USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 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 28 HIS HE2 : A 28 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 64 LYS NZ :NH3+ 153:sc= 0.877 (180deg=0) USER MOD Set 1.2: A 73 THR OG1 : rot 18:sc= 0.651 USER MOD Set 2.1: A 23 HIS : no HD1:sc=-0.000902 X(o=-0.0009,f=-0.028) USER MOD Set 2.2: A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0555 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0767 K(o=-0.077,f=-0.89) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0752 X(o=-0.075,f=-0.075) USER MOD Single : A 33 THR OG1 : rot -39:sc= 0.0931 USER MOD Single : A 34 ASN : amide:sc= 0.845 K(o=0.85,f=-4!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= 1.18 (180deg=0.769) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 44 SER OG : rot 180:sc=0.000781 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 140:sc= 0.0879 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 54 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -135:sc= 0.592 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc=0.000194 USER MOD Single : A 74 CYS SG : rot 99:sc= 0.241 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.0703 X(o=-0.07,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.905 16.996 -5.321 1.00 0.00 N ATOM 2 CA GLY A 1 -22.874 16.125 -4.620 1.00 0.00 C ATOM 3 C GLY A 1 -22.175 15.083 -3.757 1.00 0.00 C ATOM 4 O GLY A 1 -21.026 14.723 -4.025 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.891 17.933 -4.870 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.956 16.573 -5.269 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.185 17.095 -6.318 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.527 16.736 -3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.509 15.625 -5.351 1.00 0.00 H new ATOM 10 N SER A 2 -22.882 14.578 -2.737 1.00 0.00 N ATOM 11 CA SER A 2 -22.399 13.633 -1.702 1.00 0.00 C ATOM 12 C SER A 2 -21.250 14.154 -0.815 1.00 0.00 C ATOM 13 O SER A 2 -20.587 15.149 -1.122 1.00 0.00 O ATOM 14 CB SER A 2 -22.069 12.257 -2.309 1.00 0.00 C ATOM 15 OG SER A 2 -23.195 11.729 -2.999 1.00 0.00 O ATOM 0 H SER A 2 -23.861 14.827 -2.598 1.00 0.00 H new ATOM 0 HA SER A 2 -23.239 13.525 -1.016 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.226 12.349 -2.994 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.764 11.569 -1.520 1.00 0.00 H new ATOM 0 HG SER A 2 -22.966 10.855 -3.379 1.00 0.00 H new ATOM 21 N SER A 3 -21.024 13.491 0.323 1.00 0.00 N ATOM 22 CA SER A 3 -19.991 13.856 1.309 1.00 0.00 C ATOM 23 C SER A 3 -18.566 13.570 0.809 1.00 0.00 C ATOM 24 O SER A 3 -18.319 12.553 0.154 1.00 0.00 O ATOM 25 CB SER A 3 -20.222 13.109 2.630 1.00 0.00 C ATOM 26 OG SER A 3 -21.524 13.377 3.136 1.00 0.00 O ATOM 0 H SER A 3 -21.563 12.668 0.594 1.00 0.00 H new ATOM 0 HA SER A 3 -20.080 14.931 1.465 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.100 12.037 2.474 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.472 13.412 3.361 1.00 0.00 H new ATOM 0 HG SER A 3 -21.654 12.891 3.977 1.00 0.00 H new ATOM 32 N GLY A 4 -17.617 14.447 1.148 1.00 0.00 N ATOM 33 CA GLY A 4 -16.185 14.266 0.867 1.00 0.00 C ATOM 34 C GLY A 4 -15.499 13.262 1.807 1.00 0.00 C ATOM 35 O GLY A 4 -15.979 12.996 2.914 1.00 0.00 O ATOM 0 H GLY A 4 -17.823 15.319 1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.064 13.929 -0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.682 15.230 0.948 1.00 0.00 H new ATOM 39 N SER A 5 -14.362 12.713 1.375 1.00 0.00 N ATOM 40 CA SER A 5 -13.548 11.765 2.158 1.00 0.00 C ATOM 41 C SER A 5 -12.818 12.447 3.327 1.00 0.00 C ATOM 42 O SER A 5 -12.372 13.593 3.214 1.00 0.00 O ATOM 43 CB SER A 5 -12.518 11.065 1.259 1.00 0.00 C ATOM 44 OG SER A 5 -13.143 10.441 0.145 1.00 0.00 O ATOM 0 H SER A 5 -13.969 12.915 0.456 1.00 0.00 H new ATOM 0 HA SER A 5 -14.239 11.031 2.573 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.786 11.792 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.974 10.319 1.838 1.00 0.00 H new ATOM 0 HG SER A 5 -12.463 10.005 -0.410 1.00 0.00 H new ATOM 50 N SER A 6 -12.659 11.731 4.445 1.00 0.00 N ATOM 51 CA SER A 6 -11.961 12.221 5.647 1.00 0.00 C ATOM 52 C SER A 6 -10.432 12.203 5.490 1.00 0.00 C ATOM 53 O SER A 6 -9.869 11.267 4.914 1.00 0.00 O ATOM 54 CB SER A 6 -12.358 11.395 6.877 1.00 0.00 C ATOM 55 OG SER A 6 -13.763 11.441 7.080 1.00 0.00 O ATOM 0 H SER A 6 -13.015 10.781 4.546 1.00 0.00 H new ATOM 0 HA SER A 6 -12.269 13.258 5.783 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.038 10.361 6.746 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.845 11.778 7.759 1.00 0.00 H new ATOM 0 HG SER A 6 -13.997 10.907 7.868 1.00 0.00 H new ATOM 61 N GLY A 7 -9.754 13.211 6.050 1.00 0.00 N ATOM 62 CA GLY A 7 -8.289 13.330 6.051 1.00 0.00 C ATOM 63 C GLY A 7 -7.659 13.621 4.677 1.00 0.00 C ATOM 64 O GLY A 7 -8.348 13.933 3.700 1.00 0.00 O ATOM 0 H GLY A 7 -10.218 13.985 6.526 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.005 14.125 6.740 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.865 12.404 6.440 1.00 0.00 H new ATOM 68 N LYS A 8 -6.324 13.525 4.611 1.00 0.00 N ATOM 69 CA LYS A 8 -5.526 13.681 3.379 1.00 0.00 C ATOM 70 C LYS A 8 -5.611 12.429 2.491 1.00 0.00 C ATOM 71 O LYS A 8 -5.784 11.315 2.984 1.00 0.00 O ATOM 72 CB LYS A 8 -4.081 14.056 3.768 1.00 0.00 C ATOM 73 CG LYS A 8 -3.176 14.372 2.562 1.00 0.00 C ATOM 74 CD LYS A 8 -1.796 14.916 2.963 1.00 0.00 C ATOM 75 CE LYS A 8 -1.881 16.327 3.564 1.00 0.00 C ATOM 76 NZ LYS A 8 -0.533 16.872 3.878 1.00 0.00 N ATOM 0 H LYS A 8 -5.751 13.332 5.432 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.933 14.489 2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.106 14.922 4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.642 13.235 4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.044 13.467 1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.675 15.101 1.924 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.338 14.242 3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.146 14.934 2.088 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.388 16.991 2.864 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.484 16.300 4.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.629 17.826 4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.059 16.251 4.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.033 16.921 3.007 1.00 0.00 H new ATOM 90 N ILE A 9 -5.490 12.627 1.177 1.00 0.00 N ATOM 91 CA ILE A 9 -5.586 11.587 0.141 1.00 0.00 C ATOM 92 C ILE A 9 -4.228 11.440 -0.561 1.00 0.00 C ATOM 93 O ILE A 9 -3.556 12.437 -0.842 1.00 0.00 O ATOM 94 CB ILE A 9 -6.736 11.910 -0.844 1.00 0.00 C ATOM 95 CG1 ILE A 9 -8.079 12.085 -0.092 1.00 0.00 C ATOM 96 CG2 ILE A 9 -6.851 10.814 -1.912 1.00 0.00 C ATOM 97 CD1 ILE A 9 -9.233 12.580 -0.971 1.00 0.00 C ATOM 0 H ILE A 9 -5.315 13.553 0.786 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.828 10.627 0.597 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.504 12.853 -1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.360 11.131 0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.934 12.789 0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.664 11.057 -2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.916 10.749 -2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.055 9.857 -1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.135 12.675 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.976 13.551 -1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.409 11.867 -1.776 1.00 0.00 H new ATOM 109 N PHE A 10 -3.826 10.200 -0.843 1.00 0.00 N ATOM 110 CA PHE A 10 -2.501 9.842 -1.362 1.00 0.00 C ATOM 111 C PHE A 10 -2.634 9.059 -2.679 1.00 0.00 C ATOM 112 O PHE A 10 -3.440 8.134 -2.760 1.00 0.00 O ATOM 113 CB PHE A 10 -1.755 9.047 -0.276 1.00 0.00 C ATOM 114 CG PHE A 10 -1.589 9.799 1.034 1.00 0.00 C ATOM 115 CD1 PHE A 10 -2.574 9.705 2.035 1.00 0.00 C ATOM 116 CD2 PHE A 10 -0.463 10.619 1.239 1.00 0.00 C ATOM 117 CE1 PHE A 10 -2.434 10.426 3.236 1.00 0.00 C ATOM 118 CE2 PHE A 10 -0.323 11.339 2.439 1.00 0.00 C ATOM 119 CZ PHE A 10 -1.307 11.238 3.439 1.00 0.00 C ATOM 0 H PHE A 10 -4.432 9.390 -0.713 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.923 10.737 -1.594 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.293 8.119 -0.085 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.770 8.772 -0.653 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.440 9.078 1.881 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.295 10.695 0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.193 10.354 4.001 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.540 11.970 2.593 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.195 11.785 4.363 1.00 0.00 H new ATOM 129 N THR A 11 -1.855 9.407 -3.709 1.00 0.00 N ATOM 130 CA THR A 11 -2.036 8.889 -5.080 1.00 0.00 C ATOM 131 C THR A 11 -0.723 8.387 -5.692 1.00 0.00 C ATOM 132 O THR A 11 0.305 9.065 -5.611 1.00 0.00 O ATOM 133 CB THR A 11 -2.666 9.975 -5.972 1.00 0.00 C ATOM 134 OG1 THR A 11 -3.834 10.498 -5.367 1.00 0.00 O ATOM 135 CG2 THR A 11 -3.089 9.447 -7.339 1.00 0.00 C ATOM 0 H THR A 11 -1.076 10.059 -3.620 1.00 0.00 H new ATOM 0 HA THR A 11 -2.707 8.032 -5.021 1.00 0.00 H new ATOM 0 HB THR A 11 -1.894 10.734 -6.095 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.221 11.188 -5.945 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.526 10.257 -7.923 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.218 9.052 -7.862 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.826 8.654 -7.211 1.00 0.00 H new ATOM 143 N CYS A 12 -0.763 7.213 -6.332 1.00 0.00 N ATOM 144 CA CYS A 12 0.364 6.590 -7.028 1.00 0.00 C ATOM 145 C CYS A 12 0.679 7.295 -8.360 1.00 0.00 C ATOM 146 O CYS A 12 -0.211 7.571 -9.167 1.00 0.00 O ATOM 147 CB CYS A 12 0.036 5.103 -7.201 1.00 0.00 C ATOM 148 SG CYS A 12 1.380 4.230 -8.067 1.00 0.00 S ATOM 0 H CYS A 12 -1.613 6.652 -6.380 1.00 0.00 H new ATOM 0 HA CYS A 12 1.276 6.692 -6.440 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -0.127 4.648 -6.224 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.892 4.995 -7.762 1.00 0.00 H new ATOM 153 N GLU A 13 1.963 7.563 -8.607 1.00 0.00 N ATOM 154 CA GLU A 13 2.447 8.204 -9.837 1.00 0.00 C ATOM 155 C GLU A 13 2.645 7.225 -11.013 1.00 0.00 C ATOM 156 O GLU A 13 2.851 7.664 -12.147 1.00 0.00 O ATOM 157 CB GLU A 13 3.718 9.020 -9.538 1.00 0.00 C ATOM 158 CG GLU A 13 4.941 8.168 -9.170 1.00 0.00 C ATOM 159 CD GLU A 13 6.154 9.065 -8.856 1.00 0.00 C ATOM 160 OE1 GLU A 13 6.856 9.500 -9.802 1.00 0.00 O ATOM 161 OE2 GLU A 13 6.412 9.353 -7.661 1.00 0.00 O ATOM 0 H GLU A 13 2.709 7.338 -7.949 1.00 0.00 H new ATOM 0 HA GLU A 13 1.664 8.883 -10.175 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.961 9.626 -10.411 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.510 9.709 -8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.710 7.545 -8.306 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.183 7.495 -9.993 1.00 0.00 H new ATOM 168 N TYR A 14 2.570 5.911 -10.762 1.00 0.00 N ATOM 169 CA TYR A 14 2.842 4.862 -11.756 1.00 0.00 C ATOM 170 C TYR A 14 1.576 4.179 -12.306 1.00 0.00 C ATOM 171 O TYR A 14 1.570 3.779 -13.473 1.00 0.00 O ATOM 172 CB TYR A 14 3.777 3.814 -11.139 1.00 0.00 C ATOM 173 CG TYR A 14 5.148 4.313 -10.721 1.00 0.00 C ATOM 174 CD1 TYR A 14 6.178 4.418 -11.675 1.00 0.00 C ATOM 175 CD2 TYR A 14 5.409 4.619 -9.369 1.00 0.00 C ATOM 176 