USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 419 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 22 GLN : amide:sc= -0.328 X(o=0.47,f=0.39) USER MOD Set 1.2: A 26 TYR OH : rot -169:sc= 0.801 USER MOD Single : A 1 THR N :NH3+ -120:sc= 0.395 (180deg=0.00815) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.283 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0583 USER MOD Single : A 6 MET CE :methyl -139:sc= -0.0847 (180deg=-2.02!) USER MOD Single : A 9 ASN : amide:sc= -0.586 K(o=-0.59,f=-15!) USER MOD Single : A 13 GLN : amide:sc= -0.0502 X(o=-0.05,f=-0.28) USER MOD Single : A 16 LYS NZ :NH3+ -122:sc= 0.226 (180deg=-4.09!) USER MOD Single : A 24 THR OG1 : rot 72:sc= 0.653 USER MOD Single : A 25 SER OG : rot 30:sc= 0.545 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 161:sc= 1.01 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 50:sc= -0.323 USER MOD Single : A 44 THR OG1 : rot 161:sc= 1.02 USER MOD Single : A 47 TYR OH : rot 148:sc= 0.192 USER MOD Single : A 51 LYS NZ :NH3+ 154:sc= 1.96 (180deg=0.16) USER MOD Single : A 52 LYS NZ :NH3+ 164:sc= -0.363! (180deg=-1.87!) USER MOD Single : A 53 TYR OH : rot -6:sc= -0.752 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.017 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 6.857 12.722 7.727 1.00 0.00 N ATOM 2 CA THR A 1 7.608 11.511 7.424 1.00 0.00 C ATOM 3 C THR A 1 6.536 10.428 7.435 1.00 0.00 C ATOM 4 O THR A 1 5.372 10.800 7.514 1.00 0.00 O ATOM 5 CB THR A 1 8.798 11.251 8.375 1.00 0.00 C ATOM 6 OG1 THR A 1 9.486 10.106 7.899 1.00 0.00 O ATOM 7 CG2 THR A 1 8.365 11.065 9.841 1.00 0.00 C ATOM 0 H1 THR A 1 6.957 13.398 6.943 1.00 0.00 H new ATOM 0 H2 THR A 1 5.852 12.485 7.854 1.00 0.00 H new ATOM 0 H3 THR A 1 7.225 13.149 8.601 1.00 0.00 H new ATOM 0 HA THR A 1 8.126 11.566 6.466 1.00 0.00 H new ATOM 0 HB THR A 1 9.449 12.125 8.374 1.00 0.00 H new ATOM 0 HG1 THR A 1 10.250 9.917 8.483 1.00 0.00 H new ATOM 0 HG21 THR A 1 9.244 10.886 10.460 1.00 0.00 H new ATOM 0 HG22 THR A 1 7.855 11.964 10.187 1.00 0.00 H new ATOM 0 HG23 THR A 1 7.689 10.213 9.915 1.00 0.00 H new ATOM 17 N ALA A 2 6.978 9.160 7.348 1.00 0.00 N ATOM 18 CA ALA A 2 6.161 7.948 7.344 1.00 0.00 C ATOM 19 C ALA A 2 6.958 6.874 6.584 1.00 0.00 C ATOM 20 O ALA A 2 7.892 6.294 7.120 1.00 0.00 O ATOM 21 CB ALA A 2 4.737 8.143 6.785 1.00 0.00 C ATOM 0 H ALA A 2 7.973 8.950 7.275 1.00 0.00 H new ATOM 0 HA ALA A 2 5.976 7.638 8.372 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.200 7.195 6.819 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.208 8.881 7.387 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.795 8.491 5.754 1.00 0.00 H new ATOM 27 N LEU A 3 6.541 6.645 5.323 1.00 0.00 N ATOM 28 CA LEU A 3 7.208 5.683 4.455 1.00 0.00 C ATOM 29 C LEU A 3 7.457 6.361 3.101 1.00 0.00 C ATOM 30 O LEU A 3 6.912 7.419 2.810 1.00 0.00 O ATOM 31 CB LEU A 3 6.372 4.388 4.327 1.00 0.00 C ATOM 32 CG LEU A 3 7.188 3.126 4.692 1.00 0.00 C ATOM 33 CD1 LEU A 3 6.899 2.680 6.134 1.00 0.00 C ATOM 34 CD2 LEU A 3 6.931 1.970 3.719 1.00 0.00 C ATOM 0 H LEU A 3 5.746 7.118 4.893 1.00 0.00 H new ATOM 0 HA LEU A 3 8.166 5.380 4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.500 4.455 4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.002 4.296 3.306 1.00 0.00 H new ATOM 0 HG LEU A 3 8.240 3.398 4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.486 1.791 6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.168 3.481 6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.838 2.452 6.239 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.526 1.106 4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.873 1.707 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.211 2.274 2.710 1.00 0.00 H new ATOM 46 N PHE A 4 8.314 5.681 2.322 1.00 0.00 N ATOM 47 CA PHE A 4 8.743 6.119 0.993 1.00 0.00 C ATOM 48 C PHE A 4 8.056 5.194 -0.030 1.00 0.00 C ATOM 49 O PHE A 4 7.612 4.117 0.336 1.00 0.00 O ATOM 50 CB PHE A 4 10.291 6.009 0.953 1.00 0.00 C ATOM 51 CG PHE A 4 10.912 6.743 2.114 1.00 0.00 C ATOM 52 CD1 PHE A 4 10.980 8.133 2.110 1.00 0.00 C ATOM 53 CD2 PHE A 4 11.417 6.047 3.209 1.00 0.00 C ATOM 54 CE1 PHE A 4 11.538 8.817 3.182 1.00 0.00 C ATOM 55 CE2 PHE A 4 11.974 6.728 4.284 1.00 0.00 C ATOM 56 CZ PHE A 4 12.034 8.114 4.271 1.00 0.00 C ATOM 0 H PHE A 4 8.733 4.796 2.608 1.00 0.00 H new ATOM 0 HA PHE A 4 8.469 7.148 0.761 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.586 4.960 0.981 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.665 6.420 0.015 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.595 8.685 1.265 1.00 0.00 H new ATOM 0 HD2 PHE A 4 11.375 4.968 3.223 1.00 0.00 H new ATOM 0 HE1 PHE A 4 11.586 9.896 3.168 1.00 0.00 H new ATOM 0 HE2 PHE A 4 12.360 6.179 5.130 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.466 8.645 5.107 1.00 0.00 H new ATOM 66 N THR A 5 8.003 5.621 -1.315 1.00 0.00 N ATOM 67 CA THR A 5 7.310 4.785 -2.302 1.00 0.00 C ATOM 68 C THR A 5 8.226 3.686 -2.874 1.00 0.00 C ATOM 69 O THR A 5 7.814 2.553 -3.109 1.00 0.00 O ATOM 70 CB THR A 5 6.836 5.665 -3.477 1.00 0.00 C ATOM 71 OG1 THR A 5 7.917 6.311 -4.135 1.00 0.00 O ATOM 72 CG2 THR A 5 5.721 6.660 -3.104 1.00 0.00 C ATOM 0 H THR A 5 8.408 6.487 -1.670 1.00 0.00 H new ATOM 0 HA THR A 5 6.470 4.313 -1.793 1.00 0.00 H new ATOM 0 HB THR A 5 6.385 4.970 -4.186 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.572 6.856 -4.873 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.443 7.241 -3.983 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.851 6.112 -2.741 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.079 7.331 -2.323 1.00 0.00 H new ATOM 80 N MET A 6 9.475 4.142 -3.071 1.00 0.00 N ATOM 81 CA MET A 6 10.629 3.406 -3.595 1.00 0.00 C ATOM 82 C MET A 6 10.245 2.189 -4.468 1.00 0.00 C ATOM 83 O MET A 6 10.370 1.038 -4.073 1.00 0.00 O ATOM 84 CB MET A 6 11.595 3.035 -2.453 1.00 0.00 C ATOM 85 CG MET A 6 10.907 2.470 -1.202 1.00 0.00 C ATOM 86 SD MET A 6 12.101 1.730 -0.070 1.00 0.00 S ATOM 87 CE MET A 6 12.760 3.221 0.700 1.00 0.00 C ATOM 0 H MET A 6 9.718 5.108 -2.850 1.00 0.00 H new ATOM 0 HA MET A 6 11.151 4.077 -4.277 1.00 0.00 H new ATOM 0 HB2 MET A 6 12.311 2.301 -2.823 1.00 0.00 H new ATOM 0 HB3 MET A 6 12.164 