USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 471 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 Set 1.1: A 36 LYS NZ :NH3+ 136:sc= 0.809 (180deg=-0.00416) USER MOD Set 1.2: A 37 ASN : amide:sc= 0.656 K(o=1.5,f=-4.5) USER MOD Single : A 1 TRP N :NH3+ 159:sc= 0.374 (180deg=0.197) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -167:sc= -0.0599 (180deg=-0.372) USER MOD Single : A 8 THR OG1 : rot 75:sc= 0.949 USER MOD Single : A 10 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0091) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.382 X(o=-0.38,f=-0.77) USER MOD Single : A 19 ASN : amide:sc= -0.0939 K(o=-0.094,f=-4.8!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -165:sc= 0 (180deg=-0.00587) USER MOD Single : A 29 SER OG : rot -50:sc= 0.333 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0512 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.698 K(o=-0.7,f=-0.15) USER MOD Single : A 35 CYS SG : rot -29:sc= -3.26! USER MOD Single : A 39 TYR OH : rot -130:sc= 0.661 USER MOD Single : A 53 GLN : amide:sc= -0.0577 X(o=-0.058,f=-0.045) USER MOD Single : A 54 GLN : amide:sc= -1.3 K(o=-1.3,f=-5.9!) USER MOD Single : A 55 HIS : no HD1:sc= -0.0444 X(o=-0.044,f=-0.0079) USER MOD Single : A 56 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0491) USER MOD Single : A 58 LYS NZ :NH3+ -152:sc= -1.35 (180deg=-2.84!) USER MOD Single : A 59 MET CE :methyl -115:sc= -0.0594 (180deg=-1.66!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.279 1.367 -0.734 1.00 0.00 N ATOM 2 CA TRP A 1 2.304 1.023 -1.744 1.00 0.00 C ATOM 3 C TRP A 1 2.245 -0.483 -2.053 1.00 0.00 C ATOM 4 O TRP A 1 2.752 -1.300 -1.278 1.00 0.00 O ATOM 5 CB TRP A 1 3.729 1.421 -1.268 1.00 0.00 C ATOM 6 CG TRP A 1 3.977 2.912 -1.156 1.00 0.00 C ATOM 7 CD1 TRP A 1 3.408 3.779 -0.265 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.896 3.695 -1.941 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.898 5.044 -0.456 1.00 0.00 N ATOM 10 CE2 TRP A 1 4.814 5.021 -1.477 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.776 3.402 -2.991 1.00 0.00 C ATOM 12 CZ2 TRP A 1 5.577 6.053 -2.018 1.00 0.00 C ATOM 13 CZ3 TRP A 1 6.533 4.426 -3.530 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.430 5.738 -3.043 1.00 0.00 C ATOM 0 H1 TRP A 1 1.536 2.262 -0.270 1.00 0.00 H new ATOM 0 H2 TRP A 1 0.355 1.471 -1.199 1.00 0.00 H new ATOM 0 H3 TRP A 1 1.225 0.611 -0.022 1.00 0.00 H new ATOM 0 HA TRP A 1 2.090 1.588 -2.652 1.00 0.00 H new ATOM 0 HB2 TRP A 1 3.911 0.964 -0.295 1.00 0.00 H new ATOM 0 HB3 TRP A 1 4.457 0.998 -1.960 1.00 0.00 H new ATOM 0 HD1 TRP A 1 2.677 3.506 0.482 1.00 0.00 H new ATOM 0 HE1 TRP A 1 3.625 5.871 0.076 1.00 0.00 H new ATOM 0 HE3 TRP A 1 5.862 2.395 -3.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 5.499 7.063 -1.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 7.215 4.212 -4.340 1.00 0.00 H new ATOM 0 HH2 TRP A 1 7.035 6.515 -3.485 1.00 0.00 H new ATOM 25 N THR A 2 1.590 -0.837 -3.171 1.00 0.00 N ATOM 26 CA THR A 2 1.529 -2.224 -3.683 1.00 0.00 C ATOM 27 C THR A 2 2.882 -2.585 -4.361 1.00 0.00 C ATOM 28 O THR A 2 3.666 -1.688 -4.685 1.00 0.00 O ATOM 29 CB THR A 2 0.341 -2.359 -4.706 1.00 0.00 C ATOM 30 OG1 THR A 2 -0.799 -1.636 -4.214 1.00 0.00 O ATOM 31 CG2 THR A 2 -0.077 -3.819 -4.951 1.00 0.00 C ATOM 0 H THR A 2 1.084 -0.168 -3.751 1.00 0.00 H new ATOM 0 HA THR A 2 1.355 -2.915 -2.858 1.00 0.00 H new ATOM 0 HB THR A 2 0.693 -1.950 -5.653 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.539 -1.718 -4.852 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.900 -3.847 -5.665 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.769 -4.378 -5.351 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.397 -4.269 -4.011 1.00 0.00 H new ATOM 39 N GLU A 3 3.140 -3.892 -4.589 1.00 0.00 N ATOM 40 CA GLU A 3 4.417 -4.403 -5.166 1.00 0.00 C ATOM 41 C GLU A 3 4.766 -3.795 -6.553 1.00 0.00 C ATOM 42 O GLU A 3 5.926 -3.868 -6.983 1.00 0.00 O ATOM 43 CB GLU A 3 4.371 -5.948 -5.250 1.00 0.00 C ATOM 44 CG GLU A 3 4.289 -6.647 -3.881 1.00 0.00 C ATOM 45 CD GLU A 3 3.996 -8.153 -3.983 1.00 0.00 C ATOM 46 OE1 GLU A 3 4.885 -8.912 -4.419 1.00 0.00 O ATOM 47 OE2 GLU A 3 2.868 -8.583 -3.641 1.00 0.00 O ATOM 0 H GLU A 3 2.469 -4.631 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 3 5.213 -4.085 -4.492 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.510 -6.244 -5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.260 -6.300 -5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.230 -6.502 -3.350 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.510 -6.172 -3.285 1.00 0.00 H new ATOM 54 N GLU A 4 3.759 -3.230 -7.248 1.00 0.00 N ATOM 55 CA GLU A 4 3.950 -2.530 -8.540 1.00 0.00 C ATOM 56 C GLU A 4 4.851 -1.285 -8.357 1.00 0.00 C ATOM 57 O GLU A 4 5.929 -1.193 -8.955 1.00 0.00 O ATOM 58 CB GLU A 4 2.565 -2.114 -9.112 1.00 0.00 C ATOM 59 CG GLU A 4 1.618 -3.298 -9.389 1.00 0.00 C ATOM 60 CD GLU A 4 0.174 -2.861 -9.695 1.00 0.00 C ATOM 61 OE1 GLU A 4 -0.599 -2.626 -8.737 1.00 0.00 O ATOM 62 OE2 GLU A 4 -0.196 -2.749 -10.885 1.00 0.00 O ATOM 0 H GLU A 4 2.789 -3.244 -6.932 1.00 0.00 H new ATOM 0 HA GLU A 4 4.442 -3.205 -9.240 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.083 -1.434 -8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.718 -1.560 -10.038 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.003 -3.873 -10.231 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.614 -3.962 -8.525 1.00 0.00 H new ATOM 69 N GLU A 5 4.423 -0.371 -7.467 1.00 0.00 N ATOM 70 CA GLU A 5 5.155 0.883 -7.175 1.00 0.00 C ATOM 71 C GLU A 5 6.356 0.615 -6.259 1.00 0.00 C ATOM 72 O GLU A 5 7.332 1.346 -6.318 1.00 0.00 O ATOM 73 CB GLU A 5 4.238 1.994 -6.573 1.00 0.00 C ATOM 74 CG GLU A 5 3.391 1.582 -5.342 1.00 0.00 C ATOM 75 CD GLU A 5 1.943 1.182 -5.695 1.00 0.00 C ATOM 76 OE1 GLU A 5 1.746 0.188 -6.425 1.00 0.00 O ATOM 77 OE2 GLU A 5 0.995 1.869 -5.252 1.00 0.00 O ATOM 0 H GLU A 5 3.563 -0.477 -6.929 1.00 0.00 H new ATOM 0 HA GLU A 5 5.518 1.260 -8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.864 2.841 -6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.562 2.342 -7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.878 0.746 -4.840 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.368 2.410 -4.634 1.00 0.00 H new ATOM 84 N MET A 6 6.256 -0.420 -5.401 1.00 0.00 N ATOM 85 CA MET A 6 7.385 -0.893 -4.564 1.00 0.00 C ATOM 86 C MET A 6 8.532 -1.423 -5.439 1.00 0.00 C ATOM 87 O MET A 6 9.702 -1.198 -5.134 1.00 0.00 O ATOM 88 CB MET A 6 6.936 -2.009 -3.574 1.00 0.00 C ATOM 89 CG MET A 6 6.061 -1.524 -2.416 1.00 0.00 C ATOM 90 SD MET A 6 6.841 -0.213 -1.454 1.00 0.00 S ATOM 91 CE MET A 6 8.385 -0.977 -0.945 1.00 0.00 C ATOM 0 H MET A 6 5.396 -0.952 -5.267 1.00 0.00 H new ATOM 0 HA MET A 6 7.735 -0.036 -3.989 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.389 -2.770 -4.130 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.824 -2.490 -3.164 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.111 -1.163 -2.810 1.00 0.00 