GLU A 88 -5.021 -13.116 5.139 1.00 0.00 N ATOM 1414 CA GLU A 88 -5.043 -13.116 6.628 1.00 0.00 C ATOM 1415 C GLU A 88 -5.585 -11.774 7.130 1.00 0.00 C ATOM 1416 O GLU A 88 -5.558 -10.778 6.430 1.00 0.00 O ATOM 1417 CB GLU A 88 -3.618 -13.327 7.151 1.00 0.00 C ATOM 1418 CG GLU A 88 -3.642 -13.528 8.669 1.00 0.00 C ATOM 1419 CD GLU A 88 -2.210 -13.679 9.186 1.00 0.00 C ATOM 1420 OE1 GLU A 88 -1.299 -13.594 8.380 1.00 0.00 O ATOM 1421 OE2 GLU A 88 -2.051 -13.877 10.379 1.00 0.00 O ATOM 0 H GLU A 88 -5.236 -12.220 4.701 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.686 -13.919 6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.169 -14.195 6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.998 -12.466 6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.127 -12.679 9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.226 -14.413 8.920 1.00 0.00 H new ATOM 1428 N LYS A 89 -6.074 -11.736 8.339 1.00 0.00 N ATOM 1429 CA LYS A 89 -6.610 -10.461 8.884 1.00 0.00 C ATOM 1430 C LYS A 89 -5.531 -9.380 8.791 1.00 0.00 C ATOM 1431 O LYS A 89 -5.819 -8.216 8.607 1.00 0.00 O ATOM 1432 CB LYS A 89 -7.011 -10.659 10.347 1.00 0.00 C ATOM 1433 CG LYS A 89 -8.162 -11.664 10.429 1.00 0.00 C ATOM 1434 CD LYS A 89 -8.642 -11.774 11.877 1.00 0.00 C ATOM 1435 CE LYS A 89 -9.714 -12.861 11.980 1.00 0.00 C ATOM 1436 NZ LYS A 89 -9.264 -13.913 12.934 1.00 0.00 N ATOM 0 H LYS A 89 -6.125 -12.534 8.972 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.484 -10.156 8.309 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.159 -11.018 10.923 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.313 -9.707 10.784 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.983 -11.346 9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.834 -12.639 10.069 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.804 -12.012 12.532 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.045 -10.818 12.211 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.655 -12.428 12.317 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.898 -13.299 10.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.992 -14.652 13.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.376 -14.333 12.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.109 -13.489 13.871 1.00 0.00 H new ATOM 1450 N ASP A 90 -4.285 -9.757 8.917 1.00 0.00 N ATOM 1451 CA ASP A 90 -3.195 -8.749 8.834 1.00 0.00 C ATOM 1452 C ASP A 90 -3.304 -7.997 7.508 1.00 0.00 C ATOM 1453 O ASP A 90 -3.134 -6.795 7.451 1.00 0.00 O ATOM 1454 CB ASP A 90 -1.843 -9.461 8.903 1.00 0.00 C ATOM 1455 CG ASP A 90 -1.653 -10.063 10.295 1.00 0.00 C ATOM 1456 OD1 ASP A 90 -2.435 -9.737 11.173 1.00 0.00 O ATOM 1457 OD2 ASP A 90 -0.729 -10.843 10.461 1.00 0.00 O ATOM 0 H ASP A 90 -3.979 -10.717 9.073 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.281 -8.045 9.662 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.794 -10.244 8.147 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.039 -8.758 8.686 1.00 0.00 H new ATOM 1462 N ARG A 91 -3.591 -8.692 6.441 1.00 0.00 N ATOM 1463 CA ARG A 91 -3.714 -8.008 5.126 1.00 0.00 C ATOM 1464 C ARG A 91 -4.845 -6.983 5.194 1.00 0.00 C ATOM 1465 O ARG A 91 -4.698 -5.854 4.769 1.00 0.00 O ATOM 1466 CB ARG A 91 -4.029 -9.038 4.041 1.00 0.00 C ATOM 1467 CG ARG A 91 -4.041 -8.355 2.672 1.00 0.00 C ATOM 1468 CD ARG A 91 -4.505 -9.350 1.608 1.00 0.00 C ATOM 1469 NE ARG A 91 -3.591 -10.525 1.594 1.00 0.00 N ATOM 1470 CZ ARG A 91 -3.863 -11.553 0.838 1.00 0.00 C ATOM 1471 NH1 ARG A 91 -4.931 -11.550 0.089 