USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 883 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC H2D : A 104 HEC O2D : A 104 HEC CGD :(short bond) USER MOD Set 1.1: A 63 ASN :FLIP amide:sc= 0.91 F(o=-0.79!,f=1.8) USER MOD Set 1.2: A 74 TYR OH : rot 130:sc= 0.862 USER MOD Set 2.1: A -5 THR N :NH3+ -157:sc= 1.18 (180deg=0.0302) USER MOD Set 2.2: A 62 ASN : amide:sc= -0.147 K(o=1,f=-4.8) USER MOD Set 3.1: A 46 TYR OH : rot -90:sc= 0.655 USER MOD Set 3.2: A 79 LYS NZ :NH3+ -145:sc= 0.582 (180deg=0.269) USER MOD Set 4.1: A 40 SER OG : rot 102:sc= 1.7 USER MOD Set 4.2: A 52 ASN : amide:sc= 1.34 K(o=3,f=-5.3!) USER MOD Set 5.1: A 19 THR OG1 : rot 59:sc= 0.177 USER MOD Set 5.2: A 31 ASN : amide:sc= 1.97 K(o=2.1,f=-5.4!) 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+ -172:sc= 0 (180deg=-0.0342) USER MOD Single : A 8 THR OG1 : rot 2:sc= 1.21 USER MOD Single : A -2 LYS NZ :NH3+ -163:sc= 0.453 (180deg=-0.106) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.0262 USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= -0.0222 (180deg=-0.226) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.826 K(o=0.83,f=-0.13) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -1.95 K(o=-2,f=-3.8!) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.13) USER MOD Single : A 33 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-4.2!) USER MOD Single : A 39 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.34) USER MOD Single : A 42 GLN : amide:sc= 1.04 K(o=1,f=-6.1!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 120:sc= 1.28 USER MOD Single : A 49 THR OG1 : rot -81:sc= 1.24 USER MOD Single : A 54 LYS NZ :NH3+ 127:sc= 1.22 (180deg=-0.412) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 1.29 (180deg=1.13) USER MOD Single : A 56 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.01) USER MOD Single : A 64 MET CE :methyl -148:sc= -0.496 (180deg=-1.41) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -132:sc= 0.119 USER MOD Single : A 69 THR OG1 : rot 82:sc= 0.344 USER MOD Single : A 70 ASN : amide:sc= 0.749 K(o=0.75,f=-4.8!) USER MOD Single : A 72 LYS NZ :NH3+ -148:sc= 0.347 (180deg=-1.06!) USER MOD Single : A 73 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0152) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.237 USER MOD Single : A 80 MET CE :methyl -176:sc= -0.708 (180deg=-0.841) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 96 THR OG1 : rot 80:sc= 1.7 USER MOD Single : A 97 TYR OH : rot 160:sc= -0.169 USER MOD Single : A 99 LYS NZ :NH3+ 176:sc= -0.258 (180deg=-0.364) USER MOD Single : A 100 LYS NZ :NH3+ -172:sc= 0.405 (180deg=-0.413) USER MOD Single : A 102 THR OG1 : rot -33:sc= 0.493 USER MOD Single : A 104 HEC O2A : rot -75:sc= 0.7 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -7.682 -8.909 12.030 1.00 0.00 N ATOM 2 CA THR A -5 -8.590 -9.813 12.775 1.00 0.00 C ATOM 3 C THR A -5 -9.287 -10.826 11.881 1.00 0.00 C ATOM 4 O THR A -5 -8.927 -11.989 11.947 1.00 0.00 O ATOM 5 CB THR A -5 -9.575 -9.023 13.631 1.00 0.00 C ATOM 6 OG1 THR A -5 -8.796 -8.108 14.356 1.00 0.00 O ATOM 7 CG2 THR A -5 -10.338 -9.882 14.637 1.00 0.00 C ATOM 0 H1 THR A -5 -6.966 -8.524 12.679 1.00 0.00 H new ATOM 0 H2 THR A -5 -7.211 -9.440 11.270 1.00 0.00 H new ATOM 0 H3 THR A -5 -8.231 -8.128 11.618 1.00 0.00 H new ATOM 0 HA THR A -5 -7.965 -10.400 13.448 1.00 0.00 H new ATOM 0 HB THR A -5 -10.320 -8.568 12.978 1.00 0.00 H new ATOM 0 HG1 THR A -5 -9.377 -7.565 14.929 1.00 0.00 H new ATOM 0 HG21 THR A -5 -11.019 -9.253 15.210 1.00 0.00 H new ATOM 0 HG22 THR A -5 -10.908 -10.644 14.106 1.00 0.00 H new ATOM 0 HG23 THR A -5 -9.632 -10.363 15.314 1.00 0.00 H new ATOM 17 N GLU A -4 -10.214 -10.430 11.002 1.00 0.00 N ATOM 18 CA GLU A -4 -10.904 -11.309 10.056 1.00 0.00 C ATOM 19 C GLU A -4 -10.985 -10.532 8.744 1.00 0.00 C ATOM 20 O GLU A -4 -11.808 -9.636 8.565 1.00 0.00 O ATOM 21 CB GLU A -4 -12.302 -11.782 10.514 1.00 0.00 C ATOM 22 CG GLU A -4 -12.769 -12.902 9.555 1.00 0.00 C ATOM 23 CD GLU A -4 -14.266 -13.244 9.600 1.00 0.00 C ATOM 24 OE1 GLU A -4 -15.125 -12.334 9.692 1.00 0.00 O ATOM 25 OE2 GLU A -4 -14.618 -14.412 9.318 1.00 0.00 O ATOM 0 H GLU A -4 -10.513 -9.458 10.928 1.00 0.00 H new ATOM 0 HA GLU A -4 -10.341 -12.238 9.960 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -12.262 -12.151 11.539 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -13.008 -10.951 10.501 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -12.513 -12.611 8.536 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -12.203 -13.806 9.780 1.00 0.00 H new ATOM 32 N PHE A -3 -10.038 -10.831 7.864 1.00 0.00 N ATOM 33 CA PHE A -3 -10.105 -10.519 6.433 1.00 0.00 C ATOM 34 C PHE A -3 -11.359 -11.143 5.782 1.00 0.00 C ATOM 35 O PHE A -3 -11.316 -12.192 5.142 1.00 0.00 O ATOM 36 CB PHE A -3 -8.800 -10.937 5.730 1.00 0.00 C ATOM 37 CG PHE A -3 -8.786 -10.697 4.229 1.00 0.00 C ATOM 38 CD1 PHE A -3 -9.193 -9.454 3.706 1.00 0.00 C ATOM 39 CD2 PHE A -3 -8.402 -11.726 3.346 1.00 0.00 C ATOM 40 CE1 PHE A -3 -9.288 -9.271 2.319 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.457 -11.524 1.956 1.00 0.00 C ATOM 42 CZ PHE A -3 -8.928 -10.304 1.441 1.00 0.00 C ATOM 0 H PHE A -3 -9.177 -11.310 8.128 1.00 0.00 H new ATOM 0 HA PHE A -3 -10.204 -9.440 6.314 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -7.970 -10.392 6.180 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -8.625 -11.996 5.917 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -9.432 -8.640 4.375 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -8.064 -12.674 3.739 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.640 -8.329 1.925 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -8.137 -12.306 1.284 1.00 0.00 H new ATOM 0 HZ PHE A -3 -9.012 -10.162 0.374 1.00 0.00 H new ATOM 52 N LYS A -2 -12.503 -10.482 5.971 1.00 0.00 N ATOM 53 CA LYS A -2 -13.774 -10.757 5.293 1.00 0.00 C ATOM 54 C LYS A -2 -13.706 -10.241 3.851 1.00 0.00 C ATOM 55 O LYS A -2 -14.217 -9.166 3.542 1.00 0.00 O ATOM 56 CB LYS A -2 -14.915 -10.133 6.113 1.00 0.00 C ATOM 57 CG LYS A -2 -16.325 -10.557 5.651 1.00 0.00 C ATOM 58 CD LYS A -2 -17.011 -11.516 6.636 1.00 0.00 C ATOM 59 CE LYS A -2 -16.295 -12.868 6.725 1.00 0.00 C ATOM 60 NZ LYS A -2 -16.718 -13.614 7.931 1.00 0.00 N ATOM 0 H LYS A -2 -12.573 -9.706 6.629 1.00 0.00 H new ATOM 0 HA LYS A -2 -13.968 -11.828 5.230 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -14.789 -10.408 7.160 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -14.837 -9.047 6.057 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -16.944 -9.668 5.526 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -16.254 -11.036 4.675 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -17.041 -11.058 7.624 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -18.044 -11.674 6.326 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -16.511 -13.457 5.834 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -15.217 -12.711 6.750 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -16.033 -14.371 8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -16.761 -12.966 8.743 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -17.658 -14.030 7.770 1.00 0.00 H new ATOM 74 N ALA A -1 -13.012 -11.006 3.011 1.00 0.00 N ATOM 75 CA ALA A -1 -12.703 -10.684 1.616 1.00 0.00 C ATOM 76 C ALA A -1 -13.940 -10.317 0.770 1.00 0.00 C ATOM 77 O ALA A -1 -15.052 -10.763 1.059 1.00 0.00 O ATOM 78 CB ALA A -1 -11.974 -11.889 1.008 1.00 0.00 C ATOM 0 H ALA A -1 -12.632 -11.909 3.295 1.00 0.00 H new ATOM 0 HA ALA A -1 -12.078 -9.791 1.607 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -11.730 -11.679 -0.033 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -11.056 -12.078 1.565 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -12.617 -12.767 1.060 1.00 0.00 H new ATOM 84 N GLY A 1 -13.717 -9.563 -0.312 1.00 0.00 N ATOM 85 CA GLY A 1 -14.769 -9.116 -1.230 1.00 0.00 C ATOM 86 C GLY A 1 -14.443 -9.427 -2.690 1.00 0.00 C ATOM 87 O GLY A 1 -14.362 -10.587 -3.092 1.00 0.00 O ATOM 0 H GLY A 1 -12.786 -9.242 -0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.710 -9.596 -0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.915 -8.042 -1.115 1.00 0.00 H new ATOM 91 N SER A 2 -14.220 -8.391 -3.498 1.00 0.00 N ATOM 92 CA SER A 2 -13.969 -8.515 -4.933 1.00 0.00 C ATOM 93 C SER A 2 -12.758 -7.704 -5.379 1.00 0.00 C ATOM 94 O SER A 2 -12.707 -6.475 -5.277 1.00 0.00 O ATOM 95 CB SER A 2 -15.207 -8.103 -5.721 1.00 0.00 C ATOM 96 OG SER A 2 -14.982 -8.318 -7.106 1.00 0.00 O ATOM 0 H SER A 2 -14.209 -7.426 -3.168 1.00 0.00 H new ATOM 0 HA SER A 2 -13.745 -9.562 -5.136 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.071 -8.679 -5.389 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.435 -7.053 -5.538 1.00 0.00 H new ATOM 0 HG SER A 2 -15.779 -8.054 -7.612 1.00 0.00 H new ATOM 102 N ALA A 3 -11.789 -8.397 -5.987 1.00 0.00 N ATOM 103 CA ALA A 3 -10.600 -7.767 -6.558 1.00 0.00 C ATOM 104 C ALA A 3 -10.933 -6.672 -7.594 1.00 0.00 C ATOM 105 O ALA A 3 -10.196 -5.698 -7.703 1.00 0.00 O ATOM 106 CB ALA A 3 -9.696 -8.856 -7.153 1.00 0.00 C ATOM 0 H ALA A 3 -11.810 -9.411 -6.096 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.072 -7.250 -5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.806 -8.396 -7.582 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.402 -9.553 -6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.238 -9.393 -7.932 1.00 0.00 H new ATOM 112 N LYS A 4 -12.063 -6.770 -8.314 1.00 0.00 N ATOM 113 CA LYS A 4 -12.493 -5.727 -9.266 1.00 0.00 C ATOM 114 C LYS A 4 -13.132 -4.500 -8.609 1.00 0.00 C ATOM 115 O LYS A 4 -13.043 -3.396 -9.139 1.00 0.00 O ATOM 116 CB LYS A 4 -13.388 -6.346 -10.355 1.00 0.00 C ATOM 117 CG LYS A 4 -13.543 -5.413 -11.568 1.00 0.00 C ATOM 118 CD LYS A 4 -14.284 -6.098 -12.724 1.00 0.00 C ATOM 119 CE LYS A 4 -14.358 -5.148 -13.926 1.00 0.00 C ATOM 120 NZ LYS A 4 -15.034 -5.780 -15.089 1.00 0.00 N ATOM 0 H LYS A 4 -12.700 -7.565 -8.255 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.590 -5.335 -9.734 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.962 -7.295 -10.679 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.371 -6.564 -9.937 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.086 -4.516 -11.269 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.558 -5.092 -11.907 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.769 -7.016 -13.005 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.289 -6.380 -12.409 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.895 -4.243 -13.641 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.351 -4.845 -14.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -15.064 -5.107 -15.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.508 -6.630 -15.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.004 -6.047 -14.824 1.00 0.00 H new ATOM 134 N LYS A 5 -13.728 -4.690 -7.438 1.00 0.00 N ATOM 135 CA LYS A 5 -14.286 -3.628 -6.581 1.00 0.00 C ATOM 136 C LYS A 5 -13.151 -2.812 -5.962 1.00 0.00 C ATOM 137 O LYS A 5 -13.089 -1.601 -6.185 1.00 0.00 O ATOM 138 CB LYS A 5 -15.225 -4.244 -5.528 1.00 0.00 C ATOM 139 CG LYS A 5 -16.227 -3.282 -4.869 1.00 0.00 C ATOM 140 CD LYS A 5 -15.615 -2.074 -4.139 1.00 0.00 C ATOM 141 CE LYS A 5 -16.533 -1.505 -3.049 1.00 0.00 C ATOM 142 NZ LYS A 5 -17.890 -1.194 -3.558 1.00 0.00 N ATOM 0 H LYS A 5 -13.845 -5.620 -7.036 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.886 -2.940 -7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.784 -5.053 -5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.614 -4.693 -4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.906 -2.912 -5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.829 -3.846 -4.157 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.667 -2.370 -3.690 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -15.394 -1.292 -4.865 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -16.610 -2.222 -2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -16.086 -0.600 -2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.428 -0.689 -2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.814 -0.596 -4.