H new ATOM 0 HG3 MET A 6 5.835 -2.365 -1.760 1.00 0.00 H new ATOM 0 HE1 MET A 6 8.850 -0.373 -0.166 1.00 0.00 H new ATOM 0 HE2 MET A 6 8.186 -1.977 -0.559 1.00 0.00 H new ATOM 0 HE3 MET A 6 9.057 -1.045 -1.801 1.00 0.00 H new ATOM 101 N GLY A 7 8.164 -2.123 -6.524 1.00 0.00 N ATOM 102 CA GLY A 7 9.128 -2.690 -7.467 1.00 0.00 C ATOM 103 C GLY A 7 9.736 -1.642 -8.390 1.00 0.00 C ATOM 104 O GLY A 7 10.893 -1.761 -8.796 1.00 0.00 O ATOM 0 H GLY A 7 7.191 -2.309 -6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.925 -3.185 -6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.635 -3.455 -8.067 1.00 0.00 H new ATOM 108 N THR A 8 8.940 -0.612 -8.722 1.00 0.00 N ATOM 109 CA THR A 8 9.397 0.536 -9.531 1.00 0.00 C ATOM 110 C THR A 8 10.240 1.507 -8.671 1.00 0.00 C ATOM 111 O THR A 8 11.141 2.181 -9.181 1.00 0.00 O ATOM 112 CB THR A 8 8.172 1.280 -10.156 1.00 0.00 C ATOM 113 OG1 THR A 8 7.357 0.339 -10.868 1.00 0.00 O ATOM 114 CG2 THR A 8 8.575 2.417 -11.120 1.00 0.00 C ATOM 0 H THR A 8 7.962 -0.549 -8.439 1.00 0.00 H new ATOM 0 HA THR A 8 10.026 0.162 -10.339 1.00 0.00 H new ATOM 0 HB THR A 8 7.626 1.734 -9.329 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.852 -0.206 -10.229 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.678 2.891 -11.518 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.169 3.156 -10.582 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.163 2.007 -11.941 1.00 0.00 H new ATOM 122 N ALA A 9 9.938 1.556 -7.358 1.00 0.00 N ATOM 123 CA ALA A 9 10.716 2.343 -6.371 1.00 0.00 C ATOM 124 C ALA A 9 12.033 1.629 -6.070 1.00 0.00 C ATOM 125 O ALA A 9 13.039 2.262 -5.826 1.00 0.00 O ATOM 126 CB ALA A 9 9.910 2.563 -5.076 1.00 0.00 C ATOM 0 H ALA A 9 9.150 1.053 -6.949 1.00 0.00 H new ATOM 0 HA ALA A 9 10.929 3.323 -6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.506 3.143 -4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.992 3.104 -5.306 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.662 1.598 -4.634 1.00 0.00 H new ATOM 132 N LYS A 10 11.990 0.299 -6.108 1.00 0.00 N ATOM 133 CA LYS A 10 13.172 -0.574 -5.965 1.00 0.00 C ATOM 134 C LYS A 10 14.132 -0.348 -7.154 1.00 0.00 C ATOM 135 O LYS A 10 15.331 -0.085 -6.977 1.00 0.00 O ATOM 136 CB LYS A 10 12.677 -2.053 -5.868 1.00 0.00 C ATOM 137 CG LYS A 10 13.761 -3.161 -5.865 1.00 0.00 C ATOM 138 CD LYS A 10 14.148 -3.680 -7.277 1.00 0.00 C ATOM 139 CE LYS A 10 15.339 -4.653 -7.237 1.00 0.00 C ATOM 140 NZ LYS A 10 15.064 -5.854 -6.400 1.00 0.00 N ATOM 0 H LYS A 10 11.122 -0.219 -6.241 1.00 0.00 H new ATOM 0 HA LYS A 10 13.731 -0.339 -5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.088 -2.154 -4.956 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.004 -2.240 -6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.655 -2.777 -5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.405 -4.000 -5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.289 -4.179 -7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 10 14.395 -2.833 -7.917 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.581 -4.969 -8.252 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.215 -4.135 -6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.876 -6.502 -6.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 14.909 -5.562 -5.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 14.215 -6.338 -6.755 1.00 0.00 H new ATOM 154 N LYS A 11 13.549 -0.446 -8.364 1.00 0.00 N ATOM 155 CA LYS A 11 14.226 -0.194 -9.655 1.00 0.00 C ATOM 156 C LYS A 11 14.757 1.254 -9.699 1.00 0.00 C ATOM 157 O LYS A 11 15.868 1.515 -10.180 1.00 0.00 O ATOM 158 CB LYS A 11 13.200 -0.437 -10.799 1.00 0.00 C ATOM 159 CG LYS A 11 13.699 -0.158 -12.237 1.00 0.00 C ATOM 160 CD LYS A 11 14.755 -1.168 -12.739 1.00 0.00 C ATOM 161 CE LYS A 11 15.227 -0.854 -14.171 1.00 0.00 C ATOM 162 NZ LYS A 11 16.205 -1.855 -14.671 1.00 0.00 N ATOM 0 H LYS A 11 12.570 -0.709 -8.476 1.00 0.00 H new ATOM 0 HA LYS A 11 15.075 -0.866 -9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.868 -1.474 -10.747 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.326 0.187 -10.613 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.846 -0.171 -12.916 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.123 0.846 -12.276 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.612 -1.159 -12.066 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.336 -2.174 -12.709 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.365 -0.826 -14.838 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.680 0.137 -14.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.495 -1.604 -15.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.040 -1.865 -14.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.766 -2.798 -14.675 1.00 0.00 H new ATOM 176 N GLY A 12 13.950 2.172 -9.145 1.00 0.00 N ATOM 177 CA GLY A 12 14.289 3.587 -9.077 1.00 0.00 C ATOM 178 C GLY A 12 15.465 3.858 -8.153 1.00 0.00 C ATOM 179 O GLY A 12 16.412 4.530 -8.535 1.00 0.00 O ATOM 0 H GLY A 12 13.045 1.946 -8.733 1.00 0.00 H new ATOM 0 HA2 GLY A 12 14.526 3.949 -10.077 1.00 0.00 H new ATOM 0 HA3 GLY A 12 13.422 4.149 -8.731 1.00 0.00 H new ATOM 183 N LEU A 13 15.417 3.300 -6.941 1.00 0.00 N ATOM 184 CA LEU A 13 16.430 3.548 -5.895 1.00 0.00 C ATOM 185 C LEU A 13 17.789 2.980 -6.307 1.00 0.00 C ATOM 186 O LEU A 13 18.804 3.639 -6.107 1.00 0.00 O ATOM 187 CB LEU A 13 15.952 2.991 -4.519 1.00 0.00 C ATOM 188 CG LEU A 13 14.807 3.823 -3.848 1.00 0.00 C ATOM 189 CD1 LEU A 13 14.203 3.113 -2.625 1.00 0.00 C ATOM 190 CD2 LEU A 13 15.299 5.229 -3.476 1.00 0.00 C ATOM 0 H LEU A 13 14.676 2.662 -6.650 1.00 0.00 H new ATOM 0 HA LEU A 13 16.555 4.625 -5.781 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.608 1.966 -4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 13 16.804 2.954 -3.840 1.00 0.00 H new ATOM 0 HG LEU A 13 14.010 3.916 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.414 3.732 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.786 2.154 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.980 2.949 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.486 5.788 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 13 16.131 5.150 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.629 5.749 -4.375 1.00 0.00 H new ATOM 202 N LEU A 14 17.783 1.793 -6.942 1.00 0.00 N ATOM 203 CA LEU A 14 19.003 1.161 -7.489 1.00 0.00 C ATOM 204 C LEU A 14 19.664 2.078 -8.537 1.00 0.00 C ATOM 205 O LEU A 14 20.825 2.454 -8.394 1.00 0.00 O ATOM 206 CB LEU A 14 18.671 -0.227 -8.116 1.00 0.00 C ATOM 207 CG LEU A 14 19.875 -1.032 -8.721 1.00 0.00 C ATOM 208 CD1 LEU A 14 21.011 -1.249 -7.697 1.00 0.00 C ATOM 209 CD2 LEU A 14 19.403 -2.385 -9.302 1.00 0.00 C ATOM 0 H LEU A 14 16.936 1.245 -7.091 1.00 0.00 H new ATOM 0 HA LEU A 14 19.705 1.009 -6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.200 -0.843 -7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.932 -0.077 -8.903 1.00 0.00 H new ATOM 0 HG LEU A 14 20.281 -0.426 -9.531 1.00 0.00 H new ATOM 0 HD11 LEU A 14 21.820 -1.811 -8.164 1.00 0.00 H new ATOM 0 HD12 LEU A 14 21.387 -0.283 -7.361 1.00 0.00 H new ATOM 0 HD13 LEU A 14 20.629 -1.807 -6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.257 -2.922 -9.714 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.947 -2.981 -8.512 1.00 0.00 H new ATOM 0 HD23 LEU A 14 18.671 -2.207 -10.090 1.00 0.00 H new ATOM 221 N GLU A 15 18.868 2.479 -9.542 1.00 0.00 N ATOM 222 CA GLU A 15 19.346 3.258 -10.701 1.00 0.00 C ATOM 223 C GLU A 15 19.823 4.666 -10.255 1.00 0.00 C ATOM 224 O GLU A 15 20.982 5.028 -10.454 1.00 0.00 O ATOM 225 CB GLU A 15 18.195 3.327 -11.765 1.00 0.00 C ATOM 226 CG GLU A 15 18.588 3.772 -13.199 1.00 0.00 C ATOM 227 CD GLU A 15 18.941 5.265 -13.340 1.00 0.00 C ATOM 228 OE1 GLU A 15 18.018 6.107 -13.270 1.00 0.00 O ATOM 229 OE2 GLU A 15 20.131 5.604 -13.515 1.00 0.00 O ATOM 0 H GLU A 15 17.870 2.272 -9.575 1.00 0.00 H new ATOM 0 HA GLU A 15 20.209 2.771 -11.155 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.734 2.341 -11.830 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.432 4.012 -11.395 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.442 3.179 -13.527 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.763 3.543 -13.874 1.00 0.00 H new ATOM 236 N HIS A 16 18.916 5.414 -9.615 1.00 0.00 N ATOM 237 CA HIS A 16 19.130 6.831 -9.231 1.00 0.00 C ATOM 238 C HIS A 16 20.015 6.989 -7.962 1.00 0.00 C ATOM 239 O HIS A 16 20.473 8.096 -7.665 1.00 0.00 O ATOM 240 CB HIS A 16 17.768 7.545 -9.005 1.00 0.00 C ATOM 241 CG HIS A 16 16.855 7.591 -10.210 1.00 0.00 C ATOM 242 ND1 HIS A 16 16.833 8.642 -11.104 1.00 0.00 N ATOM 243 CD2 HIS A 16 15.882 6.741 -10.627 1.00 0.00 C ATOM 244 CE1 HIS A 16 15.894 8.434 -12.002 1.00 0.00 C ATOM 245 NE2 HIS A 16 15.306 7.289 -11.737 1.00 0.00 N ATOM 0 H HIS A 16 18.000 5.057 -9.342 1.00 0.00 H new ATOM 0 HA HIS A 16 19.663 7.296 -10.060 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.244 7.043 -8.192 1.00 0.00 H new ATOM 0 HB3 HIS A 16 17.962 8.566 -8.677 1.00 0.00 H new ATOM 0 HD2 HIS A 16 15.613 5.803 -10.165 1.00 0.00 H new ATOM 0 HE1 HIS A 16 15.648 9.094 -12.820 1.00 0.00 H new ATOM 0 HE2 HIS A 16 14.543 6.877 -12.274 1.00 0.00 H new ATOM 254 N GLY A 17 20.212 5.888 -7.204 1.00 0.00 N ATOM 255 CA GLY A 17 21.071 5.886 -6.004 1.00 0.00 C ATOM 256 C GLY A 17 20.495 6.705 -4.837 1.00 0.00 C ATOM 257 O GLY A 17 21.143 7.643 -4.359 1.00 0.00 O ATOM 0 H GLY A 17 19.784 4.985 -7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 17 21.222 4.857 -5.676 1.00 0.00 H new ATOM 0 HA3 GLY A 17 22.051 6.283 -6.268 1.00 0.00 H new ATOM 261 N ARG A 18 19.255 6.360 -4.412 1.00 0.00 N ATOM 262 CA ARG A 18 18.521 7.036 -3.292 1.00 0.00 C ATOM 263 C ARG A 18 18.280 8.551 -3.533 1.00 0.00 C ATOM 264 O ARG A 18 18.068 9.306 -2.570 1.00 0.00 O ATOM 265 CB ARG A 18 19.223 6.803 -1.906 1.00 0.00 C ATOM 266 CG ARG A 18 18.982 5.420 -1.259 1.00 0.00 C ATOM 267 CD ARG A 18 19.680 5.281 0.113 1.00 0.00 C ATOM 268 NE ARG A 18 19.464 3.940 0.718 1.00 0.00 N ATOM 269 CZ ARG A 18 20.438 3.105 1.134 1.00 0.00 C ATOM 270 NH1 ARG A 18 21.721 3.409 0.954 1.00 0.00 N ATOM 271 NH2 ARG A 18 20.120 1.949 1.689 1.00 0.00 N ATOM 0 H ARG A 18 18.724 5.599 -4.835 1.00 0.00 H new ATOM 0 HA ARG A 18 17.539 6.563 -3.267 1.00 0.00 H new ATOM 0 HB2 ARG A 18 20.296 6.942 -2.035 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.883 7.573 -1.213 1.00 0.00 H new ATOM 0 HG2 ARG A 18 17.911 5.261 -1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 18 19.345 4.640 -1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 18 20.749 5.457 -0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 18 19.304 6.048 0.790 1.00 0.00 H new ATOM 0 HE ARG A 18 18.500 3.626 0.827 1.00 0.00 H new ATOM 0 HH11 ARG A 18 21.979 4.283 0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 18 22.447 2.768 1.274 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.140 1.690 1.802 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.855 1.316 2.005 1.00 0.00 H new ATOM 285 N ASN A 19 18.286 8.993 -4.803 1.00 0.00 N ATOM 286 CA ASN A 19 17.999 10.400 -5.151 1.00 0.00 C ATOM 287 C ASN A 19 16.477 10.640 -5.019 1.00 0.00 C ATOM 288 O ASN A 19 15.744 10.479 -5.994 1.00 0.00 O ATOM 289 CB ASN A 19 18.504 10.728 -6.586 1.00 0.00 C ATOM 290 CG ASN A 19 18.457 12.224 -6.922 1.00 0.00 C ATOM 291 OD1 ASN A 19 17.437 12.738 -7.374 1.00 0.00 O ATOM 292 ND2 ASN A 19 19.556 12.934 -6.687 1.00 0.00 N ATOM 0 H ASN A 19 18.486 8.398 -5.607 1.00 0.00 H new ATOM 0 HA ASN A 19 18.527 11.066 -4.468 1.00 0.00 H new ATOM 0 HB2 ASN A 19 19.528 10.371 -6.693 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.899 10.182 -7.310 1.00 0.00 H new ATOM 0 HD21 ASN A 19 19.568 13.935 -6.882 1.00 0.00 H new ATOM 0 HD22 ASN A 19 20.387 12.478 -6.311 1.00 0.00 H new ATOM 299 N TRP A 20 16.019 10.982 -3.789 1.00 0.00 N ATOM 300 CA TRP A 20 14.570 11.083 -3.438 1.00 0.00 C ATOM 301 C TRP A 20 13.828 12.107 -4.316 1.00 0.00 C ATOM 302 O TRP A 20 12.617 12.009 -4.501 1.00 0.00 O ATOM 303 CB TRP A 20 14.378 11.456 -1.941 1.00 0.00 C ATOM 304 CG TRP A 20 15.231 10.645 -0.983 1.00 0.00 C ATOM 305 CD1 TRP A 20 16.287 11.100 -0.236 1.00 0.00 C ATOM 306 CD2 TRP A 20 15.118 9.242 -0.688 1.00 0.00 C ATOM 307 NE1 TRP A 20 16.823 10.079 0.495 1.00 0.00 N ATOM 308 CE2 TRP A 20 16.135 8.929 0.232 1.00 0.00 C ATOM 309 CE3 TRP A 20 14.268 8.218 -1.117 1.00 0.00 C ATOM 310 CZ2 TRP A 20 16.324 7.648 0.735 1.00 0.00 C ATOM 311 CZ3 TRP A 20 14.455 6.944 -0.612 1.00 0.00 C ATOM 312 CH2 TRP A 20 15.480 6.671 0.297 1.00 0.00 C ATOM 0 H TRP A 20 16.640 11.197 -3.009 1.00 0.00 H new ATOM 0 HA TRP A 20 14.142 10.098 -3.623 1.00 0.00 H new ATOM 0 HB2 TRP A 20 14.609 12.513 -1.809 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.329 11.323 -1.677 1.00 0.00 H new ATOM 0 HD1 TRP A 20 16.643 12.119 -0.227 1.00 0.00 H new ATOM 0 HE1 TRP A 20 17.612 10.162 1.136 1.00 0.00 H new ATOM 0 HE3 TRP A 20 13.481 8.418 -1.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 17.109 7.434 1.