1.00 0.00 N ATOM 1472 NH2 ARG A 91 -3.065 -12.587 0.832 1.00 0.00 N ATOM 0 H ARG A 91 -3.745 -9.700 6.424 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.776 -7.506 4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.285 -9.834 4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.996 -9.502 4.236 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.705 -7.491 2.691 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.045 -7.986 2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.525 -9.672 1.817 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.515 -8.872 0.628 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.753 -10.526 2.175 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.555 -10.743 0.094 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.142 -12.355 -0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.230 -12.590 1.418 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.277 -13.391 0.241 1.00 0.00 H new ATOM 1486 N ASN A 92 -5.973 -7.366 5.727 1.00 0.00 N ATOM 1487 CA ASN A 92 -7.109 -6.409 5.825 1.00 0.00 C ATOM 1488 C ASN A 92 -6.762 -5.294 6.810 1.00 0.00 C ATOM 1489 O ASN A 92 -7.058 -4.138 6.581 1.00 0.00 O ATOM 1490 CB ASN A 92 -8.355 -7.151 6.306 1.00 0.00 C ATOM 1491 CG ASN A 92 -8.813 -8.135 5.231 1.00 0.00 C ATOM 1492 OD1 ASN A 92 -8.355 -8.084 4.108 1.00 0.00 O ATOM 1493 ND2 ASN A 92 -9.712 -9.034 5.526 1.00 0.00 N ATOM 0 H ASN A 92 -6.156 -8.298 6.098 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.301 -5.972 4.845 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.139 -7.684 7.232 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.152 -6.440 6.526 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.028 -9.692 4.814 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.098 -9.079 6.469 1.00 0.00 H new ATOM 1500 N ASP A 93 -6.140 -5.626 7.908 1.00 0.00 N ATOM 1501 CA ASP A 93 -5.781 -4.585 8.904 1.00 0.00 C ATOM 1502 C ASP A 93 -4.799 -3.594 8.279 1.00 0.00 C ATOM 1503 O ASP A 93 -4.883 -2.402 8.495 1.00 0.00 O ATOM 1504 CB ASP A 93 -5.135 -5.250 10.117 1.00 0.00 C ATOM 1505 CG ASP A 93 -6.168 -6.121 10.833 1.00 0.00 C ATOM 1506 OD1 ASP A 93 -7.343 -5.979 10.534 1.00 0.00 O ATOM 1507 OD2 ASP A 93 -5.768 -6.913 11.671 1.00 0.00 O ATOM 0 H ASP A 93 -5.866 -6.577 8.156 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.680 -4.052 9.215 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.287 -5.858 9.803 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.749 -4.492 10.798 1.00 0.00 H new ATOM 1512 N LEU A 94 -3.862 -4.076 7.506 1.00 0.00 N ATOM 1513 CA LEU A 94 -2.878 -3.154 6.875 1.00 0.00 C ATOM 1514 C LEU A 94 -3.618 -2.123 6.022 1.00 0.00 C ATOM 1515 O LEU A 94 -3.333 -0.943 6.072 1.00 0.00 O ATOM 1516 CB LEU A 94 -1.922 -3.958 5.992 1.00 0.00 C ATOM 1517 CG LEU A 94 -0.864 -3.024 5.406 1.00 0.00 C ATOM 1518 CD1 LEU A 94 -0.015 -2.443 6.535 1.00 0.00 C ATOM 1519 CD2 LEU A 94 0.035 -3.812 4.452 1.00 0.00 C ATOM 0 H LEU A 94 -3.737 -5.064 7.286 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.311 -2.640 7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.445 -4.745 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.475 -4.447 5.190 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.354 -2.214 4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.740 -1.777 6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.653 -1.884 7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.475 -3.253 7.075 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.791 -3.148 