CE1 TYR A 14 7.468 4.822 -11.282 1.00 0.00 C ATOM 177 CE2 TYR A 14 6.700 5.017 -8.969 1.00 0.00 C ATOM 178 CZ TYR A 14 7.734 5.121 -9.928 1.00 0.00 C ATOM 179 OH TYR A 14 8.987 5.500 -9.556 1.00 0.00 O ATOM 0 H TYR A 14 2.314 5.540 -9.847 1.00 0.00 H new ATOM 0 HA TYR A 14 3.312 5.351 -12.609 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.285 3.386 -10.265 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.910 3.005 -11.858 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.978 4.188 -12.711 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.617 4.548 -8.638 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.255 4.903 -12.017 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.900 5.242 -7.932 1.00 0.00 H new ATOM 0 HH TYR A 14 9.004 5.671 -8.591 1.00 0.00 H new ATOM 189 N CYS A 15 0.514 4.049 -11.494 1.00 0.00 N ATOM 190 CA CYS A 15 -0.752 3.394 -11.870 1.00 0.00 C ATOM 191 C CYS A 15 -2.032 4.192 -11.515 1.00 0.00 C ATOM 192 O CYS A 15 -3.148 3.726 -11.763 1.00 0.00 O ATOM 193 CB CYS A 15 -0.762 1.949 -11.343 1.00 0.00 C ATOM 194 SG CYS A 15 -0.851 1.882 -9.541 1.00 0.00 S ATOM 0 H CYS A 15 0.510 4.403 -10.538 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.787 3.368 -12.959 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.612 1.415 -11.767 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.138 1.435 -11.680 1.00 0.00 H new ATOM 199 N ASN A 16 -1.882 5.413 -10.980 1.00 0.00 N ATOM 200 CA ASN A 16 -2.963 6.344 -10.623 1.00 0.00 C ATOM 201 C ASN A 16 -3.990 5.805 -9.592 1.00 0.00 C ATOM 202 O ASN A 16 -5.105 6.326 -9.486 1.00 0.00 O ATOM 203 CB ASN A 16 -3.581 6.932 -11.911 1.00 0.00 C ATOM 204 CG ASN A 16 -4.356 8.225 -11.696 1.00 0.00 C ATOM 205 OD1 ASN A 16 -4.089 9.018 -10.801 1.00 0.00 O ATOM 206 ND2 ASN A 16 -5.317 8.514 -12.546 1.00 0.00 N ATOM 0 H ASN A 16 -0.959 5.796 -10.775 1.00 0.00 H new ATOM 0 HA ASN A 16 -2.516 7.164 -10.060 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.785 7.114 -12.633 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.247 6.191 -12.352 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.831 9.390 -12.456 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.548 7.862 -13.295 1.00 0.00 H new ATOM 213 N LYS A 17 -3.628 4.776 -8.812 1.00 0.00 N ATOM 214 CA LYS A 17 -4.411 4.307 -7.654 1.00 0.00 C ATOM 215 C LYS A 17 -4.404 5.332 -6.520 1.00 0.00 C ATOM 216 O LYS A 17 -3.447 6.091 -6.358 1.00 0.00 O ATOM 217 CB LYS A 17 -3.883 2.964 -7.136 1.00 0.00 C ATOM 218 CG LYS A 17 -4.213 1.805 -8.080 1.00 0.00 C ATOM 219 CD LYS A 17 -3.671 0.496 -7.486 1.00 0.00 C ATOM 220 CE LYS A 17 -3.510 -0.613 -8.528 1.00 0.00 C ATOM 221 NZ LYS A 17 -4.808 -1.040 -9.113 1.00 0.00 N ATOM 0 H LYS A 17 -2.775 4.239 -8.967 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.437 4.176 -7.997 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.803 3.027 -7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.311 2.763 -6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.291 1.734 -8.224 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.772 1.983 -9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.706 0.689 -7.017 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.345 0.154 -6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.853 -0.265 -9.325 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.023 -1.472 -8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.643 -1.792 -9.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.428 -1.398 -8.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.263 -0.229 -9.578 1.00 0.00 H new ATOM 235 N VAL A 18 -5.467 5.307 -5.721 1.00 0.00 N ATOM 236 CA VAL A 18 -5.724 6.249 -4.615 1.00 0.00 C ATOM 237 C VAL A 18 -5.843 5.501 -3.280 1.00 0.00 C ATOM 238 O VAL A 18 -6.478 4.447 -3.199 1.00 0.00 O ATOM 239 CB VAL A 18 -6.970 7.112 -4.901 1.00 0.00 C ATOM 240 CG1 VAL A 18 -7.189 8.161 -3.807 1.00 0.00 C ATOM 241 CG2 VAL A 18 -6.843 7.876 -6.227 1.00 0.00 C ATOM 0 H VAL A 18 -6.204 4.609 -5.822 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.874 6.926 -4.537 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.807 6.415 -4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.075 8.751 -4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.328 7.663 -2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.320 8.817 -3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.741 8.472 -6.391 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.974 8.533 -6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.724 7.166 -7.046 1.00 0.00 H new ATOM 251 N PHE A 19 -5.235 6.062 -2.232 1.00 0.00 N ATOM 252 CA PHE A 19 -5.069 5.477 -0.900 1.00 0.00 C ATOM 253 C PHE A 19 -5.446 6.483 0.203 1.00 0.00 C ATOM 254 O PHE A 19 -5.222 7.692 0.074 1.00 0.00 O ATOM 255 CB PHE A 19 -3.617 4.987 -0.735 1.00 0.00 C ATOM 256 CG PHE A 19 -3.169 3.995 -1.797 1.00 0.00 C ATOM 257 CD1 PHE A 19 -2.591 4.458 -2.994 1.00 0.00 C ATOM 258 CD2 PHE A 19 -3.382 2.615 -1.617 1.00 0.00 C ATOM 259 CE1 PHE A 19 -2.263 3.554 -4.020 1.00 0.00 C ATOM 260 CE2 PHE A 19 -3.053 1.709 -2.644 1.00 0.00 C ATOM 261 CZ PHE A 19 -2.510 2.179 -3.853 1.00 0.00 C ATOM 0 H PHE A 19 -4.821 6.992 -2.295 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.744 4.627 -0.800 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.950 5.849 -0.755 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.511 4.524 0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.398 5.513 -3.125 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.798 2.250 -0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.821 3.915 -4.937 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.218 0.651 -2.503 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.283 1.487 -4.651 1.00 0.00 H new ATOM 271 N LYS A 20 -6.002 5.976 1.312 1.00 0.00 N ATOM 272 CA LYS A 20 -6.488 6.776 2.454 1.00 0.00 C ATOM 273 C LYS A 20 -5.368 7.249 3.396 1.00 0.00 C ATOM 274 O LYS A 20 -5.546 8.227 4.121 1.00 0.00 O ATOM 275 CB LYS A 20 -7.567 5.957 3.184 1.00 0.00 C ATOM 276 CG LYS A 20 -8.379 6.800 4.182 1.00 0.00 C ATOM 277 CD LYS A 20 -9.532 6.021 4.824 1.00 0.00 C ATOM 278 CE LYS A 20 -10.647 5.679 3.822 1.00 0.00 C ATOM 279 NZ LYS A 20 -11.776 4.971 4.482 1.00 0.00 N ATOM 0 H LYS A 20 -6.131 4.973 1.447 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.919 7.703 2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.243 5.519 2.450 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.093 5.131 3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.715 7.166 4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.780 7.674 3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.145 5.100 5.259 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.951 6.608 5.641 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.013 6.594 3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.242 5.056 3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.510 4.756 3.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.431 4.085 4.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.178 5.576 5.226 1.00 0.00 H new ATOM 293 N PHE A 21 -4.212 6.578 3.377 1.00 0.00 N ATOM 294 CA PHE A 21 -3.094 6.815 4.300 1.00 0.00 C ATOM 295 C PHE A 21 -1.731 6.795 3.592 1.00 0.00 C ATOM 296 O PHE A 21 -1.540 6.090 2.596 1.00 0.00 O ATOM 297 CB PHE A 21 -3.129 5.769 5.424 1.00 0.00 C ATOM 298 CG PHE A 21 -4.442 5.683 6.183 1.00 0.00 C ATOM 299 CD1 PHE A 21 -4.807 6.702 7.084 1.00 0.00 C ATOM 300 CD2 PHE A 21 -5.308 4.590 5.981 1.00 0.00 C ATOM 301 CE1 PHE A 21 -6.029 6.629 7.776 1.00 0.00 C ATOM 302 CE2 PHE A 21 -6.528 4.515 6.677 1.00 0.00 C ATOM 303 CZ PHE A 21 -6.890 5.535 7.574 1.00 0.00 C ATOM 0 H PHE A 21 -4.022 5.836 2.703 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.215 7.815 4.718 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.910 4.791 4.996 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.332 5.993 6.133 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.147 7.542 7.244 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.034 3.807 5.289 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.307 7.414 8.464 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.187 3.673 6.522 1.00 0.00 H new ATOM 0 HZ PHE A 21 -7.828 5.479 8.107 1.00 0.00 H new ATOM 313 N LYS A 22 -0.758 7.534 4.143 1.00 0.00 N ATOM 314 CA LYS A 22 0.593 7.677 3.574 1.00 0.00 C ATOM 315 C LYS A 22 1.362 6.355 3.556 1.00 0.00 C ATOM 316 O LYS A 22 1.975 6.020 2.544 1.00 0.00 O ATOM 317 CB LYS A 22 1.354 8.766 4.350 1.00 0.00 C ATOM 318 CG LYS A 22 2.603 9.242 3.593 1.00 0.00 C ATOM 319 CD LYS A 22 3.300 10.382 4.347 1.00 0.00 C ATOM 320 CE LYS A 22 4.489 10.900 3.532 1.00 0.00 C ATOM 321 NZ LYS A 22 5.213 11.984 4.247 1.00 0.00 N ATOM 0 H LYS A 22 -0.887 8.057 5.009 1.00 0.00 H new ATOM 0 HA LYS A 22 0.498 7.978 2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.693 9.614 4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.647 8.379 5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.295 8.409 3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.322 9.579 2.595 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.594 11.192 4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.642 10.030 5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.175 10.078 3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.137 11.271 2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.011 12.310 3.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.565 12.778 4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.570 11.623 5.155 1.00 0.00 H new ATOM 335 N HIS A 23 1.284 5.572 4.635 1.00 0.00 N ATOM 336 CA HIS A 23 1.943 4.262 4.730 1.00 0.00 C ATOM 337 C HIS A 23 1.401 3.258 3.698 1.00 0.00 C ATOM 338 O HIS A 23 2.175 2.488 3.126 1.00 0.00 O ATOM 339 CB HIS A 23 1.837 3.716 6.162 1.00 0.00 C ATOM 340 CG HIS A 23 0.432 3.417 6.628 1.00 0.00 C ATOM 341 ND1 HIS A 23 -0.273 2.250 6.422 1.00 0.00 N ATOM 342 CD2 HIS A 23 -0.385 4.255 7.338 1.00 0.00 C ATOM 343 CE1 HIS A 23 -1.487 2.387 6.979 1.00 0.00 C ATOM 344 NE2 HIS A 23 -1.598 3.594 7.564 1.00 0.00 N ATOM 0 H HIS A 23 0.760 5.828 5.472 1.00 0.00 H new ATOM 0 HA HIS A 23 2.997 4.403 4.492 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.429 2.803 6.232 1.00 0.00 H new ATOM 0 HB3 HIS A 23 2.284 4.439 6.845 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -0.137 5.253 7.667 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -2.263 1.636 6.960 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.406 3.955 8.071 1.00 0.00 H new ATOM 352 N SER A 24 0.098 3.308 3.397 1.00 0.00 N ATOM 353 CA SER A 24 -0.530 2.473 2.361 1.00 0.00 C ATOM 354 C SER A 24 0.024 2.780 0.967 1.00 0.00 C ATOM 355 O SER A 24 0.373 1.850 0.235 1.00 0.00 O ATOM 356 CB SER A 24 -2.053 2.639 2.369 1.00 0.00 C ATOM 357 OG SER A 24 -2.579 2.294 3.641 1.00 0.00 O ATOM 0 H SER A 24 -0.557 3.933 3.868 1.00 0.00 H new ATOM 0 HA SER A 24 -0.287 1.437 2.599 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.315 3.669 2.127 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.499 2.008 1.600 1.00 0.00 H new ATOM 0 HG SER A 24 -3.553 2.406 3.634 1.00 0.00 H new ATOM 363 N LEU A 25 0.203 4.063 0.617 1.00 0.00 N ATOM 364 CA LEU A 25 0.881 4.446 -0.626 1.00 0.00 C ATOM 365 C LEU A 25 2.373 4.064 -0.607 1.00 0.00 C ATOM 366 O LEU A 25 2.861 3.486 -1.575 1.00 0.00 O ATOM 367 CB LEU A 25 0.680 5.946 -0.916 1.00 0.00 C ATOM 368 CG LEU A 25 1.434 6.420 -2.180 1.00 0.00 C ATOM 369 CD1 LEU A 25 0.953 