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.797 6.147 -0.926 1.00 0.00 H new ATOM 0 HH2 TRP A 20 15.607 5.662 0.661 1.00 0.00 H new ATOM 323 N SER A 21 14.582 13.096 -4.818 1.00 0.00 N ATOM 324 CA SER A 21 14.098 14.096 -5.785 1.00 0.00 C ATOM 325 C SER A 21 13.600 13.408 -7.073 1.00 0.00 C ATOM 326 O SER A 21 12.494 13.683 -7.567 1.00 0.00 O ATOM 327 CB SER A 21 15.246 15.085 -6.094 1.00 0.00 C ATOM 328 OG SER A 21 14.872 16.068 -7.044 1.00 0.00 O ATOM 0 H SER A 21 15.560 13.227 -4.561 1.00 0.00 H new ATOM 0 HA SER A 21 13.256 14.642 -5.360 1.00 0.00 H new ATOM 0 HB2 SER A 21 15.558 15.575 -5.172 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.108 14.532 -6.468 1.00 0.00 H new ATOM 0 HG SER A 21 15.628 16.671 -7.206 1.00 0.00 H new ATOM 334 N ALA A 22 14.427 12.484 -7.577 1.00 0.00 N ATOM 335 CA ALA A 22 14.145 11.728 -8.807 1.00 0.00 C ATOM 336 C ALA A 22 13.064 10.653 -8.581 1.00 0.00 C ATOM 337 O ALA A 22 12.214 10.439 -9.444 1.00 0.00 O ATOM 338 CB ALA A 22 15.436 11.088 -9.329 1.00 0.00 C ATOM 0 H ALA A 22 15.316 12.237 -7.142 1.00 0.00 H new ATOM 0 HA ALA A 22 13.759 12.425 -9.551 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.222 10.529 -10.240 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.167 11.867 -9.544 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.838 10.412 -8.574 1.00 0.00 H new ATOM 344 N ILE A 23 13.103 9.990 -7.406 1.00 0.00 N ATOM 345 CA ILE A 23 12.214 8.836 -7.103 1.00 0.00 C ATOM 346 C ILE A 23 10.775 9.310 -6.869 1.00 0.00 C ATOM 347 O ILE A 23 9.825 8.698 -7.357 1.00 0.00 O ATOM 348 CB ILE A 23 12.686 8.002 -5.848 1.00 0.00 C ATOM 349 CG1 ILE A 23 14.214 7.729 -5.896 1.00 0.00 C ATOM 350 CG2 ILE A 23 11.897 6.662 -5.732 1.00 0.00 C ATOM 351 CD1 ILE A 23 14.697 7.033 -7.146 1.00 0.00 C ATOM 0 H ILE A 23 13.740 10.231 -6.647 1.00 0.00 H new ATOM 0 HA ILE A 23 12.264 8.184 -7.975 1.00 0.00 H new ATOM 0 HB ILE A 23 12.475 8.600 -4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 23 14.741 8.678 -5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.487 7.123 -5.032 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.244 6.110 -4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.833 6.874 -5.628 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.062 6.064 -6.628 1.00 0.00 H new ATOM 0 HD11 ILE A 23 15.775 6.886 -7.087 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.204 6.065 -7.237 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.461 7.644 -8.017 1.00 0.00 H new ATOM 363 N ALA A 24 10.639 10.422 -6.126 1.00 0.00 N ATOM 364 CA ALA A 24 9.331 11.039 -5.831 1.00 0.00 C ATOM 365 C ALA A 24 8.619 11.460 -7.128 1.00 0.00 C ATOM 366 O ALA A 24 7.409 11.325 -7.248 1.00 0.00 O ATOM 367 CB ALA A 24 9.502 12.237 -4.893 1.00 0.00 C ATOM 0 H ALA A 24 11.429 10.918 -5.714 1.00 0.00 H new ATOM 0 HA ALA A 24 8.709 10.297 -5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.527 12.679 -4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.956 11.906 -3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.145 12.980 -5.365 1.00 0.00 H new ATOM 373 N ARG A 25 9.404 11.947 -8.101 1.00 0.00 N ATOM 374 CA ARG A 25 8.912 12.293 -9.446 1.00 0.00 C ATOM 375 C ARG A 25 8.613 11.013 -10.272 1.00 0.00 C ATOM 376 O ARG A 25 7.614 10.959 -10.994 1.00 0.00 O ATOM 377 CB ARG A 25 9.959 13.190 -10.177 1.00 0.00 C ATOM 378 CG ARG A 25 9.634 13.510 -11.657 1.00 0.00 C ATOM 379 CD ARG A 25 10.683 14.427 -12.317 1.00 0.00 C ATOM 380 NE ARG A 25 10.452 14.578 -13.775 1.00 0.00 N ATOM 381 CZ ARG A 25 9.997 15.687 -14.394 1.00 0.00 C ATOM 382 NH1 ARG A 25 9.648 16.769 -13.694 1.00 0.00 N ATOM 383 NH2 ARG A 25 9.873 15.696 -15.715 1.00 0.00 N ATOM 0 H ARG A 25 10.403 12.113 -7.978 1.00 0.00 H new ATOM 0 HA ARG A 25 7.980 12.849 -9.345 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.054 14.129 -9.631 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.930 12.697 -10.133 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.568 12.578 -12.219 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.655 13.986 -11.714 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.657 15.408 -11.842 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.679 14.018 -12.148 1.00 0.00 H new ATOM 0 HE ARG A 25 10.656 13.770 -14.363 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.724 16.765 -12.677 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.306 17.600 -14.176 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.121 14.868 -16.256 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.530 16.531 -16.189 1.00 0.00 H new ATOM 397 N MET A 26 9.475 9.988 -10.122 1.00 0.00 N ATOM 398 CA MET A 26 9.428 8.756 -10.944 1.00 0.00 C ATOM 399 C MET A 26 8.173 7.916 -10.636 1.00 0.00 C ATOM 400 O MET A 26 7.327 7.705 -11.513 1.00 0.00 O ATOM 401 CB MET A 26 10.718 7.918 -10.690 1.00 0.00 C ATOM 402 CG MET A 26 10.799 6.578 -11.436 1.00 0.00 C ATOM 403 SD MET A 26 12.356 5.705 -11.134 1.00 0.00 S ATOM 404 CE MET A 26 12.075 4.155 -12.000 1.00 0.00 C ATOM 0 H MET A 26 10.224 9.988 -9.429 1.00 0.00 H new ATOM 0 HA MET A 26 9.377 9.043 -11.994 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.582 8.521 -10.969 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.798 7.723 -9.621 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.966 5.945 -11.129 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.688 6.755 -12.506 1.00 0.00 H new ATOM 0 HE1 MET A 26 12.819 3.423 -11.686 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.078 3.783 -11.765 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.157 4.318 -13.075 1.00 0.00 H new ATOM 414 N VAL A 27 8.058 7.462 -9.377 1.00 0.00 N ATOM 415 CA VAL A 27 6.965 6.575 -8.935 1.00 0.00 C ATOM 416 C VAL A 27 5.727 7.375 -8.490 1.00 0.00 C ATOM 417 O VAL A 27 4.589 7.017 -8.820 1.00 0.00 O ATOM 418 CB VAL A 27 7.448 5.581 -7.802 1.00 0.00 C ATOM 419 CG1 VAL A 27 8.668 4.771 -8.292 1.00 0.00 C ATOM 420 CG2 VAL A 27 7.787 6.291 -6.464 1.00 0.00 C ATOM 0 H VAL A 27 8.718 7.698 -8.636 1.00 0.00 H new ATOM 0 HA VAL A 27 6.670 5.974 -9.795 1.00 0.00 H new ATOM 0 HB VAL A 27 6.611 4.913 -7.598 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.993 4.090 -7.505 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.392 4.198 -9.177 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.481 5.453 -8.540 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.111 5.552 -5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.586 7.014 -6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.902 6.807 -6.091 1.00 0.00 H new ATOM 430 N GLY A 28 5.979 8.460 -7.734 1.00 0.00 N ATOM 431 CA GLY A 28 4.927 9.263 -7.124 1.00 0.00 C ATOM 432 C GLY A 28 4.319 10.302 -8.058 1.00 0.00 C ATOM 433 O GLY A 28 3.097 10.499 -8.060 1.00 0.00 O ATOM 0 H GLY A 28 6.921 8.797 -7.535 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.137 8.600 -6.771 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.333 9.770 -6.248 1.00 0.00 H new ATOM 437 N SER A 29 5.204 10.961 -8.848 1.00 0.00 N ATOM 438 CA SER A 29 4.920 12.242 -9.541 1.00 0.00 C ATOM 439 C SER A 29 4.539 13.328 -8.490 1.00 0.00 C ATOM 440 O SER A 29 3.814 14.286 -8.777 1.00 0.00 O ATOM 441 CB SER A 29 3.825 12.063 -10.633 1.00 0.00 C ATOM 442 OG SER A 29 3.660 13.240 -11.418 1.00 0.00 O ATOM 0 H SER A 29 6.147 10.613 -9.023 1.00 0.00 H new ATOM 0 HA SER A 29 5.817 12.576 -10.063 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.092 11.229 -11.282 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.878 11.807 -10.159 1.00 0.00 H new ATOM 0 HG SER A 29 3.552 14.015 -10.827 1.00 0.00 H new ATOM 448 N LYS A 30 5.112 13.178 -7.277 1.00 0.00 N ATOM 449 CA LYS A 30 4.707 13.902 -6.056 1.00 0.00 C ATOM 450 C LYS A 30 5.950 14.545 -5.380 1.00 0.00 C ATOM 451 O LYS A 30 7.079 14.341 -5.829 1.00 0.00 O ATOM 452 CB LYS A 30 3.977 12.878 -5.116 1.00 0.00 C ATOM 453 CG LYS A 30 3.331 13.448 -3.826 1.00 0.00 C ATOM 454 CD LYS A 30 2.302 14.561 -4.110 1.00 0.00 C ATOM 455 CE LYS A 30 1.744 15.200 -2.827 1.00 0.00 C ATOM 456 NZ LYS A 30 0.819 16.326 -3.109 1.00 0.00 N ATOM 0 H LYS A 30 5.887 12.535 -7.117 1.00 0.00 H new ATOM 0 HA LYS A 30 4.024 14.719 -6.288 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.198 12.382 -5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.696 12.112 -4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.843 12.639 -3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.114 13.841 -3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.769 15.333 -4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.478 14.148 -4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.221 14.441 -2.245 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.571 15.558 -2.