4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.524 -4.620 4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.568 -4.230 3.646 1.00 0.00 H new ATOM 1531 N ILE A 95 -4.575 -2.555 5.248 1.00 0.00 N ATOM 1532 CA ILE A 95 -5.337 -1.593 4.405 1.00 0.00 C ATOM 1533 C ILE A 95 -6.157 -0.680 5.318 1.00 0.00 C ATOM 1534 O ILE A 95 -6.269 0.508 5.094 1.00 0.00 O ATOM 1535 CB ILE A 95 -6.272 -2.363 3.478 1.00 0.00 C ATOM 1536 CG1 ILE A 95 -5.448 -3.314 2.604 1.00 0.00 C ATOM 1537 CG2 ILE A 95 -7.028 -1.376 2.588 1.00 0.00 C ATOM 1538 CD1 ILE A 95 -6.387 -4.208 1.795 1.00 0.00 C ATOM 0 H ILE A 95 -4.861 -3.530 5.163 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.650 -0.995 3.806 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.985 -2.938 4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.805 -2.743 1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.796 -3.925 3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.697 -1.923 1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.610 -0.697 3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.316 -0.803 1.994 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.800 -4.884 1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.011 -4.789 2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.021 -3.589 1.160 1.00 0.00 H new ATOM 1550 N THR A 96 -6.732 -1.241 6.343 1.00 0.00 N ATOM 1551 CA THR A 96 -7.554 -0.438 7.284 1.00 0.00 C ATOM 1552 C THR A 96 -6.707 0.691 7.878 1.00 0.00 C ATOM 1553 O THR A 96 -7.171 1.801 8.049 1.00 0.00 O ATOM 1554 CB THR A 96 -8.051 -1.343 8.412 1.00 0.00 C ATOM 1555 OG1 THR A 96 -8.594 -2.533 7.856 1.00 0.00 O ATOM 1556 CG2 THR A 96 -9.131 -0.617 9.213 1.00 0.00 C ATOM 0 H THR A 96 -6.666 -2.233 6.570 1.00 0.00 H new ATOM 0 HA THR A 96 -8.402 -0.009 6.750 1.00 0.00 H new ATOM 0 HB THR A 96 -7.219 -1.593 9.071 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.880 -3.193 7.735 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.484 -1.263 10.017 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.716 0.297 9.638 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.964 -0.366 8.556 1.00 0.00 H new ATOM 1564 N TYR A 97 -5.470 0.419 8.203 1.00 0.00 N ATOM 1565 CA TYR A 97 -4.608 1.483 8.796 1.00 0.00 C ATOM 1566 C TYR A 97 -4.487 2.654 7.817 1.00 0.00 C ATOM 1567 O TYR A 97 -4.733 3.791 8.168 1.00 0.00 O ATOM 1568 CB TYR A 97 -3.219 0.914 9.088 1.00 0.00 C ATOM 1569 CG TYR A 97 -2.381 1.964 9.776 1.00 0.00 C ATOM 1570 CD1 TYR A 97 -2.523 2.185 11.151 1.00 0.00 C ATOM 1571 CD2 TYR A 97 -1.461 2.716 9.037 1.00 0.00 C ATOM 1572 CE1 TYR A 97 -1.744 3.160 11.788 1.00 0.00 C ATOM 1573 CE2 TYR A 97 -0.682 3.690 9.672 1.00 0.00 C ATOM 1574 CZ TYR A 97 -0.823 3.913 11.047 1.00 0.00 C ATOM 1575 OH TYR A 97 -0.057 4.873 11.675 1.00 0.00 O ATOM 0 H TYR A 97 -5.021 -0.489 8.084 1.00 0.00 H new ATOM 0 HA TYR A 97 -5.058 1.835 9.725 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.302 0.029 9.718 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.740 0.601 8.160 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -3.233 1.604 11.721 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.352 2.545 7.976 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.853 3.331 12.849 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.028 4.270 9.101 1.00 0.00 H new ATOM 0 HH TYR A 97 0.531 5.303 11.019 1.00 0.00 H new ATOM 1585 N LEU A 98 -4.133 2.390 6.588 1.00 0.00 N ATOM 1586 CA LEU A 98 -4.028 3.497 5.600 1.00 0.00 C ATOM 1587 C LEU A 98 -5.425 4.051 5.351 1.00 0.00 C ATOM 1588 O