USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 508 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 61 HIS HE2 : A 61 HIS NE2 : A 117 ZNZN :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 117 ZNZN :(H bumps) USER MOD Set 1.1: A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 92 SER OG : rot -140:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.335 X(o=-0.33,f=-0.62) USER MOD Single : A 43 HIS : no HD1:sc= -0.893 X(o=-0.89,f=-1.3) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -92:sc= 1.2 USER MOD Single : A 57 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 86:sc= 1.3 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.176 K(o=-0.18,f=-2!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 28 26.101 -8.901 -0.115 1.00 0.00 N ATOM 2 CA ASP A 28 25.732 -10.132 -0.818 1.00 0.00 C ATOM 3 C ASP A 28 25.961 -9.905 -2.311 1.00 0.00 C ATOM 4 O ASP A 28 25.838 -8.766 -2.768 1.00 0.00 O ATOM 5 CB ASP A 28 24.258 -10.476 -0.500 1.00 0.00 C ATOM 6 CG ASP A 28 23.796 -11.792 -1.080 1.00 0.00 C ATOM 7 OD1 ASP A 28 24.189 -12.859 -0.544 1.00 0.00 O ATOM 8 OD2 ASP A 28 23.010 -11.791 -2.045 1.00 0.00 O ATOM 0 HA ASP A 28 26.340 -10.977 -0.496 1.00 0.00 H new ATOM 0 HB2 ASP A 28 24.127 -10.501 0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 28 23.619 -9.679 -0.880 1.00 0.00 H new ATOM 13 N PRO A 29 26.362 -10.943 -3.096 1.00 0.00 N ATOM 14 CA PRO A 29 26.619 -10.783 -4.528 1.00 0.00 C ATOM 15 C PRO A 29 25.441 -10.181 -5.280 1.00 0.00 C ATOM 16 O PRO A 29 24.321 -10.718 -5.260 1.00 0.00 O ATOM 17 CB PRO A 29 26.884 -12.178 -5.039 1.00 0.00 C ATOM 18 CG PRO A 29 27.245 -12.987 -3.838 1.00 0.00 C ATOM 19 CD PRO A 29 26.612 -12.321 -2.648 1.00 0.00 C ATOM 0 HA PRO A 29 27.451 -10.097 -4.685 1.00 0.00 H new ATOM 0 HB2 PRO A 29 26.004 -12.586 -5.536 1.00 0.00 H new ATOM 0 HB3 PRO A 29 27.693 -12.180 -5.770 1.00 0.00 H new ATOM 0 HG2 PRO A 29 26.887 -14.011 -3.942 1.00 0.00 H new ATOM 0 HG3 PRO A 29 28.327 -13.039 -3.720 1.00 0.00 H new ATOM 0 HD2 PRO A 29 25.687 -12.819 -2.358 1.00 0.00 H new ATOM 0 HD3 PRO A 29 27.272 -12.344 -1.781 1.00 0.00 H new ATOM 27 N ASN A 30 25.722 -9.068 -5.944 1.00 0.00 N ATOM 28 CA ASN A 30 24.759 -8.270 -6.709 1.00 0.00 C ATOM 29 C ASN A 30 23.544 -7.838 -5.829 1.00 0.00 C ATOM 30 O ASN A 30 22.482 -7.453 -6.319 1.00 0.00 O ATOM 31 CB ASN A 30 24.348 -9.075 -7.937 1.00 0.00 C ATOM 32 CG ASN A 30 23.370 -8.382 -8.878 1.00 0.00 C ATOM 33 OD1 ASN A 30 23.362 -7.155 -9.011 1.00 0.00 O ATOM 34 ND2 ASN A 30 22.553 -9.153 -9.540 1.00 0.00 N ATOM 0 H ASN A 30 26.663 -8.676 -5.969 1.00 0.00 H new ATOM 0 HA ASN A 30 25.217 -7.337 -7.037 1.00 0.00 H new ATOM 0 HB2 ASN A 30 25.246 -9.332 -8.499 1.00 0.00 H new ATOM 0 HB3 ASN A 30 23.902 -10.012 -7.603 1.00 0.00 H new ATOM 0 HD21 ASN A 30 21.882 -8.745 -10.191 1.00 0.00 H new ATOM 0 HD22 ASN A 30 22.585 -10.164 -9.407 1.00 0.00 H new ATOM 41 N ALA A 31 23.750 -7.845 -4.538 1.00 0.00 N ATOM 42 CA ALA A 31 22.739 -7.503 -3.588 1.00 0.00 C ATOM 43 C ALA A 31 23.372 -6.726 -2.447 1.00 0.00 C ATOM 44 O ALA A 31 23.864 -7.300 -1.465 1.00 0.00 O ATOM 45 CB ALA A 31 22.047 -8.765 -3.098 1.00 0.00 C ATOM 0 H ALA A 31 24.644 -8.094 -4.115 1.00 0.00 H new ATOM 0 HA ALA A 31 21.981 -6.871 -4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 31 21.277 -8.500 -2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 31 21.589 -9.280 -3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 31 22.778 -9.421 -2.626 1.00 0.00 H new ATOM 51 N GLU A 32 23.443 -5.438 -2.630 1.00 0.00 N ATOM 52 CA GLU A 32 24.035 -4.561 -1.680 1.00 0.00 C ATOM 53 C GLU A 32 23.055 -4.123 -0.633 1.00 0.00 C ATOM 54 O GLU A 32 21.962 -3.655 -0.942 1.00 0.00 O ATOM 55 CB GLU A 32 24.667 -3.377 -2.378 1.00 0.00 C ATOM 56 CG GLU A 32 23.737 -2.645 -3.333 1.00 0.00 C ATOM 57 CD GLU A 32 24.428 -1.557 -4.083 1.00 0.00 C ATOM 58 OE1 GLU A 32 25.060 -1.866 -5.130 1.00 0.00 O ATOM 59 OE2 GLU A 32 24.343 -0.382 -3.671 1.00 0.00 O ATOM 0 H GLU A 32 23.083 -4.967 -3.460 1.00 0.00 H new ATOM 0 HA GLU A 32 24.819 -5.112 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 32 25.023 -2.674 -1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 32 25.541 -3.720 -2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 32 23.314 -3.358 -4.041 1.00 0.00 H new ATOM 0 HG3 GLU A 32 22.904 -2.222 -2.771 1.00 0.00 H new ATOM 66 N PHE A 33 23.439 -4.285 0.599 1.00 0.00 N ATOM 67 CA PHE A 33 22.581 -3.923 1.702 1.00 0.00 C ATOM 68 C PHE A 33 23.384 -3.209 2.758 1.00 0.00 C ATOM 69 O PHE A 33 24.608 -3.086 2.642 1.00 0.00 O ATOM 70 CB PHE A 33 21.891 -5.172 2.314 1.00 0.00 C ATOM 71 CG PHE A 33 21.164 -6.013 1.303 1.00 0.00 C ATOM 72 CD1 PHE A 33 20.029 -5.540 0.664 1.00 0.00 C ATOM 73 CD2 PHE A 33 21.645 -7.258 0.960 1.00 0.00 C ATOM 74 CE1 PHE A 33 19.392 -6.294 -0.289 1.00 0.00 C ATOM 75 CE2 PHE A 33 21.019 -8.010 0.005 1.00 0.00 C ATOM 76 CZ PHE A 33 19.889 -7.529 -0.623 1.00 0.00 C ATOM 0 H PHE A 33 24.345 -4.667 0.872 1.00 0.00 H new ATOM 0 HA PHE A 33 21.802 -3.260 1.325 1.00 0.00 H new ATOM 0 HB2 PHE A 33 22.643 -5.785 2.811 1.00 0.00 H new ATOM 0 HB3 PHE A 33 21.186 -4.849 3.080 1.00 0.00 H new ATOM 0 HD1 PHE A 33 19.641 -4.565 0.919 1.00 0.00 H new ATOM 0 HD2 PHE A 33 22.526 -7.644 1.451 1.00 0.00 H new ATOM 0 HE1 PHE A 33 18.504 -5.917 -0.774 1.00 0.00 H new ATOM 0 HE2 PHE A 33 21.410 -8.982 -0.258 1.00 0.00 H new ATOM 0 HZ PHE A 33 19.396 -8.124 -1.377 1.00 0.00 H new ATOM 86 N ASP A 34 22.701 -2.738 3.762 1.00 0.00 N ATOM 87 CA ASP A 34 23.304 -2.076 4.895 1.00 0.00 C ATOM 88 C ASP A 34 22.744 -2.760 6.112 1.00 0.00 C ATOM 89 O ASP A 34 21.532 -2.940 6.195 1.00 0.00 O ATOM 90 CB ASP A 34 22.914 -0.588 4.924 1.00 0.00 C ATOM 91 CG ASP A 34 23.612 0.204 6.022 1.00 0.00 C ATOM 92 OD1 ASP A 34 23.300 0.020 7.222 1.00 0.00 O ATOM 93 OD2 ASP A 34 24.468 1.047 5.695 1.00 0.00 O ATOM 0 H ASP A 34 21.685 -2.803 3.822 1.00 0.00 H new ATOM 0 HA ASP A 34 24.392 -2.132 4.850 1.00 0.00 H new ATOM 0 HB2 ASP A 34 23.150 -0.140 3.959 1.00 0.00 H new ATOM 0 HB3 ASP A 34 21.835 -0.506 5.058 1.00 0.00 H new ATOM 98 N PRO A 35 23.580 -3.170 7.059 1.00 0.00 N ATOM 99 CA PRO A 35 23.125 -3.922 8.233 1.00 0.00 C ATOM 100 C PRO A 35 22.190 -3.149 9.184 1.00 0.00 C ATOM 101 O PRO A 35 21.583 -3.750 10.076 1.00 0.00 O ATOM 102 CB PRO A 35 24.419 -4.341 8.934 1.00 0.00 C ATOM 103 CG PRO A 35 25.446 -3.364 8.460 1.00 0.00 C ATOM 104 CD PRO A 35 25.045 -2.973 7.065 1.00 0.00 C ATOM 0 HA PRO A 35 22.503 -4.761 7.922 1.00 0.00 H new ATOM 0 HB2 PRO A 35 24.311 -4.306 10.018 1.00 0.00 H new ATOM 0 HB3 PRO A 35 24.696 -5.363 8.675 1.00 0.00 H new ATOM 0 HG2 PRO A 35 25.483 -2.492 9.113 1.00 0.00 H new ATOM 0 HG3 PRO A 35 26.440 -3.811 8.468 1.00 0.00 H new ATOM 0 HD2 PRO A 35 25.312 -1.939 6.846 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.537 -3.595 6.317 1.00 0.00 H new ATOM 112 N ASP A 36 22.073 -1.845 9.019 1.00 0.00 N ATOM 113 CA ASP A 36 21.164 -1.087 9.877 1.00 0.00 C ATOM 114 C ASP A 36 19.833 -0.890 9.176 1.00 0.00 C ATOM 115 O ASP A 36 18.776 -0.804 9.813 1.00 0.00 O ATOM 116 CB ASP A 36 21.756 0.265 10.251 1.00 0.00 C ATOM 117 CG ASP A 36 20.906 1.019 11.263 1.00 0.00 C ATOM 118 OD1 ASP A 36 21.021 0.735 12.472 1.00 0.00 O ATOM 119 OD2 ASP A 36 20.122 1.906 10.868 1.00 0.00 O ATOM 0 H ASP A 36 22.577 -1.296 8.322 1.00 0.00 H new ATOM 0 HA ASP A 36 21.012 -1.657 10.794 1.00 0.00 H new ATOM 0 HB2 ASP A 36 22.756 0.119 10.660 1.00 0.00 H new ATOM 0 HB3 ASP A 36 21.865 0.871 9.351 1.00 0.00 H new ATOM 124 N LEU A 37 19.883 -0.865 7.865 1.00 0.00 N ATOM 125 CA LEU A 37 18.703 -0.643 7.056 1.00 0.00 C ATOM 126 C LEU A 37 18.071 -1.951 6.643 1.00 0.00 C ATOM 127 O LEU A 37 18.716 -2.784 6.013 1.00 0.00 O