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.471 16.722 -2.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.323 17.064 -3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.014 15.982 -3.671 1.00 0.00 H new ATOM 470 N THR A 31 5.692 15.359 -4.342 1.00 0.00 N ATOM 471 CA THR A 31 6.699 16.038 -3.497 1.00 0.00 C ATOM 472 C THR A 31 7.864 15.108 -3.054 1.00 0.00 C ATOM 473 O THR A 31 7.638 13.936 -2.727 1.00 0.00 O ATOM 474 CB THR A 31 5.973 16.603 -2.225 1.00 0.00 C ATOM 475 OG1 THR A 31 4.764 17.270 -2.625 1.00 0.00 O ATOM 476 CG2 THR A 31 6.847 17.583 -1.412 1.00 0.00 C ATOM 0 H THR A 31 4.737 15.573 -4.054 1.00 0.00 H new ATOM 0 HA THR A 31 7.148 16.832 -4.094 1.00 0.00 H new ATOM 0 HB THR A 31 5.757 15.753 -1.578 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.307 17.622 -1.833 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.287 17.937 -0.546 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.750 17.073 -1.076 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.121 18.432 -2.039 1.00 0.00 H new ATOM 484 N VAL A 32 9.097 15.670 -3.015 1.00 0.00 N ATOM 485 CA VAL A 32 10.330 14.947 -2.584 1.00 0.00 C ATOM 486 C VAL A 32 10.161 14.352 -1.171 1.00 0.00 C ATOM 487 O VAL A 32 10.614 13.230 -0.894 1.00 0.00 O ATOM 488 CB VAL A 32 11.586 15.896 -2.610 1.00 0.00 C ATOM 489 CG1 VAL A 32 12.881 15.176 -2.148 1.00 0.00 C ATOM 490 CG2 VAL A 32 11.775 16.524 -4.009 1.00 0.00 C ATOM 0 H VAL A 32 9.270 16.639 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 32 10.490 14.134 -3.292 1.00 0.00 H new ATOM 0 HB VAL A 32 11.394 16.695 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.718 15.874 -2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.753 14.816 -1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.083 14.332 -2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.649 17.175 -4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.918 15.734 -4.746 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.891 17.107 -4.269 1.00 0.00 H new ATOM 500 N SER A 33 9.459 15.122 -0.315 1.00 0.00 N ATOM 501 CA SER A 33 9.149 14.757 1.075 1.00 0.00 C ATOM 502 C SER A 33 8.448 13.380 1.177 1.00 0.00 C ATOM 503 O SER A 33 8.711 12.636 2.110 1.00 0.00 O ATOM 504 CB SER A 33 8.256 15.852 1.697 1.00 0.00 C ATOM 505 OG SER A 33 8.830 17.142 1.519 1.00 0.00 O ATOM 0 H SER A 33 9.086 16.033 -0.580 1.00 0.00 H new ATOM 0 HA SER A 33 10.089 14.679 1.621 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.268 15.824 1.238 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.120 15.654 2.760 1.00 0.00 H new ATOM 0 HG SER A 33 8.245 17.818 1.920 1.00 0.00 H new ATOM 511 N GLN A 34 7.592 13.043 0.190 1.00 0.00 N ATOM 512 CA GLN A 34 6.808 11.782 0.195 1.00 0.00 C ATOM 513 C GLN A 34 7.721 10.534 0.145 1.00 0.00 C ATOM 514 O GLN A 34 7.632 9.664 1.016 1.00 0.00 O ATOM 515 CB GLN A 34 5.792 11.767 -0.992 1.00 0.00 C ATOM 516 CG GLN A 34 5.061 10.418 -1.222 1.00 0.00 C ATOM 517 CD GLN A 34 4.268 9.902 -0.010 1.00 0.00 C ATOM 518 OE1 GLN A 34 3.749 10.682 0.787 1.00 0.00 O ATOM 519 NE2 GLN A 34 4.174 8.583 0.136 1.00 0.00 N ATOM 0 H GLN A 34 7.423 13.629 -0.628 1.00 0.00 H new ATOM 0 HA GLN A 34 6.256 11.743 1.134 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.045 12.541 -0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.322 12.034 -1.906 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.379 10.529 -2.065 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.797 9.665 -1.505 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.616 7.962 -0.542 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.660 8.193 0.926 1.00 0.00 H new ATOM 528 N CYS A 35 8.610 10.477 -0.862 1.00 0.00 N ATOM 529 CA CYS A 35 9.500 9.311 -1.077 1.00 0.00 C ATOM 530 C CYS A 35 10.595 9.243 -0.002 1.00 0.00 C ATOM 531 O CYS A 35 11.032 8.154 0.402 1.00 0.00 O ATOM 532 CB CYS A 35 10.149 9.367 -2.470 1.00 0.00 C ATOM 533 SG CYS A 35 11.280 8.002 -2.794 1.00 0.00 S ATOM 0 H CYS A 35 8.735 11.225 -1.544 1.00 0.00 H new ATOM 0 HA CYS A 35 8.884 8.414 -1.007 1.00 0.00 H new ATOM 0 HB2 CYS A 35 9.365 9.366 -3.227 1.00 0.00 H new ATOM 0 HB3 CYS A 35 10.690 10.308 -2.572 1.00 0.00 H new ATOM 0 HG CYS A 35 11.796 7.591 -1.674 1.00 0.00 H new ATOM 539 N LYS A 36 11.020 10.425 0.456 1.00 0.00 N ATOM 540 CA LYS A 36 12.057 10.575 1.484 1.00 0.00 C ATOM 541 C LYS A 36 11.545 10.048 2.843 1.00 0.00 C ATOM 542 O LYS A 36 12.229 9.275 3.521 1.00 0.00 O ATOM 543 CB LYS A 36 12.454 12.066 1.577 1.00 0.00 C ATOM 544 CG LYS A 36 13.585 12.390 2.575 1.00 0.00 C ATOM 545 CD LYS A 36 13.846 13.911 2.691 1.00 0.00 C ATOM 546 CE LYS A 36 12.607 14.694 3.170 1.00 0.00 C ATOM 547 NZ LYS A 36 12.193 14.314 4.543 1.00 0.00 N ATOM 0 H LYS A 36 10.650 11.314 0.120 1.00 0.00 H new ATOM 0 HA LYS A 36 12.936 9.989 1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 36 12.758 12.406 0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.572 12.643 1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.326 11.992 3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.500 11.889 2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.669 14.082 3.385 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.161 14.296 1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.822 15.762 3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.780 14.517 2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.969 15.171 5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.352 13.704 4.