5.721 -3.454 1.00 0.00 C ATOM 370 CD2 LEU A 25 1.265 7.919 -2.392 1.00 0.00 C ATOM 0 H LEU A 25 -0.114 4.852 1.180 1.00 0.00 H new ATOM 0 HA LEU A 25 0.425 3.883 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.384 6.148 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.019 6.526 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 25 2.479 6.167 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.518 6.094 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.106 4.646 -3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.107 5.925 -3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.806 8.223 -3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.207 8.153 -2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.661 8.455 -1.530 1.00 0.00 H new ATOM 382 N GLN A 26 3.101 4.339 0.478 1.00 0.00 N ATOM 383 CA GLN A 26 4.538 4.038 0.577 1.00 0.00 C ATOM 384 C GLN A 26 4.841 2.542 0.401 1.00 0.00 C ATOM 385 O GLN A 26 5.792 2.187 -0.297 1.00 0.00 O ATOM 386 CB GLN A 26 5.085 4.531 1.927 1.00 0.00 C ATOM 387 CG GLN A 26 5.280 6.057 1.988 1.00 0.00 C ATOM 388 CD GLN A 26 6.407 6.547 1.080 1.00 0.00 C ATOM 389 OE1 GLN A 26 6.189 7.066 -0.005 1.00 0.00 O ATOM 390 NE2 GLN A 26 7.654 6.394 1.478 1.00 0.00 N ATOM 0 H GLN A 26 2.714 4.776 1.314 1.00 0.00 H new ATOM 0 HA GLN A 26 5.034 4.564 -0.239 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.401 4.228 2.720 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.039 4.042 2.124 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.350 6.549 1.703 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.494 6.351 3.016 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.852 5.963 2.381 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.421 6.707 0.883 1.00 0.00 H new ATOM 399 N ALA A 27 4.013 1.664 0.970 1.00 0.00 N ATOM 400 CA ALA A 27 4.122 0.219 0.781 1.00 0.00 C ATOM 401 C ALA A 27 3.683 -0.230 -0.627 1.00 0.00 C ATOM 402 O ALA A 27 4.293 -1.135 -1.198 1.00 0.00 O ATOM 403 CB ALA A 27 3.304 -0.462 1.878 1.00 0.00 C ATOM 0 H ALA A 27 3.243 1.939 1.579 1.00 0.00 H new ATOM 0 HA ALA A 27 5.168 -0.076 0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.368 -1.544 1.761 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.698 -0.179 2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.262 -0.150 1.802 1.00 0.00 H new ATOM 409 N HIS A 28 2.677 0.428 -1.217 1.00 0.00 N ATOM 410 CA HIS A 28 2.237 0.165 -2.591 1.00 0.00 C ATOM 411 C HIS A 28 3.322 0.515 -3.622 1.00 0.00 C ATOM 412 O HIS A 28 3.581 -0.273 -4.531 1.00 0.00 O ATOM 413 CB HIS A 28 0.936 0.935 -2.878 1.00 0.00 C ATOM 414 CG HIS A 28 0.558 0.896 -4.333 1.00 0.00 C ATOM 415 ND1 HIS A 28 -0.013 -0.164 -4.991 1.00 0.00 N ATOM 416 CD2 HIS A 28 0.839 1.853 -5.270 1.00 0.00 C ATOM 417 CE1 HIS A 28 -0.072 0.133 -6.296 1.00 0.00 C ATOM 418 NE2 HIS A 28 0.448 1.362 -6.531 1.00 0.00 N ATOM 0 H HIS A 28 2.143 1.162 -0.751 1.00 0.00 H new ATOM 0 HA HIS A 28 2.048 -0.904 -2.685 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.127 0.511 -2.283 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.053 1.972 -2.563 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -0.337 -1.030 -4.560 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.284 2.818 -5.076 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -0.478 -0.518 -7.056 1.00 0.00 H new ATOM 426 N LEU A 29 3.995 1.662 -3.479 1.00 0.00 N ATOM 427 CA LEU A 29 5.008 2.145 -4.430 1.00 0.00 C ATOM 428 C LEU A 29 6.174 1.161 -4.633 1.00 0.00 C ATOM 429 O LEU A 29 6.788 1.163 -5.704 1.00 0.00 O ATOM 430 CB LEU A 29 5.525 3.524 -3.976 1.00 0.00 C ATOM 431 CG LEU A 29 4.541 4.689 -4.210 1.00 0.00 C ATOM 432 CD1 LEU A 29 5.054 5.947 -3.511 1.00 0.00 C ATOM 433 CD2 LEU A 29 4.363 5.020 -5.693 1.00 0.00 C ATOM 0 H LEU A 29 3.851 2.291 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 29 4.522 2.232 -5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.764 3.476 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.455 3.740 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 29 3.580 4.370 -3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.356 6.767 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.142 5.759 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.031 6.214 -3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.661 5.847 -5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.325 5.304 -6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.977 4.146 -6.217 1.00 0.00 H new ATOM 445 N ARG A 30 6.444 0.269 -3.668 1.00 0.00 N ATOM 446 CA ARG A 30 7.518 -0.738 -3.760 1.00 0.00 C ATOM 447 C ARG A 30 7.327 -1.762 -4.886 1.00 0.00 C ATOM 448 O ARG A 30 8.321 -2.330 -5.331 1.00 0.00 O ATOM 449 CB ARG A 30 7.732 -1.429 -2.403 1.00 0.00 C ATOM 450 CG ARG A 30 8.025 -0.418 -1.280 1.00 0.00 C ATOM 451 CD ARG A 30 8.867 -1.022 -0.150 1.00 0.00 C ATOM 452 NE ARG A 30 10.256 -1.243 -0.593 1.00 0.00 N ATOM 453 CZ ARG A 30 11.272 -1.682 0.125 1.00 0.00 C ATOM 454 NH1 ARG A 30 11.151 -2.024 1.377 1.00 0.00 N ATOM 455 NH2 ARG A 30 12.441 -1.782 -0.433 1.00 0.00 N ATOM 0 H ARG A 30 5.920 0.224 -2.794 1.00 0.00 H new ATOM 0 HA ARG A 30 8.421 -0.188 -4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.844 -2.008 -2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.560 -2.133 -2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.548 0.443 -1.698 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.083 -0.051 -0.871 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.857 -0.356 0.713 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.428 -1.967 0.172 1.00 0.00 H new ATOM 0 HE ARG A 30 10.455 -1.031 -1.571 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.244 -1.957 1.839 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.963 -2.359 1.895 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.563 -1.523 -1.412 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.237 -2.120 0.108 1.00 0.00 H new ATOM 469 N ILE A 31 6.108 -1.962 -5.400 1.00 0.00 N ATOM 470 CA ILE A 31 5.864 -2.814 -6.580 1.00 0.00 C ATOM 471 C ILE A 31 6.399 -2.186 -7.881 1.00 0.00 C ATOM 472 O ILE A 31 6.712 -2.900 -8.834 1.00 0.00 O ATOM 473 CB ILE A 31 4.375 -3.193 -6.715 1.00 0.00 C ATOM 474 CG1 ILE A 31 3.531 -2.055 -7.331 1.00 0.00 C ATOM 475 CG2 ILE A 31 3.828 -3.740 -5.381 1.00 0.00 C ATOM 476 CD1 ILE A 31 2.026 -2.299 -7.272 1.00 0.00 C ATOM 0 H ILE A 31 5.262 -1.541 -5.015 1.00 0.00 H new ATOM 0 HA ILE A 31 6.427 -3.733 -6.415 1.00 0.00 H new ATOM 0 HB ILE A 31 4.291 -4.008 -7.434 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.759 -1.125 -6.811 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.827 -1.919 -8.371 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.776 -4.001 -5.499 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.392 -4.627 -5.093 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.928 -2.979 -4.607 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.503 -1.456 -7.724 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.784 -3.211 -7.817 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.715 -2.404 -6.233 1.00 0.00 H new ATOM 488 N HIS A 32 6.502 -0.852 -7.913 1.00 0.00 N ATOM 489 CA HIS A 32 6.959 -0.064 -9.061 1.00 0.00 C ATOM 490 C HIS A 32 8.439 0.345 -8.940 1.00 0.00 C ATOM 491 O HIS A 32 9.187 0.244 -9.914 1.00 0.00 O ATOM 492 CB HIS A 32 6.082 1.190 -9.203 1.00 0.00 C ATOM 493 CG HIS A 32 4.589 0.957 -9.263 1.00 0.00 C ATOM 494 ND1 HIS A 32 3.887 0.365 -10.287 1.00 0.00 N ATOM 495 CD2 HIS A 32 3.667 1.441 -8.376 1.00 0.00 C ATOM 496 CE1 HIS A 32 2.575 0.495 -10.033 1.00 0.00 C ATOM 497 NE2 HIS A 32 2.375 1.169 -8.874 1.00 0.00 N ATOM 0 H HIS A 32 6.260 -0.272 -7.110 1.00 0.00 H new ATOM 0 HA HIS A 32 6.869 -0.691 -9.948 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.292 1.852 -8.363 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.383 1.718 -10.108 1.00 0.00 H new ATOM 0 HD1 HIS A 32 4.294 -0.095 -11.101 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.891 1.947 -7.449 1.00 0.00 H new ATOM 0 HE1 HIS A 32 1.787 0.115 -10.666 1.00 0.00 H new ATOM 505 N THR A 33 8.869 0.804 -7.756 1.00 0.00 N ATOM 506 CA THR A 33 10.202 1.413 -7.548 1.00 0.00 C ATOM 507 C THR A 33 11.304 0.422 -7.139 1.00 0.00 C ATOM 508 O THR A 33 12.478 0.793 -7.125 1.00 0.00 O ATOM 509 CB THR A 33 10.110 2.623 -6.597 1.00 0.00 C ATOM 510 OG1 THR A 33 11.204 3.497 -6.785 1.00 0.00 O ATOM 511 CG2 THR A 33 10.046 2.269 -5.110 1.00 0.00 C ATOM 0 H THR A 33 8.303 0.766 -6.908 1.00 0.00 H new ATOM 0 HA THR A 33 10.523 1.770 -8.526 1.00 0.00 H new ATOM 0 HB THR A 33 9.165 3.097 -6.862 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.020 2.974 -6.929 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.983 3.184 -4.521 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.167 1.654 -4.920 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.943 1.717 -4.828 1.00 0.00 H new ATOM 519 N ASN A 34 10.961 -0.839 -6.835 1.00 0.00 N ATOM 520 CA ASN A 34 11.918 -1.924 -6.579 1.00 0.00 C ATOM 521 C ASN A 34 11.629 -3.150 -7.464 1.00 0.00 C ATOM 522 O ASN A 34 10.474 -3.486 -7.734 1.00 0.00 O ATOM 523 CB ASN A 34 11.912 -2.318 -5.088 1.00 0.00 C ATOM 524 CG ASN A 34 12.242 -1.197 -4.119 1.00 0.00 C ATOM 525 OD1 ASN A 34 11.503 -0.917 -3.183 1.00 0.00 O ATOM 526 ND2 ASN A 34 13.381 -0.558 -4.249 1.00 0.00 N ATOM 0 H ASN A 34 9.989 -1.138 -6.759 1.00 0.00 H new ATOM 0 HA ASN A 34 12.911 -1.555 -6.835 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.928 -2.714 -4.838 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.628 -3.126 -4.940 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.642 0.162 -3.575 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.006 -0.781 -5.024 1.00 0.00 H new ATOM 533 N GLU A 35 12.682 -3.851 -7.887 1.00 0.00 N ATOM 534 CA GLU A 35 12.595 -5.102 -8.651 1.00 0.00 C ATOM 535 C GLU A 35 12.127 -6.265 -7.756 1.00 0.00 C ATOM 536 O GLU A 35 12.694 -6.497 -6.683 1.00 0.00 O ATOM 537 CB GLU A 35 13.947 -5.446 -9.307 1.00 0.00 C ATOM 538 CG GLU A 35 14.578 -4.310 -10.133 1.00 0.00 C ATOM 539 CD GLU A 35 15.619 -3.502 -9.324 1.00 0.00 C ATOM 540 OE1 GLU A 35 15.241 -2.798 -8.355 1.00 0.00 O ATOM 541 OE2 GLU A 35 16.828 -3.563 -9.657 1.00 0.00 O ATOM 0 H GLU A 35 13.643 -3.560 -7.705 1.00 0.00 H new ATOM 0 HA GLU A 35 11.857 -4.955 -9.440 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.648 -5.740 -8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.810 -6.312 -9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 35 15.056 -4.730 -11.018 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.793 -3.639 -10.483 1.00 0.00 H new ATOM 548 N LYS A 36 11.097 -7.007 -8.193 1.00 0.00 N ATOM 549 CA LYS A 36 10.475 -8.117 -7.444 1.00 0.00 C ATOM 550 C LYS A 36 10.138 -9.299 -8.375 1.00 0.00 C ATOM 551 O LYS A 36 9.612 -9.064 -9.467 1.00 0.00 O ATOM 552 CB LYS A 36 9.217 -7.608 -6.713 1.00 0.00 C ATOM 553 CG LYS A 36 9.556 -6.632 -5.570 1.00 0.00 C ATOM 554 CD LYS A 36 8.302 -6.196 -4.799 1.00 0.00 C ATOM 555 CE LYS A 36 8.612 -5.123 -3.746 1.00 0.00 C ATOM 556 NZ LYS A 36 9.453 -5.636 -2.627 1.00 0.00 N ATOM 0 H LYS A 36 10.660 -6.849 -9.101 1.00 0.00 H new ATOM 0 HA LYS A 36 11.187 -8.483 -6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.561 -7.112 -7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.666 -8.458 -6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.258 -7.106 -4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.055 -5.753 -5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.562 -5.811 -5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.858 -7.064 -4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.123 -4.288 -4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.676 -4.735 -3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.631 -4.870 -1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.957 -6.415 -2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.359 -5.981 -3.004 1.00 0.00 H new ATOM 570 N PRO A 37 10.417 -10.560 -7.992 1.00 0.00 N ATOM 571 CA PRO A 37 10.235 -11.728 -8.863 1.00 0.00 C ATOM 572 C PRO A 37 8.771 -12.136 -9.094 1.00 0.00 C ATOM 573 O PRO A 37 8.384 -12.394 -10.236 1.00 0.00 O ATOM 574 CB PRO A 37 11.031 -12.859 -8.196 1.00 0.00 C ATOM 575 CG PRO A 37 11.077 -12.463 -6.722 1.00 0.00 C ATOM 576 CD PRO A 37 11.143 -10.942 -6.790 1.00 0.00 C ATOM 0 HA PRO A 37 10.590 -11.492 -9.866 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.544 -13.824 -8.334 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.033 -12.944 -8.617 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.195 -12.807 -6.182 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.945 -12.884 -6.216 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.694 -10.492 -5.904 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.176 -10.598 -6.833 1.00 0.00 H new ATOM 584 N TYR A 38 7.943 -12.185 -8.048 1.00 0.00 N ATOM 585 CA TYR A 38 6.598 -12.778 -8.104 1.00 0.00 C ATOM 586 C TYR A 38 5.521 -11.747 -8.457 1.00 0.00 C ATOM 587 O TYR A 38 4.859 -11.195 -7.578 1.00 0.00 O ATOM 588 CB TYR A 38 6.308 -13.529 -6.794 1.00 0.00 C ATOM 589 CG TYR A 38 7.311 -14.624 -6.498 1.00 0.00 C ATOM 590 CD1 TYR A 38 7.356 -15.774 -7.309 1.00 0.00 C ATOM 591 CD2 TYR A 38 8.228 -14.471 -5.444 1.00 0.00 C ATOM 592 CE1 TYR A 38 8.323 -16.770 -7.067 1.00 0.00 C ATOM 593 CE2 TYR A 38 9.204 -15.457 -5.204 1.00 0.00 C ATOM 594 CZ TYR A 38 9.256 -16.608 -6.018 1.00 0.00 C ATOM 595 OH TYR A 38 10.201 -17.558 -5.780 1.00 0.00 O ATOM 0 H TYR A 38 8.186 -11.812 -7.130 1.00 0.00 H new ATOM 0 HA TYR A 38 6.570 -13.503 -8.918 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.303 -12.817 -5.968 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.310 -13.964 -6.846 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.649 -15.893 -8.117 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.184 -13.594 -4.816 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.351 -17.657 -7.683 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.912 -15.332 -4.398 1.00 0.00 H new ATOM 0 HH TYR A 38 10.758 -17.282 -5.023 1.00 0.00 H new ATOM 605 N LYS A 39 5.351 -11.483 -9.759 1.00 0.00 N ATOM 606 CA LYS A 39 4.277 -10.626 -10.301 1.00 0.00 C ATOM 607 C LYS A 39 2.914 -11.332 -10.268 1.00 0.00 C ATOM 608 O LYS A 39 2.820 -12.534 -10.523 1.00 0.00 O ATOM 609 CB LYS A 39 4.588 -10.167 -11.740 1.00 0.00 C ATOM 610 CG LYS A 39 5.399 -8.865 -11.849 1.00 0.00 C ATOM 611 CD LYS A 39 6.872 -8.944 -11.430 1.00 0.00 C ATOM 612 CE LYS A 39 7.668 -9.892 -12.336 1.00 0.00 C ATOM 613 NZ LYS A 39 9.129 -9.674 -12.190 1.00 0.00 N ATOM 0 H LYS A 39 5.963 -11.863 -10.481 1.00 0.00 H new ATOM 0 HA LYS A 39 4.228 -9.748 -9.657 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.135 -10.961 -12.248 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.647 -10.036 -12.274 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.355 -8.520 -12.882 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.910 -8.106 -11.239 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.315 -7.949 -11.466 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.939 -9.286 -10.397 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.425 -10.925 -12.088 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.377 -9.737 -13.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.641 -10.514 -12.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.414 -8.846 -12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.357 -9.510 -11.189 1.00 0.00 H new ATOM 627 N CYS A 40 1.858 -10.557 -10.027 1.00 0.00 N ATOM 628 CA CYS A 40 0.467 -10.972 -10.160 1.00 0.00 C ATOM 629 C CYS A 40 0.080 -11.148 -11.650 1.00 0.00 C ATOM 630 O CYS A 40 0.447 -10.311 -12.483 1.00 0.00 O ATOM 631 CB CYS A 40 -0.383 -9.916 -9.447 1.00 0.00 C ATOM 632 SG CYS A 40 -2.159 -10.275 -9.527 1.00 0.00 S ATOM 0 H CYS A 40 1.954 -9.588 -9.723 1.00 0.00 H new ATOM 0 HA CYS A 40 0.298 -11.946 -9.702 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.076 -9.853 -8.403 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.193 -8.940 -9.894 1.00 0.00 H new ATOM 637 N PRO A 41 -0.670 -12.208 -12.012 1.00 0.00 N ATOM 638 CA PRO A 41 -1.217 -12.387 -13.355 1.00 0.00 C ATOM 639 C PRO A 41 -2.434 -11.483 -13.639 1.00 0.00 C ATOM 640 O PRO A 41 -2.875 -11.418 -14.789 1.00 0.00 O ATOM 641 CB PRO A 41 -1.571 -13.876 -13.433 1.00 0.00 C ATOM 642 CG PRO A 41 -1.945 -14.228 -11.994 1.00 0.00 C ATOM 643 CD PRO A 41 -1.021 -13.337 -11.164 1.00 0.00 C ATOM 0 HA PRO A 41 -0.496 -12.094 -14.118 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.399 -14.057 -14.119 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.729 -14.471 -13.786 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.995 -14.020 -11.789 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.782 -15.285 -11.783 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.520 -13.000 -10.255 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.130 -13.883 -10.855 1.00 0.00 H new ATOM 651 N GLN A 42 -2.992 -10.802 -12.626 1.00 0.00 N ATOM 652 CA GLN A 42 -4.227 -10.008 -12.740 1.00 0.00 C ATOM 653 C GLN A 42 -4.033 -8.488 -12.560 1.00 0.00 C ATOM 654 O GLN A 42 -4.821 -7.731 -13.132 1.00 0.00 O ATOM 655 CB GLN A 42 -5.272 -10.537 -11.741 1.00 0.00 C ATOM 656 CG GLN A 42 -5.716 -11.991 -11.984 1.00 0.00 C ATOM 657 CD GLN A 42 -6.503 -12.217 -13.278 1.00 0.00 C ATOM 658 OE1 GLN A 42 -6.957 -11.305 -13.960 1.00 0.00 O ATOM 659 NE2 GLN A 42 -6.718 -13.458 -13.665 1.00 0.00 N ATOM 0 H GLN A 42 -2.591 -10.787 -11.688 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.574 -10.133 -13.766 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.863 -10.460 -10.734 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.150 -9.892 -11.779 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.832 -12.628 -11.998 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.329 -12.314 -11.142 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.351 -14.235 -13.115 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.252 -13.642 -14.515 1.00 0.00 H new ATOM 668 N CYS A 43 -3.023 -8.021 -11.807 1.00 0.00 N ATOM 669 CA CYS A 43 -2.774 -6.589 -11.586 1.00 0.00 C ATOM 670 C CYS A 43 -1.270 -6.232 -11.526 1.00 0.00 C ATOM 671 O CYS A 43 -0.398 -7.061 -11.808 1.00 0.00 O ATOM 672 CB CYS A 43 -3.574 -6.144 -10.347 1.00 0.00 C ATOM 673 SG CYS A 43 -2.905 -6.855 -8.831 1.00 0.00 S ATOM 0 H CYS A 43 -2.355 -8.629 -11.334 1.00 0.00 H new ATOM 0 HA CYS A 43 -3.127 -6.023 -12.448 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.560 -5.056 -10.276 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.616 -6.443 -10.460 1.00 0.00 H new ATOM 678 N SER A 44 -0.959 -4.975 -11.195 1.00 0.00 N ATOM 679 CA SER A 44 0.407 -4.429 -11.116 1.00 0.00 C ATOM 680 C SER A 44 1.227 -4.930 -9.913 1.00 0.00 C ATOM 681 O SER A 44 2.429 -4.665 -9.838 1.00 0.00 O ATOM 682 CB SER A 44 0.342 -2.896 -11.120 1.00 0.00 C ATOM 683 OG SER A 44 -0.491 -2.416 -10.073 1.00 0.00 O ATOM 0 H SER A 44 -1.673 -4.283 -10.966 1.00 0.00 H new ATOM 0 HA SER A 44 0.937 -4.796 -11.995 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.346 -2.486 -11.007 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.038 -2.548 -12.080 1.00 0.00 H new ATOM 0 HG SER A 44 -0.514 -1.437 -10.096 1.00 0.00 H new ATOM 689 N TYR A 45 0.603 -5.662 -8.983 1.00 0.00 N ATOM 690 CA TYR A 45 1.222 -6.239 -7.789 1.00 0.00 C ATOM 691 C TYR A 45 2.441 -7.121 -8.099 1.00 0.00 C ATOM 692 O TYR A 45 2.438 -7.917 -9.040 1.00 0.00 O ATOM 693 CB TYR A 45 0.157 -7.052 -7.043 1.00 0.00 C ATOM 694 CG TYR A 45 0.649 -7.766 -5.792 1.00 0.00 C ATOM 695 CD1 TYR A 45 1.220 -9.055 -5.877 1.00 0.00 C ATOM 696 CD2 TYR A 45 0.530 -7.140 -4.535 1.00 0.00 C ATOM 697 CE1 TYR A 45 1.650 -9.722 -4.714 1.00 0.00 C ATOM 698 CE2 TYR A 45 0.956 -7.805 -3.370 1.00 0.00 C ATOM 699 CZ TYR A 45 1.510 -9.100 -3.454 1.00 0.00 C ATOM 700 OH TYR A 45 1.900 -9.744 -2.320 1.00 0.00 O ATOM 0 H TYR A 45 -0.392 -5.877 -9.047 1.00 0.00 H new ATOM 0 HA TYR A 45 1.596 -5.419 -7.176 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.659 -6.385 -6.765 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.257 -7.793 -7.727 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.327 -9.532 -6.840 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.111 -6.147 -4.465 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.086 -10.707 -4.785 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.859 -7.323 -2.409 1.00 0.00 H new ATOM 0 HH TYR A 45 1.733 -9.170 -1.544 1.00 0.00 H new ATOM 710 N ALA A 46 3.467 -7.011 -7.254 1.00 0.00 N ATOM 711 CA ALA A 46 4.618 -7.912 -7.225 1.00 0.00 C ATOM 712 C ALA A 46 5.138 -8.133 -5.791 1.00 0.00 C ATOM 713 O ALA A 46 5.050 -7.235 -4.950 1.00 0.00 O ATOM 714 CB ALA A 46 5.708 -7.375 -8.159 1.00 0.00 C ATOM 0 H ALA A 46 3.521 -6.273 -6.552 1.00 0.00 H new ATOM 0 HA ALA A 46 4.307 -8.893 -7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.567 -8.045 -8.139 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.319 -7.314 -9.175 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.014 -6.383 -7.828 1.00 0.00 H new ATOM 720 N SER A 47 5.721 -9.307 -5.522 1.00 0.00 N ATOM 721 CA SER A 47 6.312 -9.676 -4.224 1.00 0.00 C ATOM 722 C SER A 47 7.684 -10.348 -4.355 1.00 0.00 C ATOM 723 O SER A 47 8.032 -10.907 -5.396 1.00 0.00 O ATOM 724 CB SER A 47 5.362 -10.600 -3.452 1.00 0.00 C ATOM 725 OG SER A 47 5.780 -10.695 -2.098 1.00 0.00 O ATOM 0 H SER A 47 5.798 -10.049 -6.218 1.00 0.00 H new ATOM 0 HA SER A 47 6.460 -8.744 -3.678 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.344 -10.214 -3.502 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.351 -11.589 -3.909 1.00 0.00 H new ATOM 0 HG SER A 47 4.995 -10.685 -1.512 1.00 0.00 H new ATOM 731 N ALA A 48 8.456 -10.322 -3.267 1.00 0.00 N ATOM 732 CA ALA A 48 9.691 -11.087 -3.099 1.00 0.00 C ATOM 733 C ALA A 48 9.446 -12.514 -2.559 1.00 0.00 C ATOM 734 O ALA A 48 10.384 -13.310 -2.487 1.00 0.00 O ATOM 735 CB ALA A 48 10.634 -10.281 -2.199 1.00 0.00 C ATOM 0 H ALA A 48 8.231 -9.750 -2.453 1.00 0.00 H new ATOM 0 HA ALA A 48 10.152 -11.236 -4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.564 -10.833 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.849 -9.320 -2.666 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.161 -10.116 -1.231 1.00 0.00 H new ATOM 741 N ILE A 49 8.200 -12.848 -2.181 1.00 0.00 N ATOM 742 CA ILE A 49 7.821 -14.120 -1.548 1.00 0.00 C ATOM 743 C ILE A 49 6.646 -14.761 -2.302 1.00 0.00 C ATOM 744 O ILE A 49 5.587 -14.153 -2.465 1.00 0.00 O ATOM 745 CB ILE A 49 7.504 -13.890 -0.046 1.00 0.00 C ATOM 746 CG1 ILE A 49 8.704 -13.229 0.676 1.00 0.00 C ATOM 747 CG2 ILE A 49 7.110 -15.211 0.639 1.00 0.00 C ATOM 748 CD1 ILE A 49 8.530 -13.019 2.184 1.00 0.00 C ATOM 0 H ILE A 49 7.406 -12.221 -2.312 1.00 0.00 H new ATOM 0 HA ILE A 49 8.655 -14.819 -1.602 1.00 0.00 H new ATOM 0 HB ILE A 49 6.655 -13.210 0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.589 -13.844 0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.898 -12.262 0.212 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.892 -15.025 1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.226 -15.623 0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.932 -15.922 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.426 -12.551 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.669 -12.375 2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.371 -13.982 2.669 1.00 0.00 H new ATOM 760 N LYS A 50 6.804 -16.024 -2.722 1.00 0.00 N ATOM 761 CA LYS A 50 5.789 -16.769 -3.498 1.00 0.00 C ATOM 762 C LYS A 50 4.525 -17.065 -2.681 1.00 0.00 C ATOM 763 O LYS A 50 3.412 -17.004 -3.206 1.00 0.00 O ATOM 764 CB LYS A 50 6.436 -18.055 -4.046 1.00 0.00 C ATOM 765 CG LYS A 50 5.657 -18.635 -5.236 1.00 0.00 C ATOM 766 CD LYS A 50 6.353 -19.885 -5.790 1.00 0.00 C ATOM 767 CE LYS A 50 5.582 -20.432 -6.998 1.00 0.00 C ATOM 768 NZ LYS A 50 6.231 -21.648 -7.557 1.00 0.00 N ATOM 0 H LYS A 50 7.647 -16.567 -2.533 1.00 0.00 H new ATOM 0 HA LYS A 50 5.455 -16.148 -4.329 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.460 -17.842 -4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.490 -18.799 -3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.643 -18.887 -4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.572 -17.883 -6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.375 -19.642 -6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.416 -20.648 -5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.560 -20.668 -6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.521 -19.664 -7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.683 -21.990 -8.