ATOM 128 CB LEU A 37 19.000 0.188 5.796 1.00 0.00 C ATOM 129 CG LEU A 37 19.249 1.709 5.948 1.00 0.00 C ATOM 130 CD1 LEU A 37 18.030 2.400 6.521 1.00 0.00 C ATOM 131 CD2 LEU A 37 20.476 2.013 6.780 1.00 0.00 C ATOM 0 H LEU A 37 20.740 -0.997 7.328 1.00 0.00 H new ATOM 0 HA LEU A 37 18.011 -0.080 7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 37 19.878 -0.244 5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 37 18.164 0.057 5.109 1.00 0.00 H new ATOM 0 HG LEU A 37 19.436 2.100 4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.229 3.467 6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.180 2.249 5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.802 1.982 7.502 1.00 0.00 H new ATOM 0 HD21 LEU A 37 20.606 3.093 6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 37 20.353 1.591 7.778 1.00 0.00 H new ATOM 0 HD23 LEU A 37 21.354 1.574 6.307 1.00 0.00 H new ATOM 143 N PRO A 38 16.811 -2.156 6.993 1.00 0.00 N ATOM 144 CA PRO A 38 16.070 -3.349 6.605 1.00 0.00 C ATOM 145 C PRO A 38 15.943 -3.447 5.089 1.00 0.00 C ATOM 146 O PRO A 38 15.504 -2.493 4.420 1.00 0.00 O ATOM 147 CB PRO A 38 14.696 -3.168 7.258 1.00 0.00 C ATOM 148 CG PRO A 38 14.896 -2.124 8.301 1.00 0.00 C ATOM 149 CD PRO A 38 16.007 -1.251 7.811 1.00 0.00 C ATOM 0 HA PRO A 38 16.566 -4.266 6.922 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.950 -2.857 6.527 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.342 -4.101 7.697 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.985 -1.546 8.452 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.150 -2.576 9.260 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.631 -0.410 7.229 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.585 -0.834 8.636 1.00 0.00 H new ATOM 157 N GLY A 39 16.397 -4.573 4.544 1.00 0.00 N ATOM 158 CA GLY A 39 16.352 -4.786 3.114 1.00 0.00 C ATOM 159 C GLY A 39 17.329 -3.891 2.408 1.00 0.00 C ATOM 160 O GLY A 39 17.174 -3.611 1.216 1.00 0.00 O ATOM 0 H GLY A 39 16.798 -5.346 5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.580 -5.828 2.890 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.344 -4.594 2.745 1.00 0.00 H new ATOM 164 N GLY A 40 18.320 -3.405 3.166 1.00 0.00 N ATOM 165 CA GLY A 40 19.317 -2.486 2.657 1.00 0.00 C ATOM 166 C GLY A 40 18.711 -1.170 2.251 1.00 0.00 C ATOM 167 O GLY A 40 19.331 -0.382 1.549 1.00 0.00 O ATOM 0 H GLY A 40 18.444 -3.645 4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 40 20.077 -2.316 3.420 1.00 0.00 H new ATOM 0 HA3 GLY A 40 19.820 -2.934 1.800 1.00 0.00 H new ATOM 171 N GLY A 41 17.483 -0.939 2.693 1.00 0.00 N ATOM 172 CA GLY A 41 16.782 0.257 2.318 1.00 0.00 C ATOM 173 C GLY A 41 16.258 0.194 0.881 1.00 0.00 C ATOM 174 O GLY A 41 15.709 1.170 0.373 1.00 0.00 O ATOM 0 H GLY A 41 16.963 -1.566 3.307 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.947 0.416 3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.447 1.114 2.423 1.00 0.00 H new ATOM 178 N LEU A 42 16.420 -0.964 0.235 1.00 0.00 N ATOM 179 CA LEU A 42 16.024 -1.147 -1.147 1.00 0.00 C ATOM 180 C LEU A 42 14.580 -1.602 -1.265 1.00 0.00 C ATOM 181 O LEU A 42 14.032 -1.682 -2.355 1.00 0.00 O ATOM 182 CB LEU A 42 16.935 -2.170 -1.813 1.00 0.00 C ATOM 183 CG LEU A 42 18.425 -1.819 -1.901 1.00 0.00 C ATOM 184 CD1 LEU A 42 19.191 -2.938 -2.580 1.00 0.00 C ATOM 185 CD2 LEU A 42 18.632 -0.506 -2.643 1.00 0.00 C ATOM 0 H LEU A 42 16.830 -1.795 0.663 1.00 0.00 H new ATOM 0 HA LEU A 42 16.115 -0.183 -1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.840 -3.112 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 42 16.567 -2.344 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 42 18.807 -1.699 -0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 42 20.247 -2.675 -2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.076 -3.858 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.801 -3.087 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 42 19.697 -0.280 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 42 18.233 -0.592 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 42 18.115 0.295 -2.116 1.00 0.00 H new ATOM 197 N HIS A 43 13.975 -1.919 -0.158 1.00 0.00 N ATOM 198 CA HIS A 43 12.591 -2.333 -0.149 1.00 0.00 C ATOM 199 C HIS A 43 11.872 -1.501 0.864 1.00 0.00 C ATOM 200 O HIS A 43 11.978 -1.748 2.069 1.00 0.00 O ATOM 201 CB HIS A 43 12.416 -3.820 0.210 1.00 0.00 C ATOM 202 CG HIS A 43 13.167 -4.806 -0.645 1.00 0.00 C ATOM 203 ND1 HIS A 43 12.655 -5.314 -1.811 1.00 0.00 N ATOM 204 CD2 HIS A 43 14.377 -5.408 -0.477 1.00 0.00 C ATOM 205 CE1 HIS A 43 13.497 -6.184 -2.326 1.00 0.00 C ATOM 206 NE2 HIS A 43 14.551 -6.258 -1.540 1.00 0.00 N ATOM 0 H HIS A 43 14.417 -1.900 0.761 1.00 0.00 H new ATOM 0 HA HIS A 43 12.188 -2.197 -1.152 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.725 -3.960 1.246 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.354 -4.062 0.159 1.00 0.00 H new ATOM 0 HD2 HIS A 43 15.068 -5.247 0.337 1.00 0.00 H new ATOM 0 HE1 HIS A 43 13.349 -6.743 -3.238 1.00 0.00 H new ATOM 0 HE2 HIS A 43 15.366 -6.852 -1.696 1.00 0.00 H new ATOM 215 N ARG A 44 11.193 -0.498 0.408 1.00 0.00 N ATOM 216 CA ARG A 44 10.495 0.375 1.287 1.00 0.00 C ATOM 217 C ARG A 44 9.198 0.858 0.725 1.00 0.00 C ATOM 218 O ARG A 44 9.004 0.945 -0.485 1.00 0.00 O ATOM 219 CB ARG A 44 11.344 1.575 1.647 1.00 0.00 C ATOM 220 CG ARG A 44 11.877 2.361 0.460 1.00 0.00 C ATOM 221 CD ARG A 44 12.642 3.570 0.931 1.00 0.00 C ATOM 222 NE ARG A 44 13.239 4.334 -0.157 1.00 0.00 N ATOM 223 CZ ARG A 44 13.835 5.523 0.005 1.00 0.00 C ATOM 224 NH1 ARG A 44 13.874 6.096 1.214 1.00 0.00 N ATOM 225 NH2 ARG A 44 14.382 6.144 -1.031 1.00 0.00 N ATOM 0 H ARG A 44 11.109 -0.264 -0.581 1.00 0.00 H new ATOM 0 HA ARG A 44 10.279 -0.216 2.177 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.754 2.245 2.272 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.188 1.237 2.249 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.525 1.725 -0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 44 11.050 2.672 -0.179 1.00 0.00 H new ATOM 0 HD2 ARG A 44 11.972 4.218 1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.428 3.250 1.615 1.00 0.00 H new ATOM 0 HE ARG A 44 13.201 3.940 -1.097 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.449 5.627 2.014 1.00 0.00 H new ATOM 0 HH12 ARG A 44 14.328 7.001 1.335 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.350 5.717 -1.957 1.00 0.00 H new ATOM 0 HH22 ARG A 44 14.835 7.049 -0.902 1.00 0.00 H new ATOM 239 N CYS A 45 8.310 1.141 1.617 1.00 0.00 N ATOM 240 CA CYS A 45 7.075 1.774 1.286 1.00 0.00 C ATOM 241 C CYS A 45 7.252 3.251 1.533 1.00 0.00 C ATOM 242 O CYS A 45 7.482 3.665 2.675 1.00 0.00 O ATOM 243 CB CYS A 45 5.898 1.193 2.099 1.00 0.00 C ATOM 244 SG CYS A 45 4.326 2.143 1.954 1.00 0.00 S ATOM 0 H CYS A 45 8.421 0.937 2.610 1.00 0.00 H new ATOM 0 HA CYS A 45 6.825 1.593 0.241 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.720 0.168 1.774 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.185 1.149 3.149 1.00 0.00 H new ATOM 249 N LEU A 46 7.143 4.027 0.487 1.00 0.00 N ATOM 250 CA LEU A 46 7.381 5.447 0.516 1.00 0.00 C ATOM 251 C LEU A 46 6.416 6.142 1.456 1.00 0.00 C ATOM 252 O LEU A 46 6.806 7.016 2.230 1.00 0.00 O ATOM 253 CB LEU A 46 7.223 5.987 -0.896 1.00 0.00 C ATOM 254 CG LEU A 46 7.512 7.445 -1.100 1.00 0.00 C ATOM 255 CD1 LEU A 46 8.963 7.766 -0.765 1.00 0.00 C ATOM 256 CD2 LEU A 46 7.163 7.873 -2.513 1.00 0.00 C ATOM 0 H LEU A 46 6.879 3.679 -0.435 1.00 0.00 H new ATOM 0 HA LEU A 46 8.390 5.639 0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.879 5.416 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.200 5.795 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 