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.967 13.800 5.009 1.00 0.00 H new ATOM 561 N ASN A 37 10.315 10.452 3.211 1.00 0.00 N ATOM 562 CA ASN A 37 9.679 10.025 4.476 1.00 0.00 C ATOM 563 C ASN A 37 9.202 8.567 4.380 1.00 0.00 C ATOM 564 O ASN A 37 9.100 7.882 5.396 1.00 0.00 O ATOM 565 CB ASN A 37 8.492 10.948 4.869 1.00 0.00 C ATOM 566 CG ASN A 37 8.898 12.401 5.127 1.00 0.00 C ATOM 567 OD1 ASN A 37 10.050 12.702 5.455 1.00 0.00 O ATOM 568 ND2 ASN A 37 7.948 13.311 4.992 1.00 0.00 N ATOM 0 H ASN A 37 9.738 11.077 2.648 1.00 0.00 H new ATOM 0 HA ASN A 37 10.435 10.102 5.257 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.747 10.925 4.074 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.015 10.549 5.764 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.157 14.295 5.160 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.006 13.029 4.720 1.00 0.00 H new ATOM 575 N PHE A 38 8.937 8.098 3.136 1.00 0.00 N ATOM 576 CA PHE A 38 8.535 6.697 2.858 1.00 0.00 C ATOM 577 C PHE A 38 9.620 5.702 3.321 1.00 0.00 C ATOM 578 O PHE A 38 9.322 4.546 3.589 1.00 0.00 O ATOM 579 CB PHE A 38 8.203 6.471 1.351 1.00 0.00 C ATOM 580 CG PHE A 38 7.855 5.014 1.017 1.00 0.00 C ATOM 581 CD1 PHE A 38 6.793 4.368 1.659 1.00 0.00 C ATOM 582 CD2 PHE A 38 8.622 4.277 0.112 1.00 0.00 C ATOM 583 CE1 PHE A 38 6.517 3.040 1.409 1.00 0.00 C ATOM 584 CE2 PHE A 38 8.333 2.950 -0.144 1.00 0.00 C ATOM 585 CZ PHE A 38 7.283 2.334 0.507 1.00 0.00 C ATOM 0 H PHE A 38 8.996 8.678 2.299 1.00 0.00 H new ATOM 0 HA PHE A 38 7.626 6.512 3.430 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.366 7.110 1.071 1.00 0.00 H new ATOM 0 HB3 PHE A 38 9.056 6.781 0.748 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.181 4.917 2.360 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.451 4.750 -0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.700 2.553 1.921 1.00 0.00 H new ATOM 0 HE2 PHE A 38 8.929 2.395 -0.853 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.061 1.296 0.309 1.00 0.00 H new ATOM 595 N TYR A 39 10.877 6.151 3.406 1.00 0.00 N ATOM 596 CA TYR A 39 11.986 5.291 3.870 1.00 0.00 C ATOM 597 C TYR A 39 11.798 4.844 5.353 1.00 0.00 C ATOM 598 O TYR A 39 12.460 3.920 5.820 1.00 0.00 O ATOM 599 CB TYR A 39 13.349 6.002 3.664 1.00 0.00 C ATOM 600 CG TYR A 39 14.496 5.024 3.422 1.00 0.00 C ATOM 601 CD1 TYR A 39 14.424 4.139 2.349 1.00 0.00 C ATOM 602 CD2 TYR A 39 15.627 4.973 4.232 1.00 0.00 C ATOM 603 CE1 TYR A 39 15.430 3.245 2.098 1.00 0.00 C ATOM 604 CE2 TYR A 39 16.643 4.070 3.977 1.00 0.00 C ATOM 605 CZ TYR A 39 16.537 3.211 2.908 1.00 0.00 C ATOM 606 OH TYR A 39 17.544 2.310 2.649 1.00 0.00 O ATOM 0 H TYR A 39 11.157 7.101 3.162 1.00 0.00 H new ATOM 0 HA TYR A 39 11.976 4.385 3.264 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.274 6.683 2.817 1.00 0.00 H new ATOM 0 HB3 TYR A 39 13.574 6.608 4.542 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.559 4.158 1.703 1.00 0.00 H new ATOM 0 HD2 TYR A 39 15.712 5.648 5.071 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.352 2.566 1.262 1.00 0.00 H new ATOM 0 HE2 TYR A 39 17.515 4.039 4.614 1.00 0.00 H new ATOM 0 HH TYR A 39 17.769 1.826 3.471 1.00 0.00 H new ATOM 616 N PHE A 40 10.906 5.545 6.072 1.00 0.00 N ATOM 617 CA PHE A 40 10.538 5.254 7.476 1.00 0.00 C ATOM 618 C PHE A 40 9.154 4.540 7.545 1.00 0.00 C ATOM 619 O PHE A 40 8.606 4.323 8.633 1.00 0.00 O ATOM 620 CB PHE A 40 10.515 6.591 8.268 1.00 0.00 C ATOM 621 CG PHE A 40 11.831 7.373 8.212 1.00 0.00 C ATOM 622 CD1 PHE A 40 12.153 8.151 7.099 1.00 0.00 C ATOM 623 CD2 PHE A 40 12.752 7.312 9.257 1.00 0.00 C ATOM 624 CE1 PHE A 40 13.342 8.846 7.040 1.00 0.00 C ATOM 625 CE2 PHE A 40 13.943 8.011 9.195 1.00 0.00 C ATOM 626 CZ PHE A 40 14.238 8.772 8.086 1.00 0.00 C ATOM 0 H PHE A 40 10.407 6.348 5.689 1.00 0.00 H new ATOM 0 HA PHE A 40 11.272 4.581 7.919 1.00 0.00 H new ATOM 0 HB2 PHE A 40 9.715 7.219 7.877 1.00 0.00 H new ATOM 0 HB3 PHE A 40 10.274 6.380 9.310 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.461 8.209 6.272 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.532 6.711 10.127 1.00 0.00 H new ATOM 0 HE1 PHE A 40 13.572 9.449 6.174 1.00 0.00 H new ATOM 0 HE2 PHE A 40 14.642 7.960 10.017 1.00 0.00 H new ATOM 0 HZ PHE A 40 15.172 9.312 8.035 1.00 0.00 H new ATOM 770 N LEU A 48 16.024 -3.883 0.718 1.00 0.00 N ATOM 771 CA LEU A 48 16.143 -2.597 -0.011 1.00 0.00 C ATOM 772 C LEU A 48 17.565 -2.039 0.165 1.00 0.00 C ATOM 773 O LEU A 48 18.163 -1.530 -0.786 1.00 0.00 O ATOM 774 CB LEU A 48 15.054 -1.582 0.472 1.00 0.00 C ATOM 775 CG LEU A 48 14.762 -0.328 -0.434 1.00 0.00 C ATOM 776 CD1 LEU A 48 15.887 0.727 -0.392 1.00 0.00 C ATOM 777 CD2 LEU A 48 14.455 -0.750 -1.886 1.00 0.00 C ATOM 0 HA LEU A 48 15.970 -2.765 -1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.119 -2.129 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 48 15.347 -1.221 1.458 1.00 0.00 H new ATOM 0 HG LEU A 48 13.876 0.150 -0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.624 1.565 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.015 1.082 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 48 16.818 0.280 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.257 0.137 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.310 -1.285 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.580 -1.400 -1.899 1.00 0.00 H new ATOM 789 N ASP A 49 18.089 -2.140 1.396 1.00 0.00 N ATOM 790 CA ASP A 49 19.380 -1.520 1.771 1.00 0.00 C ATOM 791 C ASP A 49 20.549 -2.177 1.016 1.00 0.00 C ATOM 792 O ASP A 49 21.482 -1.485 0.583 1.00 0.00 O ATOM 793 CB ASP A 49 19.603 -1.615 3.300 1.00 0.00 C ATOM 794 CG ASP A 49 20.967 -1.050 3.764 1.00 0.00 C ATOM 795 OD1 ASP A 49 21.114 0.190 3.843 1.00 0.00 O ATOM 796 OD2 ASP A 49 21.894 -1.840 4.057 1.00 0.00 O ATOM 0 H ASP A 49 17.639 -2.648 2.157 1.00 0.00 H new ATOM 0 HA ASP A 49 19.343 -0.468 1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 49 18.804 -1.076 3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 49 19.529 -2.659 3.605 1.00 0.00 H new ATOM 801 N GLU A 50 20.464 -3.513 0.846 1.00 0.00 N ATOM 802 CA GLU A 50 21.486 -4.313 0.144 1.00 0.00 C ATOM 803 C GLU A 50 21.603 -3.864 -1.322 1.00 0.00 C ATOM 804 O GLU A 50 22.692 -3.782 -1.851 1.00 0.00 O ATOM 805 CB GLU A 50 21.171 -5.838 0.237 1.00 0.00 C ATOM 806 CG GLU A 50 19.842 -6.279 -0.416 1.00 0.00 C ATOM 807 CD GLU A 50 19.542 -7.781 -0.256 1.00 0.00 C ATOM 808 OE1 GLU A 50 19.073 -8.197 0.825 1.00 0.00 O ATOM 809 OE2 GLU A 50 19.775 -8.560 -1.208 1.00 0.00 O ATOM 0 H GLU A 50 19.682 -4.068 1.193 1.00 0.00 H new ATOM 0 HA GLU A 50 22.445 -4.145 0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 50 21.987 -6.390 -0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 50 21.153 -6.125 1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.025 -5.706 0.022 1.00 0.00 H new ATOM 0 HG3 GLU A 50 19.870 -6.034 -1.478 1.00 0.00 H new ATOM 816 N ILE A 51 20.457 -3.514 -1.926 1.00 0.00 N ATOM 817 CA ILE A 51 20.364 -3.049 -3.327 1.00 0.00 C ATOM 818 C ILE A 51 21.300 -1.849 -3.584 1.00 0.00 C ATOM 819 O ILE A 51 22.060 -1.826 -4.560 1.00 0.00 O ATOM 820 CB ILE A 51 18.873 -2.654 -3.647 1.00 0.00 C ATOM 821 CG1 ILE A 51 17.949 -3.896 -3.547 1.00 0.00 C ATOM 822 CG2 ILE A 51 18.705 -1.959 -5.011 1.00 0.00 C ATOM 823 CD1 ILE A 51 16.470 -3.599 -3.694 1.00 0.00 C ATOM 0 H ILE A 51 19.554 -3.545 -1.452 1.00 0.00 H new ATOM 0 HA ILE A 51 20.679 -3.860 -3.983 1.00 0.00 H new ATOM 0 HB ILE A 51 18.578 -1.923 -2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 51 18.240 -4.611 -4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.115 -4.379 -2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 51 17.654 -1.714 -5.168 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.297 -1.044 -5.029 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.044 -2.626 -5.803 1.00 0.00 H new ATOM 0 HD11 ILE A 51 15.903 -4.526 -3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 