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.381 -2.078 -3.801 1.00 0.00 H new ATOM 156 N GLY A 6 -12.228 -3.478 -5.264 1.00 0.00 N ATOM 157 CA GLY A 6 -10.982 -2.876 -4.780 1.00 0.00 C ATOM 158 C GLY A 6 -10.199 -2.143 -5.871 1.00 0.00 C ATOM 159 O GLY A 6 -9.736 -1.028 -5.631 1.00 0.00 O ATOM 0 H GLY A 6 -12.326 -4.463 -5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.213 -2.177 -3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.352 -3.656 -4.352 1.00 0.00 H new ATOM 163 N ALA A 7 -10.127 -2.705 -7.088 1.00 0.00 N ATOM 164 CA ALA A 7 -9.581 -2.012 -8.258 1.00 0.00 C ATOM 165 C ALA A 7 -10.283 -0.667 -8.511 1.00 0.00 C ATOM 166 O ALA A 7 -9.621 0.369 -8.576 1.00 0.00 O ATOM 167 CB ALA A 7 -9.649 -2.899 -9.508 1.00 0.00 C ATOM 0 H ALA A 7 -10.447 -3.653 -7.285 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.534 -1.800 -8.041 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.237 -2.359 -10.360 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.071 -3.808 -9.341 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.687 -3.161 -9.712 1.00 0.00 H new ATOM 173 N THR A 8 -11.618 -0.653 -8.649 1.00 0.00 N ATOM 174 CA THR A 8 -12.374 0.597 -8.876 1.00 0.00 C ATOM 175 C THR A 8 -12.238 1.642 -7.761 1.00 0.00 C ATOM 176 O THR A 8 -12.330 2.827 -8.073 1.00 0.00 O ATOM 177 CB THR A 8 -13.862 0.349 -9.181 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.481 -0.532 -8.276 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.045 -0.262 -10.570 1.00 0.00 C ATOM 0 H THR A 8 -12.199 -1.490 -8.608 1.00 0.00 H new ATOM 0 HA THR A 8 -11.898 1.019 -9.761 1.00 0.00 H new ATOM 0 HB THR A 8 -14.325 1.333 -9.105 1.00 0.00 H new ATOM 0 HG1 THR A 8 -13.837 -0.801 -7.588 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.106 -0.426 -10.758 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.644 0.417 -11.322 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.516 -1.213 -10.622 1.00 0.00 H new ATOM 187 N LEU A 9 -11.962 1.237 -6.513 1.00 0.00 N ATOM 188 CA LEU A 9 -11.594 2.143 -5.417 1.00 0.00 C ATOM 189 C LEU A 9 -10.176 2.681 -5.612 1.00 0.00 C ATOM 190 O LEU A 9 -9.969 3.883 -5.760 1.00 0.00 O ATOM 191 CB LEU A 9 -11.695 1.418 -4.065 1.00 0.00 C ATOM 192 CG LEU A 9 -13.140 1.291 -3.580 1.00 0.00 C ATOM 193 CD1 LEU A 9 -13.209 0.198 -2.515 1.00 0.00 C ATOM 194 CD2 LEU A 9 -13.664 2.594 -2.970 1.00 0.00 C ATOM 0 H LEU A 9 -11.989 0.256 -6.233 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.290 2.982 -5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.256 0.424 -4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.111 1.959 -3.321 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.759 1.048 -4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.235 0.099 -2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.879 -0.749 -2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.562 0.463 -1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.693 2.453 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.045 2.871 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.627 3.386 -3.718 1.00 0.00 H new ATOM 206 N PHE A 10 -9.188 1.783 -5.639 1.00 0.00 N ATOM 207 CA PHE A 10 -7.764 2.073 -5.821 1.00 0.00 C ATOM 208 C PHE A 10 -7.513 3.073 -6.959 1.00 0.00 C ATOM 209 O PHE A 10 -6.730 4.011 -6.791 1.00 0.00 O ATOM 210 CB PHE A 10 -7.013 0.753 -6.053 1.00 0.00 C ATOM 211 CG PHE A 10 -5.542 0.914 -6.388 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.585 0.987 -5.363 1.00 0.00 C ATOM 213 CD2 PHE A 10 -5.120 0.937 -7.732 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.222 1.147 -5.677 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.749 1.020 -8.038 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.800 1.148 -7.014 1.00 0.00 C ATOM 0 H PHE A 10 -9.369 0.785 -5.529 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.387 2.551 -4.917 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.103 0.137 -5.158 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.500 0.211 -6.864 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.895 0.920 -4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.849 0.891 -8.528 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.498 1.269 -4.885 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.426 0.985 -9.068 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.751 1.247 -7.253 1.00 0.00 H new ATOM 226 N LYS A 11 -8.229 2.914 -8.084 1.00 0.00 N ATOM 227 CA LYS A 11 -8.142 3.726 -9.312 1.00 0.00 C ATOM 228 C LYS A 11 -8.282 5.236 -9.071 1.00 0.00 C ATOM 229 O LYS A 11 -7.668 6.011 -9.802 1.00 0.00 O ATOM 230 CB LYS A 11 -9.171 3.170 -10.316 1.00 0.00 C ATOM 231 CG LYS A 11 -9.046 3.681 -11.762 1.00 0.00 C ATOM 232 CD LYS A 11 -9.882 4.938 -12.060 1.00 0.00 C ATOM 233 CE LYS A 11 -9.939 5.253 -13.561 1.00 0.00 C ATOM 234 NZ LYS A 11 -10.692 4.217 -14.315 1.00 0.00 N ATOM 0 H LYS A 11 -8.925 2.173 -8.167 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.138 3.638 -9.727 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.088 2.083 -10.327 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.170 3.409 -9.952 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.998 3.897 -11.970 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.349 2.886 -12.444 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.894 4.797 -11.681 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.458 5.789 -11.528 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.409 6.225 -13.711 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.926 5.325 -13.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.928 4.579 -15.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.108 3.362 -14.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.568 3.984 -13.805 1.00 0.00 H new ATOM 248 N THR A 12 -9.026 5.652 -8.043 1.00 0.00 N ATOM 249 CA THR A 12 -9.155 7.059 -7.607 1.00 0.00 C ATOM 250 C THR A 12 -8.784 7.329 -6.152 1.00 0.00 C ATOM 251 O THR A 12 -8.615 8.490 -5.789 1.00 0.00 O ATOM 252 CB THR A 12 -10.553 7.624 -7.915 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.552 6.753 -7.441 1.00 0.00 O ATOM 254 CG2 THR A 12 -10.790 7.798 -9.415 1.00 0.00 C ATOM 0 H THR A 12 -9.573 5.008 -7.471 1.00 0.00 H new ATOM 0 HA THR A 12 -8.408 7.586 -8.200 1.00 0.00 H new ATOM 0 HB THR A 12 -10.602 8.594 -7.421 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.435 7.127 -7.643 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.790 8.199 -9.581 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.050 8.487 -9.823 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.699 6.832 -9.912 1.00 0.00 H new ATOM 262 N ARG A 13 -8.568 6.300 -5.323 1.00 0.00 N ATOM 263 CA ARG A 13 -8.061 6.455 -3.953 1.00 0.00 C ATOM 264 C ARG A 13 -6.534 6.577 -3.893 1.00 0.00 C ATOM 265 O ARG A 13 -6.024 7.438 -3.182 1.00 0.00 O ATOM 266 CB ARG A 13 -8.505 5.263 -3.082 1.00 0.00 C ATOM 267 CG ARG A 13 -10.015 5.111 -2.819 1.00 0.00 C ATOM 268 CD ARG A 13 -10.575 6.146 -1.839 1.00 0.00 C ATOM 269 NE ARG A 13 -11.689 5.588 -1.048 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.398 6.219 -0.135 1.00 0.00 C ATOM 271 NH1 ARG A 13 -12.270 7.500 0.080 1.00 0.00 N ATOM 272 NH2 ARG A 13 -13.237 5.575 0.617 1.00 0.00 N ATOM 0 H ARG A 13 -8.741 5.330 -5.586 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.483 7.384 -3.571 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.150 4.347 -3.555 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.000 5.341 -2.119 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.550 5.193 -3.765 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.208 4.112 -2.429 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.783 6.482 -1.169 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.920 7.022 -2.389 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.935 4.614 -1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.604 8.045 -0.468 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.836 7.956 0.796 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.353 4.568 0.505 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.780 6.076 1.320 1.00 0.00 H new ATOM 286 N CYS A 14 -5.812 5.709 -4.603 1.00 0.00 N ATOM 287 CA CYS A 14 -4.380 5.455 -4.396 1.00 0.00 C ATOM 288 C CYS A 14 -3.543 5.676 -5.664 1.00 0.00 C ATOM 289 O CYS A 14 -2.412 6.158 -5.579 1.00 0.00 O ATOM 290 CB CYS A 14 -4.167 4.003 -3.951 1.00 0.00 C ATOM 291 SG CYS A 14 -5.342 3.235 -2.779 1.00 0.00 S ATOM 0 H CYS A 14 -6.213 5.149 -5.355 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.053 6.164 -3.635 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.152 3.386 -4.849 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.174 3.941 -3.505 1.00 0.00 H new ATOM 296 N LEU A 15 -4.086 5.358 -6.853 1.00 0.00 N ATOM 297 CA LEU A 15 -3.367 5.418 -8.134 1.00 0.00 C ATOM 298 C LEU A 15 -2.814 6.825 -8.459 1.00 0.00 C ATOM 299 O LEU A 15 -1.777 6.967 -9.105 1.00 0.00 O ATOM 300 CB LEU A 15 -4.297 4.887 -9.242 1.00 0.00 C ATOM 301 CG LEU A 15 -3.592 4.637 -10.591 1.00 0.00 C ATOM 302 CD1 LEU A 15 -2.819 3.320 -10.625 1.00 0.00 C ATOM 303 CD2 LEU A 15 -4.620 4.595 -11.725 1.00 0.00 C ATOM 0 H LEU A 15 -5.053 5.047 -6.950 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.482 4.786 -8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.752 3.956 -8.904 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.107 5.600 -9.394 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.888 5.460 -10.717 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.345 3.201 -11.599 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.054 3.327 -9.848 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.505 2.491 -10.452 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.110 4.418 -12.672 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.332 3.791 -11.541 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.150 5.546 -11.771 1.00 0.00 H new ATOM 315 N GLN A 16 -3.432 7.880 -7.910 1.00 0.00 N ATOM 316 CA GLN A 16 -2.908 9.251 -7.932 1.00 0.00 C ATOM 317 C GLN A 16 -1.430 9.359 -7.483 1.00 0.00 C ATOM 318 O GLN A 16 -0.708 10.221 -7.989 1.00 0.00 O ATOM 319 CB GLN A 16 -3.842 10.177 -7.127 1.00 0.00 C ATOM 320 CG GLN A 16 -3.948 9.844 -5.624 1.00 0.00 C ATOM 321 CD GLN A 16 -4.965 10.722 -4.886 1.00 0.00 C ATOM 322 OE1 GLN A 16 -5.113 11.904 -5.150 1.00 0.00 O ATOM 323 NE2 GLN A 16 -5.696 10.205 -3.921 1.00 0.00 N ATOM 0 H GLN A 16 -4.328 7.802 -7.429 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.898 9.582 -8.970 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.492 11.204 -7.233 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.839 10.133 -7.565 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.229 8.797 -5.508 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.969 9.964 -5.161 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.595 9.220 -3.677 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.363 10.790 -3.417 1.00 0.00 H new ATOM 332 N CYS A 17 -0.954 8.452 -6.624 1.00 0.00 N ATOM 333 CA CYS A 17 0.419 8.400 -6.104 1.00 0.00 C ATOM 334 C CYS A 17 1.200 7.127 -6.457 1.00 0.00 C ATOM 335 O CYS A 17 2.431 7.137 -6.342 1.00 0.00 O ATOM 336 CB CYS A 17 0.382 8.522 -4.583 1.00 0.00 C ATOM 337 SG CYS A 17 -0.219 10.117 -3.962 1.00 0.00 S ATOM 0 H CYS A 17 -1.539 7.702 -6.256 1.00 0.00 H new ATOM 0 HA CYS A 17 0.941 9.229 -6.583 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.253 7.730 -4.184 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.386 8.352 -4.194 1.00 0.00 H new ATOM 342 N HIS A 18 0.520 6.047 -6.862 1.00 0.00 N ATOM 343 CA HIS A 18 1.061 4.687 -7.001 1.00 0.00 C ATOM 344 C HIS A 18 0.758 4.028 -8.353 1.00 0.00 C ATOM 345 O HIS A 18 -0.067 4.490 -9.135 1.00 0.00 O ATOM 346 CB HIS A 18 0.469 3.812 -5.883 1.00 0.00 C ATOM 347 CG HIS A 18 1.130 4.008 -4.554 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.465 3.823 -4.295 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.508 4.292 -3.371 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.649 3.988 -2.980 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.480 4.273 -2.372 1.00 0.00 N ATOM 0 H HIS A 18 -0.467 6.099 -7.113 1.00 0.00 H new ATOM 0 HA HIS A 18 2.146 4.771 -6.933 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.594 4.031 -5.786 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.554 2.764 -6.170 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.186 3.600 -4.981 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.544 4.494 -3.235 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.601 3.905 -2.476 1.00 0.00 H new ATOM 359 N THR A 19 1.372 2.869 -8.588 1.00 0.00 N ATOM 360 CA THR A 19 1.107 1.988 -9.735 1.00 0.00 C ATOM 361 C THR A 19 0.791 0.562 -9.286 1.00 0.00 C ATOM 362 O THR A 19 1.123 0.173 -8.165 1.00 0.00 O ATOM 363 CB THR A 19 2.294 1.983 -10.701 1.00 0.00 C ATOM 364 OG1 THR A 19 3.471 1.579 -10.046 1.00 0.00 O ATOM 365 CG2 THR A 19 2.541 3.364 -11.305 1.00 0.00 C ATOM 0 H THR A 19 2.093 2.501 -7.967 1.00 0.00 H new ATOM 0 HA THR A 19 0.232 2.382 -10.252 1.00 0.00 H new ATOM 0 HB THR A 19 2.041 1.281 -11.495 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.348 0.680 -9.677 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.392 3.317 -11.985 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.655 3.685 -11.854 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.752 4.077 -10.508 1.00 0.00 H new ATOM 373 N VAL A 20 0.173 -0.206 -10.187 1.00 0.00 N ATOM 374 CA VAL A 20 -0.201 -1.617 -9.984 1.00 0.00 C ATOM 375 C VAL A 20 0.551 -2.570 -10.919 1.00 0.00 C ATOM 376 O VAL A 20 0.801 -3.710 -10.551 1.00 0.00 O ATOM 377 CB VAL A 20 -1.730 -1.786 -10.117 1.00 0.00 C ATOM 378 CG1 VAL A 20 -2.245 -1.583 -11.549 1.00 0.00 C ATOM 379 CG2 VAL A 20 -2.182 -3.148 -9.589 1.00 0.00 C ATOM 0 H VAL A 20 -0.091 0.143 -11.108 1.00 0.00 H new ATOM 0 HA VAL A 20 0.097 -1.891 -8.972 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.167 -0.996 -9.507 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.327 -1.716 -11.569 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.997 -0.576 -11.885 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.777 -2.312 -12.211 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.263 -3.239 -9.695 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.694 -3.939 -10.158 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.912 -3.238 -8.537 1.00 0.00 H new ATOM 389 N GLU A 21 0.944 -2.111 -12.109 1.00 0.00 N ATOM 390 CA GLU A 21 1.529 -2.971 -13.143 1.00 0.00 C ATOM 391 C GLU A 21 3.038 -3.187 -12.966 1.00 0.00 C ATOM 392 O GLU A 21 3.770 -2.373 -12.391 1.00 0.00 O ATOM 393 CB GLU A 21 1.304 -2.390 -14.549 1.00 0.00 C ATOM 394 CG GLU A 21 -0.121 -1.916 -14.883 1.00 0.00 C ATOM 395 CD GLU A 21 -1.110 -3.072 -15.089 1.00 0.00 C ATOM 396 OE1 GLU A 21 -1.012 -4.063 -14.332 1.00 0.00 O ATOM 397 OE2 GLU A 21 -1.950 -2.944 -16.006 1.00 0.00 O ATOM 0 H GLU A 21 0.866 -1.132 -12.384 1.00 0.00 H new ATOM 0 HA GLU A 21 1.020 -3.928 -13.034 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.982 -1.547 -14.681 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.590 -3.147 -15.279 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.482 -1.276 -14.078 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.092 -1.306 -15.786 1.00 0.00 H new ATOM 404 N LYS A 22 3.556 -4.255 -13.575 1.00 0.00 N ATOM 405 CA LYS A 22 4.977 -4.601 -13.607 1.00 0.00 C ATOM 406 C LYS A 22 5.769 -3.597 -14.456 1.00 0.00 C ATOM 407 O LYS A 22 5.592 -3.532 -15.664 1.00 0.00 O ATOM 408 CB LYS A 22 5.081 -6.039 -14.134 1.00 0.00 C ATOM 409 CG LYS A 22 6.193 -6.826 -13.434 1.00 0.00 C ATOM 410 CD LYS A 22 5.980 -8.321 -13.705 1.00 0.00 C ATOM 411 CE LYS A 22 6.765 -9.237 -12.752 1.00 0.00 C ATOM 412 NZ LYS A 22 8.229 -8.987 -12.755 1.00 0.00 N ATOM 0 H LYS A 22 2.976 -4.927 -14.078 1.00 0.00 H new ATOM 0 HA LYS A 22 5.418 -4.548 -12.612 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.129 -6.549 -13.988 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.271 -6.019 -15.207 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.169 -6.510 -13.802 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.178 -6.630 -12.362 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.917 -8.549 -13.622 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.274 -8.541 -14.731 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.385 -9.104 -11.739 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.582 -10.276 -13.