46 6.882 8.014 -0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.146 8.829 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.160 7.513 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.622 7.186 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.381 8.934 -2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.754 7.296 -3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.103 7.697 -2.695 1.00 0.00 H new ATOM 268 N ALA A 47 5.175 5.731 1.399 1.00 0.00 N ATOM 269 CA ALA A 47 4.126 6.314 2.233 1.00 0.00 C ATOM 270 C ALA A 47 4.342 6.031 3.712 1.00 0.00 C ATOM 271 O ALA A 47 3.908 6.794 4.564 1.00 0.00 O ATOM 272 CB ALA A 47 2.779 5.805 1.817 1.00 0.00 C ATOM 0 H ALA A 47 4.852 4.987 0.780 1.00 0.00 H new ATOM 0 HA ALA A 47 4.171 7.393 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.011 6.250 2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.594 6.074 0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.752 4.720 1.922 1.00 0.00 H new ATOM 278 N CYS A 48 4.993 4.934 4.020 1.00 0.00 N ATOM 279 CA CYS A 48 5.245 4.612 5.406 1.00 0.00 C ATOM 280 C CYS A 48 6.620 5.039 5.846 1.00 0.00 C ATOM 281 O CYS A 48 6.911 5.082 7.043 1.00 0.00 O ATOM 282 CB CYS A 48 4.944 3.132 5.726 1.00 0.00 C ATOM 283 SG CYS A 48 3.253 2.763 5.558 1.00 0.00 S ATOM 0 H CYS A 48 5.352 4.260 3.344 1.00 0.00 H new ATOM 0 HA CYS A 48 4.542 5.196 6.000 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.523 2.492 5.061 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.265 2.908 6.743 1.00 0.00 H new ATOM 288 N ALA A 49 7.469 5.359 4.860 1.00 0.00 N ATOM 289 CA ALA A 49 8.853 5.802 5.069 1.00 0.00 C ATOM 290 C ALA A 49 9.672 4.745 5.814 1.00 0.00 C ATOM 291 O ALA A 49 10.781 5.012 6.280 1.00 0.00 O ATOM 292 CB ALA A 49 8.895 7.147 5.799 1.00 0.00 C ATOM 0 H ALA A 49 7.207 5.316 3.875 1.00 0.00 H new ATOM 0 HA ALA A 49 9.307 5.938 4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.932 7.452 5.941 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.374 7.899 5.207 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.409 7.049 6.770 1.00 0.00 H new ATOM 298 N ARG A 50 9.156 3.544 5.858 1.00 0.00 N ATOM 299 CA ARG A 50 9.782 2.467 6.569 1.00 0.00 C ATOM 300 C ARG A 50 10.415 1.551 5.581 1.00 0.00 C ATOM 301 O ARG A 50 9.911 1.388 4.459 1.00 0.00 O ATOM 302 CB ARG A 50 8.755 1.666 7.391 1.00 0.00 C ATOM 303 CG ARG A 50 8.033 2.436 8.490 1.00 0.00 C ATOM 304 CD ARG A 50 8.981 2.921 9.579 1.00 0.00 C ATOM 305 NE ARG A 50 8.266 3.658 10.631 1.00 0.00 N ATOM 306 CZ ARG A 50 8.842 4.326 11.643 1.00 0.00 C ATOM 307 NH1 ARG A 50 10.162 4.322 11.790 1.00 0.00 N ATOM 308 NH2 ARG A 50 8.082 4.980 12.515 1.00 0.00 N ATOM 0 H ARG A 50 8.283 3.287 5.397 1.00 0.00 H new ATOM 0 HA ARG A 50 10.521 2.886 7.251 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.008 1.261 6.708 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.265 0.817 7.845 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.519 3.292 8.052 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.269 1.798 8.935 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.498 2.068 10.019 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.744 3.563 9.139 1.00 0.00 H new ATOM 0 HE ARG A 50 7.247 3.662 10.588 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.747 3.808 11.131 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.591 4.832 12.562 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.067 4.973 12.413 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.514 5.489 13.286 1.00 0.00 H new ATOM 322 N TYR A 51 11.485 0.956 5.982 1.00 0.00 N ATOM 323 CA TYR A 51 12.207 0.064 5.185 1.00 0.00 C ATOM 324 C TYR A 51 11.884 -1.317 5.697 1.00 0.00 C ATOM 325 O TYR A 51 11.740 -1.509 6.907 1.00 0.00 O ATOM 326 CB TYR A 51 13.688 0.333 5.386 1.00 0.00 C ATOM 327 CG TYR A 51 14.137 1.764 5.117 1.00 0.00 C ATOM 328 CD1 TYR A 51 14.430 2.201 3.836 1.00 0.00 C ATOM 329 CD2 TYR A 51 14.272 2.672 6.159 1.00 0.00 C ATOM 330 CE1 TYR A 51 14.846 3.502 3.602 1.00 0.00 C ATOM 331 CE2 TYR A 51 14.683 3.970 5.932 1.00 0.00 C ATOM 332 CZ TYR A 51 14.968 4.378 4.654 1.00 0.00 C ATOM 333 OH TYR A 51 15.373 5.679 4.421 1.00 0.00 O ATOM 0 H TYR A 51 11.884 1.092 6.911 1.00 0.00 H new ATOM 0 HA TYR A 51 11.959 0.166 4.128 1.00 0.00 H new ATOM 0 HB2 TYR A 51 13.950 0.075 6.412 1.00 0.00 H new ATOM 0 HB3 TYR A 51 14.252 -0.335 4.735 1.00 0.00 H new ATOM 0 HD1 TYR A 51 14.333 1.517 3.006 1.00 0.00 H new ATOM 0 HD2 TYR A 51 14.051 2.356 7.168 1.00 0.00 H new ATOM 0 HE1 TYR A 51 15.073 3.826 2.597 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.780 4.661 6.757 1.00 0.00 H new ATOM 0 HH TYR A 51 15.407 6.168 5.270 1.00 0.00 H new ATOM 343 N PHE A 52 11.740 -2.254 4.823 1.00 0.00 N ATOM 344 CA PHE A 52 11.379 -3.585 5.226 1.00 0.00 C ATOM 345 C PHE A 52 12.436 -4.541 4.762 1.00 0.00 C ATOM 346 O PHE A 52 13.107 -4.293 3.763 1.00 0.00 O ATOM 347 CB PHE A 52 10.045 -4.012 4.630 1.00 0.00 C ATOM 348 CG PHE A 52 8.842 -3.147 4.957 1.00 0.00 C ATOM 349 CD1 PHE A 52 8.757 -1.844 4.492 1.00 0.00 C ATOM 350 CD2 PHE A 52 7.793 -3.649 5.704 1.00 0.00 C ATOM 351 CE1 PHE A 52 7.662 -1.062 4.763 1.00 0.00 C ATOM 352 CE2 PHE A 52 6.686 -2.866 5.971 1.00 0.00 C ATOM 353 CZ PHE A 52 6.625 -1.569 5.497 1.00 0.00 C ATOM 0 H PHE A 52 11.866 -2.130 3.818 1.00 0.00 H new ATOM 0 HA PHE A 52 11.290 -3.594 6.312 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.153 -4.048 3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.834 -5.028 4.963 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.567 -1.437 3.906 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.839 -4.660 6.082 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.619 -0.047 4.397 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.868 -3.268 6.550 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.760 -0.957 5.706 1.00 0.00 H new ATOM 363 N ILE A 53 12.570 -5.634 5.468 1.00 0.00 N ATOM 364 CA ILE A 53 13.564 -6.625 5.187 1.00 0.00 C ATOM 365 C ILE A 53 13.445 -7.258 3.787 1.00 0.00 C ATOM 366 O ILE A 53 14.457 -7.579 3.175 1.00 0.00 O ATOM 367 CB ILE A 53 13.572 -7.724 6.269 1.00 0.00 C ATOM 368 CG1 ILE A 53 12.174 -8.366 6.423 1.00 0.00 C ATOM 369 CG2 ILE A 53 14.072 -7.159 7.595 1.00 0.00 C ATOM 370 CD1 ILE A 53 12.109 -9.490 7.436 1.00 0.00 C ATOM 0 H ILE A 53 11.978 -5.860 6.268 1.00 0.00 H new ATOM 0 HA ILE A 53 14.514 -6.091 5.200 1.00 0.00 H new ATOM 0 HB ILE A 53 14.257 -8.511 5.954 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.462 -7.592 6.711 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.854 -8.748 5.454 1.00 0.00 H new ATOM 0 HG21 ILE A 53 14.072 -7.946 8.349 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.085 -6.777 7.469 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.416 -6.349 7.916 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.093 -9.882 7.480 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.793 -10.286 7.141 1.00 0.00 H new ATOM 0 HD13 ILE A 53 12.394 -9.112 8.418 1.00 0.00 H new ATOM 382 N ASP A 54 12.232 -7.415 3.266 1.00 0.00 N ATOM 383 CA ASP A 54 12.089 -8.090 1.975 1.00 0.00 C ATOM 384 C ASP A 54 10.855 -7.579 1.227 1.00 0.00 C ATOM 385 O ASP A 54 9.948 -7.017 1.842 1.00 0.00 O ATOM 386 CB ASP A 54 11.993 -9.612 2.199 1.00 0.00 C ATOM 387 CG ASP A 54 12.027 -10.416 0.921 1.00 0.00 C ATOM 388 OD1 ASP A 54 10.957 -10.631 0.311 1.00 0.00 O ATOM 389 OD2 ASP A 54 13.118 -10.835 0.509 1.00 0.00 O ATOM 0 H ASP A 54 11.363 -7.099 3.696 1.00 0.00 H new ATOM 0 HA ASP A 54 12.964 -7.871 1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.816 -9.929 2.839 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.069 -9.834 2.733 1.00 0.00 H new ATOM 394 N SER A 55 10.822 -7.789 -0.090 1.00 0.00 N ATOM 395 CA SER A 55 9.725 -7.351 -0.955 1.00 0.00 C ATOM 396 C SER A 55 8.422 -8.072 -0.618 1.00 0.00 C ATOM 397 O SER A 55 7.347 -7.516 -0.834 1.00 0.00 O ATOM 398 CB SER A 55 10.113 -7.563 -2.438 1.00 0.00 C ATOM 399 OG SER A 55 9.071 -7.185 -3.335 1.00 0.00 O ATOM 0 H SER A 55 11.566 -8.274 -0.592 1.00 0.00 H new ATOM 0 HA SER A 55 9.553 -6.288 -0.783 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.009 -6.984 -2.662 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.363 -8.612 -2.598 1.00 0.00 H new ATOM 0 HG SER A 55 9.363 -7.335 -4.258 1.00 0.00 H new ATOM 405 N THR A 56 8.516 -9.286 -0.082 1.00 0.00 N ATOM 406 CA THR A 56 7.375 -10.016 0.325 1.00 0.00 C ATOM 407 C THR A 56 6.622 -9.249 1.393 1.00 0.00 C ATOM 408 O THR A 56 5.401 -9.122 1.354 1.00 0.00 O ATOM 409 CB THR A 56 7.819 -11.355 0.872 1.00 0.00 C ATOM 410 OG1 THR A 56 8.923 -11.169 1.779 1.00 0.00 O ATOM 411 CG2 THR A 56 8.164 -12.346 -0.229 1.00 0.00 C ATOM 0 H THR A 56 9.400 -9.771 0.072 1.00 0.00 H new ATOM 0 HA THR A 56 6.714 -10.167 -0.528 1.00 0.00 H new ATOM 0 HB THR A 56 6.981 -11.789 1.418 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.767 -11.247 1.287 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.477 -13.290 0.216 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.288 -12.513 -0.856 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.975 -11.946 -0.838 1.00 0.00 H new ATOM 419 N ASN A 57 7.378 -8.730 2.323 1.00 0.00 N ATOM 420 CA ASN A 57 6.893 -7.916 3.379 1.00 0.00 C ATOM 421 C ASN A 57 6.224 -6.672 2.859 1.00 0.00 C ATOM 422 O ASN A 57 5.163 -6.311 3.323 1.00 0.00 O ATOM 423 CB ASN A 57 8.021 -7.604 4.350 1.00 0.00 C ATOM 424 CG ASN A 57 8.333 -8.751 5.289 1.00 0.00 C ATOM 425 OD1 ASN A 57 9.224 -9.637 4.892 1.00 0.00 O flip ATOM 426 ND2 ASN A 57 7.768 -8.838 6.373 1.00 0.00 N flip ATOM 0 H ASN A 57 8.387 -8.875 2.357 1.00 0.00 H new ATOM 0 HA ASN A 57 6.125 -8.467 3.922 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.918 -7.351 3.785 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.754 -6.725 4.936 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.083 -8.134 6.649 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.983 -9.614 6.999 1.00 0.00 H new ATOM 433 N LEU A 58 6.829 -6.037 1.875 1.00 0.00 N ATOM 434 CA LEU A 58 6.223 -4.868 1.240 1.00 0.00 C ATOM 435 C LEU A 58 4.934 -5.184 0.587 1.00 0.00 C ATOM 436 O LEU A 58 3.917 -4.563 0.872 1.00 0.00 O ATOM 437 CB LEU A 58 7.138 -4.262 0.195 1.00 0.00 C ATOM 438 CG LEU A 58 8.124 -3.251 0.664 1.00 0.00 C ATOM 439 CD1 LEU A 58 7.441 -2.143 1.435 1.00 0.00 C ATOM 440 CD2 LEU A 58 9.221 -3.886 1.429 1.00 0.00 C ATOM 0 H LEU A 58 7.737 -6.304 1.494 1.00 0.00 H new ATOM 0 HA LEU A 58 6.053 -4.157 2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.686 -5.072 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.517 -3.799 -0.572 1.00 0.00 H new ATOM 0 HG LEU A 58 8.583 -2.789 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.185 -1.418 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.713 -1.648 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.933 -2.563 2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.925 -3.122 1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.809 -4.398 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.738 -4.606 0.795 1.00 0.00 H new ATOM 452 N LYS A 59 4.973 -6.143 -0.262 1.00 0.00 N ATOM 453 CA LYS A 59 3.797 -6.541 -1.022 1.00 0.00 C ATOM 454 C LYS A 59 2.653 -7.006 -0.107 1.00 0.00 C ATOM 455 O LYS A 59 1.478 -6.731 -0.377 1.00 0.00 O ATOM 456 CB LYS A 59 4.152 -7.577 -2.093 1.00 0.00 C ATOM 457 CG LYS A 59 2.993 -7.949 -3.002 1.00 0.00 C ATOM 458 CD LYS A 59 3.443 -8.853 -4.129 1.00 0.00 C ATOM 459 CE LYS A 59 2.289 -9.213 -5.039 1.00 0.00 C ATOM 460 NZ LYS A 59 2.726 -10.040 -6.182 1.00 0.00 N ATOM 0 H LYS A 59 5.810 -6.688 -0.466 1.00 0.00 H new ATOM 0 HA LYS A 59 3.428 -5.659 -1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.968 -7.189 -2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.520 -8.479 -1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.218 -8.448 -2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.548 -7.044 -3.415 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.223 -8.357 -4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.881 -9.762 -3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.532 -9.752 -4.469 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.820 -8.301 -5.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.906 -10.265 -6.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.430 -9.516 -6.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.150 -10.922 -5.830 1.00 0.00 H new ATOM 474 N THR A 60 3.004 -7.676 0.982 1.00 0.00 N ATOM 475 CA THR A 60 2.031 -8.091 1.973 1.00 0.00 C ATOM 476 C THR A 60 1.531 -6.861 2.757 1.00 0.00 C ATOM 477 O THR A 60 0.361 -6.769 3.144 1.00 0.00 O ATOM 478 CB THR A 60 2.646 -9.129 2.920 1.00 0.00 C ATOM 479 OG1 THR A 60 3.152 -10.234 2.141 1.00 0.00 O ATOM 480 CG2 THR A 60 1.633 -9.643 3.925 1.00 0.00 C ATOM 0 H THR A 60 3.964 -7.944 1.199 1.00 0.00 H new ATOM 0 HA THR A 60 1.181 -8.554 1.471 1.00 0.00 H new ATOM 0 HB THR A 60 3.452 -8.649 3.475 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.065 -10.035 1.846 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.107 -10.376 4.577 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.260 -8.812 4.524 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.802 -10.111 3.397 1.00 0.00 H new ATOM 488 N HIS A 61 2.430 -5.917 2.948 1.00 0.00 N ATOM 489 CA HIS A 61 2.139 -4.655 3.595 1.00 0.00 C ATOM 490 C HIS A 61 1.137 -3.809 2.791 1.00 0.00 C ATOM 491 O HIS A 61 0.274 -3.136 3.377 1.00 0.00 O ATOM 492 CB HIS A 61 3.462 -3.867 3.878 1.00 0.00 C ATOM 493 CG HIS A 61 3.260 -2.427 4.195 1.00 0.00 C ATOM 494 ND1 HIS A 61 2.723 -1.980 5.371 1.00 0.00 N ATOM 495 CD2 HIS A 61 3.429 -1.328 3.421 1.00 0.00 C ATOM 496 CE1 HIS A 61 2.560 -0.687 5.287 1.00 0.00 C ATOM 497 NE2 HIS A 61 2.977 -0.282 4.143 1.00 0.00 N ATOM 0 H HIS A 61 3.402 -6.008 2.652 1.00 0.00 H new ATOM 0 HA HIS A 61 1.661 -4.875 4.550 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.983 -4.341 4.710 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.113 -3.948 3.007 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.489 -2.559 6.178 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.843 -1.296 2.424 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.141 -0.058 6.058 1.00 0.00 H new ATOM 505 N PHE A 62 1.231 -3.831 1.468 1.00 0.00 N ATOM 506 CA PHE A 62 0.332 -3.008 0.668 1.00 0.00 C ATOM 507 C PHE A 62 -1.007 -3.697 0.447 1.00 0.00 C ATOM 508 O PHE A 62 -1.844 -3.189 -0.273 1.00 0.00 O ATOM 509 CB PHE A 62 0.906 -2.613 -0.697 1.00 0.00 C ATOM 510 CG PHE A 62 2.273 -2.006 -0.697 1.00 0.00 C ATOM 511 CD1 PHE A 62 2.511 -0.802 -0.083 1.00 0.00 C ATOM 512 CD2 PHE A 62 3.316 -2.645 -1.341 1.00 0.00 C ATOM 513 CE1 PHE A 62 3.767 -0.245 -0.100 1.00 0.00 C ATOM 514 CE2 PHE A 62 4.578 -2.099 -1.364 1.00 0.00 C ATOM 515 CZ PHE A 62 4.812 -0.899 -0.744 1.00 0.00 C ATOM 0 H PHE A 62 1.899 -4.391 0.938 1.00 0.00 H new ATOM 0 HA PHE A 62 0.198 -2.097 1.252 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.928 -3.502 -1.328 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.219 -1.907 -1.164 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.704 -0.288 0.418 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.137 -3.589 -1.834 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.943 0.702 0.388 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.382 -2.614 -1.869 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.801 -0.465 -0.756 1.00 0.00 H new ATOM 525 N ARG A 63 -1.229 -4.840 1.090 1.00 0.00 N ATOM 526 CA ARG A 63 -2.504 -5.540 0.944 1.00 0.00 C ATOM 527 C ARG A 63 -3.627 -4.794 1.660 1.00 0.00 C ATOM 528 O ARG A 63 -4.797 -5.156 1.560 1.00 0.00 O ATOM 529 CB ARG A 63 -2.421 -6.999 1.393 1.00 0.00 C ATOM 530 CG ARG A 63 -1.459 -7.839 0.563 1.00 0.00 C ATOM 531 CD ARG A 63 -1.477 -9.298 0.986 1.00 0.00 C ATOM 532 NE ARG A 63 -0.570 -10.125 0.169 1.00 0.00 N ATOM 533 CZ ARG A 63 -0.847 -11.365 -0.275 1.00 0.00 C ATOM 534 NH1 ARG A 63 -2.026 -11.930 -0.014 1.00 0.00 N ATOM 535 NH2 ARG A 63 0.059 -12.032 -0.990 1.00 0.00 N ATOM 0 H ARG A 63 -0.557 -5.296 1.707 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.739 -5.556 -0.120 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.111 -7.032 2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.415 -7.443 1.342 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.726 -7.763 -0.491 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.449 -7.443 0.666 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.190 -9.374 2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.492 -9.686 0.904 1.00 0.00 H new ATOM 0 HE ARG A 63 0.336 -9.727 -0.078 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.727 -11.422 0.526 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.228 -12.870 -0.354 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.960 -11.603 -1.200 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.149 -12.972 -1.327 1.00 0.00 H new ATOM 549 N SER A 64 -3.258 -3.756 2.372 1.00 0.00 N ATOM 550 CA SER A 64 -4.194 -2.884 3.006 1.00 0.00 C ATOM 551 C SER A 64 -4.822 -1.977 1.942 1.00 0.00 C ATOM 552 O SER A 64 -4.160 -1.067 1.405 1.00 0.00 O ATOM 553 CB SER A 64 -3.482 -2.040 4.079 1.00 0.00 C ATOM 554 OG SER A 64 -4.380 -1.165 4.760 1.00 0.00 O ATOM 0 H SER A 64 -2.283 -3.497 2.524 1.00 0.00 H new ATOM 0 HA SER A 64 -4.975 -3.468 3.493 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.004 -2.702 4.801 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.691 -1.454 3.612 1.00 0.00 H new ATOM 0 HG SER A 64 -3.888 -0.650 5.433 1.00 0.00 H new ATOM 560 N LYS A 65 -6.070 -2.255 1.615 1.00 0.00 N ATOM 561 CA LYS A 65 -6.830 -1.469 0.663 1.00 0.00 C ATOM 562 C LYS A 65 -6.963 -0.040 1.158 1.00 0.00 C ATOM 563 O LYS A 65 -6.864 0.912 0.388 1.00 0.00 O ATOM 564 CB LYS A 65 -8.186 -2.090 0.483 1.00 0.00 C ATOM 565 CG LYS A 65 -9.127 -1.362 -0.464 1.00 0.00 C ATOM 566 CD LYS A 65 -10.459 -2.081 -0.524 1.00 0.00 C ATOM 567 CE LYS A 65 -11.455 -1.373 -1.417 1.00 0.00 C ATOM 568 NZ LYS A 65 -12.743 -2.094 -1.449 1.00 0.00 N ATOM 0 H LYS A 65 -6.589 -3.041 2.007 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.312 -1.453 -0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.053 -3.109 0.120 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.666 -2.159 1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.273 -0.336 -0.127 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.687 -1.311 -1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.305 -3.096 -0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.871 -2.163 0.482 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.612 -0.356 -1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.052 -1.295 -2.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.409 -1.588 -2.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.593 -3.056 -1.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.136 -2.146 -0.487 1.00 0.00 H new ATOM 582 N ASP A 66 -7.140 0.089 2.467 1.00 0.00 N ATOM 583 CA ASP A 66 -7.249 1.385 3.140 1.00 0.00 C ATOM 584 C ASP A 66 -5.979 2.197 2.911 1.00 0.00 C ATOM 585 O ASP A 66 -6.014 3.412 2.708 1.00 0.00 O ATOM 586 CB ASP A 66 -7.446 1.151 4.638 1.00 0.00 C ATOM 587 CG ASP A 66 -7.603 2.427 5.442 1.00 0.00 C ATOM 588 OD1 ASP A 66 -6.590 2.985 5.902 1.00 0.00 O ATOM 589 OD2 ASP A 66 -8.750 2.880 5.642 1.00 0.00 O ATOM 0 H ASP A 66 -7.213 -0.707 3.100 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.098 1.936 2.736 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.329 0.529 4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.594 0.592 5.024 1.00 0.00 H new ATOM 594 N HIS A 67 -4.859 1.497 2.913 1.00 0.00 N ATOM 595 CA HIS A 67 -3.551 2.117 2.722 1.00 0.00 C ATOM 596 C HIS A 67 -3.379 2.576 1.333 1.00 0.00 C ATOM 597 O HIS A 67 -2.876 3.655 1.087 1.00 0.00 O ATOM 598 CB HIS A 67 -2.438 1.141 3.021 1.00 0.00 C ATOM 599 CG HIS A 67 -1.095 1.686 2.956 1.00 0.00 C ATOM 600 ND1 HIS A 67 -0.827 2.961 3.395 1.00 0.00 N ATOM 601 CD2 HIS A 67 0.036 1.045 2.866 1.00 0.00 C ATOM 602 CE1 HIS A 67 0.428 3.065 3.616 1.00 0.00 C ATOM 603 NE2 HIS A 67 0.994 1.934 3.328 1.00 0.00 N ATOM 0 H HIS A 67 -4.825 0.486 3.046 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.504 2.964 3.407 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.597 0.730 4.018 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.509 0.310 2.319 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -1.516 3.702 3.523 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.193 0.038 2.508 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.933 3.947 3.981 1.00 0.00 H new ATOM 611 N LYS A 68 -3.736 1.754 0.436 1.00 0.00 N ATOM 612 CA LYS A 68 -3.576 2.093 -0.921 1.00 0.00 C ATOM 613 C LYS A 68 -4.569 3.167 -1.354 1.00 0.00 C ATOM 614 O LYS A 68 -4.297 3.950 -2.256 1.00 0.00 O ATOM 615 CB LYS A 68 -3.486 0.887 -1.811 1.00 0.00 C ATOM 616 CG LYS A 68 -2.313 -0.061 -1.426 1.00 0.00 C ATOM 617 CD LYS A 68 -2.086 -1.092 -2.539 1.00 0.00 C ATOM 618 CE LYS A 68 -3.342 -1.906 -2.847 1.00 0.00 C ATOM 619 NZ LYS A 68 -3.139 -2.831 -3.989 1.00 0.00 N ATOM 0 H LYS A 68 -4.144 0.836 0.612 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.600 2.564 -1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.424 0.335 -1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.360 1.212 -2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.404 0.518 -1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.538 -0.569 -0.488 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.758 -0.579 -3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.282 -1.767 -2.246 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.629 -2.477 -1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.167 -1.229 -3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.015 -3.364 -4.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.890 -2.285 -4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.369 -3.494 -3.766 1.00 0.00 H new ATOM 633 N LYS A 69 -5.715 3.204 -0.697 1.00 0.00 N ATOM 634 CA LYS A 69 -6.629 4.314 -0.850 1.00 0.00 C ATOM 635 C LYS A 69 -5.935 5.595 -0.369 1.00 0.00 C ATOM 636 O LYS A 69 -5.989 6.633 -1.033 1.00 0.00 O ATOM 637 CB LYS A 69 -7.891 4.095 -0.042 1.00 0.00 C ATOM 638 CG LYS A 69 -8.823 5.279 -0.105 1.00 0.00 C ATOM 639 CD LYS A 69 -10.054 5.083 0.763 1.00 0.00 C ATOM 640 CE LYS A 69 -10.883 3.893 0.312 1.00 0.00 C ATOM 641 NZ LYS A 69 -12.058 3.697 1.174 1.00 0.00 N ATOM 0 H LYS A 69 -6.031 2.478 -0.054 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.906 4.399 -1.901 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.407 3.209 -0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.625 3.899 0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.292 6.175 0.216 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.130 5.443 -1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.748 4.940 1.799 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.666 5.984 0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.207 4.043 -0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.267 2.994 0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.602 2.877 0.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.747 3.529 2.