3.921 -2.172 1.00 0.00 H new ATOM 0 HG2 MET A 6 10.365 3.267 -0.692 1.00 0.00 H new ATOM 0 HG3 MET A 6 10.171 1.722 -1.496 1.00 0.00 H new ATOM 0 HE1 MET A 6 13.840 3.125 0.815 1.00 0.00 H new ATOM 0 HE2 MET A 6 12.537 4.084 0.072 1.00 0.00 H new ATOM 0 HE3 MET A 6 12.302 3.358 1.680 1.00 0.00 H new ATOM 97 N GLY A 7 9.778 2.540 -5.683 1.00 0.00 N ATOM 98 CA GLY A 7 9.353 1.547 -6.670 1.00 0.00 C ATOM 99 C GLY A 7 7.861 1.718 -6.972 1.00 0.00 C ATOM 100 O GLY A 7 7.408 1.578 -8.100 1.00 0.00 O ATOM 0 H GLY A 7 9.688 3.506 -5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.934 1.660 -7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.544 0.542 -6.293 1.00 0.00 H new ATOM 104 N GLY A 8 7.159 2.055 -5.873 1.00 0.00 N ATOM 105 CA GLY A 8 5.731 2.355 -5.840 1.00 0.00 C ATOM 106 C GLY A 8 5.256 3.256 -6.990 1.00 0.00 C ATOM 107 O GLY A 8 6.039 3.915 -7.658 1.00 0.00 O ATOM 0 H GLY A 8 7.596 2.126 -4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.173 1.419 -5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.493 2.837 -4.892 1.00 0.00 H new ATOM 111 N ASN A 9 3.918 3.239 -7.177 1.00 0.00 N ATOM 112 CA ASN A 9 3.328 3.982 -8.300 1.00 0.00 C ATOM 113 C ASN A 9 2.607 5.255 -7.819 1.00 0.00 C ATOM 114 O ASN A 9 2.109 6.045 -8.611 1.00 0.00 O ATOM 115 CB ASN A 9 2.379 3.052 -9.106 1.00 0.00 C ATOM 116 CG ASN A 9 1.032 2.751 -8.418 1.00 0.00 C ATOM 117 OD1 ASN A 9 0.720 3.299 -7.375 1.00 0.00 O ATOM 118 ND2 ASN A 9 0.220 1.905 -9.069 1.00 0.00 N ATOM 0 H ASN A 9 3.253 2.739 -6.588 1.00 0.00 H new ATOM 0 HA ASN A 9 4.131 4.310 -8.960 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.182 3.510 -10.075 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.892 2.110 -9.297 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -0.705 1.695 -8.694 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.527 1.471 -9.939 1.00 0.00 H new ATOM 125 N ALA A 10 2.578 5.420 -6.485 1.00 0.00 N ATOM 126 CA ALA A 10 1.840 6.514 -5.867 1.00 0.00 C ATOM 127 C ALA A 10 2.442 7.931 -6.006 1.00 0.00 C ATOM 128 O ALA A 10 2.214 8.772 -5.147 1.00 0.00 O ATOM 129 CB ALA A 10 1.668 6.168 -4.393 1.00 0.00 C ATOM 0 H ALA A 10 3.057 4.808 -5.824 1.00 0.00 H new ATOM 0 HA ALA A 10 0.899 6.588 -6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.118 6.966 -3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.115 5.233 -4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.648 6.057 -3.929 1.00 0.00 H new ATOM 135 N GLU A 11 3.198 8.179 -7.092 1.00 0.00 N ATOM 136 CA GLU A 11 3.743 9.514 -7.377 1.00 0.00 C ATOM 137 C GLU A 11 4.446 10.195 -6.171 1.00 0.00 C ATOM 138 O GLU A 11 4.334 11.394 -5.956 1.00 0.00 O ATOM 139 CB GLU A 11 2.611 10.392 -7.944 1.00 0.00 C ATOM 140 CG GLU A 11 2.103 9.890 -9.315 1.00 0.00 C ATOM 141 CD GLU A 11 0.611 10.158 -9.568 1.00 0.00 C ATOM 142 OE1 GLU A 11 -0.065 10.773 -8.742 1.00 0.00 O ATOM 143 OE2 GLU A 11 0.074 9.658 -10.555 1.00 0.00 O ATOM 0 H GLU A 11 3.443 7.471 -7.784 1.00 0.00 H new ATOM 0 HA GLU A 11 4.539 9.392 -8.111 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.781 10.411 -7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.967 11.417 -8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.686 10.367 -10.103 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.286 8.818 -9.388 1.00 0.00 H new ATOM 150 N GLY A 12 5.196 9.365 -5.419 1.00 0.00 N ATOM 151 CA GLY A 12 5.979 9.885 -4.286 1.00 0.00 C ATOM 152 C GLY A 12 5.179 9.977 -2.968 1.00 0.00 C ATOM 153 O GLY A 12 5.743 10.306 -1.933 1.00 0.00 O ATOM 0 H GLY A 12 5.275 8.359 -5.571 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.846 9.243 -4.130 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.357 10.875 -4.541 1.00 0.00 H new ATOM 157 N GLN A 13 3.865 9.679 -3.027 1.00 0.00 N ATOM 158 CA GLN A 13 3.057 9.757 -1.808 1.00 0.00 C ATOM 159 C GLN A 13 3.509 8.693 -0.770 1.00 0.00 C ATOM 160 O GLN A 13 3.733 7.540 -1.113 1.00 0.00 O ATOM 161 CB GLN A 13 1.563 9.549 -2.119 1.00 0.00 C ATOM 162 CG GLN A 13 0.908 10.720 -2.877 1.00 0.00 C ATOM 163 CD GLN A 13 0.768 11.942 -1.960 1.00 0.00 C ATOM 164 OE1 GLN A 13 1.672 12.750 -1.815 1.00 0.00 O ATOM 165 NE2 GLN A 13 -0.412 12.022 -1.334 1.00 0.00 N ATOM 0 H GLN A 13 3.364 9.395 -3.869 1.00 0.00 H new ATOM 0 HA GLN A 13 3.202 10.753 -1.390 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.449 8.640 -2.709 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.027 9.391 -1.183 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.510 10.979 -3.748 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.073 10.420 -3.245 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.126 11.313 -1.499 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.597 12.792 -0.691 1.00 0.00 H new ATOM 174 N PRO A 14 3.615 9.109 0.523 1.00 0.00 N ATOM 175 CA PRO A 14 3.992 8.195 1.599 1.00 0.00 C ATOM 176 C PRO A 14 2.840 7.239 1.967 1.00 0.00 C ATOM 177 O PRO A 14 1.670 7.631 1.962 1.00 0.00 O ATOM 178 CB PRO A 14 4.308 9.130 2.773 1.00 0.00 C ATOM 179 CG PRO A 14 3.468 10.387 2.521 1.00 0.00 C ATOM 180 CD PRO A 14 3.382 10.475 0.995 1.00 0.00 C ATOM 0 HA PRO A 14 4.827 7.553 1.319 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.049 8.668 3.726 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.371 9.368 2.812 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.479 10.304 2.972 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.939 11.273 2.946 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.407 10.842 0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.128 11.163 0.597 1.00 0.00 H new ATOM 188 N CYS A 15 3.246 5.983 2.305 1.00 0.00 N ATOM 189 CA CYS A 15 2.302 4.917 2.691 1.00 0.00 C ATOM 190 C CYS A 15 1.200 5.474 3.590 1.00 0.00 C ATOM 191 O CYS A 15 1.405 6.395 4.377 1.00 0.00 O ATOM 192 CB CYS A 15 2.991 3.848 3.549 1.00 0.00 C ATOM 193 SG CYS A 15 4.015 2.676 2.633 1.00 0.00 S ATOM 0 H CYS A 15 4.224 5.693 2.315 1.00 0.00 H new ATOM 0 HA CYS A 15 1.915 4.506 1.758 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.613 4.346 4.293 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.227 3.292 4.093 1.00 0.00 H new ATOM 198 N LYS A 16 -0.001 4.918 3.386 1.00 0.00 N ATOM 199 CA LYS A 16 -1.172 5.398 4.091 1.00 0.00 C ATOM 200 C LYS A 