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.198 -21.416 -7.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.267 -22.389 -6.828 1.00 0.00 H new ATOM 782 N ALA A 51 4.683 -17.312 -1.379 1.00 0.00 N ATOM 783 CA ALA A 51 3.575 -17.488 -0.437 1.00 0.00 C ATOM 784 C ALA A 51 2.709 -16.218 -0.289 1.00 0.00 C ATOM 785 O ALA A 51 1.493 -16.326 -0.139 1.00 0.00 O ATOM 786 CB ALA A 51 4.151 -17.938 0.912 1.00 0.00 C ATOM 0 H ALA A 51 5.601 -17.397 -0.942 1.00 0.00 H new ATOM 0 HA ALA A 51 2.903 -18.252 -0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.340 -18.074 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.684 -18.880 0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.839 -17.180 1.285 1.00 0.00 H new ATOM 792 N ASN A 52 3.298 -15.021 -0.408 1.00 0.00 N ATOM 793 CA ASN A 52 2.553 -13.756 -0.351 1.00 0.00 C ATOM 794 C ASN A 52 1.701 -13.553 -1.614 1.00 0.00 C ATOM 795 O ASN A 52 0.539 -13.158 -1.506 1.00 0.00 O ATOM 796 CB ASN A 52 3.520 -12.580 -0.112 1.00 0.00 C ATOM 797 CG ASN A 52 4.133 -12.533 1.280 1.00 0.00 C ATOM 798 OD1 ASN A 52 3.885 -13.356 2.151 1.00 0.00 O ATOM 799 ND2 ASN A 52 4.958 -11.546 1.540 1.00 0.00 N ATOM 0 H ASN A 52 4.302 -14.902 -0.546 1.00 0.00 H new ATOM 0 HA ASN A 52 1.861 -13.797 0.490 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.324 -12.633 -0.846 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.986 -11.647 -0.291 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.387 -11.469 2.462 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.170 -10.856 0.820 1.00 0.00 H new ATOM 806 N LEU A 53 2.210 -13.910 -2.801 1.00 0.00 N ATOM 807 CA LEU A 53 1.404 -13.949 -4.028 1.00 0.00 C ATOM 808 C LEU A 53 0.246 -14.961 -3.915 1.00 0.00 C ATOM 809 O LEU A 53 -0.878 -14.658 -4.313 1.00 0.00 O ATOM 810 CB LEU A 53 2.324 -14.226 -5.234 1.00 0.00 C ATOM 811 CG LEU A 53 1.579 -14.345 -6.579 1.00 0.00 C ATOM 812 CD1 LEU A 53 0.793 -13.084 -6.939 1.00 0.00 C ATOM 813 CD2 LEU A 53 2.575 -14.612 -7.704 1.00 0.00 C ATOM 0 H LEU A 53 3.185 -14.178 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 53 0.931 -12.979 -4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.060 -13.425 -5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.875 -15.149 -5.053 1.00 0.00 H new ATOM 0 HG LEU A 53 0.874 -15.169 -6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.291 -13.229 -7.895 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.051 -12.885 -6.166 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.476 -12.238 -7.013 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.041 -14.695 -8.651 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.289 -13.790 -7.761 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.108 -15.542 -7.505 1.00 0.00 H new ATOM 825 N ASN A 54 0.479 -16.119 -3.289 1.00 0.00 N ATOM 826 CA ASN A 54 -0.559 -17.125 -3.016 1.00 0.00 C ATOM 827 C ASN A 54 -1.632 -16.667 -1.999 1.00 0.00 C ATOM 828 O ASN A 54 -2.677 -17.313 -1.893 1.00 0.00 O ATOM 829 CB ASN A 54 0.100 -18.463 -2.630 1.00 0.00 C ATOM 830 CG ASN A 54 0.545 -19.252 -3.852 1.00 0.00 C ATOM 831 OD1 ASN A 54 -0.152 -20.131 -4.336 1.00 0.00 O ATOM 832 ND2 ASN A 54 1.699 -18.959 -4.408 1.00 0.00 N ATOM 0 H ASN A 54 1.403 -16.390 -2.953 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.121 -17.267 -3.939 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.960 -18.272 -1.989 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.604 -19.060 -2.050 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.008 -19.464 -5.238 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.286 -18.226 -4.009 1.00 0.00 H new ATOM 839 N VAL A 55 -1.415 -15.560 -1.278 1.00 0.00 N ATOM 840 CA VAL A 55 -2.434 -14.872 -0.457 1.00 0.00 C ATOM 841 C VAL A 55 -3.082 -13.721 -1.239 1.00 0.00 C ATOM 842 O VAL A 55 -4.295 -13.542 -1.172 1.00 0.00 O ATOM 843 CB VAL A 55 -1.840 -14.402 0.887 1.00 0.00 C ATOM 844 CG1 VAL A 55 -2.829 -13.577 1.719 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.427 -15.605 1.745 1.00 0.00 C ATOM 0 H VAL A 55 -0.504 -15.102 -1.245 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.224 -15.586 -0.223 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.982 -13.781 0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.355 -13.275 2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.125 -12.690 1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.711 -14.179 1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.010 -15.253 2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.300 -16.227 1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.677 -16.191 1.213 1.00 0.00 H new ATOM 855 N HIS A 56 -2.317 -12.984 -2.046 1.00 0.00 N ATOM 856 CA HIS A 56 -2.818 -11.894 -2.893 1.00 0.00 C ATOM 857 C HIS A 56 -3.815 -12.359 -3.972 1.00 0.00 C ATOM 858 O HIS A 56 -4.837 -11.709 -4.189 1.00 0.00 O ATOM 859 CB HIS A 56 -1.608 -11.184 -3.514 1.00 0.00 C ATOM 860 CG HIS A 56 -2.006 -10.127 -4.505 1.00 0.00 C ATOM 861 ND1 HIS A 56 -2.514 -8.887 -4.206 1.00 0.00 N ATOM 862 CD2 HIS A 56 -2.049 -10.271 -5.864 1.00 0.00 C ATOM 863 CE1 HIS A 56 -2.866 -8.290 -5.352 1.00 0.00 C ATOM 864 NE2 HIS A 56 -2.614 -9.102 -6.408 1.00 0.00 N ATOM 0 H HIS A 56 -1.311 -13.129 -2.133 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.389 -11.207 -2.268 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.012 -10.729 -2.723 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.973 -11.920 -4.008 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.607 -8.489 -3.272 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.709 -11.131 -6.422 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.291 -7.300 -5.425 1.00 0.00 H new ATOM 872 N LEU A 57 -3.578 -13.509 -4.611 1.00 0.00 N ATOM 873 CA LEU A 57 -4.492 -14.093 -5.610 1.00 0.00 C ATOM 874 C LEU A 57 -5.895 -14.381 -5.051 1.00 0.00 C ATOM 875 O LEU A 57 -6.883 -14.298 -5.780 1.00 0.00 O ATOM 876 CB LEU A 57 -3.876 -15.396 -6.118 1.00 0.00 C ATOM 877 CG LEU A 57 -2.660 -15.200 -7.039 1.00 0.00 C ATOM 878 CD1 LEU A 57 -1.907 -16.520 -7.138 1.00 0.00 C ATOM 879 CD2 LEU A 57 -3.073 -14.765 -8.443 1.00 0.00 C ATOM 0 H LEU A 57 -2.741 -14.069 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.617 -13.365 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.576 -16.001 -5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.638 -15.960 -6.656 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.034 -14.416 -6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.041 -16.397 -7.788 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.575 -16.825 -6.146 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.565 -17.284 -7.551 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.184 -14.638 -9.061 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.716 -15.526 -8.885 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.614 -13.820 -8.387 1.00 0.00 H new ATOM 891 N ARG A 58 -5.999 -14.650 -3.744 1.00 0.00 N ATOM 892 CA ARG A 58 -7.277 -14.851 -3.028 1.00 0.00 C ATOM 893 C ARG A 58 -8.180 -13.605 -3.057 1.00 0.00 C ATOM 894 O ARG A 58 -9.398 -13.740 -2.950 1.00 0.00 O ATOM 895 CB ARG A 58 -7.022 -15.283 -1.572 1.00 0.00 C ATOM 896 CG ARG A 58 -6.051 -16.468 -1.436 1.00 0.00 C ATOM 897 CD ARG A 58 -5.766 -16.795 0.033 1.00 0.00 C ATOM 898 NE ARG A 58 -4.662 -17.768 0.139 1.00 0.00 N ATOM 899 CZ ARG A 58 -4.267 -18.425 1.212 1.00 0.00 C ATOM 900 NH1 ARG A 58 -4.870 -18.309 2.362 1.00 0.00 N ATOM 901 NH2 ARG A 58 -3.235 -19.215 1.145 1.00 0.00 N ATOM 0 H ARG A 58 -5.184 -14.737 -3.137 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.806 -15.645 -3.556 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.625 -14.434 -1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.973 -15.550 -1.110 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.473 -17.344 -1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.116 -16.234 -1.946 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.508 -15.883 0.572 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.662 -17.200 0.502 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.143 -17.955 -0.719 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.678 -17.693 2.454 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.534 -18.834 3.169 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.733 -19.325 0.264 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.928 -19.724 1.974 1.00 0.00 H new ATOM 915 N LYS A 59 -7.610 -12.407 -3.260 1.00 0.00 N ATOM 916 CA LYS A 59 -8.353 -11.142 -3.450 1.00 0.00 C ATOM 917 C LYS A 59 -8.956 -11.005 -4.858 1.00 0.00 C ATOM 918 O LYS A 59 -9.907 -10.246 -5.043 1.00 0.00 O ATOM 919 CB LYS A 59 -7.454 -9.933 -3.127 1.00 0.00 C ATOM 920 CG LYS A 59 -6.826 -10.000 -1.727 1.00 0.00 C ATOM 921 CD LYS A 59 -6.122 -8.688 -1.361 1.00 0.00 C ATOM 922 CE LYS A 59 -5.539 -8.788 0.056 1.00 0.00 C ATOM 923 NZ LYS A 59 -4.919 -7.507 0.489 1.00 0.00 N ATOM 0 H LYS A 59 -6.598 -12.283 -3.298 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.190 -11.164 -2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.660 -9.870 -3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.042 -9.019 -3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.600 -10.216 -0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.110 -10.821 -1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.327 -8.479 -2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.827 -7.859 -1.416 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.328 -9.065 0.755 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.793 -9.582 0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.537 -7.614 1.