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.657 4.546 1.142 1.00 0.00 H new ATOM 655 N ARG A 70 -5.257 5.489 0.790 1.00 0.00 N ATOM 656 CA ARG A 70 -4.452 6.581 1.358 1.00 0.00 C ATOM 657 C ARG A 70 -3.442 7.083 0.341 1.00 0.00 C ATOM 658 O ARG A 70 -3.140 8.263 0.285 1.00 0.00 O ATOM 659 CB ARG A 70 -3.729 6.062 2.608 1.00 0.00 C ATOM 660 CG ARG A 70 -2.634 6.959 3.183 1.00 0.00 C ATOM 661 CD ARG A 70 -3.132 8.317 3.624 1.00 0.00 C ATOM 662 NE ARG A 70 -2.014 9.133 4.093 1.00 0.00 N ATOM 663 CZ ARG A 70 -2.055 10.430 4.375 1.00 0.00 C ATOM 664 NH1 ARG A 70 -3.192 11.104 4.295 1.00 0.00 N ATOM 665 NH2 ARG A 70 -0.946 11.049 4.754 1.00 0.00 N ATOM 0 H ARG A 70 -5.254 4.641 1.357 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.105 7.412 1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.473 5.890 3.386 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.287 5.094 2.370 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.174 6.456 4.034 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.855 7.093 2.433 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.634 8.816 2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.868 8.202 4.420 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.118 8.662 4.215 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.049 10.627 4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.211 12.100 4.514 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.071 10.529 4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.967 12.045 4.973 1.00 0.00 H new ATOM 679 N LEU A 71 -2.959 6.179 -0.461 1.00 0.00 N ATOM 680 CA LEU A 71 -1.994 6.470 -1.471 1.00 0.00 C ATOM 681 C LEU A 71 -2.594 7.323 -2.569 1.00 0.00 C ATOM 682 O LEU A 71 -1.950 8.221 -3.080 1.00 0.00 O ATOM 683 CB LEU A 71 -1.432 5.175 -2.031 1.00 0.00 C ATOM 684 CG LEU A 71 -0.617 4.323 -1.061 1.00 0.00 C ATOM 685 CD1 LEU A 71 -0.116 3.058 -1.725 1.00 0.00 C ATOM 686 CD2 LEU A 71 0.542 5.112 -0.528 1.00 0.00 C ATOM 0 H LEU A 71 -3.234 5.197 -0.427 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.180 7.041 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.261 4.573 -2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.803 5.416 -2.888 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.271 4.038 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.460 2.474 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.965 2.469 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.517 3.318 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.116 4.494 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.181 5.423 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.172 5.994 -0.004 1.00 0.00 H new ATOM 698 N LYS A 72 -3.833 7.056 -2.910 1.00 0.00 N ATOM 699 CA LYS A 72 -4.522 7.845 -3.915 1.00 0.00 C ATOM 700 C LYS A 72 -4.889 9.217 -3.346 1.00 0.00 C ATOM 701 O LYS A 72 -4.912 10.214 -4.067 1.00 0.00 O ATOM 702 CB LYS A 72 -5.753 7.103 -4.455 1.00 0.00 C ATOM 703 CG LYS A 72 -5.404 5.793 -5.162 1.00 0.00 C ATOM 704 CD LYS A 72 -6.632 5.086 -5.740 1.00 0.00 C ATOM 705 CE LYS A 72 -7.616 4.641 -4.662 1.00 0.00 C ATOM 706 NZ LYS A 72 -8.794 3.937 -5.239 1.00 0.00 N ATOM 0 H LYS A 72 -4.388 6.300 -2.509 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.850 7.999 -4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.434 6.893 -3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.285 7.753 -5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.696 5.996 -5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.905 5.127 -4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.139 5.756 -6.435 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.310 4.217 -6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.109 3.982 -3.958 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.954 5.510 -4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.437 3.652 -4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.294 4.574 -5.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.475 3.093 -5.756 1.00 0.00 H new ATOM 720 N GLN A 73 -5.135 9.257 -2.041 1.00 0.00 N ATOM 721 CA GLN A 73 -5.413 10.509 -1.339 1.00 0.00 C ATOM 722 C GLN A 73 -4.148 11.356 -1.266 1.00 0.00 C ATOM 723 O GLN A 73 -4.170 12.562 -1.530 1.00 0.00 O ATOM 724 CB GLN A 73 -5.919 10.237 0.077 1.00 0.00 C ATOM 725 CG GLN A 73 -7.226 9.474 0.143 1.00 0.00 C ATOM 726 CD GLN A 73 -7.665 9.238 1.566 1.00 0.00 C ATOM 727 OE1 GLN A 73 -7.332 8.220 2.177 1.00 0.00 O ATOM 728 NE2 GLN A 73 -8.388 10.176 2.113 1.00 0.00 N ATOM 0 H GLN A 73 -5.148 8.431 -1.442 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.184 11.045 -1.892 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.158 9.676 0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.042 11.189 0.594 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.999 10.030 -0.388 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.114 8.517 -0.366 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.643 11.003 1.574 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.699 10.082 3.080 1.00 0.00 H new ATOM 737 N LEU A 74 -3.045 10.708 -0.913 1.00 0.00 N ATOM 738 CA LEU A 74 -1.740 11.350 -0.805 1.00 0.00 C ATOM 739 C LEU A 74 -1.204 11.688 -2.196 1.00 0.00 C ATOM 740 O LEU A 74 -0.307 12.522 -2.348 1.00 0.00 O ATOM 741 CB LEU A 74 -0.779 10.426 -0.069 1.00 0.00 C ATOM 742 CG LEU A 74 0.632 10.952 0.216 1.00 0.00 C ATOM 743 CD1 LEU A 74 0.586 12.183 1.112 1.00 0.00 C ATOM 744 CD2 LEU A 74 1.480 9.862 0.851 1.00 0.00 C ATOM 0 H LEU A 74 -3.031 9.712 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.838 12.278 -0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.236 10.156 0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.685 9.508 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 74 1.086 11.243 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.600 12.536 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.013 12.969 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.111 11.926 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.480 10.248 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.022 9.544 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.547 9.011 0.173 1.00 0.00 H new ATOM 756 N SER A 75 -1.788 11.016 -3.192 1.00 0.00 N ATOM 757 CA SER A 75 -1.506 11.191 -4.603 1.00 0.00 C ATOM 758 C SER A 75 -0.235 10.488 -5.055 1.00 0.00 C ATOM 759 O SER A 75 0.882 10.960 -4.828 1.00 0.00 O ATOM 760 CB SER A 75 -1.536 12.661 -5.013 1.00 0.00 C ATOM 761 OG SER A 75 -2.815 13.227 -4.713 1.00 0.00 O ATOM 0 H SER A 75 -2.500 10.306 -3.020 1.00 0.00 H new ATOM 0 HA SER A 75 -2.317 10.695 -5.135 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.754 13.210 -4.488 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.329 12.754 -6.079 1.00 0.00 H new ATOM 0 HG SER A 75 -2.825 14.171 -4.977 1.00 0.00 H new ATOM 767 N VAL A 76 -0.426 9.339 -5.679 1.00 0.00 N ATOM 768 CA VAL A 76 0.654 8.560 -6.248 1.00 0.00 C ATOM 769 C VAL A 76 1.162 9.272 -7.486 1.00 0.00 C ATOM 770 O VAL A 76 2.358 9.239 -7.785 1.00 0.00 O ATOM 771 CB VAL A 76 0.174 7.130 -6.641 1.00 0.00 C ATOM 772 CG1 VAL A 76 1.302 6.308 -7.255 1.00 0.00 C ATOM 773 CG2 VAL A 76 -0.421 6.407 -5.447 1.00 0.00 C ATOM 0 H VAL A 76 -1.346 8.918 -5.805 1.00 0.00 H new ATOM 0 HA VAL A 76 1.445 8.461 -5.504 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.604 7.246 -7.396 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.930 5.317 -7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.668 6.806 -8.153 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.115 6.212 -6.536 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.748 5.412 -5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.331 