16 -1.777 4.250 4.878 1.00 0.00 C ATOM 201 O LYS A 16 -1.908 3.130 4.406 1.00 0.00 O ATOM 202 CB LYS A 16 -2.162 5.929 3.043 1.00 0.00 C ATOM 203 CG LYS A 16 -3.231 6.928 3.573 1.00 0.00 C ATOM 204 CD LYS A 16 -2.660 8.351 3.723 1.00 0.00 C ATOM 205 CE LYS A 16 -1.376 8.621 4.530 1.00 0.00 C ATOM 206 NZ LYS A 16 -0.103 8.371 3.832 1.00 0.00 N ATOM 0 H LYS A 16 -0.176 4.145 2.744 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.920 6.196 4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.596 6.417 2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.676 5.080 2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.080 6.947 2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.605 6.583 4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.487 8.731 2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.446 8.963 4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.389 9.661 4.856 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.400 8.005 5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.453 7.671 4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.296 8.006 2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.434 9.259 3.761 1.00 0.00 H new ATOM 220 N PHE A 17 -2.092 4.624 6.121 1.00 0.00 N ATOM 221 CA PHE A 17 -2.694 3.701 7.066 1.00 0.00 C ATOM 222 C PHE A 17 -3.795 4.519 7.765 1.00 0.00 C ATOM 223 O PHE A 17 -3.521 5.647 8.156 1.00 0.00 O ATOM 224 CB PHE A 17 -1.640 3.231 8.098 1.00 0.00 C ATOM 225 CG PHE A 17 -0.447 2.518 7.502 1.00 0.00 C ATOM 226 CD1 PHE A 17 -0.599 1.302 6.847 1.00 0.00 C ATOM 227 CD2 PHE A 17 0.839 3.038 7.628 1.00 0.00 C ATOM 228 CE1 PHE A 17 0.500 0.611 6.361 1.00 0.00 C ATOM 229 CE2 PHE A 17 1.941 2.346 7.146 1.00 0.00 C ATOM 230 CZ PHE A 17 1.778 1.118 6.524 1.00 0.00 C ATOM 0 H PHE A 17 -1.937 5.562 6.490 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.087 2.808 6.580 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.286 4.098 8.657 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.123 2.566 8.814 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.588 0.889 6.715 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.981 3.995 8.108 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.358 -0.330 5.851 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.930 2.766 7.256 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.636 0.565 6.172 1.00 0.00 H new ATOM 240 N PRO A 18 -5.028 3.964 7.915 1.00 0.00 N ATOM 241 CA PRO A 18 -5.495 2.700 7.348 1.00 0.00 C ATOM 242 C PRO A 18 -5.957 2.869 5.884 1.00 0.00 C ATOM 243 O PRO A 18 -6.618 3.841 5.542 1.00 0.00 O ATOM 244 CB PRO A 18 -6.701 2.341 8.225 1.00 0.00 C ATOM 245 CG PRO A 18 -7.261 3.694 8.675 1.00 0.00 C ATOM 246 CD PRO A 18 -6.038 4.617 8.746 1.00 0.00 C ATOM 0 HA PRO A 18 -4.711 1.943 7.336 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.443 1.770 7.666 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.404 1.730 9.078 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.001 4.071 7.969 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.755 3.616 9.643 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.273 5.614 8.373 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.690 4.734 9.772 1.00 0.00 H new ATOM 254 N PHE A 19 -5.582 1.880 5.051 1.00 0.00 N ATOM 255 CA PHE A 19 -6.005 1.852 3.651 1.00 0.00 C ATOM 256 C PHE A 19 -7.016 0.698 3.499 1.00 0.00 C ATOM 257 O PHE A 19 -6.840 -0.378 4.055 1.00 0.00 O ATOM 258 CB PHE A 19 -4.837 1.718 2.653 1.00 0.00 C ATOM 259 CG PHE A 19 -3.969 0.467 2.835 1.00 0.00 C ATOM 260 CD1 PHE A 19 -3.054 0.278 3.891 1.00 0.00 C ATOM 261 CD2 PHE A 19 -4.075 -0.545 1.873 1.00 0.00 C ATOM 262 CE1 PHE A 19 -2.231 -0.839 3.925 1.00 0.00 C ATOM 263 CE2 PHE A 19 -3.250 -1.690 1.931 1.00 0.00 C ATOM 264 CZ PHE A 19 -2.312 -1.810 2.942 1.00 0.00 C ATOM 0 H PHE A 19 -4.990 1.097 5.328 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.463 2.809 3.403 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.242 1.717 1.641 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.201 2.599 2.741 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.993 1.011 4.682 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.797 -0.449 1.076 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.518 -0.952 4.729 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.351 -2.469 1.190 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.645 -2.659 2.964 1.00 0.00 H new ATOM 274 N ARG A 20 -8.101 0.990 2.751 1.00 0.00 N ATOM 275 CA ARG A 20 -9.193 0.037 2.558 1.00 0.00 C ATOM 276 C ARG A 20 -9.064 -0.563 1.136 1.00 0.00 C ATOM 277 O ARG A 20 -9.112 0.160 0.148 1.00 0.00 O ATOM 278 CB ARG A 20 -10.521 0.822 2.761 1.00 0.00 C ATOM 279 CG ARG A 20 -11.813 -0.005 2.974 1.00 0.00 C ATOM 280 CD ARG A 20 -13.097 0.726 2.441 1.00 0.00 C ATOM 281 NE ARG A 20 -12.932 1.180 1.036 1.00 0.00 N ATOM 282 CZ ARG A 20 -12.799 0.297 0.027 1.00 0.00 C ATOM 283 NH1 ARG A 20 -12.845 -1.002 0.241 1.00 0.00 N ATOM 284 NH2 ARG A 20 -12.605 0.698 -1.212 1.00 0.00 N ATOM 0 H ARG A 20 -8.236 1.881 2.274 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.168 -0.792 3.265 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.396 1.479 3.622 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.670 1.462 1.891 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.711 -0.966 2.469 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.934 -0.214 4.037 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.952 0.053 2.507 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.317 1.584 3.076 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.919 2.179 0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.984 -1.358 1.187 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.742 -1.651 -0.539 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.553 1.695 -1.423 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.507 0.012 -1.961 1.00 0.00 H new ATOM 298 N PHE A 21 -8.865 -1.897 1.086 1.00 0.00 N ATOM 299 CA PHE A 21 -8.658 -2.634 -0.166 1.00 0.00 C ATOM 300 C PHE A 21 -9.504 -3.913 -0.100 1.00 0.00 C ATOM 301 O PHE A 21 -9.688 -4.480 0.963 1.00 0.00 O ATOM 302 CB PHE A 21 -7.159 -2.979 -0.249 1.00 0.00 C ATOM 303 CG PHE A 21 -6.800 -3.973 -1.322 1.00 0.00 