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.694 -9.639 -12.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.605 -9.141 -13.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.414 -8.006 -12.464 1.00 0.00 H new ATOM 426 N GLY A 23 6.637 -2.808 -13.824 1.00 0.00 N ATOM 427 CA GLY A 23 7.361 -1.703 -14.477 1.00 0.00 C ATOM 428 C GLY A 23 6.725 -0.321 -14.267 1.00 0.00 C ATOM 429 O GLY A 23 7.264 0.674 -14.742 1.00 0.00 O ATOM 0 H GLY A 23 6.864 -2.914 -12.835 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.383 -1.681 -14.100 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.420 -1.904 -15.547 1.00 0.00 H new ATOM 433 N GLY A 24 5.608 -0.248 -13.536 1.00 0.00 N ATOM 434 CA GLY A 24 5.003 0.993 -13.049 1.00 0.00 C ATOM 435 C GLY A 24 6.013 1.945 -12.370 1.00 0.00 C ATOM 436 O GLY A 24 6.630 1.543 -11.376 1.00 0.00 O ATOM 0 H GLY A 24 5.084 -1.078 -13.259 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.533 1.511 -13.885 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.212 0.749 -12.340 1.00 0.00 H new ATOM 440 N PRO A 25 6.208 3.178 -12.889 1.00 0.00 N ATOM 441 CA PRO A 25 7.219 4.106 -12.381 1.00 0.00 C ATOM 442 C PRO A 25 6.872 4.673 -10.998 1.00 0.00 C ATOM 443 O PRO A 25 5.735 5.044 -10.707 1.00 0.00 O ATOM 444 CB PRO A 25 7.331 5.214 -13.432 1.00 0.00 C ATOM 445 CG PRO A 25 5.950 5.225 -14.080 1.00 0.00 C ATOM 446 CD PRO A 25 5.560 3.748 -14.063 1.00 0.00 C ATOM 0 HA PRO A 25 8.168 3.590 -12.232 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.570 6.176 -12.978 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.115 5.001 -14.159 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.244 5.837 -13.518 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.981 5.624 -15.094 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.478 3.630 -14.008 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.889 3.246 -14.973 1.00 0.00 H new ATOM 454 N HIS A 26 7.899 4.761 -10.150 1.00 0.00 N ATOM 455 CA HIS A 26 7.863 5.229 -8.763 1.00 0.00 C ATOM 456 C HIS A 26 7.599 6.747 -8.663 1.00 0.00 C ATOM 457 O HIS A 26 8.525 7.548 -8.535 1.00 0.00 O ATOM 458 CB HIS A 26 9.197 4.848 -8.103 1.00 0.00 C ATOM 459 CG HIS A 26 9.611 3.400 -8.230 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.795 2.294 -8.131 1.00 0.00 N ATOM 461 CD2 HIS A 26 10.893 2.949 -8.404 1.00 0.00 C ATOM 462 CE1 HIS A 26 9.585 1.208 -8.178 1.00 0.00 C ATOM 463 NE2 HIS A 26 10.862 1.559 -8.336 1.00 0.00 N ATOM 0 H HIS A 26 8.840 4.489 -10.433 1.00 0.00 H new ATOM 0 HA HIS A 26 7.033 4.751 -8.242 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.983 5.469 -8.534 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.139 5.097 -7.043 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.768 3.561 -8.565 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.234 0.190 -8.099 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.662 0.930 -8.396 1.00 0.00 H new ATOM 471 N LYS A 27 6.329 7.140 -8.790 1.00 0.00 N ATOM 472 CA LYS A 27 5.869 8.530 -8.933 1.00 0.00 C ATOM 473 C LYS A 27 5.984 9.343 -7.632 1.00 0.00 C ATOM 474 O LYS A 27 6.967 10.052 -7.440 1.00 0.00 O ATOM 475 CB LYS A 27 4.448 8.481 -9.516 1.00 0.00 C ATOM 476 CG LYS A 27 3.881 9.865 -9.858 1.00 0.00 C ATOM 477 CD LYS A 27 2.371 9.750 -10.076 1.00 0.00 C ATOM 478 CE LYS A 27 1.774 11.124 -10.372 1.00 0.00 C ATOM 479 NZ LYS A 27 0.299 11.034 -10.426 1.00 0.00 N ATOM 0 H LYS A 27 5.558 6.472 -8.797 1.00 0.00 H new ATOM 0 HA LYS A 27 6.521 9.074 -9.617 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.454 7.866 -10.416 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.787 7.992 -8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.092 10.567 -9.051 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.361 10.257 -10.755 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.167 9.071 -10.904 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.900 9.324 -9.190 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.075 11.834 -9.602 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.159 11.500 -11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.094 11.949 -10.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.021 10.297 -11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.069 10.793 -9.484 1.00 0.00 H new ATOM 493 N VAL A 28 4.958 9.304 -6.778 1.00 0.00 N ATOM 494 CA VAL A 28 4.986 9.945 -5.449 1.00 0.00 C ATOM 495 C VAL A 28 5.535 8.927 -4.454 1.00 0.00 C ATOM 496 O VAL A 28 6.472 9.215 -3.712 1.00 0.00 O ATOM 497 CB VAL A 28 3.595 10.450 -5.015 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.655 11.221 -3.690 1.00 0.00 C ATOM 499 CG2 VAL A 28 2.957 11.379 -6.056 1.00 0.00 C ATOM 0 H VAL A 28 4.080 8.827 -6.984 1.00 0.00 H new ATOM 0 HA VAL A 28 5.625 10.827 -5.487 1.00 0.00 H new ATOM 0 HB VAL A 28 2.990 9.550 -4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.655 11.559 -3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.041 10.569 -2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.312 12.084 -3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.980 11.706 -5.701 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.597 12.248 -6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.841 10.844 -6.998 1.00 0.00 H new ATOM 509 N GLY A 29 4.989 7.707 -4.509 1.00 0.00 N ATOM 510 CA GLY A 29 5.509 6.511 -3.856 1.00 0.00 C ATOM 511 C GLY A 29 6.007 5.465 -4.864 1.00 0.00 C ATOM 512 O GLY A 29 5.963 5.693 -6.078 1.00 0.00 O ATOM 0 H GLY A 29 4.134 7.523 -5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.327 6.789 -3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.729 6.071 -3.235 1.00 0.00 H new ATOM 516 N PRO A 30 6.482 4.311 -4.367 1.00 0.00 N ATOM 517 CA PRO A 30 6.972 3.209 -5.191 1.00 0.00 C ATOM 518 C PRO A 30 5.845 2.477 -5.941 1.00 0.00 C ATOM 519 O PRO A 30 4.673 2.832 -5.861 1.00 0.00 O ATOM 520 CB PRO A 30 7.682 2.284 -4.197 1.00 0.00 C ATOM 521 CG PRO A 30 6.840 2.459 -2.939 1.00 0.00 C ATOM 522 CD PRO A 30 6.517 3.945 -2.960 1.00 0.00 C ATOM 0 HA PRO A 30 7.632 3.564 -5.983 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.693 1.249 -4.539 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.719 2.577 -4.037 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.938 1.848 -2.967 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.389 2.176 -2.041 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.561 4.146 -2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.272 4.519 -2.423 1.00 0.00 H new ATOM 530 N ASN A 31 6.208 1.418 -6.669 1.00 0.00 N ATOM 531 CA ASN A 31 5.245 0.456 -7.211 1.00 0.00 C ATOM 532 C ASN A 31 4.714 -0.472 -6.088 1.00 0.00 C ATOM 533 O ASN A 31 5.309 -0.531 -5.013 1.00 0.00 O ATOM 534 CB ASN A 31 5.950 -0.304 -8.349 1.00 0.00 C ATOM 535 CG ASN A 31 5.002 -0.997 -9.316 1.00 0.00 C ATOM 536 OD1 ASN A 31 3.799 -1.064 -9.133 1.00 0.00 O ATOM 537 ND2 ASN A 31 5.508 -1.500 -10.409 1.00 0.00 N ATOM 0 H ASN A 31 7.178 1.203 -6.899 1.00 0.00 H new ATOM 0 HA ASN A 31 4.363 0.953 -7.616 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.573 0.395 -8.907 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.617 -1.049 -7.915 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.898 -1.942 -11.097 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.513 -1.451 -10.575 1.00 0.00 H new ATOM 544 N LEU A 32 3.632 -1.216 -6.342 1.00 0.00 N ATOM 545 CA LEU A 32 2.997 -2.150 -5.400 1.00 0.00 C ATOM 546 C LEU A 32 2.950 -3.615 -5.900 1.00 0.00 C ATOM 547 O LEU A 32 2.695 -4.535 -5.125 1.00 0.00 O ATOM 548 CB LEU A 32 1.594 -1.622 -5.063 1.00 0.00 C ATOM 549 CG LEU A 32 1.536 -0.184 -4.501 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.081 0.247 -4.319 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.241 -0.030 -3.152 1.00 0.00 C ATOM 0 H LEU A 32 3.155 -1.184 -7.243 1.00 0.00 H new ATOM 0 HA LEU A 32 3.614 -2.190 -4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.984 -1.665 -5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.137 -2.295 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 32 2.054 0.442 -5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.049 1.262 -3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.430 0.217 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.415 -0.430 -3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.162 1.004 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.772 -0.687 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.292 -0.297 -3.258 1.00 0.00 H new ATOM 563 N HIS A 33 3.253 -3.864 -7.177 1.00 0.00 N ATOM 564 CA HIS A 33 3.469 -5.187 -7.768 1.00 0.00 C ATOM 565 C HIS A 33 4.681 -5.894 -7.138 1.00 0.00 C ATOM 566 O HIS A 33 5.829 -5.608 -7.482 1.00 0.00 O ATOM 567 CB HIS A 33 3.682 -5.029 -9.277 1.00 0.00 C ATOM 568 CG HIS A 33 3.672 -6.354 -9.983 1.00 0.00 C ATOM 569 ND1 HIS A 33 2.554 -7.017 -10.425 1.00 0.00 N ATOM 570 CD2 HIS A 33 4.750 -7.164 -10.201 1.00 0.00 C ATOM 571 CE1 HIS A 33 2.953 -8.193 -10.937 1.00 0.00 C ATOM 572 NE2 HIS A 33 4.292 -8.317 -10.847 1.00 0.00 N ATOM 0 H HIS A 33 3.359 -3.113 -7.859 1.00 0.00 H new ATOM 0 HA HIS A 33 2.591 -5.803 -7.574 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.900 -4.391 -9.690 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.632 -4.527 -9.459 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.593 -6.678 -10.374 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.772 -6.952 -9.924 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.293 -8.935 -11.361 1.00 0.00 H new ATOM 580 N GLY A 34 4.428 -6.826 -6.224 1.00 0.00 N ATOM 581 CA GLY A 34 5.457 -7.681 -5.608 1.00 0.00 C ATOM 582 C GLY A 34 5.946 -7.225 -4.232 1.00 0.00 C ATOM 583 O GLY A 34 6.915 -7.783 -3.722 1.00 0.00 O ATOM 0 H GLY A 34 3.487 -7.018 -5.879 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.060 -8.692 -5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.313 -7.734 -6.281 1.00 0.00 H new ATOM 587 N ILE A 35 5.299 -6.219 -3.630 1.00 0.00 N ATOM 588 CA ILE A 35 5.653 -5.749 -2.279 1.00 0.00 C ATOM 589 C ILE A 35 5.292 -6.744 -1.168 1.00 0.00 C ATOM 590 O ILE A 35 5.885 -6.680 -0.099 1.00 0.00 O ATOM 591 CB ILE A 35 5.065 -4.352 -1.974 1.00 0.00 C ATOM 592 CG1 ILE A 35 3.520 -4.287 -1.980 1.00 0.00 C ATOM 593 CG2 ILE A 35 5.643 -3.326 -2.963 1.00 0.00 C ATOM 594 CD1 ILE A 35 2.878 -4.564 -0.618 1.00 0.00 C ATOM 0 H ILE A 35 4.524 -5.711 -4.057 1.00 0.00 H new ATOM 0 HA ILE A 35 6.740 -5.668 -2.285 1.00 0.00 H new ATOM 0 HB ILE A 35 5.359 -4.117 -0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.210 -3.300 -2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.139 -5.009 -2.703 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.229 -2.341 -2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.728 -3.294 -2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.383 -3.615 -3.981 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.794 -4.499 -0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.156 -5.563 -0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.227 -3.827 0.105 1.00 0.00 H new ATOM 606 N PHE A 36 4.337 -7.658 -1.382 1.00 0.00 N ATOM 607 CA PHE A 36 3.911 -8.634 -0.383 1.00 0.00 C ATOM 608 C PHE A 36 5.033 -9.616 -0.059 1.00 0.00 C ATOM 609 O PHE A 36 5.844 -9.986 -0.908 1.00 0.00 O ATOM 610 CB PHE A 36 2.657 -9.378 -0.849 1.00 0.00 C ATOM 611 CG PHE A 36 1.374 -8.596 -0.640 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.964 -7.618 -1.565 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.587 -8.847 0.500 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.247 -6.932 -1.372 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.612 -8.144 0.702 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.034 -7.195 -0.240 1.00 0.00 C ATOM 0 H PHE A 36 3.835 -7.738 -2.266 1.00 0.00 H new ATOM 0 HA PHE A 36 3.666 -8.091 0.530 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.759 -9.617 -1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.587 -10.325 -0.314 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.580 -7.395 -2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.907 -9.583 1.222 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.573 -6.200 -2.097 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.208 -8.334 1.582 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.965 -6.666 -0.095 1.00 0.00 H new ATOM 626 N GLY A 37 5.085 -10.006 1.210 1.00 0.00 N ATOM 627 CA GLY A 37 6.163 -10.814 1.793 1.00 0.00 C ATOM 628 C GLY A 37 7.534 -10.116 1.819 1.00 0.00 C ATOM 629 O GLY A 37 8.468 -10.583 2.476 1.00 0.00 O ATOM 0 H GLY A 37 4.360 -9.764 1.885 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.887 -11.086 2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.252 -11.742 1.228 1.00 0.00 H new ATOM 633 N ARG A 38 7.686 -8.981 1.124 1.00 0.00 N ATOM 634 CA ARG A 38 8.808 -8.069 1.310 1.00 0.00 C ATOM 635 C ARG A 38 8.687 -7.401 2.673 1.00 0.00 C ATOM 636 O ARG A 38 7.619 -7.298 3.270 1.00 0.00 O ATOM 637 CB ARG A 38 8.818 -7.015 0.185 1.00 0.00 C ATOM 638 CG ARG A 38 10.203 -6.516 -0.204 1.00 0.00 C ATOM 639 CD ARG A 38 10.885 -7.535 -1.108 1.00 0.00 C ATOM 640 NE ARG A 38 12.333 -7.546 -0.858 1.00 0.00 N ATOM 641 CZ ARG A 38 13.130 -8.589 -0.859 1.00 0.00 C ATOM 642 NH1 ARG A 38 12.749 -9.760 -1.291 1.00 