6.319 -4.663 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.275 6.970 -5.069 1.00 0.00 H new ATOM 783 N GLU A 77 0.225 9.940 -8.177 1.00 0.00 N ATOM 784 CA GLU A 77 0.491 10.693 -9.399 1.00 0.00 C ATOM 785 C GLU A 77 0.799 9.750 -10.560 1.00 0.00 C ATOM 786 O GLU A 77 1.849 9.101 -10.586 1.00 0.00 O ATOM 787 CB GLU A 77 1.644 11.707 -9.219 1.00 0.00 C ATOM 788 CG GLU A 77 1.968 12.508 -10.470 1.00 0.00 C ATOM 789 CD GLU A 77 3.238 13.294 -10.331 1.00 0.00 C ATOM 790 OE1 GLU A 77 4.322 12.716 -10.557 1.00 0.00 O ATOM 791 OE2 GLU A 77 3.190 14.490 -10.004 1.00 0.00 O ATOM 0 H GLU A 77 -0.754 9.968 -7.892 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.413 11.257 -9.627 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.385 12.397 -8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.539 11.171 -8.902 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.054 11.831 -11.320 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.144 13.188 -10.686 1.00 0.00 H new ATOM 798 N PRO A 78 -0.119 9.629 -11.519 1.00 0.00 N ATOM 799 CA PRO A 78 0.117 8.837 -12.715 1.00 0.00 C ATOM 800 C PRO A 78 1.259 9.443 -13.521 1.00 0.00 C ATOM 801 O PRO A 78 1.174 10.598 -13.958 1.00 0.00 O ATOM 802 CB PRO A 78 -1.208 8.945 -13.498 1.00 0.00 C ATOM 803 CG PRO A 78 -2.208 9.382 -12.486 1.00 0.00 C ATOM 804 CD PRO A 78 -1.453 10.244 -11.521 1.00 0.00 C ATOM 0 HA PRO A 78 0.394 7.805 -12.497 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.129 9.664 -14.313 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.485 7.989 -13.942 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -3.022 9.936 -12.953 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.654 8.526 -11.981 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.420 11.284 -11.846 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.905 10.235 -10.529 1.00 0.00 H new ATOM 812 N TYR A 79 2.332 8.688 -13.671 1.00 0.00 N ATOM 813 CA TYR A 79 3.507 9.136 -14.403 1.00 0.00 C ATOM 814 C TYR A 79 3.175 9.540 -15.834 1.00 0.00 C ATOM 815 O TYR A 79 2.285 8.955 -16.482 1.00 0.00 O ATOM 816 CB TYR A 79 4.654 8.103 -14.330 1.00 0.00 C ATOM 817 CG TYR A 79 4.253 6.685 -14.659 1.00 0.00 C ATOM 818 CD1 TYR A 79 4.181 6.230 -15.971 1.00 0.00 C ATOM 819 CD2 TYR A 79 3.935 5.797 -13.641 1.00 0.00 C ATOM 820 CE1 TYR A 79 3.804 4.932 -16.250 1.00 0.00 C ATOM 821 CE2 TYR A 79 3.558 4.509 -13.910 1.00 0.00 C ATOM 822 CZ TYR A 79 3.489 4.076 -15.212 1.00 0.00 C ATOM 823 OH TYR A 79 3.096 2.779 -15.475 1.00 0.00 O ATOM 0 H TYR A 79 2.415 7.746 -13.289 1.00 0.00 H new ATOM 0 HA TYR A 79 3.867 10.039 -13.909 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.444 8.410 -15.015 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.077 8.122 -13.326 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.423 6.901 -16.782 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.986 6.129 -12.615 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.756 4.588 -17.273 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.316 3.835 -13.101 1.00 0.00 H new ATOM 0 HH TYR A 79 2.914 2.315 -14.631 1.00 0.00 H new ATOM 833 N SER A 80 3.866 10.546 -16.303 1.00 0.00 N ATOM 834 CA SER A 80 3.638 11.100 -17.611 1.00 0.00 C ATOM 835 C SER A 80 4.970 11.454 -18.234 1.00 0.00 C ATOM 836 O SER A 80 5.575 12.470 -17.871 1.00 0.00 O ATOM 837 CB SER A 80 2.767 12.358 -17.499 1.00 0.00 C ATOM 838 OG SER A 80 1.549 12.080 -16.813 1.00 0.00 O ATOM 0 H SER A 80 4.611 11.008 -15.782 1.00 0.00 H new ATOM 0 HA SER A 80 3.123 10.369 -18.234 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.316 13.138 -16.971 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.547 12.742 -18.495 1.00 0.00 H new ATOM 0 HG SER A 80 1.013 12.898 -16.754 1.00 0.00 H new ATOM 844 N GLN A 81 5.446 10.579 -19.121 1.00 0.00 N ATOM 845 CA GLN A 81 6.721 10.733 -19.820 1.00 0.00 C ATOM 846 C GLN A 81 7.881 10.686 -18.774 1.00 0.00 C ATOM 847 O GLN A 81 7.626 10.430 -17.586 1.00 0.00 O ATOM 848 CB GLN A 81 6.715 12.041 -20.675 1.00 0.00 C ATOM 849 CG GLN A 81 7.838 12.160 -21.706 1.00 0.00 C ATOM 850 CD GLN A 81 7.779 13.451 -22.499 1.00 0.00 C ATOM 851 OE1 GLN A 81 7.329 14.478 -22.009 1.00 0.00 O ATOM 852 NE2 GLN A 81 8.215 13.409 -23.736 1.00 0.00 N ATOM 0 H GLN A 81 4.946 9.728 -19.378 1.00 0.00 H new ATOM 0 HA GLN A 81 6.877 9.913 -20.521 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.760 12.110 -21.195 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.773 12.895 -20.000 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.800 12.096 -21.197 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.784 11.315 -22.393 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.585 12.538 -24.117 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.184 14.247 -24.316 1.00 0.00 H new ATOM 861 N GLU A 82 9.131 10.848 -19.225 1.00 0.00 N ATOM 862 CA GLU A 82 10.353 10.856 -18.390 1.00 0.00 C ATOM 863 C GLU A 82 10.676 9.444 -17.921 1.00 0.00 C ATOM 864 O GLU A 82 11.738 8.897 -18.208 1.00 0.00 O ATOM 865 CB GLU A 82 10.230 11.840 -17.201 1.00 0.00 C ATOM 866 CG GLU A 82 11.499 11.995 -16.383 1.00 0.00 C ATOM 867 CD GLU A 82 12.632 12.580 -17.187 1.00 0.00 C ATOM 868 OE1 GLU A 82 13.372 11.826 -17.819 1.00 0.00 O ATOM 869 OE2 GLU A 82 12.798 13.828 -17.189 1.00 0.00 O ATOM 0 H GLU A 82 9.334 10.982 -20.216 1.00 0.00 H new ATOM 0 HA GLU A 82 11.182 11.212 -19.002 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.937 12.818 -17.583 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.428 11.500 -16.545 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.298 12.635 -15.524 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.798 11.022 -15.993 1.00 0.00 H new ATOM 876 N GLU A 83 9.737 8.867 -17.249 1.00 0.00 N ATOM 877 CA GLU A 83 9.844 7.519 -16.747 1.00 0.00 C ATOM 878 C GLU A 83 9.397 6.551 -17.816 1.00 0.00 C ATOM 879 O GLU A 83 9.896 5.432 -17.919 1.00 0.00 O ATOM 880 CB GLU A 83 9.015 7.341 -15.475 1.00 0.00 C ATOM 881 CG GLU A 83 9.512 8.156 -14.297 1.00 0.00 C ATOM 882 CD GLU A 83 8.724 7.892 -13.042 1.00 0.00 C ATOM 883 OE1 GLU A 83 8.866 6.778 -12.461 1.00 0.00 O ATOM 884 OE2 GLU A 83 7.979 8.792 -12.588 1.00 0.00 O ATOM 0 H GLU A 83 8.852 9.320 -17.023 1.00 0.00 H new ATOM 0 HA GLU A 83 10.884 7.317 -16.492 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.982 7.618 -15.685 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.013 6.286 -15.199 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.562 7.927 -14.118 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.454 9.216 -14.542 1.00 0.00 H new ATOM 891 N ALA A 84 8.456 6.991 -18.604 1.00 0.00 N ATOM 892 CA ALA A 84 7.976 6.233 -19.719 1.00 0.00 C ATOM 893 C ALA A 84 7.998 7.134 -20.923 1.00 0.00 C ATOM 894 O ALA A 84 7.107 7.945 -21.114 1.00 0.00 O ATOM 895 CB ALA A 84 6.576 5.688 -19.458 1.00 0.00 C ATOM 0 H ALA A 84 7.998 7.895 -18.487 1.00 0.00 H new ATOM 0 HA ALA A 84 8.615 5.366 -19.887 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.240 5.117 -20.324 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.595 5.040 -18.582 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.890 6.517 -19.282 1.00 0.00 H new ATOM 901 N GLU A 85 9.058 7.049 -21.680 1.00 0.00 N ATOM 902 CA GLU A 85 9.235 7.900 -22.832 1.00 0.00 C ATOM 903 C GLU A 85 8.939 7.144 -24.106 1.00 0.00 C ATOM 904 O GLU A 85 9.029 7.699 -25.200 1.00 0.00 O ATOM 905 CB GLU A 85 10.653 8.450 -22.874 1.00 0.00 C ATOM 906 CG GLU A 85 11.038 9.263 -21.659 1.00 0.00 C ATOM 907 CD GLU A 85 12.453 9.756 -21.735 1.00 0.00 C ATOM 908 OE1 GLU A 85 13.373 8.999 -21.383 1.00 0.00 O ATOM 909 OE2 GLU A 85 12.673 10.907 -22.164 1.00 0.00 O ATOM 0 H GLU A 85 9.822 6.392 -21.519 1.00 0.00 H new ATOM 0 HA GLU A 85 8.535 