C ATOM 304 CD1 PHE A 21 -7.129 -3.731 -2.645 1.00 0.00 C ATOM 305 CD2 PHE A 21 -6.105 -5.135 -1.005 1.00 0.00 C ATOM 306 CE1 PHE A 21 -6.698 -4.582 -3.655 1.00 0.00 C ATOM 307 CE2 PHE A 21 -5.672 -5.995 -2.007 1.00 0.00 C ATOM 308 CZ PHE A 21 -5.954 -5.711 -3.336 1.00 0.00 C ATOM 0 H PHE A 21 -8.844 -2.489 1.917 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.950 -2.056 -1.043 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.598 -2.061 -0.421 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.837 -3.373 0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.729 -2.869 -2.895 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.900 -5.371 0.029 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.941 -4.366 -4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.116 -6.885 -1.751 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.597 -6.364 -4.118 1.00 0.00 H new ATOM 318 N GLN A 22 -10.035 -4.342 -1.258 1.00 0.00 N ATOM 319 CA GLN A 22 -10.879 -5.539 -1.314 1.00 0.00 C ATOM 320 C GLN A 22 -12.021 -5.463 -0.253 1.00 0.00 C ATOM 321 O GLN A 22 -12.363 -6.456 0.380 1.00 0.00 O ATOM 322 CB GLN A 22 -10.091 -6.869 -1.101 1.00 0.00 C ATOM 323 CG GLN A 22 -9.007 -7.212 -2.157 1.00 0.00 C ATOM 324 CD GLN A 22 -8.021 -8.308 -1.701 1.00 0.00 C ATOM 325 OE1 GLN A 22 -7.681 -9.194 -2.473 1.00 0.00 O ATOM 326 NE2 GLN A 22 -7.579 -8.234 -0.443 1.00 0.00 N ATOM 0 H GLN A 22 -9.894 -3.881 -2.157 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.291 -5.554 -2.323 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.612 -6.828 -0.123 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.809 -7.689 -1.071 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.497 -7.536 -3.075 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.447 -6.308 -2.396 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.891 -7.476 0.164 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.929 -8.936 -0.089 1.00 0.00 H new ATOM 335 N GLY A 23 -12.575 -4.241 -0.050 1.00 0.00 N ATOM 336 CA GLY A 23 -13.670 -4.121 0.923 1.00 0.00 C ATOM 337 C GLY A 23 -13.251 -4.364 2.392 1.00 0.00 C ATOM 338 O GLY A 23 -14.092 -4.471 3.271 1.00 0.00 O ATOM 0 H GLY A 23 -12.298 -3.378 -0.519 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.104 -3.124 0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.453 -4.832 0.659 1.00 0.00 H new ATOM 342 N THR A 24 -11.925 -4.462 2.599 1.00 0.00 N ATOM 343 CA THR A 24 -11.331 -4.780 3.889 1.00 0.00 C ATOM 344 C THR A 24 -10.381 -3.638 4.306 1.00 0.00 C ATOM 345 O THR A 24 -9.806 -2.960 3.466 1.00 0.00 O ATOM 346 CB THR A 24 -10.599 -6.121 3.689 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.458 -7.052 3.046 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.152 -6.747 5.014 1.00 0.00 C ATOM 0 H THR A 24 -11.237 -4.319 1.860 1.00 0.00 H new ATOM 0 HA THR A 24 -12.064 -4.875 4.690 1.00 0.00 H new ATOM 0 HB THR A 24 -9.719 -5.905 3.084 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.571 -6.798 2.106 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.642 -7.690 4.817 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.472 -6.067 5.527 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.024 -6.931 5.642 1.00 0.00 H new ATOM 356 N SER A 25 -10.264 -3.447 5.634 1.00 0.00 N ATOM 357 CA SER A 25 -9.436 -2.393 6.214 1.00 0.00 C ATOM 358 C SER A 25 -8.051 -2.946 6.596 1.00 0.00 C ATOM 359 O SER A 25 -7.969 -3.952 7.291 1.00 0.00 O ATOM 360 CB SER A 25 -10.148 -1.998 7.512 1.00 0.00 C ATOM 361 OG SER A 25 -10.472 -3.171 8.243 1.00 0.00 O ATOM 0 H SER A 25 -10.743 -4.022 6.327 1.00 0.00 H new ATOM 0 HA SER A 25 -9.304 -1.568 5.514 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.508 -1.349 8.109 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.053 -1.434 7.287 1.00 0.00 H new ATOM 0 HG SER A 25 -9.813 -3.870 8.048 1.00 0.00 H new ATOM 367 N TYR A 26 -7.001 -2.236 6.137 1.00 0.00 N ATOM 368 CA TYR A 26 -5.612 -2.606 6.397 1.00 0.00 C ATOM 369 C TYR A 26 -4.911 -1.438 7.102 1.00 0.00 C ATOM 370 O TYR A 26 -5.080 -0.287 6.723 1.00 0.00 O ATOM 371 CB TYR A 26 -4.847 -2.814 5.081 1.00 0.00 C ATOM 372 CG TYR A 26 -5.369 -3.923 4.217 1.00 0.00 C ATOM 373 CD1 TYR A 26 -6.604 -3.820 3.591 1.00 0.00 C ATOM 374 CD2 TYR A 26 -4.607 -5.063 4.003 1.00 0.00 C ATOM 375 CE1 TYR A 26 -7.076 -4.852 2.808 1.00 0.00 C ATOM 376 CE2 TYR A 26 -5.079 -6.082 3.194 1.00 0.00 C ATOM 377 CZ TYR A 26 -6.330 -5.993 2.608 1.00 0.00 C ATOM 378 OH TYR A 26 -6.857 -6.991 1.817 1.00 0.00 O ATOM 0 H TYR A 26 -7.102 -1.390 5.576 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.616 -3.518 6.993 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.874 -1.885 4.511 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.801 -3.015 5.313 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.198 -2.927 3.718 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.638 -5.156 4.471 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -8.047 -4.765 2.343 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.466 -6.954 3.018 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.310 -7.799 1.902 1.00 0.00 H new ATOM 388 N ASP A 27 -4.100 -1.803 8.113 1.00 0.00 N ATOM 389 CA ASP A 27 -3.308 -0.821 8.857 1.00 0.00 C ATOM 390 C ASP A 27 -1.841 -1.296 8.916 1.00 0.00 C ATOM 391 O ASP A 27 -1.098 -1.020 9.847 1.00 0.00 O ATOM 392 CB ASP A 27 -3.947 -0.629 10.247 1.00 0.00 C ATOM 393 CG ASP A 27 -3.648 0.761 10.832 1.00 0.00 C ATOM 394 OD1 ASP A 27 -3.973 1.751 10.178 1.00 0.00 O ATOM 395 OD2 ASP A 27 -3.116 0.841 11.937 1.00 0.00 O ATOM 0 H ASP A 27 -3.980 -2.766 8.427 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.303 0.152 8.365 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.026 -0.766 10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.575 -1.396 10.926 1.00 0.00 H new ATOM 400 N SER A 28 -1.468 -2.058 7.867 1.00 0.00 N ATOM 401 CA SER A 28 -0.131 -2.626 7.824 1.00 0.00 C ATOM 402 C SER A 28 0.131 -3.133 6.395 1.00 0.00 C ATOM 403 O SER A 28 -0.780 -3.264 5.585 1.00 0.00 O ATOM 404 CB SER A 28 -0.068 -3.787 8.848 1.00 0.00 C ATOM 405 OG SER A 28 -1.163 -4.659 8.590 1.00 0.00 O ATOM 0 H SER A 28 -2.062 -2.282 7.068 1.00 0.00 H new ATOM 0 HA SER A 28 0.629 -1.888 8.079 