51 16.157 -2.910 -2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 51 16.285 -3.147 -4.668 1.00 0.00 H new ATOM 835 N LEU A 52 21.255 -0.892 -2.658 1.00 0.00 N ATOM 836 CA LEU A 52 22.039 0.349 -2.730 1.00 0.00 C ATOM 837 C LEU A 52 23.503 0.117 -2.336 1.00 0.00 C ATOM 838 O LEU A 52 24.405 0.760 -2.885 1.00 0.00 O ATOM 839 CB LEU A 52 21.393 1.433 -1.834 1.00 0.00 C ATOM 840 CG LEU A 52 20.162 2.174 -2.424 1.00 0.00 C ATOM 841 CD1 LEU A 52 20.544 2.889 -3.724 1.00 0.00 C ATOM 842 CD2 LEU A 52 18.944 1.250 -2.614 1.00 0.00 C ATOM 0 H LEU A 52 20.668 -0.953 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 52 22.035 0.694 -3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 52 21.093 0.966 -0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.154 2.175 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 52 19.853 2.924 -1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 52 19.671 3.404 -4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 52 21.332 3.614 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 52 20.900 2.158 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 52 18.114 1.822 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 52 19.204 0.441 -3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 52 18.651 0.832 -1.651 1.00 0.00 H new ATOM 854 N GLN A 53 23.732 -0.811 -1.392 1.00 0.00 N ATOM 855 CA GLN A 53 25.090 -1.162 -0.934 1.00 0.00 C ATOM 856 C GLN A 53 25.875 -1.814 -2.088 1.00 0.00 C ATOM 857 O GLN A 53 27.066 -1.537 -2.281 1.00 0.00 O ATOM 858 CB GLN A 53 25.031 -2.101 0.297 1.00 0.00 C ATOM 859 CG GLN A 53 26.404 -2.415 0.927 1.00 0.00 C ATOM 860 CD GLN A 53 27.123 -1.173 1.485 1.00 0.00 C ATOM 861 OE1 GLN A 53 26.955 -0.816 2.650 1.00 0.00 O ATOM 862 NE2 GLN A 53 27.920 -0.508 0.654 1.00 0.00 N ATOM 0 H GLN A 53 22.990 -1.335 -0.928 1.00 0.00 H new ATOM 0 HA GLN A 53 25.606 -0.252 -0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 53 24.393 -1.647 1.055 1.00 0.00 H new ATOM 0 HB3 GLN A 53 24.558 -3.038 0.002 1.00 0.00 H new ATOM 0 HG2 GLN A 53 26.269 -3.138 1.731 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.039 -2.887 0.177 1.00 0.00 H new ATOM 0 HE21 GLN A 53 28.038 -0.830 -0.307 1.00 0.00 H new ATOM 0 HE22 GLN A 53 28.413 0.324 0.977 1.00 0.00 H new ATOM 871 N GLN A 54 25.164 -2.646 -2.870 1.00 0.00 N ATOM 872 CA GLN A 54 25.713 -3.302 -4.064 1.00 0.00 C ATOM 873 C GLN A 54 25.928 -2.268 -5.177 1.00 0.00 C ATOM 874 O GLN A 54 26.975 -2.270 -5.806 1.00 0.00 O ATOM 875 CB GLN A 54 24.797 -4.460 -4.554 1.00 0.00 C ATOM 876 CG GLN A 54 24.530 -5.560 -3.500 1.00 0.00 C ATOM 877 CD GLN A 54 25.733 -6.441 -3.121 1.00 0.00 C ATOM 878 OE1 GLN A 54 26.891 -6.049 -3.210 1.00 0.00 O ATOM 879 NE2 GLN A 54 25.453 -7.643 -2.641 1.00 0.00 N ATOM 0 H GLN A 54 24.188 -2.881 -2.688 1.00 0.00 H new ATOM 0 HA GLN A 54 26.674 -3.742 -3.798 1.00 0.00 H new ATOM 0 HB2 GLN A 54 23.842 -4.041 -4.872 1.00 0.00 H new ATOM 0 HB3 GLN A 54 25.252 -4.919 -5.432 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.155 -5.083 -2.594 1.00 0.00 H new ATOM 0 HG3 GLN A 54 23.735 -6.206 -3.873 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.483 -7.952 -2.574 1.00 0.00 H new ATOM 0 HE22 GLN A 54 26.207 -8.259 -2.338 1.00 0.00 H new ATOM 888 N HIS A 55 24.949 -1.344 -5.361 1.00 0.00 N ATOM 889 CA HIS A 55 25.034 -0.261 -6.379 1.00 0.00 C ATOM 890 C HIS A 55 26.333 0.539 -6.196 1.00 0.00 C ATOM 891 O HIS A 55 27.054 0.772 -7.150 1.00 0.00 O ATOM 892 CB HIS A 55 23.820 0.703 -6.293 1.00 0.00 C ATOM 893 CG HIS A 55 23.797 1.797 -7.348 1.00 0.00 C ATOM 894 ND1 HIS A 55 23.826 3.151 -7.056 1.00 0.00 N ATOM 895 CD2 HIS A 55 23.756 1.720 -8.699 1.00 0.00 C ATOM 896 CE1 HIS A 55 23.783 3.847 -8.179 1.00 0.00 C ATOM 897 NE2 HIS A 55 23.740 3.003 -9.187 1.00 0.00 N ATOM 0 H HIS A 55 24.087 -1.327 -4.815 1.00 0.00 H new ATOM 0 HA HIS A 55 25.027 -0.735 -7.361 1.00 0.00 H new ATOM 0 HB2 HIS A 55 22.904 0.119 -6.376 1.00 0.00 H new ATOM 0 HB3 HIS A 55 23.813 1.168 -5.307 1.00 0.00 H new ATOM 0 HD2 HIS A 55 23.739 0.814 -9.286 1.00 0.00 H new ATOM 0 HE1 HIS A 55 23.783 4.924 -8.256 1.00 0.00 H new ATOM 0 HE2 HIS A 55 23.701 3.261 -10.173 1.00 0.00 H new ATOM 906 N LYS A 56 26.622 0.881 -4.934 1.00 0.00 N ATOM 907 CA LYS A 56 27.808 1.667 -4.543 1.00 0.00 C ATOM 908 C LYS A 56 29.126 0.973 -4.955 1.00 0.00 C ATOM 909 O LYS A 56 29.955 1.572 -5.654 1.00 0.00 O ATOM 910 CB LYS A 56 27.777 1.916 -3.010 1.00 0.00 C ATOM 911 CG LYS A 56 28.987 2.709 -2.465 1.00 0.00 C ATOM 912 CD LYS A 56 28.888 2.991 -0.948 1.00 0.00 C ATOM 913 CE LYS A 56 30.092 3.788 -0.412 1.00 0.00 C ATOM 914 NZ LYS A 56 31.374 3.056 -0.580 1.00 0.00 N ATOM 0 H LYS A 56 26.034 0.618 -4.143 1.00 0.00 H new ATOM 0 HA LYS A 56 27.774 2.620 -5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 56 26.863 2.455 -2.761 1.00 0.00 H new ATOM 0 HB3 LYS A 56 27.729 0.954 -2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 56 29.901 2.151 -2.667 1.00 0.00 H new ATOM 0 HG3 LYS A 56 29.066 3.655 -3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 56 27.971 3.545 -0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 56 28.815 2.045 -0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 56 30.152 4.744 -0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 56 29.938 4.008 0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 32.133 3.567 -0.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 31.283 2.100 -0.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 31.604 2.987 -1.592 1.00 0.00 H new ATOM 928 N LEU A 57 29.292 -0.302 -4.539 1.00 0.00 N ATOM 929 CA LEU A 57 30.534 -1.072 -4.795 1.00 0.00 C ATOM 930 C LEU A 57 30.683 -1.433 -6.281 1.00 0.00 C ATOM 931 O LEU A 57 31.797 -1.658 -6.749 1.00 0.00 O ATOM 932 CB LEU A 57 30.649 -2.318 -3.854 1.00 0.00 C ATOM 933 CG LEU A 57 29.473 -3.364 -3.831 1.00 0.00 C ATOM 934 CD1 LEU A 57 29.479 -4.331 -5.042 1.00 0.00 C ATOM 935 CD2 LEU A 57 29.476 -4.155 -2.503 1.00 0.00 C ATOM 0 H LEU A 57 28.582 -0.822 -4.024 1.00 0.00 H new ATOM 0 HA LEU A 57 31.377 -0.425 -4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 57 31.560 -2.852 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 57 30.784 -1.951 -2.836 1.00 0.00 H new ATOM 0 HG LEU A 57 28.551 -2.787 -3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 57 28.641 -5.023 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 57 29.387 -3.759 -5.965 1.00 0.00 H new ATOM 0 HD13 LEU A 57 30.413 -4.892 -5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 57 28.656 -4.873 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 57 30.423 -4.685 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 57 29.352 -3.465 -1.668 1.00 0.00 H new ATOM 947 N LYS A 58 29.549 -1.508 -7.003 1.00 0.00 N ATOM 948 CA LYS A 58 29.539 -1.751 -8.456 1.00 0.00 C ATOM 949 C LYS A 58 30.035 -0.505 -9.215 1.00 0.00 C ATOM 950 O LYS A 58 30.926 -0.619 -10.050 1.00 0.00 O ATOM 951 CB LYS A 58 28.135 -2.163 -8.947 1.00 0.00 C ATOM 952 CG LYS A 58 27.676 -3.565 -8.486 1.00 0.00 C ATOM 953 CD LYS A 58 26.221 -3.911 -8.915 1.00 0.00 C ATOM 954 CE LYS A 58 26.074 -4.295 -10.408 1.00 0.00 C ATOM 955 NZ LYS A 58 26.515 -3.234 -11.347 1.00 0.00 N ATOM 0 H LYS A 58 28.619 -1.402 -6.597 1.00 0.00 H new ATOM 0 HA LYS A 58 30.219 -2.578 -8.661 1.00 0.00 H new ATOM 0 HB2 LYS A 58 27.412 -1.426 -8.598 1.00 0.00 H new ATOM 0 HB3 LYS A 58 28.122 -2.131 -10.036 1.00 0.00 H new ATOM 0 HG2 LYS A 58 28.355 -4.314 -8.894 1.00 0.00 H new ATOM 0 HG3 LYS A 58 27.751 -3.625 -7.400 1.00 0.00 H new ATOM 0 HD2 LYS A 58 25.860 -4.737 -8.302 1.00 0.00 H new ATOM 0 HD3 LYS A 58 25.579 -3.055 -8.707 1.00 0.00 H new ATOM 0 HE2 LYS A 58 26.652 -5.199 -10.599 1.00 0.00 H new ATOM 0 HE3 LYS A 58 25.030 -4.535 -10.