8.731 -22.749 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.350 7.619 -22.977 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.764 9.071 -23.763 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.363 10.113 -21.564 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.914 8.655 -20.763 1.00 0.00 H new ATOM 916 N ARG A 86 8.606 5.882 -23.963 1.00 0.00 N ATOM 917 CA ARG A 86 8.281 5.052 -25.101 1.00 0.00 C ATOM 918 C ARG A 86 7.004 5.540 -25.778 1.00 0.00 C ATOM 919 O ARG A 86 6.071 6.023 -25.117 1.00 0.00 O ATOM 920 CB ARG A 86 8.142 3.571 -24.693 1.00 0.00 C ATOM 921 CG ARG A 86 7.046 3.294 -23.667 1.00 0.00 C ATOM 922 CD ARG A 86 6.959 1.812 -23.320 1.00 0.00 C ATOM 923 NE ARG A 86 6.642 0.968 -24.493 1.00 0.00 N ATOM 924 CZ ARG A 86 6.453 -0.365 -24.445 1.00 0.00 C ATOM 925 NH1 ARG A 86 6.544 -1.009 -23.293 1.00 0.00 N ATOM 926 NH2 ARG A 86 6.178 -1.042 -25.557 1.00 0.00 N ATOM 0 H ARG A 86 8.553 5.405 -23.063 1.00 0.00 H new ATOM 0 HA ARG A 86 9.103 5.129 -25.813 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.943 2.979 -25.586 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.095 3.228 -24.289 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.242 3.869 -22.762 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.087 3.633 -24.059 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.907 1.488 -22.890 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.195 1.666 -22.556 1.00 0.00 H new ATOM 0 HE ARG A 86 6.561 1.427 -25.400 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.758 -0.496 -22.438 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.400 -2.018 -23.260 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.110 -0.552 -26.449 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.035 -2.051 -25.518 1.00 0.00 H new ATOM 940 N ALA A 87 6.982 5.458 -27.077 1.00 0.00 N ATOM 941 CA ALA A 87 5.816 5.826 -27.830 1.00 0.00 C ATOM 942 C ALA A 87 4.945 4.607 -27.989 1.00 0.00 C ATOM 943 O ALA A 87 3.749 4.637 -27.690 1.00 0.00 O ATOM 944 CB ALA A 87 6.210 6.380 -29.185 1.00 0.00 C ATOM 0 H ALA A 87 7.767 5.136 -27.643 1.00 0.00 H new ATOM 0 HA ALA A 87 5.266 6.605 -27.301 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.313 6.653 -29.741 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.836 7.262 -29.049 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.765 5.623 -29.740 1.00 0.00 H new ATOM 950 N ALA A 88 5.562 3.525 -28.420 1.00 0.00 N ATOM 951 CA ALA A 88 4.896 2.257 -28.628 1.00 0.00 C ATOM 952 C ALA A 88 5.935 1.178 -28.784 1.00 0.00 C ATOM 953 O ALA A 88 6.056 0.282 -27.945 1.00 0.00 O ATOM 954 CB ALA A 88 3.982 2.306 -29.850 1.00 0.00 C ATOM 0 H ALA A 88 6.558 3.503 -28.639 1.00 0.00 H new ATOM 0 HA ALA A 88 4.269 2.039 -27.763 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.496 1.339 -29.980 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.224 3.077 -29.707 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.572 2.538 -30.737 1.00 0.00 H new ATOM 960 N GLY A 89 6.703 1.300 -29.825 1.00 0.00 N ATOM 961 CA GLY A 89 7.745 0.356 -30.108 1.00 0.00 C ATOM 962 C GLY A 89 7.627 -0.179 -31.505 1.00 0.00 C ATOM 963 O GLY A 89 7.146 -1.287 -31.705 1.00 0.00 O ATOM 0 H GLY A 89 6.626 2.058 -30.504 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.717 0.833 -29.979 1.00 0.00 H new ATOM 0 HA3 GLY A 89 7.697 -0.467 -29.395 1.00 0.00 H new ATOM 967 N MET A 90 8.043 0.611 -32.471 1.00 0.00 N ATOM 968 CA MET A 90 7.975 0.215 -33.870 1.00 0.00 C ATOM 969 C MET A 90 8.970 -0.890 -34.185 1.00 0.00 C ATOM 970 O MET A 90 10.189 -0.700 -34.085 1.00 0.00 O ATOM 971 CB MET A 90 8.204 1.417 -34.800 1.00 0.00 C ATOM 972 CG MET A 90 8.194 1.062 -36.284 1.00 0.00 C ATOM 973 SD MET A 90 8.458 2.488 -37.350 1.00 0.00 S ATOM 974 CE MET A 90 8.470 1.702 -38.962 1.00 0.00 C ATOM 0 H MET A 90 8.436 1.540 -32.316 1.00 0.00 H new ATOM 0 HA MET A 90 6.971 -0.171 -34.046 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.432 2.163 -34.610 1.00 0.00 H new ATOM 0 HB3 MET A 90 9.161 1.878 -34.553 1.00 0.00 H new ATOM 0 HG2 MET A 90 8.969 0.321 -36.480 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.239 0.600 -36.535 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.625 2.456 -39.733 1.00 0.00 H new ATOM 0 HE2 MET A 90 9.276 0.970 -39.004 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.516 1.201 -39.130 1.00 0.00 H new ATOM 984 N GLY A 91 8.453 -2.038 -34.539 1.00 0.00 N ATOM 985 CA GLY A 91 9.284 -3.142 -34.917 1.00 0.00 C ATOM 986 C GLY A 91 9.475 -3.176 -36.411 1.00 0.00 C ATOM 987 O GLY A 91 10.550 -2.850 -36.901 1.00 0.00 O ATOM 0 H GLY A 91 7.452 -2.229 -34.572 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.252 -3.061 -34.423 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.832 -4.076 -34.582 1.00 0.00 H new ATOM 991 N SER A 92 8.410 -3.532 -37.124 1.00 0.00 N ATOM 992 CA SER A 92 8.407 -3.640 -38.579 1.00 0.00 C ATOM 993 C SER A 92 9.535 -4.564 -39.060 1.00 0.00 C ATOM 994 O SER A 92 10.577 -4.115 -39.540 1.00 0.00 O ATOM 995 CB SER A 92 8.485 -2.258 -39.233 1.00 0.00 C ATOM 996 OG SER A 92 7.428 -1.429 -38.757 1.00 0.00 O ATOM 0 H SER A 92 7.510 -3.757 -36.699 1.00 0.00 H new ATOM 0 HA SER A 92 7.463 -4.089 -38.887 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.447 -1.796 -39.011 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.420 -2.356 -40.317 1.00 0.00 H new ATOM 0 HG SER A 92 7.070 -0.898 -39.498 1.00 0.00 H new ATOM 1002 N TYR A 93 9.336 -5.839 -38.883 1.00 0.00 N ATOM 1003 CA TYR A 93 10.333 -6.814 -39.140 1.00 0.00 C ATOM 1004 C TYR A 93 10.050 -7.616 -40.407 1.00 0.00 C ATOM 1005 O TYR A 93 9.005 -7.449 -41.041 1.00 0.00 O ATOM 1006 CB TYR A 93 10.471 -7.715 -37.913 1.00 0.00 C ATOM 1007 CG TYR A 93 9.166 -8.259 -37.351 1.00 0.00 C ATOM 1008 CD1 TYR A 93 8.464 -7.558 -36.378 1.00 0.00 C ATOM 1009 CD2 TYR A 93 8.645 -9.468 -37.784 1.00 0.00 C ATOM 1010 CE1 TYR A 93 7.285 -8.044 -35.858 1.00 0.00 C ATOM 1011 CE2 TYR A 93 7.463 -9.960 -37.268 1.00 0.00 C ATOM 1012 CZ TYR A 93 6.788 -9.245 -36.305 1.00 0.00 C ATOM 1013 OH TYR A 93 5.602 -9.728 -35.794 1.00 0.00 O ATOM 0 H TYR A 93 8.454 -6.228 -38.549 1.00 0.00 H new ATOM 0 HA TYR A 93 11.280 -6.307 -39.322 1.00 0.00 H new ATOM 0 HB2 TYR A 93 11.114 -8.556 -38.172 1.00 0.00 H new ATOM 0 HB3 TYR A 93 10.979 -7.155 -37.128 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.850 -6.614 -36.023 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.172 -10.034 -38.537 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.754 -7.484 -35.103 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.069 -10.903 -37.619 1.00 0.00 H new ATOM 0 HH TYR A 93 5.390 -10.587 -36.216 1.00 0.00 H new ATOM 1023 N VAL A 94 10.988 -8.459 -40.778 1.00 0.00 N ATOM 1024 CA VAL A 94 10.857 -9.294 -41.944 1.00 0.00 C ATOM 1025 C VAL A 94 10.555 -10.710 -41.493 1.00 0.00 C ATOM 1026 O VAL A 94 9.379 -11.098 -41.510 1.00 0.00 O ATOM 1027 CB VAL A 94 12.141 -9.279 -42.826 1.00 0.00 C ATOM 1028 CG1 VAL A 94 11.959 -10.135 -44.076 1.00 0.00 C ATOM 1029 CG2 VAL A 94 12.521 -7.857 -43.207 1.00 0.00 C ATOM 0 H VAL A 94 11.866 -8.583 -40.274 1.00 0.00 H new ATOM 0 HA VAL A 94 10.045 -8.904 -42.557 1.00 0.00 H new ATOM 0 HB VAL A 94 12.953 -9.706 -42.237 1.00 0.00 H new ATOM 0 HG11 VAL A 94 12.871 -10.106 -44.673 1.00 0.00 H new ATOM 0 HG12 VAL A 94 11.748 -11.164 -43.785 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.128 -9.747 -44.665 1.00 0.00 H new ATOM 0 HG21 VAL A 94 13.420 -7.873 -43.823 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.706 -7.400 -43.768 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.710 -7.276 -42.304 1.00 0.00 H new TER 1039 VAL A 94 HETATM 1040 ZN ZN A 117 2.878 1.582 3.646 1.00 0.00 ZN