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.876 -4.324 8.758 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.120 -3.401 9.866 1.00 0.00 H new ATOM 0 HG SER A 28 -1.144 -5.405 9.226 1.00 0.00 H new ATOM 411 N CYS A 29 1.429 -3.406 6.157 1.00 0.00 N ATOM 412 CA CYS A 29 1.899 -3.947 4.884 1.00 0.00 C ATOM 413 C CYS A 29 1.202 -5.286 4.525 1.00 0.00 C ATOM 414 O CYS A 29 1.003 -6.112 5.406 1.00 0.00 O ATOM 415 CB CYS A 29 3.366 -4.333 5.073 1.00 0.00 C ATOM 416 SG CYS A 29 4.503 -3.071 5.679 1.00 0.00 S ATOM 0 H CYS A 29 2.170 -3.256 6.842 1.00 0.00 H new ATOM 0 HA CYS A 29 1.709 -3.197 4.116 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.403 -5.175 5.764 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.743 -4.690 4.115 1.00 0.00 H new ATOM 421 N THR A 30 0.902 -5.497 3.222 1.00 0.00 N ATOM 422 CA THR A 30 0.398 -6.811 2.798 1.00 0.00 C ATOM 423 C THR A 30 1.101 -7.205 1.492 1.00 0.00 C ATOM 424 O THR A 30 1.780 -6.401 0.871 1.00 0.00 O ATOM 425 CB THR A 30 -1.139 -6.853 2.675 1.00 0.00 C ATOM 426 OG1 THR A 30 -1.503 -8.182 2.311 1.00 0.00 O ATOM 427 CG2 THR A 30 -1.673 -5.870 1.613 1.00 0.00 C ATOM 0 H THR A 30 0.996 -4.804 2.480 1.00 0.00 H new ATOM 0 HA THR A 30 0.633 -7.544 3.570 1.00 0.00 H new ATOM 0 HB THR A 30 -1.575 -6.557 3.629 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.449 -8.331 2.519 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.760 -5.940 1.567 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.385 -4.853 1.881 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.252 -6.122 0.640 1.00 0.00 H new ATOM 435 N THR A 31 0.867 -8.471 1.108 1.00 0.00 N ATOM 436 CA THR A 31 1.355 -9.026 -0.150 1.00 0.00 C ATOM 437 C THR A 31 0.166 -9.389 -1.058 1.00 0.00 C ATOM 438 O THR A 31 0.344 -9.895 -2.155 1.00 0.00 O ATOM 439 CB THR A 31 2.187 -10.287 0.141 1.00 0.00 C ATOM 440 OG1 THR A 31 1.525 -11.102 1.097 1.00 0.00 O ATOM 441 CG2 THR A 31 3.554 -9.938 0.731 1.00 0.00 C ATOM 0 H THR A 31 0.332 -9.134 1.668 1.00 0.00 H new ATOM 0 HA THR A 31 1.975 -8.286 -0.656 1.00 0.00 H new ATOM 0 HB THR A 31 2.311 -10.805 -0.810 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.063 -11.902 1.273 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.112 -10.854 0.923 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.107 -9.317 0.026 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.419 -9.393 1.665 1.00 0.00 H new ATOM 449 N GLU A 32 -1.065 -9.138 -0.567 1.00 0.00 N ATOM 450 CA GLU A 32 -2.230 -9.506 -1.370 1.00 0.00 C ATOM 451 C GLU A 32 -2.213 -8.776 -2.727 1.00 0.00 C ATOM 452 O GLU A 32 -2.156 -7.556 -2.791 1.00 0.00 O ATOM 453 CB GLU A 32 -3.491 -9.179 -0.566 1.00 0.00 C ATOM 454 CG GLU A 32 -3.676 -10.175 0.589 1.00 0.00 C ATOM 455 CD GLU A 32 -4.589 -9.583 1.661 1.00 0.00 C ATOM 456 OE1 GLU A 32 -5.791 -9.496 1.433 1.00 0.00 O ATOM 457 OE2 GLU A 32 -4.081 -9.191 2.707 1.00 0.00 O ATOM 0 H GLU A 32 -1.266 -8.705 0.334 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.212 -10.573 -1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.423 -8.166 -0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.362 -9.208 -1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.103 -11.104 0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.707 -10.422 1.023 1.00 0.00 H new ATOM 464 N GLY A 33 -2.239 -9.602 -3.792 1.00 0.00 N ATOM 465 CA GLY A 33 -2.208 -9.088 -5.159 1.00 0.00 C ATOM 466 C GLY A 33 -0.813 -9.205 -5.799 1.00 0.00 C ATOM 467 O GLY A 33 -0.672 -9.127 -7.012 1.00 0.00 O ATOM 0 H GLY A 33 -2.281 -10.619 -3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.930 -9.634 -5.766 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.518 -8.043 -5.158 1.00 0.00 H new ATOM 471 N ARG A 34 0.200 -9.389 -4.932 1.00 0.00 N ATOM 472 CA ARG A 34 1.581 -9.518 -5.418 1.00 0.00 C ATOM 473 C ARG A 34 2.186 -10.812 -4.861 1.00 0.00 C ATOM 474 O ARG A 34 2.514 -10.931 -3.688 1.00 0.00 O ATOM 475 CB ARG A 34 2.405 -8.328 -4.923 1.00 0.00 C ATOM 476 CG ARG A 34 1.908 -7.000 -5.532 1.00 0.00 C ATOM 477 CD ARG A 34 3.036 -5.959 -5.698 1.00 0.00 C ATOM 478 NE ARG A 34 3.897 -6.355 -6.828 1.00 0.00 N ATOM 479 CZ ARG A 34 3.681 -5.967 -8.110 1.00 0.00 C ATOM 480 NH1 ARG A 34 2.871 -4.959 -8.423 1.00 0.00 N ATOM 481 NH2 ARG A 34 4.302 -6.617 -9.086 1.00 0.00 N ATOM 0 H ARG A 34 0.092 -9.450 -3.920 1.00 0.00 H new ATOM 0 HA ARG A 34 1.588 -9.541 -6.508 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.350 -8.274 -3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.453 -8.478 -5.182 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.456 -7.198 -6.504 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.126 -6.584 -4.896 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.612 -4.971 -5.877 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.624 -5.893 -4.783 1.00 0.00 H new ATOM 0 HE ARG A 34 4.700 -6.954 -6.635 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.386 -4.447 -7.686 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.735 -4.698 -9.400 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.927 -7.392 -8.865 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.154 -6.342 -10.057 1.00 0.00 H new ATOM 495 N THR A 35 2.357 -11.756 -5.797 1.00 0.00 N ATOM 496 CA THR A 35 2.912 -13.061 -5.453 1.00 0.00 C ATOM 497 C THR A 35 4.378 -13.131 -5.917 1.00 0.00 C ATOM 498 O THR A 35 4.906 -14.192 -6.223 1.00 0.00 O ATOM 499 CB THR A 35 2.045 -14.143 -6.127 1.00 0.00 C ATOM 500 OG1 THR A 35 0.705 -13.671 -6.117 1.00 0.00 O ATOM 501 CG2 THR A 35 2.151 -15.496 -5.402 1.00 0.00 C ATOM 0 H THR A 35 2.121 -11.638 -6.782 1.00 0.00 H new ATOM 0 HA THR A 35 2.901 -13.224 -4.375 1.00 0.00 H new ATOM 0 HB THR A 35 2.392 -14.315 -7.146 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.121 -14.334 -6.541 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.525 -16.230 -5.909 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.187 -15.834 -5.412 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.816 -15.384 -4.371 1.00 0.00 H new ATOM 509 N ASP A 36 4.997 -11.932 -5.935 1.00 0.00 N ATOM 510 CA ASP A 36 6.385 -11.767 -6.350 1.00 0.00 C ATOM 511 C ASP A 36 7.303 -11.439 -5.151 1.00 0.00 C ATOM 512 O ASP A 36 8.498 -11.228 -5.317 1.00 0.00 O ATOM 