LEU A 98 -5.618 5.236 5.156 1.00 0.00 O ATOM 1589 CB LEU A 98 -3.446 2.968 4.288 1.00 0.00 C ATOM 1590 CG LEU A 98 -2.012 2.489 4.515 1.00 0.00 C ATOM 1591 CD1 LEU A 98 -1.453 1.925 3.209 1.00 0.00 C ATOM 1592 CD2 LEU A 98 -1.151 3.669 4.966 1.00 0.00 C ATOM 0 H LEU A 98 -3.914 1.461 6.229 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.374 4.280 5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.058 2.148 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.462 3.751 3.530 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.002 1.714 5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.430 1.583 3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.069 1.088 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.460 2.702 2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.128 3.331 5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.160 4.441 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.551 4.077 5.894 1.00 0.00 H new ATOM 1604 N LYS A 99 -6.403 3.192 5.361 1.00 0.00 N ATOM 1605 CA LYS A 99 -7.799 3.640 5.133 1.00 0.00 C ATOM 1606 C LYS A 99 -8.169 4.687 6.187 1.00 0.00 C ATOM 1607 O LYS A 99 -8.791 5.689 5.893 1.00 0.00 O ATOM 1608 CB LYS A 99 -8.728 2.435 5.275 1.00 0.00 C ATOM 1609 CG LYS A 99 -10.132 2.807 4.811 1.00 0.00 C ATOM 1610 CD LYS A 99 -11.085 1.639 5.073 1.00 0.00 C ATOM 1611 CE LYS A 99 -12.482 1.999 4.568 1.00 0.00 C ATOM 1612 NZ LYS A 99 -13.362 0.799 4.641 1.00 0.00 N ATOM 0 H LYS A 99 -6.292 2.190 5.519 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.896 4.073 4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.349 1.601 4.685 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.754 2.105 6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.477 3.696 5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.122 3.050 3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.725 0.742 4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.118 1.415 6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.900 2.807 5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.427 2.361 3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.313 1.084 4.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.422 0.355 3.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.966 0.119 5.321 1.00 0.00 H new ATOM 1626 N LYS A 100 -7.790 4.456 7.414 1.00 0.00 N ATOM 1627 CA LYS A 100 -8.112 5.425 8.499 1.00 0.00 C ATOM 1628 C LYS A 100 -7.470 6.779 8.190 1.00 0.00 C ATOM 1629 O LYS A 100 -8.053 7.820 8.413 1.00 0.00 O ATOM 1630 CB LYS A 100 -7.560 4.894 9.819 1.00 0.00 C ATOM 1631 CG LYS A 100 -7.989 5.811 10.962 1.00 0.00 C ATOM 1632 CD LYS A 100 -7.339 5.326 12.257 1.00 0.00 C ATOM 1633 CE LYS A 100 -7.937 6.081 13.446 1.00 0.00 C ATOM 1634 NZ LYS A 100 -9.247 5.471 13.813 1.00 0.00 N ATOM 0 H LYS A 100 -7.268 3.632 7.713 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.193 5.548 8.570 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.924 3.882 9.996 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.472 4.838 9.773 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.691 6.838 10.753 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -9.075 5.807 11.061 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.498 4.254 12.376 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.261 5.485 12.217 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.255 6.043 14.295 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.071 7.133 13.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.892 6.213 14.