0.00 N ATOM 643 NH2 ARG A 38 14.332 -8.454 -0.386 1.00 0.00 N ATOM 0 H ARG A 38 7.024 -8.673 0.412 1.00 0.00 H new ATOM 0 HA ARG A 38 9.746 -8.622 1.268 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.338 -7.440 -0.697 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.214 -6.163 0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.123 -5.558 -0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.804 -6.350 0.690 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.470 -8.527 -0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.691 -7.293 -2.153 1.00 0.00 H new ATOM 0 HE ARG A 38 12.767 -6.644 -0.662 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.801 -9.889 -1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.399 -10.546 -1.275 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.639 -7.551 -0.024 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.969 -9.251 -0.377 1.00 0.00 H new ATOM 657 N HIS A 39 9.825 -6.893 3.106 1.00 0.00 N ATOM 658 CA HIS A 39 9.918 -5.922 4.183 1.00 0.00 C ATOM 659 C HIS A 39 9.913 -4.528 3.560 1.00 0.00 C ATOM 660 O HIS A 39 10.516 -4.345 2.497 1.00 0.00 O ATOM 661 CB HIS A 39 11.204 -6.173 4.969 1.00 0.00 C ATOM 662 CG HIS A 39 11.194 -7.481 5.715 1.00 0.00 C ATOM 663 ND1 HIS A 39 11.302 -8.746 5.175 1.00 0.00 N ATOM 664 CD2 HIS A 39 11.041 -7.619 7.064 1.00 0.00 C ATOM 665 CE1 HIS A 39 11.238 -9.626 6.189 1.00 0.00 C ATOM 666 NE2 HIS A 39 11.098 -8.984 7.356 1.00 0.00 N ATOM 0 H HIS A 39 10.730 -7.148 2.712 1.00 0.00 H new ATOM 0 HA HIS A 39 9.078 -6.009 4.872 1.00 0.00 H new ATOM 0 HB2 HIS A 39 12.051 -6.159 4.283 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.355 -5.359 5.678 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.901 -6.819 7.776 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.292 -10.699 6.078 1.00 0.00 H new ATOM 0 HE2 HIS A 39 11.043 -9.410 8.281 1.00 0.00 H new ATOM 674 N SER A 40 9.246 -3.570 4.202 1.00 0.00 N ATOM 675 CA SER A 40 9.039 -2.219 3.676 1.00 0.00 C ATOM 676 C SER A 40 10.332 -1.502 3.282 1.00 0.00 C ATOM 677 O SER A 40 11.410 -1.769 3.827 1.00 0.00 O ATOM 678 CB SER A 40 8.198 -1.387 4.656 1.00 0.00 C ATOM 679 OG SER A 40 8.893 -1.025 5.838 1.00 0.00 O ATOM 0 H SER A 40 8.826 -3.713 5.120 1.00 0.00 H new ATOM 0 HA SER A 40 8.486 -2.330 2.743 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.859 -0.482 4.152 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.307 -1.953 4.928 1.00 0.00 H new ATOM 0 HG SER A 40 9.179 -0.090 5.776 1.00 0.00 H new ATOM 685 N GLY A 41 10.214 -0.577 2.330 1.00 0.00 N ATOM 686 CA GLY A 41 11.342 0.225 1.848 1.00 0.00 C ATOM 687 C GLY A 41 12.186 -0.421 0.737 1.00 0.00 C ATOM 688 O GLY A 41 13.366 -0.098 0.625 1.00 0.00 O ATOM 0 H GLY A 41 9.330 -0.361 1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.958 1.177 1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.994 0.448 2.693 1.00 0.00 H new ATOM 692 N GLN A 42 11.640 -1.368 -0.044 1.00 0.00 N ATOM 693 CA GLN A 42 12.408 -2.225 -0.967 1.00 0.00 C ATOM 694 C GLN A 42 11.846 -2.288 -2.401 1.00 0.00 C ATOM 695 O GLN A 42 11.640 -3.368 -2.955 1.00 0.00 O ATOM 696 CB GLN A 42 12.600 -3.617 -0.345 1.00 0.00 C ATOM 697 CG GLN A 42 13.456 -3.559 0.924 1.00 0.00 C ATOM 698 CD GLN A 42 13.829 -4.936 1.465 1.00 0.00 C ATOM 699 OE1 GLN A 42 14.057 -5.912 0.753 1.00 0.00 O ATOM 700 NE2 GLN A 42 13.931 -5.063 2.768 1.00 0.00 N ATOM 0 H GLN A 42 10.639 -1.564 -0.053 1.00 0.00 H new ATOM 0 HA GLN A 42 13.383 -1.756 -1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.627 -4.047 -0.108 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.072 -4.278 -1.072 1.00 0.00 H new ATOM 0 HG2 GLN A 42 14.368 -3.000 0.713 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.915 -3.008 1.694 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.746 -4.264 3.374 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.196 -5.961 3.174 1.00 0.00 H new ATOM 709 N ALA A 43 11.644 -1.120 -3.008 1.00 0.00 N ATOM 710 CA ALA A 43 11.509 -0.954 -4.458 1.00 0.00 C ATOM 711 C ALA A 43 12.878 -0.876 -5.183 1.00 0.00 C ATOM 712 O ALA A 43 13.932 -0.895 -4.549 1.00 0.00 O ATOM 713 CB ALA A 43 10.646 0.287 -4.701 1.00 0.00 C ATOM 0 H ALA A 43 11.568 -0.241 -2.496 1.00 0.00 H new ATOM 0 HA ALA A 43 11.026 -1.833 -4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.524 0.441 -5.773 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.668 0.146 -4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.131 1.159 -4.262 1.00 0.00 H new ATOM 719 N GLU A 44 12.858 -0.767 -6.516 1.00 0.00 N ATOM 720 CA GLU A 44 14.038 -0.766 -7.407 1.00 0.00 C ATOM 721 C GLU A 44 14.898 0.500 -7.235 1.00 0.00 C ATOM 722 O GLU A 44 14.750 1.485 -7.958 1.00 0.00 O ATOM 723 CB GLU A 44 13.608 -0.914 -8.882 1.00 0.00 C ATOM 724 CG GLU A 44 12.922 -2.248 -9.215 1.00 0.00 C ATOM 725 CD GLU A 44 13.839 -3.484 -9.165 1.00 0.00 C ATOM 726 OE1 GLU A 44 15.055 -3.341 -8.889 1.00 0.00 O ATOM 727 OE2 GLU A 44 13.285 -4.578 -9.421 1.00 0.00 O ATOM 0 H GLU A 44 11.983 -0.673 -7.032 1.00 0.00 H new ATOM 0 HA GLU A 44 14.650 -1.622 -7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.930 -0.099 -9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.487 -0.804 -9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.097 -2.398 -8.519 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.488 -2.177 -10.212 1.00 0.00 H new ATOM 734 N GLY A 45 15.771 0.515 -6.223 1.00 0.00 N ATOM 735 CA GLY A 45 16.677 1.631 -5.904 1.00 0.00 C ATOM 736 C GLY A 45 15.996 2.915 -5.400 1.00 0.00 C ATOM 737 O GLY A 45 16.673 3.833 -4.936 1.00 0.00 O ATOM 0 H GLY A 45 15.872 -0.272 -5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 45 17.386 1.295 -5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 45 17.255 1.873 -6.796 1.00 0.00 H new ATOM 741 N TYR A 46 14.664 2.988 -5.435 1.00 0.00 N ATOM 742 CA TYR A 46 13.878 4.118 -4.948 1.00 0.00 C ATOM 743 C TYR A 46 14.020 4.271 -3.426 1.00 0.00 C ATOM 744 O TYR A 46 13.877 3.312 -2.675 1.00 0.00 O ATOM 745 CB TYR A 46 12.423 3.947 -5.395 1.00 0.00 C ATOM 746 CG TYR A 46 11.571 5.142 -5.029 1.00 0.00 C ATOM 747 CD1 TYR A 46 11.082 5.234 -3.719 1.00 0.00 C ATOM 748 CD2 TYR A 46 11.337 6.188 -5.943 1.00 0.00 C ATOM 749 CE1 TYR A 46 10.346 6.359 -3.312 1.00 0.00 C ATOM 750 CE2 TYR A 46 10.577 7.312 -5.551 1.00 0.00 C ATOM 751 CZ TYR A 46 10.095 7.404 -4.226 1.00 0.00 C ATOM 752 OH TYR A 46 9.440 8.516 -3.799 1.00 0.00 O ATOM 0 H TYR A 46 14.087 2.238 -5.815 1.00 0.00 H new ATOM 0 HA TYR A 46 14.255 5.046 -5.379 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.391 3.796 -6.474 1.00 0.00 H new ATOM 0 HB3 TYR A 46 12.006 3.051 -4.936 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.272 4.435 -3.018 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.739 6.130 -6.944 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.973 6.424 -2.301 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.365 8.098 -6.261 1.00 0.00 H new ATOM 0 HH TYR A 46 8.475 8.394 -3.920 1.00 0.00 H new ATOM 762 N SER A 47 14.308 5.493 -2.966 1.00 0.00 N ATOM 763 CA SER A 47 14.526 5.827 -1.552 1.00 0.00 C ATOM 764 C SER A 47 13.288 6.451 -0.898 1.00 0.00 C ATOM 765 O SER A 47 12.643 7.337 -1.462 1.00 0.00 O ATOM 766 CB SER A 47 15.720 6.770 -1.425 1.00 0.00 C ATOM 767 OG SER A 47 16.901 6.071 -1.755 1.00 0.00 O ATOM 0 H SER A 47 14.399 6.300 -3.583 1.00 0.00 H new ATOM 0 HA SER A 47 14.729 4.896 -1.023 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.594 7.627 -2.087 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.785 7.159 -0.409 1.00 0.00 H new ATOM 0 HG SER A 47 17.670 6.673 -1.677 1.00 0.00 H new ATOM 773 N TYR A 48 12.962 5.979 0.303 1.00 0.00 N ATOM 774 CA TYR A 48 11.667 6.146 0.963 1.00 0.00 C ATOM 775 C TYR A 48 11.683 7.339 1.935 1.00 0.00 C ATOM 776 O TYR A 48 11.828 8.484 1.492 1.00 0.00 O ATOM 777 CB TYR A 48 11.335 4.797 1.627 1.00 0.00 C ATOM 778 CG TYR A 48 10.847 3.739 0.665 1.00 0.00 C ATOM 779 CD1 TYR A 48 11.709 3.132 -0.273 1.00 0.00 C ATOM 780 CD2 TYR A 48 9.510 3.327 0.755 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.225 2.120 -1.122 1.00 0.00 C ATOM 782 CE2 TYR A 48 9.045 2.282 -0.053 1.00 0.00 C ATOM 783 CZ TYR A 48 9.898 1.666 -0.990 1.00 0.00 C ATOM 784 OH TYR A 48 9.468 0.608 -1.725 1.00 0.00 O ATOM 0 H TYR A 48 13.622 5.446 0.869 1.00 0.00 H new ATOM 0 HA TYR A 48 10.878 6.395 0.253 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.224 4.427 2.137 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.574 4.958 2.390 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.741 3.444 -0.339 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.839 3.815 1.447 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.870 1.691 -1.874 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.023 1.945 0.043 1.00 0.00 H new ATOM 0 HH TYR A 48 9.173 -0.109 -1.125 1.00 0.00 H new ATOM 794 N THR A 49 11.608 7.053 3.237 1.00 0.00 N ATOM 795 CA THR A 49 11.905 7.879 4.412 1.00 0.00 C ATOM 796 C THR A 49 12.734 7.058 5.393 1.00 0.00 C ATOM 797 O THR A 49 12.609 5.833 5.444 1.00 0.00 O ATOM 798 CB THR A 49 10.630 8.315 5.155 1.00 0.00 C ATOM 799 OG1 THR A 49 9.801 7.220 5.493 1.00 0.00 O ATOM 800 CG2 THR A 49 9.835 9.318 4.338 1.00 0.00 C ATOM 0 H THR A 49 11.301 6.125 3.528 1.00 0.00 H new ATOM 0 HA THR A 49 12.433 8.765 4.060 1.00 0.00 H new ATOM 0 HB THR A 49 10.963 8.785 6.081 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.271 6.957 4.711 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.940 9.608 4.888 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.447 10.200 4.150 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.547 8.867 3.388 1.00 0.00 H new ATOM 808 N ASP A 50 13.545 7.722 6.219 1.00 0.00 N ATOM 809 CA ASP A 50 14.309 7.037 7.262 1.00 0.00 C ATOM 810 C ASP A 50 13.396 6.268 8.244 1.00 0.00 C ATOM 811 O ASP A 50 13.638 5.096 8.526 1.00 0.00 O ATOM 812 CB ASP A 50 15.199 8.076 7.947 1.00 0.00 C ATOM 813 CG ASP A 50 16.111 7.414 8.968 1.00 0.00 C ATOM 814 OD1 ASP A 50 17.065 6.704 8.568 1.00 0.00 O ATOM 815 OD2 ASP A 50 15.819 7.549 10.172 1.00 0.00 O ATOM 0 H ASP A 50 13.689 8.731 6.186 1.00 0.00 H new ATOM 0 HA ASP A 50 14.940 6.265 6.822 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.798 8.597 7.201 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.579 8.826 8.438 1.00 0.00 H new ATOM 820 N ALA A 51 12.289 6.885 8.681 1.00 0.00 N ATOM 821 CA ALA A 51 11.290 6.291 9.575 1.00 0.00 C ATOM 822 C ALA A 51 10.663 4.974 9.063 1.00 0.00 C ATOM 823 O ALA A 51 10.348 4.098 9.871 1.00 0.00 O ATOM 824 CB ALA A 51 10.207 7.345 9.845 1.00 0.00 C ATOM 0 H ALA A 51 12.059 7.842 8.412 1.00 0.00 H new ATOM 0 HA ALA A 51 11.805 6.004 10.492 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.450 6.927 10.509 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.659 8.219 10.314 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.742 7.638 8.904 1.00 0.00 H new ATOM 830 N ASN A 52 10.485 4.814 7.746 1.00 0.00 N ATOM 831 CA ASN A 52 10.055 3.554 7.131 1.00 0.00 C ATOM 832 C ASN A 52 11.142 2.470 7.240 1.00 0.00 C ATOM 833 O ASN A 52 10.876 1.332 7.620 1.00 0.00 O ATOM 834 CB ASN A 52 9.676 3.863 5.675 1.00 0.00 C ATOM 835 CG ASN A 52 9.035 2.710 4.927 1.00 0.00 C ATOM 836 OD1 ASN A 52 9.270 1.537 5.172 1.00 0.00 O ATOM 837 ND2 ASN A 52 8.188 3.028 3.977 1.00 0.00 N ATOM 0 H ASN A 52 10.637 5.564 7.071 1.00 0.00 H new ATOM 0 HA ASN A 52 9.192 3.146 7.656 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.991 4.710 5.665 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.573 4.172 5.138 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.724 2.295 3.441 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.993 4.009 3.774 1.00 0.00 H new ATOM 844 N ILE A 53 12.394 2.830 6.969 1.00 0.00 N ATOM 845 CA ILE A 53 13.544 1.925 7.073 1.00 0.00 C ATOM 846 C ILE A 53 13.726 1.425 8.515 1.00 0.00 C ATOM 847 O ILE A 53 13.906 0.228 8.705 1.00 0.00 O ATOM 848 CB ILE A 53 14.803 2.625 6.541 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.627 3.039 5.054 1.00 0.00 C ATOM 850 CG2 ILE A 53 16.053 1.738 6.687 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.661 4.052 4.548 1.00 0.00 C ATOM 0 H ILE A 53 12.646 3.771 6.666 1.00 0.00 H new ATOM 0 HA ILE A 53 13.362 1.043 6.459 1.00 0.00 H new ATOM 0 HB ILE A 53 14.945 3.521 7.145 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.679 2.145 4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.630 3.460 4.923 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.923 2.268 6.299 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.211 1.502 7.739 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.911 0.814 6.126 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.462 4.283 3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.596 4.965 5.140 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.661 3.629 4.642 1.00 0.00 H new ATOM 863 N LYS A 54 13.600 2.269 9.558 1.00 0.00 N ATOM 864 CA LYS A 54 13.560 1.788 10.963 1.00 0.00 C ATOM 865 C LYS A 54 12.383 0.862 11.280 1.00 0.00 C ATOM 866 O LYS A 54 12.338 0.280 12.361 1.00 0.00 O ATOM 867 CB LYS A 54 13.509 2.943 11.958 1.00 0.00 C ATOM 868 CG LYS A 54 14.503 4.049 11.657 1.00 0.00 C ATOM 869 CD LYS A 54 15.984 3.665 11.507 1.00 0.00 C ATOM 870 CE LYS A 54 16.623 4.987 11.092 1.00 0.00 C ATOM 871 NZ LYS A 54 17.908 4.890 10.373 1.00 0.00 N ATOM 0 H LYS A 54 13.524 3.282 9.461 1.00 0.00 H new ATOM 0 HA LYS A 54 14.485 1.220 11.066 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.503 3.362 11.964 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.700 2.557 12.960 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.190 4.538 10.735 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.429 4.791 12.452 1.00 0.00 H new ATOM 0 HD2 LYS A 54 16.402 3.286 12.440 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.129 2.890 10.755 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.917 5.526 10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.775 5.590 11.