513 CB ASP A 36 6.455 -10.660 -7.421 1.00 0.00 C ATOM 514 CG ASP A 36 5.939 -9.288 -6.950 1.00 0.00 C ATOM 515 OD1 ASP A 36 5.693 -9.094 -5.763 1.00 0.00 O ATOM 516 OD2 ASP A 36 5.783 -8.405 -7.787 1.00 0.00 O ATOM 0 H ASP A 36 4.542 -11.061 -5.662 1.00 0.00 H new ATOM 0 HA ASP A 36 6.744 -12.706 -6.771 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.489 -10.553 -7.749 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.876 -10.974 -8.290 1.00 0.00 H new ATOM 521 N GLY A 37 6.697 -11.436 -3.940 1.00 0.00 N ATOM 522 CA GLY A 37 7.465 -11.209 -2.720 1.00 0.00 C ATOM 523 C GLY A 37 7.221 -9.840 -2.084 1.00 0.00 C ATOM 524 O GLY A 37 7.103 -9.714 -0.874 1.00 0.00 O ATOM 0 H GLY A 37 5.699 -11.586 -3.795 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.217 -11.985 -1.996 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.527 -11.311 -2.946 1.00 0.00 H new ATOM 528 N TYR A 38 7.231 -8.823 -2.958 1.00 0.00 N ATOM 529 CA TYR A 38 7.236 -7.440 -2.481 1.00 0.00 C ATOM 530 C TYR A 38 5.948 -7.050 -1.737 1.00 0.00 C ATOM 531 O TYR A 38 4.846 -7.060 -2.275 1.00 0.00 O ATOM 532 CB TYR A 38 7.573 -6.502 -3.654 1.00 0.00 C ATOM 533 CG TYR A 38 8.691 -7.111 -4.459 1.00 0.00 C ATOM 534 CD1 TYR A 38 9.917 -7.406 -3.882 1.00 0.00 C ATOM 535 CD2 TYR A 38 8.499 -7.478 -5.779 1.00 0.00 C ATOM 536 CE1 TYR A 38 10.884 -8.095 -4.579 1.00 0.00 C ATOM 537 CE2 TYR A 38 9.462 -8.169 -6.477 1.00 0.00 C ATOM 538 CZ TYR A 38 10.665 -8.497 -5.882 1.00 0.00 C ATOM 539 OH TYR A 38 11.625 -9.218 -6.558 1.00 0.00 O ATOM 0 H TYR A 38 7.236 -8.930 -3.972 1.00 0.00 H new ATOM 0 HA TYR A 38 8.014 -7.337 -1.725 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.694 -6.352 -4.282 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.868 -5.522 -3.280 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.117 -7.090 -2.869 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.574 -7.217 -6.272 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.825 -8.324 -4.101 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.276 -8.458 -7.501 1.00 0.00 H new ATOM 0 HH TYR A 38 11.306 -9.419 -7.463 1.00 0.00 H new ATOM 549 N ARG A 39 6.180 -6.697 -0.460 1.00 0.00 N ATOM 550 CA ARG A 39 5.043 -6.271 0.388 1.00 0.00 C ATOM 551 C ARG A 39 4.762 -4.792 0.042 1.00 0.00 C ATOM 552 O ARG A 39 5.689 -4.003 -0.099 1.00 0.00 O ATOM 553 CB ARG A 39 5.510 -6.410 1.850 1.00 0.00 C ATOM 554 CG ARG A 39 5.900 -7.843 2.278 1.00 0.00 C ATOM 555 CD ARG A 39 7.102 -7.867 3.262 1.00 0.00 C ATOM 556 NE ARG A 39 6.783 -7.728 4.696 1.00 0.00 N ATOM 557 CZ ARG A 39 6.396 -6.594 5.324 1.00 0.00 C ATOM 558 NH1 ARG A 39 6.327 -5.437 4.688 1.00 0.00 N ATOM 559 NH2 ARG A 39 6.117 -6.632 6.620 1.00 0.00 N ATOM 0 H ARG A 39 7.094 -6.695 -0.006 1.00 0.00 H new ATOM 0 HA ARG A 39 4.139 -6.860 0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.367 -5.755 2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.714 -6.055 2.505 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.042 -8.324 2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.149 -8.428 1.392 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.639 -8.805 3.122 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.785 -7.064 2.985 1.00 0.00 H new ATOM 0 HE ARG A 39 6.862 -8.568 5.269 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.569 -5.384 3.699 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.032 -4.598 5.187 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.195 -7.510 7.133 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.824 -5.783 7.104 1.00 0.00 H new ATOM 573 N TRP A 40 3.465 -4.454 -0.111 1.00 0.00 N ATOM 574 CA TRP A 40 3.055 -3.103 -0.477 1.00 0.00 C ATOM 575 C TRP A 40 2.090 -2.509 0.576 1.00 0.00 C ATOM 576 O TRP A 40 1.532 -3.222 1.406 1.00 0.00 O ATOM 577 CB TRP A 40 2.440 -3.142 -1.892 1.00 0.00 C ATOM 578 CG TRP A 40 1.162 -3.960 -1.921 1.00 0.00 C ATOM 579 CD1 TRP A 40 1.062 -5.333 -2.176 1.00 0.00 C ATOM 580 CD2 TRP A 40 -0.186 -3.492 -1.698 1.00 0.00 C ATOM 581 NE1 TRP A 40 -0.242 -5.696 -2.121 1.00 0.00 N ATOM 582 CE2 TRP A 40 -1.038 -4.604 -1.831 1.00 0.00 C ATOM 583 CE3 TRP A 40 -0.717 -2.268 -1.397 1.00 0.00 C ATOM 584 CZ2 TRP A 40 -2.387 -4.471 -1.672 1.00 0.00 C ATOM 585 CZ3 TRP A 40 -2.096 -2.121 -1.222 1.00 0.00 C ATOM 586 CH2 TRP A 40 -2.934 -3.228 -1.366 1.00 0.00 C ATOM 0 H TRP A 40 2.691 -5.106 0.016 1.00 0.00 H new ATOM 0 HA TRP A 40 3.920 -2.440 -0.494 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.231 -2.126 -2.227 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.161 -3.566 -2.591 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.890 -5.995 -2.383 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -0.588 -6.643 -2.273 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.068 -1.411 -1.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.031 -5.331 -1.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.511 -1.155 -0.976 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.001 -3.121 -1.241 1.00 0.00 H new ATOM 597 N CYS A 41 1.931 -1.166 0.477 1.00 0.00 N ATOM 598 CA CYS A 41 1.016 -0.397 1.309 1.00 0.00 C ATOM 599 C CYS A 41 0.158 0.479 0.381 1.00 0.00 C ATOM 600 O CYS A 41 0.636 0.940 -0.650 1.00 0.00 O ATOM 601 CB CYS A 41 1.812 0.522 2.240 1.00 0.00 C ATOM 602 SG CYS A 41 2.724 1.802 1.316 1.00 0.00 S ATOM 0 H CYS A 41 2.446 -0.595 -0.193 1.00 0.00 H new ATOM 0 HA CYS A 41 0.397 -1.070 1.903 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.133 0.999 2.947 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.514 -0.073 2.824 1.00 0.00 H new ATOM 607 N GLY A 42 -1.112 0.701 0.770 1.00 0.00 N ATOM 608 CA GLY A 42 -1.931 1.607 -0.033 1.00 0.00 C ATOM 609 C GLY A 42 -1.477 3.042 0.267 1.00 0.00 C ATOM 610 O GLY A 42 -0.870 3.285 1.302 1.00 0.00 O ATOM 0 H GLY A 42 -1.566 0.290 1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.818 1.385 -1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.987 1.482 0.208 1.00 0.00 H new ATOM 614 N THR A 43 -1.794 3.971 -0.659 1.00 0.00 N ATOM 615 CA THR A 43 -1.386 5.366 -0.438 1.00 0.00 C ATOM 616 C THR A 43 -2.579 6.310 -0.270 1.00 0.00 C ATOM 617 O THR A 43 -2.410 7.520 -0.180 1.00 0.00 O ATOM 618 CB THR A 43 -0.448 5.850 -1.560 1.00 0.00 C ATOM 619 OG1 