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.660 5.008 12.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.104 4.766 14.564 1.00 0.00 H new ATOM 1648 N ALA A 101 -6.270 6.767 7.684 1.00 0.00 N ATOM 1649 CA ALA A 101 -5.583 8.050 7.366 1.00 0.00 C ATOM 1650 C ALA A 101 -6.450 8.867 6.408 1.00 0.00 C ATOM 1651 O ALA A 101 -6.491 10.080 6.475 1.00 0.00 O ATOM 1652 CB ALA A 101 -4.232 7.756 6.709 1.00 0.00 C ATOM 0 H ALA A 101 -5.734 5.924 7.476 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.424 8.616 8.284 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.729 8.694 6.476 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.614 7.173 7.392 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.389 7.191 5.790 1.00 0.00 H new ATOM 1658 N THR A 102 -7.149 8.218 5.519 1.00 0.00 N ATOM 1659 CA THR A 102 -8.015 8.966 4.565 1.00 0.00 C ATOM 1660 C THR A 102 -9.198 9.565 5.326 1.00 0.00 C ATOM 1661 O THR A 102 -9.812 10.519 4.890 1.00 0.00 O ATOM 1662 CB THR A 102 -8.531 8.012 3.486 1.00 0.00 C ATOM 1663 OG1 THR A 102 -9.346 7.016 4.086 1.00 0.00 O ATOM 1664 CG2 THR A 102 -7.349 7.352 2.780 1.00 0.00 C ATOM 0 H THR A 102 -7.158 7.204 5.412 1.00 0.00 H new ATOM 0 HA THR A 102 -7.439 9.763 4.095 1.00 0.00 H new ATOM 0 HB THR A 102 -9.119 8.570 2.758 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.969 6.764 4.955 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.717 6.673 2.011 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.727 8.119 2.318 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.758 6.793 3.505 1.00 0.00 H new ATOM 1672 N GLU A 103 -9.525 9.011 6.462 1.00 0.00 N ATOM 1673 CA GLU A 103 -10.668 9.546 7.253 1.00 0.00 C ATOM 1674 C GLU A 103 -10.512 11.059 7.415 1.00 0.00 C ATOM 1675 O GLU A 103 -9.572 11.535 8.018 1.00 0.00 O ATOM 1676 CB GLU A 103 -10.685 8.884 8.633 1.00 0.00 C ATOM 1677 CG GLU A 103 -11.942 9.314 9.390 1.00 0.00 C ATOM 1678 CD GLU A 103 -11.910 8.732 10.803 1.00 0.00 C ATOM 1679 OE1 GLU A 103 -10.938 8.069 11.128 1.00 0.00 O ATOM 1680 OE2 GLU A 103 -12.857 8.960 11.539 1.00 0.00 O ATOM 0 H GLU A 103 -9.049 8.210 6.876 1.00 0.00 H new ATOM 0 HA GLU A 103 -11.602 9.331 6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.664 7.799 8.528 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.795 9.167 9.195 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.999 10.402 9.434 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.832 8.970 8.863 1.00 0.00 H new TER 1687 GLU A 103 HETATM 1688 FE HEC A 201 5.495 1.305 -1.607 1.00 0.00 FE HETATM 1689 CHA HEC A 201 4.770 2.882 -4.513 1.00 0.00 C HETATM 1690 CHB HEC A 201 2.239 0.468 -1.258 1.00 0.00 C HETATM 1691 CHC HEC A 201 6.205 -0.241 1.310 1.00 0.00 C HETATM 1692 CHD HEC A 201 8.761 2.096 -1.993 1.00 0.00 C HETATM 1693 NA HEC A 201 3.866 1.613 -2.649 1.00 0.00 N HETATM 1694 C1A HEC A 201 3.733 2.288 -3.842 1.00 0.00 C HETATM 1695 C2A HEC A 201 2.369 2.271 -4.314 1.00 0.00 C HETATM 1696 C3A HEC A 201 1.644 1.666 -3.344 1.00 0.00 C HETATM 1697 C4A HEC A 201 2.586 1.206 -2.358 1.00 0.00 C HETATM 1698 CMA HEC A 201 0.164 1.710 -3.185 1.00 0.00 C HETATM 1699 CAA HEC A 201 1.921 2.543 -5.711 1.00 0.00 C HETATM 1700 CBA HEC A 201 2.077 4.019 -6.091 1.00 0.00 C HETATM 1701 CGA HEC A 201 0.699 4.651 -6.303 1.00 0.00 C HETATM 1702 O1A HEC A 201 0.521 5.785 -5.890 1.00 0.00 O HETATM 1703 O2A HEC A 201 -0.151 3.995 -6.880 1.00 0.00 O HETATM 1704 NB HEC A 201 4.452 0.315 -0.275 1.00 0.00 N HETATM 1705 C1B HEC A 201 3.105 0.043 -0.283 1.00 0.00 C HETATM 1706 C2B HEC A 