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.850 5.427 9.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 18.668 5.282 10.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 18.113 3.893 10.162 1.00 0.00 H new ATOM 885 N LYS A 55 11.402 0.795 10.374 1.00 0.00 N ATOM 886 CA LYS A 55 10.222 -0.075 10.488 1.00 0.00 C ATOM 887 C LYS A 55 10.450 -1.477 9.920 1.00 0.00 C ATOM 888 O LYS A 55 10.066 -2.432 10.585 1.00 0.00 O ATOM 889 CB LYS A 55 8.980 0.583 9.847 1.00 0.00 C ATOM 890 CG LYS A 55 7.696 0.188 10.587 1.00 0.00 C ATOM 891 CD LYS A 55 7.536 1.022 11.865 1.00 0.00 C ATOM 892 CE LYS A 55 6.450 0.422 12.757 1.00 0.00 C ATOM 893 NZ LYS A 55 6.067 1.368 13.823 1.00 0.00 N ATOM 0 H LYS A 55 11.404 1.355 9.522 1.00 0.00 H new ATOM 0 HA LYS A 55 10.040 -0.200 11.555 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.092 1.667 9.862 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.906 0.284 8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.834 0.338 9.937 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.725 -0.872 10.838 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.482 1.057 12.405 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.278 2.049 11.607 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.576 0.171 12.156 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.809 -0.507 13.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.444 0.889 14.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.921 1.705 14.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.565 2.178 13.405 1.00 0.00 H new ATOM 907 N ASN A 56 10.989 -1.564 8.693 1.00 0.00 N ATOM 908 CA ASN A 56 11.038 -2.757 7.828 1.00 0.00 C ATOM 909 C ASN A 56 9.841 -3.697 8.064 1.00 0.00 C ATOM 910 O ASN A 56 9.986 -4.825 8.524 1.00 0.00 O ATOM 911 CB ASN A 56 12.418 -3.441 7.944 1.00 0.00 C ATOM 912 CG ASN A 56 13.541 -2.790 7.148 1.00 0.00 C ATOM 913 OD1 ASN A 56 14.688 -2.788 7.557 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.315 -2.287 5.951 1.00 0.00 N ATOM 0 H ASN A 56 11.428 -0.757 8.251 1.00 0.00 H new ATOM 0 HA ASN A 56 10.932 -2.446 6.789 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.706 -3.462 8.995 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.319 -4.477 7.619 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.088 -1.913 5.401 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.367 -2.272 5.575 1.00 0.00 H new ATOM 921 N VAL A 57 8.633 -3.218 7.755 1.00 0.00 N ATOM 922 CA VAL A 57 7.407 -3.975 8.016 1.00 0.00 C ATOM 923 C VAL A 57 7.185 -5.047 6.971 1.00 0.00 C ATOM 924 O VAL A 57 7.268 -4.771 5.776 1.00 0.00 O ATOM 925 CB VAL A 57 6.187 -3.054 8.233 1.00 0.00 C ATOM 926 CG1 VAL A 57 5.180 -2.975 7.089 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.467 -3.543 9.485 1.00 0.00 C ATOM 0 H VAL A 57 8.478 -2.307 7.323 1.00 0.00 H new ATOM 0 HA VAL A 57 7.536 -4.501 8.962 1.00 0.00 H new ATOM 0 HB VAL A 57 6.586 -2.043 8.314 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.371 -2.298 7.362 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.676 -2.604 6.192 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.772 -3.967 6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.596 -2.915 9.672 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.146 -4.575 9.341 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.143 -3.489 10.338 1.00 0.00 H new ATOM 937 N LEU A 58 6.948 -6.274 7.428 1.00 0.00 N ATOM 938 CA LEU A 58 6.601 -7.359 6.532 1.00 0.00 C ATOM 939 C LEU A 58 5.175 -7.127 5.998 1.00 0.00 C ATOM 940 O LEU A 58 4.203 -6.989 6.752 1.00 0.00 O ATOM 941 CB LEU A 58 6.827 -8.715 7.216 1.00 0.00 C ATOM 942 CG LEU A 58 7.206 -9.818 6.203 1.00 0.00 C ATOM 943 CD1 LEU A 58 7.965 -10.936 6.918 1.00 0.00 C ATOM 944 CD2 LEU A 58 5.981 -10.448 5.558 1.00 0.00 C ATOM 0 H LEU A 58 6.991 -6.535 8.413 1.00 0.00 H new ATOM 0 HA LEU A 58 7.256 -7.379 5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.618 -8.619 7.960 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.922 -9.008 7.749 1.00 0.00 H new ATOM 0 HG LEU A 58 7.815 -9.344 5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.231 -11.712 6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.872 -10.531 7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.334 -11.363 7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.296 -11.218 4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.354 -10.896 6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.414 -9.682 5.029 1.00 0.00 H new ATOM 956 N TRP A 59 5.082 -6.971 4.683 1.00 0.00 N ATOM 957 CA TRP A 59 3.825 -6.767 3.961 1.00 0.00 C ATOM 958 C TRP A 59 2.957 -8.036 3.857 1.00 0.00 C ATOM 959 O TRP A 59 2.850 -8.665 2.802 1.00 0.00 O ATOM 960 CB TRP A 59 4.110 -6.103 2.612 1.00 0.00 C ATOM 961 CG TRP A 59 4.625 -4.692 2.697 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.725 -4.200 2.079 1.00 0.00 C ATOM 963 CD2 TRP A 59 4.075 -3.582 3.468 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.882 -2.859 2.392 1.00 0.00 N ATOM 965 CE2 TRP A 59 4.937 -2.458 3.305 1.00 0.00 C ATOM 966 CE3 TRP A 59 2.952 -3.412 4.307 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.738 -1.249 3.979 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.742 -2.207 4.994 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.632 -1.125 4.836 1.00 0.00 C ATOM 0 H TRP A 59 5.898 -6.983 4.071 1.00 0.00 H new ATOM 0 HA TRP A 59 3.206 -6.087 4.547 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.838 -6.708 2.072 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.194 -6.105 2.022 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.382 -4.768 1.438 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.601 -2.252 1.998 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.245 -4.221 4.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.423 -0.425 3.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.890 -2.107 5.650 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.464 -0.203 5.373 1.00 0.00 H new ATOM 980 N ASP A 60 2.305 -8.379 4.969 1.00 0.00 N ATOM 981 CA ASP A 60 1.227 -9.372 5.076 1.00 0.00 C ATOM 982 C ASP A 60 -0.153 -8.733 4.851 1.00 0.00 C ATOM 983 O ASP A 60 -0.328 -7.545 5.110 1.00 0.00 O ATOM 984 CB ASP A 60 1.231 -9.980 6.485 1.00 0.00 C ATOM 985 CG ASP A 60 2.576 -10.599 6.846 1.00 0.00 C ATOM 986 OD1 ASP A 60 2.914 -11.615 6.205 1.00 0.00 O ATOM 987 OD2 ASP A 60 3.227 -10.059 7.767 1.00 0.00 O ATOM 0 H ASP A 60 2.524 -7.951 5.869 1.00 0.00 H new ATOM 0 HA ASP A 60 1.403 -10.131 4.313 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.983 -9.207 7.212 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.454 -10.741 6.552 1.00 0.00 H new ATOM 992 N GLU A 61 -1.171 -9.521 4.481 1.00 0.00 N ATOM 993 CA GLU A 61 -2.545 -9.054 4.204 1.00 0.00 C ATOM 994 C GLU A 61 -3.157 -8.240 5.358 1.00 0.00 C ATOM 995 O GLU A 61 -3.627 -7.125 5.143 1.00 0.00 O ATOM 996 CB GLU A 61 -3.441 -10.252 3.808 1.00 0.00 C ATOM 997 CG GLU A 61 -3.192 -10.663 2.344 1.00 0.00 C ATOM 998 CD GLU A 61 -3.691 -12.068 1.969 1.00 0.00 C ATOM 999 OE1 GLU A 61 -4.886 -12.263 1.654 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -2.844 -12.972 1.816 1.00 0.00 O ATOM 0 H GLU A 61 -1.064 -10.528 4.362 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.488 -8.362 3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.238 -11.096 4.467 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.490 -9.987 3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.675 -9.936 1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.122 -10.609 2.144 1.00 0.00 H new ATOM 1007 N ASN A 62 -3.155 -8.753 6.595 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.641 -7.993 7.752 1.00 0.00 C ATOM 1009 C ASN A 62 -2.702 -6.863 8.181 1.00 0.00 C ATOM 1010 O ASN A 62 -3.181 -5.769 8.443 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.964 -8.949 8.916 1.00 0.00 C ATOM 1012 CG ASN A 62 -5.394 -9.446 8.867 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -6.106 -9.532 9.860 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -5.889 -9.765 7.698 1.00 0.00 N ATOM 0 H ASN A 62 -2.822 -9.691 6.819 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.559 -7.493 7.443 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.284 -9.800 8.884 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.791 -8.438 9.863 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.856 -10.080 7.623 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.308 -9.698 6.863 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.386 -7.083 8.250 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.480 -6.033 8.724 1.00 0.00 C ATOM 1023 C ASN A 63 -0.413 -4.822 7.764 1.00 0.00 C ATOM 1024 O ASN A 63 -0.333 -3.677 8.208 1.00 0.00 O ATOM 1025 CB ASN A 63 0.885 -6.667 8.984 1.00 0.00 C ATOM 1026 CG ASN A 63 1.820 -5.643 9.579 1.00 0.00 C ATOM 1027 OD1 ASN A 63 2.935 -5.426 8.941 1.00 0.00 O flip ATOM 1028 ND2 ASN A 63 1.560 -5.009 10.590 1.00 0.00 N flip ATOM 0 H ASN A 63 -0.932 -7.958 7.990 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.863 -5.614 9.654 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.779 -7.514 9.662 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.300 -7.054 8.053 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.687 -5.180 11.089 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.216 -4.309 10.936 1.00 0.00 H new ATOM 1035 N MET A 64 -0.559 -5.053 6.453 1.00 0.00 N ATOM 1036 CA MET A 64 -0.910 -4.012 5.483 1.00 0.00 C ATOM 1037 C MET A 64 -2.197 -3.276 5.880 1.00 0.00 C ATOM 1038 O MET A 64 -2.210 -2.055 5.817 1.00 0.00 O ATOM 1039 CB MET A 64 -1.021 -4.599 4.062 1.00 0.00 C ATOM 1040 CG MET A 64 -1.808 -3.694 3.101 1.00 0.00 C ATOM 1041 SD MET A 64 -1.971 -4.264 1.394 1.00 0.00 S ATOM 1042 CE MET A 64 -0.324 -3.833 0.800 1.00 0.00 C ATOM 0 H MET A 64 -0.436 -5.975 6.034 1.00 0.00 H new ATOM 0 HA MET A 64 -0.104 -3.278 5.485 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.020 -4.762 3.662 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.506 -5.574 4.114 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.809 -3.554 3.509 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.329 -2.715 3.088 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.376 -3.565 -0.255 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.059 -2.987 1.371 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.343 -4.686 0.925 1.00 0.00 H new ATOM 1052 N SER A 65 -3.282 -3.971 6.235 1.00 0.00 N ATOM 1053 CA SER A 65 -4.548 -3.331 6.638 1.00 0.00 C ATOM 1054 C SER A 65 -4.373 -2.375 7.820 1.00 0.00 C ATOM 1055 O SER A 65 -4.763 -1.213 7.718 1.00 0.00 O ATOM 1056 CB SER A 65 -5.617 -4.375 6.984 1.00 0.00 C ATOM 1057 OG SER A 65 -6.885 -3.758 7.118 1.00 0.00 O ATOM 0 H SER A 65 -3.313 -4.990 6.253 1.00 0.00 H new ATOM 0 HA SER A 65 -4.876 -2.749 5.777 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.656 -5.136 6.205 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.352 -4.882 7.912 1.00 0.00 H new ATOM 0 HG SER A 65 -7.557 -4.436 7.337 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.768 -2.838 8.911 1.00 0.00 N ATOM 1064 CA GLU A 66 -3.402 -2.047 10.087 1.00 0.00 C ATOM 1065 C GLU A 66 -2.537 -0.814 9.723 1.00 0.00 C ATOM 1066 O GLU A 66 -2.871 0.306 10.120 1.00 0.00 O ATOM 1067 CB GLU A 66 -2.724 -2.993 11.100 1.00 0.00 C ATOM 1068 CG GLU A 66 -3.658 -3.467 12.235 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.927 -4.248 11.820 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -4.915 -4.953 10.785 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -5.928 -4.170 12.568 1.00 0.00 O ATOM 0 H GLU A 66 -3.507 -3.819 9.005 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.295 -1.620 10.543 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.342 -3.865 10.569 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.865 -2.485 11.538 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.078 -4.097 12.910 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.970 -2.592 12.805 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.487 -0.987 8.903 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.713 0.114 8.306 1.00 0.00 C ATOM 1080 C TYR A 67 -1.580 1.102 7.515 1.00 0.00 C ATOM 1081 O TYR A 67 -1.554 2.299 7.789 1.00 0.00 O ATOM 1082 CB TYR A 67 0.406 -0.444 7.410 1.00 0.00 C ATOM 1083 CG TYR A 67 1.089 0.610 6.549 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.891 1.579 7.175 1.00 0.00 C ATOM 1085 CD2 TYR A 67 0.911 0.648 5.150 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.503 2.596 6.421 1.00 0.00 C ATOM 1087 CE2 TYR A 67 1.567 1.633 4.376 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.362 2.610 5.016 1.00 0.00 C ATOM 1089 OH TYR A 67 2.998 3.568 4.290 1.00 0.00 O ATOM 0 H TYR A 67 -1.147 -1.910 8.632 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.278 0.672 9.135 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.154 -0.927 8.038 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.011 -1.215 6.762 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.039 1.542 8.244 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.272 -0.077 4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.079 3.364 6.915 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.461 1.638 3.301 1.00 0.00 H new ATOM 0 HH TYR A 67 2.367 3.972 3.658 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.340 0.635 6.520 1.00 0.00 N ATOM 1100 CA LEU A 68 -3.105 1.477 5.599 1.00 0.00 C ATOM 1101 C LEU A 68 -4.185 2.300 6.314 1.00 0.00 C ATOM 1102 O LEU A 68 -4.575 3.356 5.805 1.00 0.00 O ATOM 1103 CB LEU A 68 -3.783 0.610 4.519 1.00 0.00 C ATOM 1104 CG LEU A 68 -2.885 -0.033 3.451 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -3.753 -0.914 2.550 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -2.194 1.001 2.567 1.00 0.00 C ATOM 0 H LEU A 68 -2.442 -0.362 6.329 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.393 