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.149 -7.256 -0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.637 -6.755 0.484 1.00 0.00 H new ATOM 937 N HIS A 60 -8.444 -11.762 -5.832 1.00 0.00 N ATOM 938 CA HIS A 60 -8.943 -11.820 -7.216 1.00 0.00 C ATOM 939 C HIS A 60 -10.062 -12.865 -7.448 1.00 0.00 C ATOM 940 O HIS A 60 -10.420 -13.143 -8.597 1.00 0.00 O ATOM 941 CB HIS A 60 -7.760 -11.981 -8.189 1.00 0.00 C ATOM 942 CG HIS A 60 -6.845 -10.783 -8.222 1.00 0.00 C ATOM 943 ND1 HIS A 60 -7.196 -9.521 -8.640 1.00 0.00 N ATOM 944 CD2 HIS A 60 -5.518 -10.748 -7.891 1.00 0.00 C ATOM 945 CE1 HIS A 60 -6.118 -8.730 -8.564 1.00 0.00 C ATOM 946 NE2 HIS A 60 -5.048 -9.434 -8.128 1.00 0.00 N ATOM 0 H HIS A 60 -7.643 -12.374 -5.677 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.437 -10.870 -7.419 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.183 -12.862 -7.906 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.146 -12.162 -9.192 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -8.123 -9.235 -8.955 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.934 -11.575 -7.516 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.105 -7.680 -8.815 1.00 0.00 H new ATOM 954 N THR A 61 -10.649 -13.428 -6.385 1.00 0.00 N ATOM 955 CA THR A 61 -11.844 -14.293 -6.446 1.00 0.00 C ATOM 956 C THR A 61 -12.886 -13.921 -5.383 1.00 0.00 C ATOM 957 O THR A 61 -12.546 -13.418 -4.308 1.00 0.00 O ATOM 958 CB THR A 61 -11.474 -15.786 -6.364 1.00 0.00 C ATOM 959 OG1 THR A 61 -12.645 -16.553 -6.541 1.00 0.00 O ATOM 960 CG2 THR A 61 -10.824 -16.203 -5.044 1.00 0.00 C ATOM 0 H THR A 61 -10.302 -13.295 -5.435 1.00 0.00 H new ATOM 0 HA THR A 61 -12.302 -14.119 -7.420 1.00 0.00 H new ATOM 0 HB THR A 61 -10.736 -15.961 -7.147 1.00 0.00 H new ATOM 0 HG1 THR A 61 -12.668 -17.272 -5.876 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.596 -17.269 -5.071 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.903 -15.639 -4.898 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.509 -15.999 -4.221 1.00 0.00 H new ATOM 968 N GLY A 62 -14.163 -14.173 -5.684 1.00 0.00 N ATOM 969 CA GLY A 62 -15.287 -14.067 -4.746 1.00 0.00 C ATOM 970 C GLY A 62 -15.715 -15.401 -4.111 1.00 0.00 C ATOM 971 O GLY A 62 -16.590 -15.401 -3.244 1.00 0.00 O ATOM 0 H GLY A 62 -14.454 -14.466 -6.617 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.017 -13.371 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.141 -13.637 -5.269 1.00 0.00 H new ATOM 975 N GLU A 63 -15.141 -16.536 -4.533 1.00 0.00 N ATOM 976 CA GLU A 63 -15.566 -17.883 -4.112 1.00 0.00 C ATOM 977 C GLU A 63 -14.434 -18.923 -4.080 1.00 0.00 C ATOM 978 O GLU A 63 -13.428 -18.815 -4.789 1.00 0.00 O ATOM 979 CB GLU A 63 -16.737 -18.367 -4.991 1.00 0.00 C ATOM 980 CG GLU A 63 -16.352 -18.644 -6.452 1.00 0.00 C ATOM 981 CD GLU A 63 -17.608 -18.852 -7.320 1.00 0.00 C ATOM 982 OE1 GLU A 63 -18.177 -19.971 -7.323 1.00 0.00 O ATOM 983 OE2 GLU A 63 -18.039 -17.896 -8.012 1.00 0.00 O ATOM 0 H GLU A 63 -14.357 -16.547 -5.186 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.895 -17.788 -3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -17.151 -19.277 -4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -17.527 -17.616 -4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.768 -17.811 -6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.718 -19.529 -6.504 1.00 0.00 H new ATOM 990 N LYS A 64 -14.632 -19.955 -3.252 1.00 0.00 N ATOM 991 CA LYS A 64 -13.758 -21.129 -3.096 1.00 0.00 C ATOM 992 C LYS A 64 -14.576 -22.414 -2.913 1.00 0.00 C ATOM 993 O LYS A 64 -15.734 -22.368 -2.493 1.00 0.00 O ATOM 994 CB LYS A 64 -12.804 -20.948 -1.896 1.00 0.00 C ATOM 995 CG LYS A 64 -11.788 -19.805 -2.071 1.00 0.00 C ATOM 996 CD LYS A 64 -10.773 -19.725 -0.919 1.00 0.00 C ATOM 997 CE LYS A 64 -9.853 -20.953 -0.884 1.00 0.00 C ATOM 998 NZ LYS A 64 -8.884 -20.896 0.238 1.00 0.00 N ATOM 0 H LYS A 64 -15.447 -19.999 -2.640 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.170 -21.218 -4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.395 -20.761 -1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.263 -21.880 -1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.253 -19.942 -3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.323 -18.858 -2.144 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.171 -18.823 -1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.305 -19.642 0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.458 -21.855 -0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.311 -21.025 -1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.616 -21.862 0.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.036 -20.374 -0.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.320 -20.412 1.049 1.00 0.00 H new ATOM 1012 N PHE A 65 -13.945 -23.556 -3.172 1.00 0.00 N ATOM 1013 CA PHE A 65 -14.462 -24.906 -2.918 1.00 0.00 C ATOM 1014 C PHE A 65 -13.630 -25.592 -1.822 1.00 0.00 C ATOM 1015 O PHE A 65 -12.428 -25.341 -1.711 1.00 0.00 O ATOM 1016 CB PHE A 65 -14.473 -25.697 -4.235 1.00 0.00 C ATOM 1017 CG PHE A 65 -15.362 -25.081 -5.299 1.00 0.00 C ATOM 1018 CD1 PHE A 65 -16.730 -25.408 -5.354 1.00 0.00 C ATOM 1019 CD2 PHE A 65 -14.833 -24.139 -6.201 1.00 0.00 C ATOM 1020 CE1 PHE A 65 -17.562 -24.797 -6.309 1.00 0.00 C ATOM 1021 CE2 PHE A 65 -15.661 -23.539 -7.166 1.00 0.00 C ATOM 1022 CZ PHE A 65 -17.026 -23.871 -7.221 1.00 0.00 C ATOM 0 H PHE A 65 -13.013 -23.570 -3.585 1.00 0.00 H new ATOM 0 HA PHE A 65 -15.487 -24.858 -2.551 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -13.455 -25.766 -4.618 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -14.808 -26.715 -4.036 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -17.141 -26.129 -4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -13.787 -23.876 -6.152 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -18.614 -25.039 -6.342 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -15.249 -22.825 -7.864 1.00 0.00 H new ATOM 0 HZ PHE A 65 -17.663 -23.415 -7.964 1.00 0.00 H new ATOM 1032 N ALA A 66 -14.260 -26.430 -0.993 1.00 0.00 N ATOM 1033 CA ALA A 66 -13.656 -26.990 0.222 1.00 0.00 C ATOM 1034 C ALA A 66 -13.954 -28.489 0.416 1.00 0.00 C ATOM 1035 O ALA A 66 -15.057 -28.961 0.122 1.00 0.00 O ATOM 1036 CB ALA A 66 -14.144 -26.173 1.427 1.00 0.00 C ATOM 0 H ALA A 66 -15.218 -26.744 -1.149 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.573 -26.920 0.125 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.705 -26.575 2.340 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.843 -25.132 1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -15.231 -26.231 1.490 1.00 0.00 H new ATOM 1042 N CYS A 67 -12.971 -29.217 0.952 1.00 0.00 N ATOM 1043 CA CYS A 67 -13.052 -30.641 1.263 1.00 0.00 C ATOM 1044 C CYS A 67 -13.970 -30.937 2.466 1.00 0.00 C ATOM 1045 O CYS A 67 -14.096 -30.142 3.404 1.00 0.00 O ATOM 1046 CB CYS A 67 -11.615 -31.139 1.436 1.00 0.00 C ATOM 1047 SG CYS A 67 -11.545 -32.953 1.581 1.00 0.00 S ATOM 0 H CYS A 67 -12.065 -28.813 1.189 1.00 0.00 H new ATOM 0 HA CYS A 67 -13.529 -31.189 0.450 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -11.014 -30.818 0.585 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -11.177 -30.685 2.325 1.00 0.00 H new ATOM 1052 N ASP A 68 -14.616 -32.103 2.424 1.00 0.00 N ATOM 1053 CA ASP A 68 -15.470 -32.640 3.492 1.00 0.00 C ATOM 1054 C ASP A 68 -14.709 -33.605 4.430 1.00 0.00 C ATOM 1055 O ASP A 68 -15.221 -33.982 5.487 1.00 0.00 O ATOM 1056 CB ASP A 68 -16.691 -33.314 2.844 1.00 0.00 C ATOM 1057 CG ASP A 68 -17.789 -33.666 3.866 1.00 0.00 C ATOM 1058 OD1 ASP A 68 -18.320 -32.741 4.528 1.00 0.00 O ATOM 1059 OD2 ASP A 68 -18.165 -34.858 3.974 1.00 0.00 O ATOM 0 H ASP A 68 -14.559 -32.724 1.617 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.799 -31.820 4.130 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -17.106 -32.651 2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -16.371 -34.222 2.334 1.00 0.00 H new ATOM 1064 N TYR A 69 -13.482 -33.991 4.056 1.00 0.00 N ATOM 1065 CA TYR A 69 -12.680 -35.028 4.720 1.00 0.00 C ATOM 1066 C TYR A 69 -11.365 -34.497 5.331 1.00 0.00 C ATOM 1067 O TYR A 69 -10.803 -35.147 6.217 1.00 0.00 O ATOM 1068 CB TYR A 69 -12.394 -36.145 3.707 1.00 0.00 C ATOM 1069 CG TYR A 69 -13.619 -36.774 3.067 1.00 0.00 C ATOM 1070 CD1 TYR A 69 -14.304 -37.812 3.725 1.00 0.00 C ATOM 1071 CD2 TYR A 69 -14.064 -36.322 1.807 1.00 0.00 C ATOM 1072 CE1 TYR A 69 -15.433 -38.403 3.127 1.00 0.00 C ATOM 1073 CE2 TYR A 69 -15.196 -36.909 1.209 1.00 0.00 C ATOM 1074 CZ TYR A 69 -15.882 -37.954 1.863 1.00 0.00 C ATOM 1075 OH TYR A 69 -16.966 -38.526 1.269 1.00 0.00 O ATOM 0 H TYR A 69 -13.004 -33.576 3.256 1.00 0.00 H new ATOM 0 HA TYR A 69 -13.259 -35.406 5.562 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -11.759 -35.742 2.918 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -11.824 -36.928 4.207 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -13.963 -38.156 4.690 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -13.537 -35.526 1.301 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -15.957 -39.200 3.634 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -15.540 -36.558 0.247 1.00 0.00 H new ATOM 0 HH TYR A 69 -17.133 -38.093 0.406 1.00 0.00 H new ATOM 1085 N CYS A 70 -10.884 -33.331 4.882 1.00 0.00 N ATOM 1086 CA CYS A 70 -9.733 -32.604 5.438 1.00 0.00 C ATOM 1087 C CYS A 70 -9.915 -31.068 5.334 1.00 0.00 C ATOM 1088 O CYS A 70 -11.000 -30.572 5.020 1.00 0.00 O ATOM 1089 CB CYS A 70 -8.435 -33.115 4.784 1.00 0.00 C ATOM 1090 SG CYS A 70 -8.306 -32.603 3.052 1.00 0.00 S ATOM 0 H CYS A 70 -11.303 -32.847 4.088 1.00 0.00 H new ATOM 0 HA CYS A 70 -9.662 -32.806 6.507 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -7.576 -32.738 5.339 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -8.402 -34.203 4.845 1.00 0.00 H new ATOM 1095 N SER A 71 -8.854 -30.307 5.620 1.00 0.00 N ATOM 1096 CA SER A 71 -8.822 -28.834 5.597 1.00 0.00 C ATOM 1097 C SER A 71 -8.557 -28.214 4.210 1.00 0.00 C ATOM 1098 O SER A 71 -8.485 -26.986 4.089 1.00 0.00 O ATOM 1099 CB SER A 71 -7.793 -28.338 6.623 1.00 0.00 C ATOM 1100 OG SER A 71 -6.504 -28.870 6.344 1.00 0.00 O ATOM 0 H SER A 71 -7.956 -30.713 5.885 1.00 0.00 H new ATOM 0 HA SER A 71 -9.825 -28.498 5.861 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.753 -27.249 6.607 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.103 -28.631 7.626 1.00 0.00 H new ATOM 0 HG SER A 71 -5.863 -28.540 7.008 1.00 0.00 H new ATOM 1106 N PHE A 72 -8.409 -29.028 3.158 1.00 0.00 N ATOM 1107 CA PHE A 72 -8.069 -28.580 1.799 1.00 0.00 C ATOM 1108 C PHE A 72 -9.128 -27.661 1.157 1.00 0.00 C ATOM 1109 O PHE A 72 -10.336 -27.862 1.322 1.00 0.00 O ATOM 1110 CB PHE A 72 -7.831 -29.819 0.927 1.00 0.00 C ATOM 1111 CG PHE A 72 -7.470 -29.534 -0.516 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -6.141 -29.234 -0.866 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -8.465 -29.578 -1.514 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -5.805 -28.983 -2.209 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -8.126 -29.333 -2.857 1.00 0.00 C ATOM 1116 CZ PHE A 72 -6.797 -29.035 -3.203 1.00 0.00 C ATOM 0 H PHE A 72 -8.524 -30.039 3.228 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.168 -27.970 1.871 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.032 -30.410 1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -8.731 -30.434 0.945 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.378 -29.196 -0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.488 -29.800 -1.247 