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 25.989 -3.320 -12.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 26.333 -2.300 -10.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 27.533 -3.337 -11.534 1.00 0.00 H new ATOM 969 N MET A 59 29.461 0.679 -8.876 1.00 0.00 N ATOM 970 CA MET A 59 29.874 2.002 -9.441 1.00 0.00 C ATOM 971 C MET A 59 31.394 2.210 -9.264 1.00 0.00 C ATOM 972 O MET A 59 32.085 2.725 -10.155 1.00 0.00 O ATOM 973 CB MET A 59 29.118 3.172 -8.737 1.00 0.00 C ATOM 974 CG MET A 59 27.578 3.225 -8.902 1.00 0.00 C ATOM 975 SD MET A 59 26.994 3.877 -10.491 1.00 0.00 S ATOM 976 CE MET A 59 27.088 2.461 -11.582 1.00 0.00 C ATOM 0 H MET A 59 28.698 0.749 -8.203 1.00 0.00 H new ATOM 0 HA MET A 59 29.622 2.002 -10.502 1.00 0.00 H new ATOM 0 HB2 MET A 59 29.342 3.125 -7.671 1.00 0.00 H new ATOM 0 HB3 MET A 59 29.529 4.111 -9.108 1.00 0.00 H new ATOM 0 HG2 MET A 59 27.180 2.219 -8.772 1.00 0.00 H new ATOM 0 HG3 MET A 59 27.164 3.838 -8.102 1.00 0.00 H new ATOM 0 HE1 MET A 59 27.831 2.648 -12.357 1.00 0.00 H new ATOM 0 HE2 MET A 59 27.375 1.579 -11.009 1.00 0.00 H new ATOM 0 HE3 MET A 59 26.115 2.293 -12.045 1.00 0.00 H new ATOM 986 N GLU A 60 31.882 1.763 -8.096 1.00 0.00 N ATOM 987 CA GLU A 60 33.297 1.824 -7.719 1.00 0.00 C ATOM 988 C GLU A 60 34.152 0.860 -8.564 1.00 0.00 C ATOM 989 O GLU A 60 35.115 1.290 -9.204 1.00 0.00 O ATOM 990 CB GLU A 60 33.431 1.498 -6.207 1.00 0.00 C ATOM 991 CG GLU A 60 34.868 1.523 -5.642 1.00 0.00 C ATOM 992 CD GLU A 60 35.572 2.884 -5.794 1.00 0.00 C ATOM 993 OE1 GLU A 60 35.162 3.856 -5.122 1.00 0.00 O ATOM 994 OE2 GLU A 60 36.552 2.992 -6.563 1.00 0.00 O ATOM 0 H GLU A 60 31.292 1.343 -7.378 1.00 0.00 H new ATOM 0 HA GLU A 60 33.669 2.830 -7.912 1.00 0.00 H new ATOM 0 HB2 GLU A 60 32.827 2.211 -5.645 1.00 0.00 H new ATOM 0 HB3 GLU A 60 33.007 0.510 -6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 60 34.838 1.256 -4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 60 35.460 0.760 -6.147 1.00 0.00 H new ATOM 1001 N LYS A 61 33.766 -0.441 -8.593 1.00 0.00 N ATOM 1002 CA LYS A 61 34.613 -1.513 -9.173 1.00 0.00 C ATOM 1003 C LYS A 61 34.729 -1.395 -10.697 1.00 0.00 C ATOM 1004 O LYS A 61 35.800 -1.633 -11.245 1.00 0.00 O ATOM 1005 CB LYS A 61 34.118 -2.943 -8.792 1.00 0.00 C ATOM 1006 CG LYS A 61 32.751 -3.367 -9.377 1.00 0.00 C ATOM 1007 CD LYS A 61 32.415 -4.859 -9.115 1.00 0.00 C ATOM 1008 CE LYS A 61 33.352 -5.815 -9.881 1.00 0.00 C ATOM 1009 NZ LYS A 61 33.079 -7.242 -9.579 1.00 0.00 N ATOM 0 H LYS A 61 32.875 -0.772 -8.222 1.00 0.00 H new ATOM 0 HA LYS A 61 35.601 -1.370 -8.736 1.00 0.00 H new ATOM 0 HB2 LYS A 61 34.869 -3.664 -9.116 1.00 0.00 H new ATOM 0 HB3 LYS A 61 34.062 -3.009 -7.705 1.00 0.00 H new ATOM 0 HG2 LYS A 61 31.968 -2.743 -8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 61 32.749 -3.183 -10.451 1.00 0.00 H new ATOM 0 HD2 LYS A 61 32.487 -5.063 -8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 61 31.383 -5.053 -9.408 1.00 0.00 H new ATOM 0 HE2 LYS A 61 33.241 -5.646 -10.952 1.00 0.00 H new ATOM 0 HE3 LYS A 61 34.387 -5.585 -9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 33.735 -7.843 -10.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 33.210 -7.413 -8.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 32.100 -7.472 -9.845 1.00 0.00 H new ATOM 1023 N GLU A 62 33.622 -1.018 -11.365 1.00 0.00 N ATOM 1024 CA GLU A 62 33.564 -0.920 -12.839 1.00 0.00 C ATOM 1025 C GLU A 62 34.423 0.248 -13.339 1.00 0.00 C ATOM 1026 O GLU A 62 35.117 0.134 -14.357 1.00 0.00 O ATOM 1027 CB GLU A 62 32.093 -0.781 -13.327 1.00 0.00 C ATOM 1028 CG GLU A 62 31.376 0.513 -12.887 1.00 0.00 C ATOM 1029 CD GLU A 62 29.895 0.535 -13.276 1.00 0.00 C ATOM 1030 OE1 GLU A 62 29.064 -0.034 -12.530 1.00 0.00 O ATOM 1031 OE2 GLU A 62 29.555 1.082 -14.347 1.00 0.00 O ATOM 0 H GLU A 62 32.746 -0.774 -10.903 1.00 0.00 H new ATOM 0 HA GLU A 62 33.970 -1.841 -13.258 1.00 0.00 H new ATOM 0 HB2 GLU A 62 32.082 -0.832 -14.416 1.00 0.00 H new ATOM 0 HB3 GLU A 62 31.523 -1.636 -12.962 1.00 0.00 H new ATOM 0 HG2 GLU A 62 31.464 0.622 -11.806 1.00 0.00 H new ATOM 0 HG3 GLU A 62 31.877 1.371 -13.336 1.00 0.00 H new ATOM 1038 N ARG A 63 34.389 1.357 -12.576 1.00 0.00 N ATOM 1039 CA ARG A 63 35.156 2.569 -12.877 1.00 0.00 C ATOM 1040 C ARG A 63 36.648 2.341 -12.570 1.00 0.00 C ATOM 1041 O ARG A 63 37.519 2.797 -13.312 1.00 0.00 O ATOM 1042 CB ARG A 63 34.589 3.783 -12.087 1.00 0.00 C ATOM 1043 CG ARG A 63 35.340 5.104 -12.340 1.00 0.00 C ATOM 1044 CD ARG A 63 34.686 6.342 -11.703 1.00 0.00 C ATOM 1045 NE ARG A 63 35.529 7.546 -11.908 1.00 0.00 N ATOM 1046 CZ ARG A 63 35.139 8.818 -11.723 1.00 0.00 C ATOM 1047 NH1 ARG A 63 33.896 9.111 -11.363 1.00 0.00 N ATOM 1048 NH2 ARG A 63 36.011 9.800 -11.911 1.00 0.00 N ATOM 0 H ARG A 63 33.824 1.432 -11.730 1.00 0.00 H new ATOM 0 HA ARG A 63 35.062 2.795 -13.939 1.00 0.00 H new ATOM 0 HB2 ARG A 63 33.540 3.917 -12.352 1.00 0.00 H new ATOM 0 HB3 ARG A 63 34.622 3.557 -11.021 1.00 0.00 H new ATOM 0 HG2 ARG A 63 36.356 5.008 -11.958 1.00 0.00 H new ATOM 0 HG3 ARG A 63 35.418 5.263 -13.416 1.00 0.00 H new ATOM 0 HD2 ARG A 63 33.700 6.504 -12.140 1.00 0.00 H new ATOM 0 HD3 ARG A 63 34.538 6.173 -10.636 1.00 0.00 H new ATOM 0 HE ARG A 63 36.489 7.394 -12.217 1.00 0.00 H new ATOM 0 HH11 ARG A 63 33.216 8.364 -11.222 1.00 0.00 H new ATOM 0 HH12 ARG A 63 33.620 10.084 -11.228 1.00 0.00 H new ATOM 0 HH21 ARG A 63 36.967 9.586 -12.193 1.00 0.00 H new ATOM 0 HH22 ARG A 63 35.725 10.769 -11.773 1.00 0.00 H new ATOM 1062 N ASN A 64 36.925 1.593 -11.489 1.00 0.00 N ATOM 1063 CA ASN A 64 38.301 1.263 -11.075 1.00 0.00 C ATOM 1064 C ASN A 64 38.929 0.251 -12.051 1.00 0.00 C ATOM 1065 O ASN A 64 40.116 0.324 -12.333 1.00 0.00 O ATOM 1066 CB ASN A 64 38.330 0.715 -9.615 1.00 0.00 C ATOM 1067 CG ASN A 64 39.751 0.474 -9.066 1.00 0.00 C ATOM 1068 OD1 ASN A 64 40.702 1.157 -9.442 1.00 0.00 O ATOM 1069 ND2 ASN A 64 39.891 -0.481 -8.153 1.00 0.00 N ATOM 0 H ASN A 64 36.207 1.201 -10.880 1.00 0.00 H new ATOM 0 HA ASN A 64 38.892 2.178 -11.100 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.814 1.419 -8.963 1.00 0.00 H new ATOM 0 HB3 ASN A 64 37.773 -0.221 -9.578 1.00 0.00 H new ATOM 0 HD21 ASN A 64 40.807 -0.665 -7.743 1.00 0.00 H new ATOM 0 HD22 ASN A 64 39.083 -1.031 -7.862 1.00 0.00 H new