2.167 5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.328 -0.188 5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.522 1.228 4.008 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.117 -0.605 3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.130 -1.378 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.230 -1.689 3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.519 -0.303 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.572 0.492 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.945 1.602 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.570 1.648 3.184 1.00 0.00 H new ATOM 1118 N THR A 69 -4.730 1.807 7.427 1.00 0.00 N ATOM 1119 CA THR A 69 -5.761 2.484 8.239 1.00 0.00 C ATOM 1120 C THR A 69 -5.244 3.697 9.009 1.00 0.00 C ATOM 1121 O THR A 69 -5.987 4.666 9.159 1.00 0.00 O ATOM 1122 CB THR A 69 -6.467 1.487 9.153 1.00 0.00 C ATOM 1123 OG1 THR A 69 -7.127 0.575 8.316 1.00 0.00 O ATOM 1124 CG2 THR A 69 -7.560 2.072 10.050 1.00 0.00 C ATOM 0 H THR A 69 -4.463 0.898 7.806 1.00 0.00 H new ATOM 0 HA THR A 69 -6.490 2.887 7.536 1.00 0.00 H new ATOM 0 HB THR A 69 -5.696 1.075 9.804 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.493 -0.106 8.010 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.996 1.279 10.657 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.128 2.832 10.701 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.336 2.523 9.431 1.00 0.00 H new ATOM 1132 N ASN A 70 -3.986 3.692 9.463 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.323 4.888 9.989 1.00 0.00 C ATOM 1134 C ASN A 70 -1.803 4.853 9.691 1.00 0.00 C ATOM 1135 O ASN A 70 -0.997 4.617 10.598 1.00 0.00 O ATOM 1136 CB ASN A 70 -3.665 5.058 11.486 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.392 6.475 11.975 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.387 7.098 11.670 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -4.278 7.042 12.764 1.00 0.00 N ATOM 0 H ASN A 70 -3.399 2.858 9.476 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.697 5.776 9.480 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.715 4.814 11.648 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.079 4.352 12.074 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.120 7.988 13.111 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.123 6.536 13.029 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.372 5.116 8.442 1.00 0.00 N ATOM 1147 CA PRO A 71 0.035 5.029 8.044 1.00 0.00 C ATOM 1148 C PRO A 71 0.896 6.085 8.743 1.00 0.00 C ATOM 1149 O PRO A 71 2.088 5.874 8.943 1.00 0.00 O ATOM 1150 CB PRO A 71 0.040 5.193 6.518 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.250 5.967 6.239 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.197 5.385 7.280 1.00 0.00 C ATOM 0 HA PRO A 71 0.475 4.077 8.340 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.919 5.740 6.176 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.047 4.228 6.010 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.117 7.042 6.364 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.611 5.806 5.223 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.997 6.086 7.519 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.671 4.474 6.915 1.00 0.00 H new ATOM 1160 N LYS A 72 0.280 7.201 9.162 1.00 0.00 N ATOM 1161 CA LYS A 72 0.883 8.266 9.972 1.00 0.00 C ATOM 1162 C LYS A 72 1.333 7.764 11.341 1.00 0.00 C ATOM 1163 O LYS A 72 2.473 7.988 11.729 1.00 0.00 O ATOM 1164 CB LYS A 72 -0.094 9.448 10.123 1.00 0.00 C ATOM 1165 CG LYS A 72 -0.021 10.462 8.974 1.00 0.00 C ATOM 1166 CD LYS A 72 -0.533 9.950 7.618 1.00 0.00 C ATOM 1167 CE LYS A 72 -0.487 11.091 6.593 1.00 0.00 C ATOM 1168 NZ LYS A 72 0.910 11.415 6.208 1.00 0.00 N ATOM 0 H LYS A 72 -0.696 7.392 8.934 1.00 0.00 H new ATOM 0 HA LYS A 72 1.774 8.608 9.445 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.111 9.061 10.189 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.114 9.961 11.062 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.597 11.345 9.252 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.015 10.781 8.857 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.079 9.115 7.277 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.552 9.577 7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.055 10.809 5.706 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.966 11.977 7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.984 12.430 5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.550 11.180 6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.176 10.862 5.368 1.00 0.00 H new ATOM 1182 N LYS A 73 0.447 7.104 12.087 1.00 0.00 N ATOM 1183 CA LYS A 73 0.773 6.549 13.407 1.00 0.00 C ATOM 1184 C LYS A 73 1.662 5.309 13.293 1.00 0.00 C ATOM 1185 O LYS A 73 2.480 5.072 14.180 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.521 6.280 14.193 1.00 0.00 C ATOM 1187 CG LYS A 73 -0.241 6.157 15.697 1.00 0.00 C ATOM 1188 CD LYS A 73 -1.533 5.950 16.500 1.00 0.00 C ATOM 1189 CE LYS A 73 -1.306 6.096 18.013 1.00 0.00 C ATOM 1190 NZ LYS A 73 -0.295 5.136 18.529 1.00 0.00 N ATOM 0 H LYS A 73 -0.516 6.938 11.797 1.00 0.00 H new ATOM 0 HA LYS A 73 1.355 7.282 13.965 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.231 7.088 14.017 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.986 5.363 13.831 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.435 5.321 15.874 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.265 7.056 16.048 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.281 6.674 16.175 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.935 4.959 16.289 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.982 7.113 18.233 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.250 5.942 18.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.226 5.227 19.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.581 4.166 18.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.630 5.343 18.101 1.00 0.00 H new ATOM 1204 N TYR A 74 1.529 4.521 12.225 1.00 0.00 N ATOM 1205 CA TYR A 74 2.381 3.352 11.990 1.00 0.00 C ATOM 1206 C TYR A 74 3.834 3.749 11.655 1.00 0.00 C ATOM 1207 O TYR A 74 4.775 3.179 12.217 1.00 0.00 O ATOM 1208 CB TYR A 74 1.757 2.480 10.892 1.00 0.00 C ATOM 1209 CG TYR A 74 2.096 1.003 11.022 1.00 0.00 C ATOM 1210 CD1 TYR A 74 3.413 0.549 10.809 1.00 0.00 C ATOM 1211 CD2 TYR A 74 1.091 0.081 11.388 1.00 0.00 C ATOM 1212 CE1 TYR A 74 3.730 -0.809 11.014 1.00 0.00 C ATOM 1213 CE2 TYR A 74 1.402 -1.282 11.563 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.730 -1.727 11.396 1.00 0.00 C ATOM 1215 OH TYR A 74 3.055 -3.029 11.607 1.00 0.00 O ATOM 0 H TYR A 74 0.829 4.674 11.499 1.00 0.00 H new ATOM 0 HA TYR A 74 2.436 2.771 12.911 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.674 2.599 10.917 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.095 2.838 9.919 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.178 1.241 10.489 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.077 0.423 11.535 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.746 -1.149 10.878 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.625 -1.985 11.825 1.00 0.00 H new ATOM 0 HH TYR A 74 2.697 -3.320 12.472 1.00 0.00 H new ATOM 1225 N ILE A 75 4.020 4.741 10.781 1.00 0.00 N ATOM 1226 CA ILE A 75 5.318 5.272 10.349 1.00 0.00 C ATOM 1227 C ILE A 75 5.312 6.806 10.555 1.00 0.00 C ATOM 1228 O ILE A 75 5.019 7.558 9.620 1.00 0.00 O ATOM 1229 CB ILE A 75 5.650 4.819 8.905 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.538 3.282 8.742 1.00 0.00 C ATOM 1231 CG2 ILE A 75 7.077 5.272 8.540 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.926 2.737 7.360 1.00 0.00 C ATOM 0 H ILE A 75 3.237 5.218 10.335 1.00 0.00 H new ATOM 0 HA ILE A 75 6.128 4.867 10.955 1.00 0.00 H new ATOM 0 HB ILE A 75 4.924 5.279 8.235 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.170 2.807 9.492 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.511 2.985 8.956 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.311 4.954 7.524 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.141 6.358 8.604 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.789 4.825 9.234 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.813 1.653 7.351 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.278 3.176 6.601 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.963 2.995 7.145 1.00 0.00 H new ATOM 1244 N PRO A 76 5.601 7.294 11.780 1.00 0.00 N ATOM 1245 CA PRO A 76 5.594 8.720 12.100 1.00 0.00 C ATOM 1246 C PRO A 76 6.670 9.457 11.301 1.00 0.00 C ATOM 1247 O PRO A 76 7.856 9.164 11.415 1.00 0.00 O ATOM 1248 CB PRO A 76 5.786 8.817 13.617 1.00 0.00 C ATOM 1249 CG PRO A 76 6.517 7.524 13.969 1.00 0.00 C ATOM 1250 CD PRO A 76 5.956 6.520 12.964 1.00 0.00 C ATOM 0 HA PRO A 76 4.658 9.203 11.821 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.370 9.695 13.892 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.832 8.893 14.138 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.597 7.632 13.870 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.321 7.218 14.996 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.694 5.755 12.723 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.085 6.006 13.370 1.00 0.00 H new ATOM 1258 N GLY A 77 6.234 10.382 10.442 1.00 0.00 N ATOM 1259 CA GLY A 77 7.073 11.066 9.448 1.00 0.00 C ATOM 1260 C GLY A 77 6.964 10.516 8.019 1.00 0.00 C ATOM 1261 O GLY A 77 7.633 11.028 7.124 1.00 0.00 O ATOM 0 H GLY A 77 5.261 10.686 10.416 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.807 12.123 9.436 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.113 11.003 9.767 1.00 0.00 H new ATOM 1265 N THR A 78 6.129 9.498 7.766 1.00 0.00 N ATOM 1266 CA THR A 78 5.996 8.897 6.430 1.00 0.00 C ATOM 1267 C THR A 78 5.550 9.876 5.344 1.00 0.00 C ATOM 1268 O THR A 78 4.569 10.617 5.483 1.00 0.00 O ATOM 1269 CB THR A 78 5.071 7.669 6.411 1.00 0.00 C ATOM 1270 OG1 THR A 78 5.061 7.111 5.117 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.600 7.912 6.746 1.00 0.00 C ATOM 0 H THR A 78 5.532 9.071 8.474 1.00 0.00 H new ATOM 0 HA THR A 78 7.012 8.580 6.195 1.00 0.00 H new ATOM 0 HB THR A 78 5.489 7.032 7.190 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.473 6.327 5.103 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.055 6.969 6.698 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.519 8.327 7.751 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.174 8.613 6.028 1.00 0.00 H new ATOM 1279 N LYS A 79 6.211 9.735 4.192 1.00 0.00 N ATOM 1280 CA LYS A 79 5.917 10.300 2.869 1.00 0.00 C ATOM 1281 C LYS A 79 4.488 10.016 2.390 1.00 0.00 C ATOM 1282 O LYS A 79 3.955 10.771 1.582 1.00 0.00 O ATOM 1283 CB LYS A 79 6.929 9.652 1.909 1.00 0.00 C ATOM 1284 CG LYS A 79 7.596 10.525 0.836 1.00 0.00 C ATOM 1285 CD LYS A 79 8.712 9.653 0.235 1.00 0.00 C ATOM 1286 CE LYS A 79 9.600 10.308 -0.812 1.00 0.00 C ATOM 1287 NZ LYS A 79 10.656 9.343 -1.202 1.00 0.00 N ATOM 0 H LYS A 79 7.054 9.162 4.158 1.00 0.00 H new ATOM 0 HA LYS A 79 5.998 11.386 2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.721 9.210 2.514 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.422 8.833 1.399 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.878 10.826 0.073 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.002 11.439 1.270 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.347 9.303 1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.252 8.772 -0.212 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.010 10.597 -1.682 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.047 11.219 -0.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.539 9.856 -1.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.813 8.668 -0.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.358 8.828 -2.055 1.00 0.00 H new ATOM 1301 N MET A 80 3.848 8.945 2.879 1.00 0.00 N ATOM 1302 CA MET A 80 2.470 8.584 2.564 1.00 0.00 C ATOM 1303 C MET A 80 1.480 9.602 3.155 1.00 0.00 C ATOM 1304 O MET A 80 0.914 9.434 4.239 1.00 0.00 O ATOM 1305 CB MET A 80 2.212 7.124 2.964 1.00 0.00 C ATOM 1306 CG MET A 80 0.793 6.702 2.572 1.00 0.00 C ATOM 1307 SD MET A 80 0.600 4.982 2.013 1.00 0.00 S ATOM 1308 CE MET A 80 -1.181 4.788 2.229 1.00 0.00 C ATOM 0 H MET A 80 4.293 8.291 3.523 1.00 0.00 H new ATOM 0 HA MET A 80 2.304 8.636 1.488 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.939 6.474 2.477 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.349 7.006 4.039 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.138 6.861 3.429 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.445 7.363 1.778 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.466 3.761 1.999 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.449 5.017 3.260 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.705 5.469 1.558 1.00 0.00 H new ATOM 1318 N ALA A 81 1.279 10.704 2.424 1.00 0.00 N ATOM 1319 CA ALA A 81 0.451 11.851 2.804 1.00 0.00 C ATOM 1320 C ALA A 81 -1.041 11.541 3.000 1.00 0.00 C ATOM 1321 O ALA A 81 -1.710 12.189 3.795 1.00 0.00 O ATOM 1322 CB ALA A 81 0.704 13.001 1.825 1.00 0.00 C ATOM 0 H ALA A 81 1.711 10.825 1.508 1.00 0.00 H new ATOM 0 HA ALA A 81 0.763 12.154 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.090 13.858 2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.756 13.283 1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.446 12.682 0.815 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.456 10.448 2.380 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.791 9.858 2.177 1.00 0.00 C ATOM 1330 C PHE A 82 -3.809 9.917 3.336 1.00 0.00 C ATOM 1331 O PHE A 82 -5.011 9.957 3.094 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.545 8.396 1.787 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.796 7.588 1.518 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.632 7.930 0.441 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -4.133 6.504 2.349 