201 2.703 -0.737 0.860 1.00 0.00 C HETATM 1707 C3B HEC A 201 3.809 -0.827 1.663 1.00 0.00 C HETATM 1708 C4B HEC A 201 4.895 -0.246 0.901 1.00 0.00 C HETATM 1709 CMB HEC A 201 1.485 -1.599 0.906 1.00 0.00 C HETATM 1710 CAB HEC A 201 3.849 -1.089 3.147 1.00 0.00 C HETATM 1711 CBB HEC A 201 2.658 -1.872 3.704 1.00 0.00 C HETATM 1712 NC HEC A 201 7.123 0.995 -0.570 1.00 0.00 N HETATM 1713 C1C HEC A 201 7.250 0.325 0.624 1.00 0.00 C HETATM 1714 C2C HEC A 201 8.622 0.260 1.056 1.00 0.00 C HETATM 1715 C3C HEC A 201 9.334 1.001 0.178 1.00 0.00 C HETATM 1716 C4C HEC A 201 8.412 1.393 -0.865 1.00 0.00 C HETATM 1717 CMC HEC A 201 9.189 -0.713 2.029 1.00 0.00 C HETATM 1718 CAC HEC A 201 10.709 1.533 0.411 1.00 0.00 C HETATM 1719 CBC HEC A 201 11.807 0.502 0.140 1.00 0.00 C HETATM 1720 ND HEC A 201 6.532 2.287 -2.944 1.00 0.00 N HETATM 1721 C1D HEC A 201 7.889 2.513 -2.966 1.00 0.00 C HETATM 1722 C2D HEC A 201 8.290 3.217 -4.156 1.00 0.00 C HETATM 1723 C3D HEC A 201 7.155 3.524 -4.818 1.00 0.00 C HETATM 1724 C4D HEC A 201 6.078 2.887 -4.099 1.00 0.00 C HETATM 1725 CMD HEC A 201 9.666 3.275 -4.721 1.00 0.00 C HETATM 1726 CAD HEC A 201 7.025 4.523 -5.915 1.00 0.00 C HETATM 1727 CBD HEC A 201 7.162 3.887 -7.298 1.00 0.00 C HETATM 1728 CGD HEC A 201 5.780 3.763 -7.941 1.00 0.00 C HETATM 1729 O1D HEC A 201 5.349 4.722 -8.559 1.00 0.00 O HETATM 1730 O2D HEC A 201 5.176 2.712 -7.804 1.00 0.00 O HETATM 0 HMD3 HEC A 201 10.341 3.718 -3.989 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 10.003 2.267 -4.962 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 9.662 3.882 -5.626 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 8.681 -0.607 2.988 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 9.048 -1.727 1.654 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 10.254 -0.519 2.159 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 0.599 -0.987 0.737 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 1.551 -2.364 0.132 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 1.414 -2.077 1.883 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 -0.157 2.743 -3.054 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 -0.310 1.292 -4.073 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 -0.126 1.127 -2.311 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 7.814 4.494 -7.926 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 7.625 2.904 -7.214 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 11.670 -0.357 0.797 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 11.752 0.176 -0.899 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 12.782 0.951 0.328 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 1.738 -1.320 3.512 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 2.604 -2.847 3.219 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 2.782 -2.008 4.778 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 2.614 4.551 -5.305 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 2.672 4.109 -7.000 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 6.057 5.018 -5.840 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 7.787 5.293 -5.794 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 2.498 1.929 -6.402 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 0.877 2.250 -5.820 1.00 0.00 H new HETATM 0 HHD HEC A 201 9.815 2.342 -2.125 1.00 0.00 H new HETATM 0 HHC HEC A 201 6.434 -0.727 2.258 1.00 0.00 H new HETATM 0 HHB HEC A 201 1.189 0.196 -1.148 1.00 0.00 H new HETATM 0 HHA HEC A 201 4.537 3.390 -5.449 1.00 0.00 H new