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.785 -28.750 -2.476 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -8.887 -29.374 -3.622 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.538 -28.846 -4.234 1.00 0.00 H new ATOM 1126 N THR A 73 -8.665 -26.688 0.362 1.00 0.00 N ATOM 1127 CA THR A 73 -9.502 -25.812 -0.481 1.00 0.00 C ATOM 1128 C THR A 73 -8.889 -25.576 -1.869 1.00 0.00 C ATOM 1129 O THR A 73 -7.666 -25.587 -2.035 1.00 0.00 O ATOM 1130 CB THR A 73 -9.790 -24.450 0.174 1.00 0.00 C ATOM 1131 OG1 THR A 73 -8.600 -23.742 0.457 1.00 0.00 O ATOM 1132 CG2 THR A 73 -10.570 -24.538 1.483 1.00 0.00 C ATOM 0 H THR A 73 -7.670 -26.479 0.282 1.00 0.00 H new ATOM 0 HA THR A 73 -10.443 -26.350 -0.593 1.00 0.00 H new ATOM 0 HB THR A 73 -10.398 -23.932 -0.568 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.862 -24.122 -0.064 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.731 -23.535 1.879 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.533 -25.015 1.301 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.004 -25.126 2.205 1.00 0.00 H new ATOM 1140 N CYS A 74 -9.742 -25.355 -2.872 1.00 0.00 N ATOM 1141 CA CYS A 74 -9.370 -25.096 -4.271 1.00 0.00 C ATOM 1142 C CYS A 74 -10.340 -24.116 -4.969 1.00 0.00 C ATOM 1143 O CYS A 74 -11.366 -23.727 -4.407 1.00 0.00 O ATOM 1144 CB CYS A 74 -9.240 -26.443 -5.003 1.00 0.00 C ATOM 1145 SG CYS A 74 -10.757 -27.439 -4.869 1.00 0.00 S ATOM 0 H CYS A 74 -10.752 -25.351 -2.729 1.00 0.00 H new ATOM 0 HA CYS A 74 -8.405 -24.590 -4.300 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -9.015 -26.264 -6.054 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -8.401 -27.002 -4.588 1.00 0.00 H new ATOM 0 HG CYS A 74 -11.458 -27.311 -5.956 1.00 0.00 H new ATOM 1151 N LEU A 75 -10.014 -23.707 -6.202 1.00 0.00 N ATOM 1152 CA LEU A 75 -10.773 -22.711 -6.984 1.00 0.00 C ATOM 1153 C LEU A 75 -11.728 -23.323 -8.034 1.00 0.00 C ATOM 1154 O LEU A 75 -12.321 -22.593 -8.830 1.00 0.00 O ATOM 1155 CB LEU A 75 -9.795 -21.687 -7.599 1.00 0.00 C ATOM 1156 CG LEU A 75 -8.884 -20.949 -6.596 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -8.038 -19.911 -7.337 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -9.673 -20.227 -5.503 1.00 0.00 C ATOM 0 H LEU A 75 -9.198 -24.065 -6.698 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.441 -22.197 -6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.165 -22.203 -8.323 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.373 -20.946 -8.151 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.260 -21.707 -6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.395 -19.391 -6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.422 -20.410 -8.085 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.693 -19.191 -7.828 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.981 -19.725 -4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.334 -19.490 -5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.267 -20.951 -4.944 1.00 0.00 H new ATOM 1170 N SER A 76 -11.898 -24.650 -8.040 1.00 0.00 N ATOM 1171 CA SER A 76 -12.812 -25.381 -8.933 1.00 0.00 C ATOM 1172 C SER A 76 -13.449 -26.591 -8.242 1.00 0.00 C ATOM 1173 O SER A 76 -12.778 -27.328 -7.513 1.00 0.00 O ATOM 1174 CB SER A 76 -12.054 -25.825 -10.192 1.00 0.00 C ATOM 1175 OG SER A 76 -12.830 -26.725 -10.969 1.00 0.00 O ATOM 0 H SER A 76 -11.389 -25.266 -7.406 1.00 0.00 H new ATOM 0 HA SER A 76 -13.622 -24.706 -9.208 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.797 -24.952 -10.791 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.117 -26.303 -9.906 1.00 0.00 H new ATOM 0 HG SER A 76 -12.324 -26.990 -11.765 1.00 0.00 H new ATOM 1181 N LYS A 77 -14.734 -26.845 -8.528 1.00 0.00 N ATOM 1182 CA LYS A 77 -15.462 -28.050 -8.094 1.00 0.00 C ATOM 1183 C LYS A 77 -14.947 -29.322 -8.782 1.00 0.00 C ATOM 1184 O LYS A 77 -14.953 -30.395 -8.181 1.00 0.00 O ATOM 1185 CB LYS A 77 -16.965 -27.837 -8.344 1.00 0.00 C ATOM 1186 CG LYS A 77 -17.828 -28.845 -7.567 1.00 0.00 C ATOM 1187 CD LYS A 77 -19.332 -28.536 -7.642 1.00 0.00 C ATOM 1188 CE LYS A 77 -19.884 -28.644 -9.070 1.00 0.00 C ATOM 1189 NZ LYS A 77 -21.349 -28.397 -9.109 1.00 0.00 N ATOM 0 H LYS A 77 -15.309 -26.207 -9.078 1.00 0.00 H new ATOM 0 HA LYS A 77 -15.289 -28.200 -7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -17.241 -26.824 -8.052 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.172 -27.929 -9.410 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -17.649 -29.846 -7.960 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -17.516 -28.852 -6.523 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -19.874 -29.225 -6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.512 -27.531 -7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.376 -27.925 -9.713 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.671 -29.635 -9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.689 -28.478 -10.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.835 -29.099 -8.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.550 -27.441 -8.751 1.00 0.00 H new ATOM 1203 N GLY A 78 -14.433 -29.203 -10.009 1.00 0.00 N ATOM 1204 CA GLY A 78 -13.742 -30.290 -10.711 1.00 0.00 C ATOM 1205 C GLY A 78 -12.427 -30.665 -10.023 1.00 0.00 C ATOM 1206 O GLY A 78 -12.160 -31.844 -9.791 1.00 0.00 O ATOM 0 H GLY A 78 -14.485 -28.340 -10.550 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.391 -31.164 -10.756 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.541 -29.989 -11.739 1.00 0.00 H new ATOM 1210 N HIS A 79 -11.648 -29.667 -9.589 1.00 0.00 N ATOM 1211 CA HIS A 79 -10.429 -29.893 -8.804 1.00 0.00 C ATOM 1212 C HIS A 79 -10.745 -30.510 -7.427 1.00 0.00 C ATOM 1213 O HIS A 79 -10.023 -31.396 -6.969 1.00 0.00 O ATOM 1214 CB HIS A 79 -9.653 -28.575 -8.682 1.00 0.00 C ATOM 1215 CG HIS A 79 -8.228 -28.756 -8.221 1.00 0.00 C ATOM 1216 ND1 HIS A 79 -7.103 -28.662 -9.010 1.00 0.00 N ATOM 1217 CD2 HIS A 79 -7.803 -29.050 -6.952 1.00 0.00 C ATOM 1218 CE1 HIS A 79 -6.026 -28.891 -8.239 1.00 0.00 C ATOM 1219 NE2 HIS A 79 -6.403 -29.134 -6.971 1.00 0.00 N ATOM 0 H HIS A 79 -11.844 -28.683 -9.772 1.00 0.00 H new ATOM 0 HA HIS A 79 -9.802 -30.618 -9.322 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.653 -28.072 -9.649 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -10.172 -27.920 -7.982 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.435 -29.192 -6.088 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.004 -28.881 -8.588 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -5.792 -29.339 -6.180 1.00 0.00 H new ATOM 1227 N LEU A 80 -11.863 -30.118 -6.801 1.00 0.00 N ATOM 1228 CA LEU A 80 -12.343 -30.719 -5.550 1.00 0.00 C ATOM 1229 C LEU A 80 -12.726 -32.196 -5.739 1.00 0.00 C ATOM 1230 O LEU A 80 -12.357 -33.036 -4.916 1.00 0.00 O ATOM 1231 CB LEU A 80 -13.525 -29.904 -4.994 1.00 0.00 C ATOM 1232 CG LEU A 80 -14.074 -30.453 -3.664 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -13.023 -30.441 -2.553 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -15.274 -29.630 -3.203 1.00 0.00 C ATOM 0 H LEU A 80 -12.463 -29.371 -7.151 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.529 -30.693 -4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -13.208 -28.871 -4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -14.327 -29.891 -5.732 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.368 -31.485 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -13.459 -30.837 -1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.175 -31.058 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.686 -29.419 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.650 -30.031 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.971 -28.593 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -16.059 -29.678 -3.957 1.00 0.00 H new ATOM 1246 N LYS A 81 -13.414 -32.536 -6.838 1.00 0.00 N ATOM 1247 CA LYS A 81 -13.734 -33.928 -7.188 1.00 0.00 C ATOM 1248 C LYS A 81 -12.457 -34.757 -7.339 1.00 0.00 C ATOM 1249 O LYS A 81 -12.344 -35.805 -6.710 1.00 0.00 O ATOM 1250 CB LYS A 81 -14.621 -33.963 -8.444 1.00 0.00 C ATOM 1251 CG LYS A 81 -15.120 -35.388 -8.752 1.00 0.00 C ATOM 1252 CD LYS A 81 -15.997 -35.463 -10.011 1.00 0.00 C ATOM 1253 CE LYS A 81 -17.323 -34.705 -9.849 1.00 0.00 C ATOM 1254 NZ LYS A 81 -18.190 -34.861 -11.047 1.00 0.00 N ATOM 0 H LYS A 81 -13.765 -31.854 -7.510 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.303 -34.385 -6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.475 -33.301 -8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.059 -33.582 -9.297 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.261 -36.048 -8.875 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.688 -35.760 -7.899 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.448 -35.051 -10.858 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -16.205 -36.507 -10.243 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -17.848 -35.073 -8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.120 -33.647 -9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -19.077 -34.337 -10.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.697 -34.487 -11.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -18.403 -35.869 -11.193 1.00 0.00 H new ATOM 1268 N VAL A 82 -11.457 -34.266 -8.079 1.00 0.00 N ATOM 1269 CA VAL A 82 -10.155 -34.947 -8.222 1.00 0.00 C ATOM 1270 C VAL A 82 -9.447 -35.101 -6.868 1.00 0.00 C ATOM 1271 O VAL A 82 -8.951 -36.187 -6.576 1.00 0.00 O ATOM 1272 CB VAL A 82 -9.256 -34.224 -9.247 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -7.862 -34.858 -9.359 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -9.880 -34.271 -10.648 1.00 0.00 C ATOM 0 H VAL A 82 -11.522 -33.389 -8.596 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.350 -35.950 -8.602 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.165 -33.200 -8.886 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.271 -34.311 -10.093 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.365 -34.817 -8.390 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.959 -35.897 -9.673 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.229 -33.755 -11.354 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.001 -35.309 -10.958 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.854 -33.782 -10.629 1.00 0.00 H new ATOM 1284 N HIS A 83 -9.458 -34.081 -6.002 1.00 0.00 N ATOM 1285 CA HIS A 83 -8.910 -34.185 -4.644 1.00 0.00 C ATOM 1286 C HIS A 83 -9.578 -35.317 -3.843 1.00 0.00 C ATOM 1287 O HIS A 83 -8.885 -36.167 -3.286 1.00 0.00 O ATOM 1288 CB HIS A 83 -9.032 -32.834 -3.919 1.00 0.00 C ATOM 1289 CG HIS A 83 -8.656 -32.909 -2.458 1.00 0.00 C ATOM 1290 ND1 HIS A 83 -7.385 -32.863 -1.940 1.00 0.00 N ATOM 1291 CD2 HIS A 83 -9.513 -33.083 -1.404 1.00 0.00 C ATOM 1292 CE1 HIS A 83 -7.463 -33.011 -0.609 1.00 0.00 C ATOM 1293 NE2 HIS A 83 -8.752 -33.164 -0.218 1.00 0.00 N ATOM 0 H HIS A 83 -9.845 -33.163 -6.221 1.00 0.00 H new ATOM 0 HA HIS A 83 -7.853 -34.440 -4.724 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -8.393 -32.103 -4.415 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -10.057 -32.473 -4.006 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -6.527 -32.738 -2.477 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.589 -33.147 -1.469 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -6.615 -33.009 0.060 1.00 0.00 H new ATOM 1301 N ILE A 84 -10.912 -35.388 -3.814 1.00 0.00 N ATOM 1302 CA ILE A 84 -11.634 -36.430 -3.065 1.00 0.00 C ATOM 1303 C ILE A 84 -11.387 -37.822 -3.669 1.00 0.00 C ATOM 1304 O ILE A 84 -11.064 -38.764 -2.943 1.00 0.00 O ATOM 1305 CB ILE A 84 -13.132 -36.058 -2.940 1.00 0.00 C ATOM 1306 CG1 ILE A 84 -13.279 -34.769 -2.090 1.00 0.00 C ATOM 1307 CG2 ILE A 84 -13.932 -37.207 -2.299 1.00 0.00 C ATOM 1308 CD1 ILE A 84 -14.693 -34.175 -2.067 1.00 0.00 C ATOM 0 H ILE A 84 -11.521 -34.732 -4.304 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.242 -36.483 -2.049 1.00 0.00 H new ATOM 0 HB ILE A 84 -13.531 -35.882 -3.939 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -12.975 -34.988 -1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -12.590 -34.017 -2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -14.981 -36.921 -2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -13.844 -38.101 -2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -13.538 -37.413 -1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.700 -33.277 -1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -14.997 -33.919 -3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -15.388 -34.906 -1.654 1.00 0.00 H new ATOM 1320 N GLU A 85 -11.452 -37.952 -4.993 1.00 0.00 N ATOM 1321 CA GLU A 85 -11.300 -39.232 -5.696 1.00 0.00 C ATOM 1322 C GLU A 85 -9.850 -39.755 -5.755 1.00 0.00 C ATOM 1323 O GLU A 85 -9.659 -40.943 -6.024 1.00 0.00 O ATOM 1324 CB GLU A 85 -11.900 -39.114 -7.111 1.00 0.00 C ATOM 1325 CG GLU A 85 -13.422 -38.876 -7.146 1.00 0.00 C ATOM 1326 CD GLU A 85 -14.229 -39.949 -6.395 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -14.243 -41.125 -6.832 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -14.866 -39.613 -5.367 1.00 0.00 O ATOM 0 H GLU A 85 -11.614 -37.163 -5.619 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.845 -39.975 -5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.406 -38.295 -7.634 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.676 -40.026 -7.664 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.639 -37.900 -6.712 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.753 -38.844 -8.184 1.00 0.00 H new ATOM 1335 N ARG A 86 -8.823 -38.922 -5.520 1.00 0.00 N ATOM 1336 CA ARG A 86 -7.399 -39.325 -5.461 1.00 0.00 C ATOM 1337 C ARG A 86 -6.774 -39.344 -4.060 1.00 0.00 C ATOM 1338 O ARG A 86 -5.878 -40.159 -3.829 1.00 0.00 O ATOM 1339 CB ARG A 86 -6.571 -38.451 -6.426 1.00 0.00 C ATOM 1340 CG ARG A 86 -7.017 -38.469 -7.904 1.00 0.00 C ATOM 1341 CD ARG A 86 -6.778 -39.795 -8.639 1.00 0.00 C ATOM 1342 NE ARG A 86 -7.662 -40.874 -8.158 1.00 0.00 N ATOM 1343 CZ ARG A 86 -7.423 -42.170 -8.120 1.00 0.00 C ATOM 1344 NH1 ARG A 86 -6.417 -42.729 -8.728 1.00 0.00 N ATOM 1345 NH2 ARG A 86 -8.217 -42.923 -7.423 1.00 0.00 N ATOM 0 H ARG A 86 -8.958 -37.924 -5.361 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.377 -40.369 -5.774 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -6.602 -37.421 -6.070 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.531 -38.774 -6.377 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.080 -38.232 -7.950 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.491 -37.676 -8.436 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.937 -39.648 -9.707 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.738 -40.096 -8.510 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.575 -40.580 -7.810 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.766 -42.158 -9.268 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.279 -43.738 -8.665 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.003 -42.509 -6.922 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.055 -43.929 -7.376 1.00 0.00 H new ATOM 1359 N VAL A 87 -7.219 -38.493 -3.131 1.00 0.00 N ATOM 1360 CA VAL A 87 -6.644 -38.388 -1.769 1.00 0.00 C ATOM 1361 C VAL A 87 -7.451 -39.183 -0.738 1.00 0.00 C ATOM 1362 O VAL A 87 -6.859 -39.834 0.125 1.00 0.00 O ATOM 1363 CB VAL A 87 -6.473 -36.914 -1.332 1.00 0.00 C ATOM 1364 CG1 VAL A 87 -5.768 -36.788 0.024 1.00 0.00 C ATOM 1365 CG2 VAL A 87 -5.635 -36.125 -2.351 1.00 0.00 C ATOM 0 H VAL A 87 -7.993 -37.849 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.651 -38.836 -1.814 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.483 -36.510 -1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -5.671 -35.735 0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.353 -37.301 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -4.778 -37.239 -0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.532 -35.093 -2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.647 -36.578 -2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.130 -36.144 -3.322 1.00 0.00 H new ATOM 1375 N HIS A 88 -8.787 -39.167 -0.825 1.00 0.00 N ATOM 1376 CA HIS A 88 -9.672 -39.795 0.171 1.00 0.00 C ATOM 1377 C HIS A 88 -10.264 -41.144 -0.280 1.00 0.00 C ATOM 1378 O HIS A 88 -10.614 -41.970 0.568 1.00 0.00 O ATOM 1379 CB HIS A 88 -10.729 -38.776 0.621 1.00 0.00 C ATOM 1380 CG HIS A 88 -10.103 -37.561 1.263 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -9.398 -37.534 2.446 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -10.087 -36.289 0.763 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -8.974 -36.279 2.664 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -9.376 -35.465 1.660 1.00 0.00 N ATOM 0 H HIS A 88 -9.289 -38.717 -1.590 1.00 0.00 H new ATOM 0 HA HIS A 88 -9.068 -40.069 1.036 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -11.324 -38.467 -0.238 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -11.411 -39.249 1.327 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -9.227 -38.334 3.055 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -10.542 -35.969 -0.163 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -8.394 -35.964 3.519 1.00 0.00 H new ATOM 1392 N LYS A 89 -10.329 -41.411 -1.593 1.00 0.00 N ATOM 1393 CA LYS A 89 -10.627 -42.739 -2.160 1.00 0.00 C ATOM 1394 C LYS A 89 -9.358 -43.601 -2.240 1.00 0.00 C ATOM 1395 O LYS A 89 -8.252 -43.086 -2.423 1.00 0.00 O ATOM 1396 CB LYS A 89 -11.302 -42.619 -3.538 1.00 0.00 C ATOM 1397 CG LYS A 89 -12.829 -42.763 -3.489 1.00 0.00 C ATOM 1398 CD LYS A 89 -13.537 -41.564 -2.844 1.00 0.00 C ATOM 1399 CE LYS A 89 -15.054 -41.786 -2.908 1.00 0.00 C ATOM 1400 NZ LYS A 89 -15.792 -40.501 -2.912 1.00 0.00 N ATOM 0 H LYS A 89 -10.173 -40.698 -2.306 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.329 -43.236 -1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.050 -41.652 -3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.895 -43.383 -4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.206 -42.895 -4.503 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.083 -43.666 -2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.217 -41.450 -1.808 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.269 -40.644 -3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.302 -42.352 -3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.371 -42.386 -2.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.814 -40.688 -2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.574 -39.973 -2.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.507 -39.940 -3.740 1.00 0.00 H new ATOM 1414 N LYS A 90 -9.546 -44.921 -2.148 1.00 0.00 N ATOM 1415 CA LYS A 90 -8.489 -45.958 -2.199 1.00 0.00 C ATOM 1416 C LYS A 90 -8.450 -46.786 -3.498 1.00 0.00 C ATOM 1417 O LYS A 90 -7.605 -47.672 -3.637 1.00 0.00 O ATOM 1418 CB LYS A 90 -8.579 -46.839 -0.935 1.00 0.00 C ATOM 1419 CG LYS A 90 -9.865 -47.687 -0.860 1.00 0.00 C ATOM 1420 CD LYS A 90 -9.898 -48.626 0.354 1.00 0.00 C ATOM 1421 CE LYS A 90 -9.947 -47.861 1.686 1.00 0.00 C ATOM 1422 NZ LYS A 90 -10.041 -48.787 2.844 1.00 0.00 N ATOM 0 H LYS A 90 -10.476 -45.322 -2.031 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.533 -45.435 -2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.715 -47.502 -0.903 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.524 -46.201 -0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.729 -47.023 -0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.957 -48.278 -1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.768 -49.279 0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.016 -49.267 0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.054 -47.243 1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.803 -47.187 1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.072 -48.237 3.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.906 -49.359 2.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.211 -49.414 2.856 1.00 0.00 H new ATOM 1436 N ILE A 91 -9.365 -46.520 -4.435 1.00 0.00 N ATOM 1437 CA ILE A 91 -9.548 -47.268 -5.687 1.00 0.00 C ATOM 1438 C ILE A 91 -8.645 -46.773 -6.831 1.00 0.00 C ATOM 1439 O ILE A 91 -8.083 -45.674 -6.788 1.00 0.00 O ATOM 1440 CB ILE A 91 -11.050 -47.342 -6.072 1.00 0.00 C ATOM 1441 CG1 ILE A 91 -11.856 -46.021 -6.014 1.00 0.00 C ATOM 1442 CG2 ILE A 91 -11.750 -48.359 -5.152 1.00 0.00 C ATOM 1443 CD1 ILE A 91 -11.313 -44.886 -6.886 1.00 0.00 C ATOM 0 H ILE A 91 -10.025 -45.748 -4.341 1.00 0.00 H new ATOM 0 HA ILE A 91 -9.213 -48.289 -5.505 1.00 0.00 H new ATOM 0 HB ILE A 91 -11.041 -47.628 -7.124 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.883 -46.228 -6.314 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -11.888 -45.679 -4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -12.806 -48.419 -5.414 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -11.289 -49.339 -5.276 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -11.651 -48.040 -4.115 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -11.947 -44.006 -6.775 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -10.297 -44.643 -6.575 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -11.308 -45.200 -7.930 1.00 0.00 H new ATOM 1455 N LYS A 92 -8.502 -47.613 -7.860 1.00 0.00 N ATOM 1456 CA LYS A 92 -7.677 -47.397 -9.063 1.00 0.00 C ATOM 1457 C LYS A 92 -8.353 -47.978 -10.316 1.00 0.00 C ATOM 1458 O LYS A 92 -8.771 -49.159 -10.282 1.00 0.00 O ATOM 1459 CB LYS A 92 -6.281 -48.000 -8.820 1.00 0.00 C ATOM 1460 CG LYS A 92 -5.284 -47.695 -9.933 1.00 0.00 C ATOM 1461 CD LYS A 92 -3.949 -48.373 -9.599 1.00 0.00 C ATOM 1462 CE LYS A 92 -2.868 -47.677 -10.414 1.00 0.00 C ATOM 1463 NZ LYS A 92 -1.528 -48.285 -10.205 1.00 0.00 N ATOM 1464 OXT LYS A 92 -8.484 -47.237 -11.317 1.00 0.00 O ATOM 0 H LYS A 92 -8.983 -48.512 -7.882 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.569 -46.328 -9.248 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.889 -47.619 -7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.374 -49.081 -8.713 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.663 -48.057 -10.889 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.146 -46.618 -10.032 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.735 -48.296 -8.533 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.987 -49.435 -9.840 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.126 -47.725 -11.472 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.833 -46.622 -10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.824 -47.779 -10.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.269 -48.217 -9.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.552 -49.285 -10.489 1.00 0.00 H new TER 1478 LYS A 92 HETATM 1479 ZN ZN A 101 0.856 2.132 -8.231 1.00 0.00 ZN HETATM 1480 ZN ZN A 102 -3.213 -8.908 -8.212 1.00 0.00 ZN HETATM 1481 ZN ZN A 103 -9.467 -33.573 1.501 1.00 0.00 ZN