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -5.773 7.162 0.165 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.274 5.734 2.075 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.087 6.058 0.976 1.00 0.00 C ATOM 0 H PHE A 82 -0.758 9.854 1.933 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.277 10.473 1.420 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.917 8.374 0.896 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.982 7.912 2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.396 8.785 -0.175 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.512 6.264 3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.409 7.419 -0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.526 4.895 2.707 1.00 0.00 H new ATOM 0 HZ PHE A 82 -6.956 5.457 0.754 1.00 0.00 H new ATOM 1348 N GLY A 83 -3.370 9.887 4.594 1.00 0.00 N ATOM 1349 CA GLY A 83 -4.271 9.934 5.752 1.00 0.00 C ATOM 1350 C GLY A 83 -4.804 8.550 6.123 1.00 0.00 C ATOM 1351 O GLY A 83 -4.266 7.942 7.041 1.00 0.00 O ATOM 0 H GLY A 83 -2.382 9.830 4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.742 10.359 6.605 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.108 10.597 5.533 1.00 0.00 H new ATOM 1355 N GLY A 84 -5.806 8.035 5.402 1.00 0.00 N ATOM 1356 CA GLY A 84 -6.317 6.661 5.542 1.00 0.00 C ATOM 1357 C GLY A 84 -7.814 6.502 5.232 1.00 0.00 C ATOM 1358 O GLY A 84 -8.569 7.471 5.185 1.00 0.00 O ATOM 0 H GLY A 84 -6.298 8.572 4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.750 6.007 4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.132 6.320 6.561 1.00 0.00 H new ATOM 1362 N LEU A 85 -8.270 5.260 5.015 1.00 0.00 N ATOM 1363 CA LEU A 85 -9.669 4.901 4.786 1.00 0.00 C ATOM 1364 C LEU A 85 -10.243 4.127 5.983 1.00 0.00 C ATOM 1365 O LEU A 85 -10.240 2.895 5.991 1.00 0.00 O ATOM 1366 CB LEU A 85 -9.808 4.081 3.489 1.00 0.00 C ATOM 1367 CG LEU A 85 -9.140 4.643 2.231 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -9.529 3.781 1.028 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -9.535 6.090 1.947 1.00 0.00 C ATOM 0 H LEU A 85 -7.649 4.451 4.994 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.243 5.821 4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.400 3.087 3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.871 3.956 3.280 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.064 4.623 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.056 4.176 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.196 2.756 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.612 3.796 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.031 6.434 1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.614 6.152 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.242 6.719 2.788 1.00 0.00 H new ATOM 1381 N LYS A 86 -10.740 4.830 7.006 1.00 0.00 N ATOM 1382 CA LYS A 86 -11.410 4.201 8.160 1.00 0.00 C ATOM 1383 C LYS A 86 -12.845 3.760 7.809 1.00 0.00 C ATOM 1384 O LYS A 86 -13.829 4.318 8.290 1.00 0.00 O ATOM 1385 CB LYS A 86 -11.310 5.096 9.414 1.00 0.00 C ATOM 1386 CG LYS A 86 -11.216 4.274 10.716 1.00 0.00 C ATOM 1387 CD LYS A 86 -12.434 3.376 11.001 1.00 0.00 C ATOM 1388 CE LYS A 86 -12.195 2.364 12.124 1.00 0.00 C ATOM 1389 NZ LYS A 86 -12.042 3.008 13.448 1.00 0.00 N ATOM 0 H LYS A 86 -10.692 5.847 7.062 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.884 3.281 8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -10.434 5.739 9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.181 5.749 9.462 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.324 3.649 10.671 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.083 4.959 11.553 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.285 4.004 11.263 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.702 2.840 10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.029 1.663 12.159 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.300 1.784 11.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.882 2.279 14.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.230 3.658 13.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.906 3.540 13.677 1.00 0.00 H new ATOM 1403 N LYS A 87 -12.947 2.747 6.952 1.00 0.00 N ATOM 1404 CA LYS A 87 -14.137 1.948 6.663 1.00 0.00 C ATOM 1405 C LYS A 87 -13.683 0.518 6.392 1.00 0.00 C ATOM 1406 O LYS A 87 -13.270 0.201 5.284 1.00 0.00 O ATOM 1407 CB LYS A 87 -14.889 2.513 5.450 1.00 0.00 C ATOM 1408 CG LYS A 87 -15.752 3.741 5.762 1.00 0.00 C ATOM 1409 CD LYS A 87 -16.618 4.097 4.546 1.00 0.00 C ATOM 1410 CE LYS A 87 -17.511 5.300 4.870 1.00 0.00 C ATOM 1411 NZ LYS A 87 -18.363 5.670 3.712 1.00 0.00 N ATOM 0 H LYS A 87 -12.144 2.441 6.402 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.821 1.974 7.511 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.165 2.778 4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.525 1.732 5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.387 3.540 6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.115 4.586 6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.982 4.326 3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.233 3.242 4.265 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.142 5.066 5.728 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.890 6.150 5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.955 6.487 3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.759 5.916 2.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.972 4.866 3.458 1.00 0.00 H new ATOM 1425 N GLU A 88 -13.734 -0.354 7.389 1.00 0.00 N ATOM 1426 CA GLU A 88 -13.121 -1.692 7.339 1.00 0.00 C ATOM 1427 C GLU A 88 -13.648 -2.605 6.202 1.00 0.00 C ATOM 1428 O GLU A 88 -12.916 -3.440 5.679 1.00 0.00 O ATOM 1429 CB GLU A 88 -13.246 -2.340 8.729 1.00 0.00 C ATOM 1430 CG GLU A 88 -12.249 -1.757 9.757 1.00 0.00 C ATOM 1431 CD GLU A 88 -12.388 -0.237 9.982 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -13.535 0.247 10.119 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -11.369 0.485 9.955 1.00 0.00 O ATOM 0 H GLU A 88 -14.207 -0.158 8.271 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.069 -1.565 7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.262 -2.203 9.098 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.082 -3.414 8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.387 -2.268 10.710 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.234 -1.972 9.424 1.00 0.00 H new ATOM 1440 N LYS A 89 -14.879 -2.411 5.718 1.00 0.00 N ATOM 1441 CA LYS A 89 -15.387 -3.070 4.504 1.00 0.00 C ATOM 1442 C LYS A 89 -14.722 -2.568 3.216 1.00 0.00 C ATOM 1443 O LYS A 89 -14.342 -3.361 2.362 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.905 -2.901 4.449 1.00 0.00 C ATOM 1445 CG LYS A 89 -17.575 -3.421 5.732 1.00 0.00 C ATOM 1446 CD LYS A 89 -18.859 -4.226 5.485 1.00 0.00 C ATOM 1447 CE LYS A 89 -19.967 -3.351 4.889 1.00 0.00 C ATOM 1448 NZ LYS A 89 -21.208 -4.130 4.645 1.00 0.00 N ATOM 0 H LYS A 89 -15.557 -1.789 6.158 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.131 -4.128 4.565 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.150 -1.848 4.310 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.301 -3.437 3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.865 -4.047 6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -17.808 -2.574 6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.646 -5.054 4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -19.203 -4.661 6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.183 -2.525 5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -19.621 -2.913 3.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -21.936 -3.506 4.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.007 -4.903 3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -21.551 -4.527 5.543 1.00 0.00 H new ATOM 1462 N ASP A 90 -14.581 -1.247 3.123 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.853 -0.524 2.058 1.00 0.00 C ATOM 1464 C ASP A 90 -12.381 -0.971 1.996 1.00 0.00 C ATOM 1465 O ASP A 90 -11.814 -1.172 0.921 1.00 0.00 O ATOM 1466 CB ASP A 90 -13.967 0.998 2.306 1.00 0.00 C ATOM 1467 CG ASP A 90 -14.105 1.848 1.037 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -15.092 1.598 0.319 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -13.351 2.845 0.874 1.00 0.00 O ATOM 0 H ASP A 90 -14.985 -0.615 3.814 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.301 -0.760 1.093 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.829 1.184 2.946 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -13.085 1.330 2.854 1.00 0.00 H new ATOM 1474 N ARG A 91 -11.778 -1.212 3.171 1.00 0.00 N ATOM 1475 CA ARG A 91 -10.453 -1.832 3.343 1.00 0.00 C ATOM 1476 C ARG A 91 -10.402 -3.238 2.751 1.00 0.00 C ATOM 1477 O ARG A 91 -9.499 -3.503 1.961 1.00 0.00 O ATOM 1478 CB ARG A 91 -10.018 -1.872 4.825 1.00 0.00 C ATOM 1479 CG ARG A 91 -9.931 -0.513 5.538 1.00 0.00 C ATOM 1480 CD ARG A 91 -8.520 0.059 5.553 1.00 0.00 C ATOM 1481 NE ARG A 91 -8.041 0.457 4.215 1.00 0.00 N ATOM 1482 CZ ARG A 91 -7.262 1.489 3.978 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -6.926 2.305 4.928 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -6.794 1.729 2.786 1.00 0.00 N ATOM 0 H ARG A 91 -12.215 -0.972 4.061 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.752 -1.201 2.798 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.719 -2.503 5.372 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.042 -2.354 4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.599 0.194 5.045 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.284 -0.623 6.563 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.493 0.925 6.214 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.839 -0.682 5.970 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.335 -0.108 3.418 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.267 2.151 5.877 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.321 3.101 4.726 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.030 1.109 2.011 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.191 2.537 2.628 1.00 0.00 H new ATOM 1498 N ASN A 92 -11.322 -4.137 3.119 1.00 0.00 N ATOM 1499 CA ASN A 92 -11.297 -5.534 2.661 1.00 0.00 C ATOM 1500 C ASN A 92 -11.351 -5.674 1.131 1.00 0.00 C ATOM 1501 O ASN A 92 -10.575 -6.455 0.573 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.413 -6.363 3.322 1.00 0.00 C ATOM 1503 CG ASN A 92 -12.157 -6.674 4.786 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -11.049 -6.951 5.219 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -13.190 -6.660 5.595 1.00 0.00 N ATOM 0 H ASN A 92 -12.102 -3.920 3.740 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.333 -5.932 2.977 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.356 -5.823 3.234 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.530 -7.299 2.776 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -13.067 -6.880 6.583 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.116 -6.429 5.236 1.00 0.00 H new ATOM 1512 N ASP A 93 -12.203 -4.922 0.426 1.00 0.00 N ATOM 1513 CA ASP A 93 -12.189 -4.917 -1.049 1.00 0.00 C ATOM 1514 C ASP A 93 -10.815 -4.484 -1.605 1.00 0.00 C ATOM 1515 O ASP A 93 -10.276 -5.132 -2.506 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.300 -4.011 -1.603 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.634 -4.723 -1.865 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.621 -5.841 -2.430 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.675 -4.070 -1.626 1.00 0.00 O ATOM 0 H ASP A 93 -12.906 -4.313 0.844 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.375 -5.939 -1.379 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.470 -3.196 -0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.954 -3.562 -2.534 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.222 -3.422 -1.037 1.00 0.00 N ATOM 1525 CA LEU A 94 -8.884 -2.909 -1.380 1.00 0.00 C ATOM 1526 C LEU A 94 -7.802 -3.995 -1.234 1.00 0.00 C ATOM 1527 O LEU A 94 -6.999 -4.198 -2.142 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.552 -1.681 -0.493 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.898 -0.467 -1.182 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -6.677 -0.806 -2.038 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -8.914 0.304 -2.023 1.00 0.00 C ATOM 0 H LEU A 94 -10.675 -2.878 -0.302 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.894 -2.605 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.476 -1.345 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.890 -2.012 0.307 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.539 0.156 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.281 0.106 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.911 -1.266 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.967 -1.500 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.424 1.155 -2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.324 -0.352 -2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.721 0.661 -1.382 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.793 -4.708 -0.103 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.879 -5.824 0.196 1.00 0.00 C ATOM 1545 C ILE A 95 -7.093 -6.957 -0.815 1.00 0.00 C ATOM 1546 O ILE A 95 -6.136 -7.410 -1.443 1.00 0.00 O ATOM 1547 CB ILE A 95 -7.080 -6.292 1.657 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.661 -5.181 2.644 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -6.282 -7.570 1.972 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -7.322 -5.337 4.015 1.00 0.00 C ATOM 0 H ILE A 95 -8.444 -4.520 0.659 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.845 -5.494 0.101 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.141 -6.513 1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.578 -5.194 2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.924 -4.209 2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.454 -7.860 3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.607 -8.374 1.311 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.219 -7.382 1.820 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.994 -4.531 4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.405 -5.296 3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.038 -6.296 4.449 1.00 0.00 H new ATOM 1562 N THR A 96 -8.351 -7.354 -1.042 1.00 0.00 N ATOM 1563 CA THR A 96 -8.746 -8.355 -2.050 1.00 0.00 C ATOM 1564 C THR A 96 -8.200 -8.004 -3.441 1.00 0.00 C ATOM 1565 O THR A 96 -7.770 -8.892 -4.179 1.00 0.00 O ATOM 1566 CB THR A 96 -10.279 -8.539 -2.113 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.859 -8.704 -0.835 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.650 -9.807 -2.886 1.00 0.00 C ATOM 0 H THR A 96 -9.144 -6.981 -0.519 1.00 0.00 H new ATOM 0 HA THR A 96 -8.304 -9.300 -1.734 1.00 0.00 H new ATOM 0 HB THR A 96 -10.650 -7.635 -2.595 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.955 -7.829 -0.404 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.735 -9.911 -2.915 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.265 -9.739 -3.903 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.215 -10.675 -2.391 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.164 -6.719 -3.803 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.467 -6.247 -5.002 1.00 0.00 C ATOM 1578 C TYR A 97 -5.942 -6.360 -4.898 1.00 0.00 C ATOM 1579 O TYR A 97 -5.335 -7.018 -5.738 1.00 0.00 O ATOM 1580 CB TYR A 97 -7.892 -4.817 -5.327 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.127 -4.167 -6.462 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.190 -4.703 -7.763 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.353 -3.018 -6.219 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.584 -4.031 -8.839 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.714 -2.368 -7.291 1.00 0.00 C ATOM 1586 CZ TYR A 97 -5.886 -2.828 -8.612 1.00 0.00 C ATOM 1587 OH TYR A 97 -5.408 -2.109 -9.661 1.00 0.00 O ATOM 0 H TYR A 97 -8.618 -5.976 -3.272 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.760 -6.904 -5.821 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.953 -4.816 -5.576 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.774 -4.206 -4.432 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.707 -5.636 -7.935 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.250 -2.636 -5.214 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.653 -4.436 -9.838 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.087 -1.510 -7.100 1.00 0.00 H new ATOM 0 HH TYR A 97 -5.246 -1.185 -9.377 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.305 -5.726 -3.908 1.00 0.00 N ATOM 1598 CA LEU A 98 -3.847 -5.622 -3.799 1.00 0.00 C ATOM 1599 C LEU A 98 -3.138 -6.982 -3.723 1.00 0.00 C ATOM 1600 O LEU A 98 -2.023 -7.118 -4.215 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.497 -4.738 -2.582 1.00 0.00 C ATOM 1602 CG LEU A 98 -2.795 -3.402 -2.890 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -1.425 -3.569 -3.548 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -3.665 -2.490 -3.754 1.00 0.00 C ATOM 0 H LEU A 98 -5.799 -5.262 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.479 -5.161 -4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.417 -4.524 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.858 -5.314 -1.913 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.637 -2.937 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.990 -2.588 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.770 -4.136 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.537 -4.103 -4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.134 -1.558 -3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.886 -2.986 -4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.597 -2.274 -3.231 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.808 -8.003 -3.185 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.451 -9.421 -3.319 1.00 0.00 C ATOM 1618 C LYS A 99 -3.314 -9.815 -4.804 1.00 0.00 C ATOM 1619 O LYS A 99 -2.244 -10.176 -5.273 1.00 0.00 O ATOM 1620 CB LYS A 99 -4.513 -10.242 -2.557 1.00 0.00 C ATOM 1621 CG LYS A 99 -4.095 -11.694 -2.289 1.00 0.00 C ATOM 1622 CD LYS A 99 -5.296 -12.523 -1.804 1.00 0.00 C ATOM 1623 CE LYS A 99 -4.927 -13.979 -1.488 1.00 0.00 C ATOM 1624 NZ LYS A 99 -4.143 -14.097 -0.238 1.00 0.00 N ATOM 0 H LYS A 99 -4.647 -7.862 -2.622 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.475 -9.628 -2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.724 -9.753 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.441 -10.240 -3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.686 -12.134 -3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.304 -11.718 -1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.716 -12.058 -0.912 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.074 -12.508 -2.568 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.837 -14.572 -1.402 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.353 -14.395 -2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.974 -15.101 -0.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.232 -13.609 -0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.672 -13.664 0.546 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.382 -9.658 -5.588 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.493 -9.982 -7.032 1.00 0.00 C ATOM 1640 C LYS A 100 -3.647 -9.119 -7.979 1.00 0.00 C ATOM 1641 O LYS A 100 -3.475 -9.443 -9.145 1.00 0.00 O ATOM 1642 CB LYS A 100 -5.984 -9.919 -7.377 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.443 -10.465 -8.742 1.00 0.00 C ATOM 1644 CD LYS A 100 -5.941 -11.851 -9.191 1.00 0.00 C ATOM 1645 CE LYS A 100 -6.243 -13.036 -8.253 1.00 0.00 C ATOM 1646 NZ LYS A 100 -5.140 -13.270 -7.295 1.00 0.00 N ATOM 0 H LYS A 100 -5.254 -9.278 -5.219 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.073 -10.975 -7.190 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.527 -10.461 -6.603 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.296 -8.876 -7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.533 -10.494 -8.737 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.147 -9.743 -9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.376 -12.070 -10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.861 -11.793 -9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.165 -12.841 -7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.408 -13.936 -8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.315 -14.152 -6.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.241 -13.346 -7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.088 -12.476 -6.625 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.104 -8.034 -7.455 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.066 -7.213 -8.093 1.00 0.00 C ATOM 1662 C ALA A 101 -0.661 -7.858 -8.070 1.00 0.00 C ATOM 1663 O ALA A 101 0.238 -7.401 -8.781 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.032 -5.845 -7.409 1.00 0.00 C ATOM 0 H ALA A 101 -3.378 -7.679 -6.539 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.330 -7.117 -9.146 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.265 -5.225 -7.873 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.003 -5.361 -7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.804 -5.973 -6.351 1.00 0.00 H new ATOM 1670 N THR A 102 -0.462 -8.890 -7.240 1.00 0.00 N ATOM 1671 CA THR A 102 0.813 -9.595 -7.024 1.00 0.00 C ATOM 1672 C THR A 102 0.726 -11.138 -7.058 1.00 0.00 C ATOM 1673 O THR A 102 1.777 -11.778 -7.001 1.00 0.00 O ATOM 1674 CB THR A 102 1.461 -9.113 -5.718 1.00 0.00 C ATOM 1675 OG1 THR A 102 2.783 -9.580 -5.649 1.00 0.00 O ATOM 1676 CG2 THR A 102 0.763 -9.593 -4.449 1.00 0.00 C ATOM 0 H THR A 102 -1.218 -9.275 -6.674 1.00 0.00 H new ATOM 0 HA THR A 102 1.439 -9.337 -7.878 1.00 0.00 H new ATOM 0 HB THR A 102 1.391 -8.026 -5.752 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.843 -10.458 -6.080 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.288 -9.205 -3.576 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.266 -9.235 -4.442 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.768 -10.683 -4.421 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.471 -11.734 -7.153 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.717 -13.178 -7.397 1.00 0.00 C ATOM 1686 C GLU A 103 -1.780 -13.419 -8.472 1.00 0.00 C ATOM 1687 O GLU A 103 -1.594 -14.334 -9.298 1.00 0.00 O ATOM 1688 CB GLU A 103 -1.091 -13.946 -6.103 1.00 0.00 C ATOM 1689 CG GLU A 103 -2.231 -13.332 -5.264 1.00 0.00 C ATOM 1690 CD GLU A 103 -3.191 -14.354 -4.616 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -2.793 -15.055 -3.658 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -4.395 -14.341 -4.989 1.00 0.00 O ATOM 1693 OXT GLU A 103 -2.819 -12.724 -8.414 1.00 0.00 O ATOM 0 H GLU A 103 -1.339 -11.206 -7.059 1.00 0.00 H new ATOM 0 HA GLU A 103 0.231 -13.572 -7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.373 -14.963 -6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -0.202 -14.018 -5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.792 -12.719 -4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.812 -12.665 -5.901 1.00 0.00 H new TER 1700 GLU A 103 HETATM 1701 FE HEC A 104 0.884 4.541 -0.307 1.00 0.00 FE HETATM 1702 CHA HEC A 104 4.175 3.537 0.473 1.00 0.00 C HETATM 1703 CHB HEC A 104 -0.137 1.244 -0.275 1.00 0.00 C HETATM 1704 CHC HEC A 104 -2.283 5.594 -1.214 1.00 0.00 C HETATM 1705 CHD HEC A 104 2.110 7.777 -0.980 1.00 0.00 C HETATM 1706 NA HEC A 104 1.844 2.709 0.100 1.00 0.00 N HETATM 1707 C1A HEC A 104 3.172 2.557 0.407 1.00 0.00 C HETATM 1708 C2A HEC A 104 3.395 1.146 0.625 1.00 0.00 C HETATM 1709 C3A HEC A 104 2.202 0.498 0.379 1.00 0.00 C HETATM 1710 C4A HEC A 104 1.210 1.501 0.052 1.00 0.00 C HETATM 1711 CMA HEC A 104 1.993 -0.997 0.431 1.00 0.00 C HETATM 1712 CAA HEC A 104 4.683 0.497 1.091 1.00 0.00 C HETATM 1713 CBA HEC A 104 5.742 0.286 0.000 1.00 0.00 C HETATM 1714 CGA HEC A 104 7.052 -0.359 0.499 1.00 0.00 C HETATM 1715 O1A HEC A 104 7.818 -0.884 -0.338 1.00 0.00 O HETATM 1716 O2A HEC A 104 7.370 -0.266 1.703 1.00 0.00 O HETATM 1717 NB HEC A 104 -0.910 3.592 -0.620 1.00 0.00 N HETATM 1718 C1B HEC A 104 -1.093 2.240 -0.563 1.00 0.00 C HETATM 1719 C2B HEC A 104 -2.475 1.991 -0.917 1.00 0.00 C HETATM 1720 C3B HEC A 104 -3.103 3.218 -1.037 1.00 0.00 C HETATM 1721 C4B HEC A 104 -2.073 4.228 -0.960 1.00 0.00 C HETATM 1722 CMB HEC A 104 -3.081 0.634 -1.196 1.00 0.00 C HETATM 1723 CAB HEC A 104 -4.595 3.500 -1.147 1.00 0.00 C HETATM 1724 CBB HEC A 104 -5.394 2.796 -0.047 1.00 0.00 C HETATM 1725 NC HEC A 104 0.040 6.406 -0.911 1.00 0.00 N HETATM 1726 C1C HEC A 104 -1.272 6.561 -1.239 1.00 0.00 C HETATM 1727 C2C HEC A 104 -1.438 7.908 -1.736 1.00 0.00 C HETATM 1728 C3C HEC A 104 -0.206 8.528 -1.660 1.00 0.00 C HETATM 1729 C4C HEC A 104 0.736 7.556 -1.141 1.00 0.00 C HETATM 1730 CMC HEC A 104 -2.666 8.443 -2.442 1.00 0.00 C HETATM 1731 CAC HEC A 104 0.143 9.907 -2.195 1.00 0.00 C HETATM 1732 CBC HEC A 104 -0.420 11.023 -1.315 1.00 0.00 C HETATM 1733 ND HEC A 104 2.814 5.516 -0.210 1.00 0.00 N HETATM 1734 C1D HEC A 104 3.029 6.814 -0.543 1.00 0.00 C HETATM 1735 C2D HEC A 104 4.446 7.047 -0.433 1.00 0.00 C HETATM 1736 C3D HEC A 104 5.023 5.886 0.039 1.00 0.00 C HETATM 1737 C4D HEC A 104 3.980 4.889 0.128 1.00 0.00 C HETATM 1738 CMD HEC A 104 5.137 8.305 -0.900 1.00 0.00 C HETATM 1739 CAD HEC A 104 6.459 5.710 0.465 1.00 0.00 C HETATM 1740 CBD HEC A 104 6.623 5.946 1.973 1.00 0.00 C HETATM 1741 CGD HEC A 104 8.049 6.301 2.388 1.00 0.00 C HETATM 1742 O1D HEC A 104 8.416 5.969 3.535 1.00 0.00 O HETATM 1743 O2D HEC A 104 8.767 6.934 1.592 1.00 0.00 O HETATM 0 HMD3 HEC A 104 4.975 8.433 -1.970 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 4.730 9.163 -0.366 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 6.206 8.228 -0.702 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.845 7.866 -3.349 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -3.530 8.359 -1.783 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -2.509 9.490 -2.703 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.566 0.172 -2.038 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -2.977 0.001 -0.315 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -4.138 0.750 -1.436 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 2.647 -1.481 -0.294 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 2.227 -1.362 1.431 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.954 -1.228 0.194 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 5.954 6.750 2.281 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 6.311 5.049 2.508 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -1.506 10.940 -1.272 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 -0.010 10.935 -0.309 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -0.146 11.991 -1.735 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -5.245 1.719 -0.122 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 -5.053 3.143 0.929 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -6.453 3.025 -0.164 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 5.318 -0.341 -0.784 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 5.975 1.249 -0.454 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 6.795 4.704 0.213 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 7.092 6.405 -0.086 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 5.116 1.112 1.880 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 4.444 -0.470 1.534 1.00 0.00 H new HETATM 0 HHD HEC A 104 2.492 8.771 -1.212 1.00 0.00 H new HETATM 0 HHC HEC A 104 -3.304 5.923 -1.405 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.462 0.204 -0.307 1.00 0.00 H new HETATM 0 HHA HEC A 104 5.165 3.233 0.812 1.00 0.00 H new HETATM 0 H2A HEC A 104 7.695 0.640 1.887 1.00 0.00 H new