THR A 43 -0.472 4.974 -2.667 1.00 0.00 O ATOM 620 CG2 THR A 43 0.997 5.919 -1.062 1.00 0.00 C ATOM 0 H THR A 43 -2.305 3.792 -1.523 1.00 0.00 H new ATOM 0 HA THR A 43 -0.837 5.388 0.504 1.00 0.00 H new ATOM 0 HB THR A 43 -0.801 6.837 -1.859 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.401 4.793 -2.921 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.644 6.263 -1.869 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.061 6.614 -0.225 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.317 4.929 -0.737 1.00 0.00 H new ATOM 628 N THR A 44 -3.769 5.700 -0.202 1.00 0.00 N ATOM 629 CA THR A 44 -4.977 6.461 0.042 1.00 0.00 C ATOM 630 C THR A 44 -5.801 5.602 0.990 1.00 0.00 C ATOM 631 O THR A 44 -5.558 4.410 1.155 1.00 0.00 O ATOM 632 CB THR A 44 -5.745 6.748 -1.262 1.00 0.00 C ATOM 633 OG1 THR A 44 -6.237 5.522 -1.779 1.00 0.00 O ATOM 634 CG2 THR A 44 -4.861 7.449 -2.304 1.00 0.00 C ATOM 0 H THR A 44 -3.910 4.696 -0.312 1.00 0.00 H new ATOM 0 HA THR A 44 -4.754 7.440 0.467 1.00 0.00 H new ATOM 0 HB THR A 44 -6.571 7.423 -1.039 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.958 5.702 -2.418 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.441 7.633 -3.208 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.506 8.398 -1.901 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.008 6.814 -2.543 1.00 0.00 H new ATOM 642 N GLU A 45 -6.794 6.277 1.580 1.00 0.00 N ATOM 643 CA GLU A 45 -7.690 5.619 2.517 1.00 0.00 C ATOM 644 C GLU A 45 -8.539 4.551 1.785 1.00 0.00 C ATOM 645 O GLU A 45 -9.026 3.602 2.388 1.00 0.00 O ATOM 646 CB GLU A 45 -8.556 6.628 3.324 1.00 0.00 C ATOM 647 CG GLU A 45 -8.233 8.133 3.155 1.00 0.00 C ATOM 648 CD GLU A 45 -6.757 8.503 3.408 1.00 0.00 C ATOM 649 OE1 GLU A 45 -6.308 8.423 4.549 1.00 0.00 O ATOM 650 OE2 GLU A 45 -6.073 8.857 2.446 1.00 0.00 O ATOM 0 H GLU A 45 -6.990 7.266 1.423 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.081 5.107 3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.599 6.474 3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.466 6.380 4.382 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.503 8.438 2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.860 8.705 3.839 1.00 0.00 H new ATOM 657 N ASP A 46 -8.694 4.775 0.459 1.00 0.00 N ATOM 658 CA ASP A 46 -9.485 3.887 -0.398 1.00 0.00 C ATOM 659 C ASP A 46 -8.648 3.444 -1.620 1.00 0.00 C ATOM 660 O ASP A 46 -8.447 4.185 -2.576 1.00 0.00 O ATOM 661 CB ASP A 46 -10.797 4.588 -0.808 1.00 0.00 C ATOM 662 CG ASP A 46 -11.783 3.569 -1.375 1.00 0.00 C ATOM 663 OD1 ASP A 46 -11.466 2.889 -2.346 1.00 0.00 O ATOM 664 OD2 ASP A 46 -12.861 3.397 -0.815 1.00 0.00 O ATOM 0 H ASP A 46 -8.278 5.566 -0.032 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.754 2.985 0.152 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.236 5.089 0.055 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.590 5.358 -1.552 1.00 0.00 H new ATOM 669 N TYR A 47 -8.167 2.188 -1.527 1.00 0.00 N ATOM 670 CA TYR A 47 -7.342 1.649 -2.615 1.00 0.00 C ATOM 671 C TYR A 47 -8.205 1.311 -3.833 1.00 0.00 C ATOM 672 O TYR A 47 -7.794 1.507 -4.970 1.00 0.00 O ATOM 673 CB TYR A 47 -6.620 0.370 -2.133 1.00 0.00 C ATOM 674 CG TYR A 47 -5.686 -0.239 -3.156 1.00 0.00 C ATOM 675 CD1 TYR A 47 -6.143 -0.886 -4.306 1.00 0.00 C ATOM 676 CD2 TYR A 47 -4.319 -0.182 -2.948 1.00 0.00 C ATOM 677 CE1 TYR A 47 -5.253 -1.441 -5.212 1.00 0.00 C ATOM 678 CE2 TYR A 47 -3.437 -0.780 -3.831 1.00 0.00 C ATOM 679 CZ TYR A 47 -3.895 -1.402 -4.975 1.00 0.00 C ATOM 680 OH TYR A 47 -3.021 -1.976 -5.875 1.00 0.00 O ATOM 0 H TYR A 47 -8.328 1.555 -0.744 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.611 2.405 -2.901 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.052 0.605 -1.233 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.368 -0.372 -1.853 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.205 -0.955 -4.492 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.934 0.337 -2.083 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.626 -1.908 -6.111 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -2.378 -0.760 -3.622 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.180 -1.473 -5.880 1.00 0.00 H new ATOM 690 N ASP A 48 -9.390 0.736 -3.552 1.00 0.00 N ATOM 691 CA ASP A 48 -10.208 0.229 -4.651 1.00 0.00 C ATOM 692 C ASP A 48 -10.529 1.337 -5.672 1.00 0.00 C ATOM 693 O ASP A 48 -10.609 1.123 -6.876 1.00 0.00 O ATOM 694 CB ASP A 48 -11.495 -0.431 -4.112 1.00 0.00 C ATOM 695 CG ASP A 48 -11.213 -1.577 -3.110 1.00 0.00 C ATOM 696 OD1 ASP A 48 -10.202 -2.259 -3.245 1.00 0.00 O ATOM 697 OD2 ASP A 48 -12.009 -1.774 -2.187 1.00 0.00 O ATOM 0 H ASP A 48 -9.782 0.618 -2.618 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.632 -0.534 -5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.109 0.327 -3.625 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.074 -0.822 -4.949 1.00 0.00 H new ATOM 702 N ARG A 49 -10.697 2.543 -5.108 1.00 0.00 N ATOM 703 CA ARG A 49 -10.937 3.738 -5.897 1.00 0.00 C ATOM 704 C ARG A 49 -9.673 4.145 -6.706 1.00 0.00 C ATOM 705 O ARG A 49 -9.717 4.179 -7.934 1.00 0.00 O ATOM 706 CB ARG A 49 -11.443 4.826 -4.922 1.00 0.00 C ATOM 707 CG ARG A 49 -11.527 6.266 -5.464 1.00 0.00 C ATOM 708 CD ARG A 49 -11.505 7.333 -4.309 1.00 0.00 C ATOM 709 NE ARG A 49 -10.275 8.106 -4.454 1.00 0.00 N ATOM 710 CZ ARG A 49 -10.073 9.381 -4.075 1.00 0.00 C ATOM 711 NH1 ARG A 49 -11.061 10.109 -3.565 1.00 0.00 N ATOM 712 NH2 ARG A 49 -8.854 9.886 -4.224 1.00 0.00 N ATOM 0 H ARG A 49 -10.669 2.706 -4.101 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.697 3.572 -6.660 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.435 4.536 -4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.789 4.830 -4.050 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.692 6.448 -6.141 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.441 6.381 -6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.377 7.984 -4.371 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.540 6.845 -3.335 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.485 7.629 -4.889 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.990 9.703 -3.456 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.890 11.074 -3.283 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.108 9.311 -4.615 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.664 10.849 -3.948 1.00 0.00 H new ATOM 726 N ASP A 50 -8.592 4.478 -5.971 1.00 0.00 N ATOM 727 CA ASP A 50 -7.373 5.051 -6.567 1.00 0.00 C ATOM 728 C ASP A 50 -6.434 4.093 -7.345 1.00 0.00 C ATOM 729 O ASP A 50 -5.874 4.470 -8.366 1.00 0.00 O ATOM 730 CB ASP A 50 -6.561 5.732 -5.449 1.00 0.00 C ATOM 731 CG ASP A 50 -7.350 6.899 -4.841 1.00 0.00 C ATOM 732 OD1 ASP A 50 -7.531 7.913 -5.511 1.00 0.00 O ATOM 733 OD2 ASP A 50 -7.799 6.808 -3.704 1.00 0.00 O ATOM 0 H ASP A 50 -8.541 4.358 -4.959 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.743 5.736 -7.330 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.321 5.005 -4.673 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.615 6.096 -5.850 1.00 0.00 H new ATOM 738 N LYS A 51 -6.219 2.886 -6.787 1.00 0.00 N ATOM 739 CA LYS A 51 -5.287 1.882 -7.319 1.00 0.00 C ATOM 740 C LYS A 51 -3.837 2.373 -7.323 1.00 0.00 C ATOM 741 O LYS A 51 -3.049 2.042 -8.204 1.00 0.00 O ATOM 742 CB LYS A 51 -5.618 1.377 -8.739 1.00 0.00 C ATOM 743 CG LYS A 51 -7.006 0.719 -8.847 1.00 0.00 C ATOM 744 CD LYS A 51 -8.167 1.710 -8.739 1.00 0.00 C ATOM 745 CE LYS A 51 -9.405 1.281 -9.530 1.00 0.00 C ATOM 746 NZ LYS A 51 -10.533 2.147 -9.213 1.00 0.00 N ATOM 0 H LYS A 51 -6.698 2.580 -5.940 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.408 1.048 -6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.566 2.214 -9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.859 0.658 -9.047 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.076 0.193 -9.799 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.105 -0.030 -8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.438 1.829 -7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.837 2.686 -9.095 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.195 1.323 -10.599 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.655 0.246 -9.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.196 2.160 -10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.019 1.788 -8.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.190 3.112 -9.032 1.00 0.00 H new ATOM 760 N LYS A 52 -3.527 3.176 -6.292 1.00 0.00 N ATOM 761 CA LYS A 52 -2.172 3.694 -6.195 1.00 0.00 C ATOM 762 C LYS A 52 -1.595 3.274 -4.833 1.00 0.00 C ATOM 763 O LYS A 52 -2.246 3.405 -3.797 1.00 0.00 O ATOM 764 CB LYS A 52 -2.152 5.216 -6.424 1.00 0.00 C ATOM 765 CG LYS A 52 -2.489 5.621 -7.885 1.00 0.00 C ATOM 766 CD LYS A 52 -1.264 6.140 -8.665 1.00 0.00 C ATOM 767 CE LYS A 52 -0.809 7.540 -8.212 1.00 0.00 C ATOM 768 NZ LYS A 52 -1.552 8.628 -8.842 1.00 0.00 N ATOM 0 H LYS A 52 -4.167 3.464 -5.552 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.538 3.275 -6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.867 5.688 -5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.166 5.603 -6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.907 4.761 -8.407 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.259 6.392 -7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.439 5.439 -8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.503 6.168 -9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.917 7.616 -7.130 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.251 7.658 -8.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.396 9.508 -8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.223 8.752 -9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.567 8.400 -8.844 1.00 0.00 H new ATOM 782 N TYR A 53 -0.367 2.718 -4.913 1.00 0.00 N ATOM 783 CA TYR A 53 0.308 2.143 -3.766 1.00 0.00 C ATOM 784 C TYR A 53 1.810 2.412 -3.828 1.00 0.00 C ATOM 785 O TYR A 53 2.363 2.940 -4.792 1.00 0.00 O ATOM 786 CB TYR A 53 0.014 0.637 -3.758 1.00 0.00 C ATOM 787 CG TYR A 53 0.704 -0.152 -4.843 1.00 0.00 C ATOM 788 CD1 TYR A 53 1.965 -0.695 -4.629 1.00 0.00 C ATOM 789 CD2 TYR A 53 0.086 -0.372 -6.067 1.00 0.00 C ATOM 790 CE1 TYR A 53 2.584 -1.466 -5.598 1.00 0.00 C ATOM 791 CE2 TYR A 53 0.699 -1.146 -7.042 1.00 0.00 C ATOM 792 CZ TYR A 53 1.946 -1.704 -6.802 1.00 0.00 C ATOM 793 OH TYR A 53 2.555 -2.496 -7.753 1.00 0.00 O ATOM 0 H TYR A 53 0.169 2.663 -5.779 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.056 2.598 -2.845 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.308 0.230 -2.791 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.062 0.491 -3.852 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.470 -0.513 -3.692 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.883 0.064 -6.262 1.00 0.00 H new ATOM 0 HE1 TYR A 53 3.564 -1.881 -5.414 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.205 -1.314 -7.988 1.00 0.00 H new ATOM 0 HH TYR A 53 3.459 -2.728 -7.455 1.00 0.00 H new ATOM 803 N GLY A 54 2.415 1.963 -2.722 1.00 0.00 N ATOM 804 CA GLY A 54 3.857 2.056 -2.555 1.00 0.00 C ATOM 805 C GLY A 54 4.395 0.747 -1.992 1.00 0.00 C ATOM 806 O GLY A 54 3.610 -0.127 -1.633 1.00 0.00 O ATOM 0 H GLY A 54 1.925 1.535 -1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.330 2.273 -3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.103 2.879 -1.884 1.00 0.00 H new ATOM 810 N PHE A 55 5.747 0.636 -1.913 1.00 0.00 N ATOM 811 CA PHE A 55 6.276 -0.602 -1.346 1.00 0.00 C ATOM 812 C PHE A 55 6.512 -0.363 0.146 1.00 0.00 C ATOM 813 O PHE A 55 6.642 0.756 0.619 1.00 0.00 O ATOM 814 CB PHE A 55 7.532 -1.134 -2.053 1.00 0.00 C ATOM 815 CG PHE A 55 7.184 -1.620 -3.433 1.00 0.00 C ATOM 816 CD1 PHE A 55 6.402 -2.759 -3.604 1.00 0.00 C ATOM 817 CD2 PHE A 55 7.627 -0.934 -4.554 1.00 0.00 C ATOM 818 CE1 PHE A 55 6.059 -3.192 -4.877 1.00 0.00 C ATOM 819 CE2 PHE A 55 7.285 -1.369 -5.827 1.00 0.00 C ATOM 820 CZ PHE A 55 6.499 -2.497 -5.992 1.00 0.00 C ATOM 0 H PHE A 55 6.430 1.332 -2.211 1.00 0.00 H new ATOM 0 HA PHE A 55 5.542 -1.393 -1.499 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.284 -0.347 -2.115 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.968 -1.947 -1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.060 -3.309 -2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.243 -0.055 -4.436 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.447 -4.074 -4.999 1.00 0.00 H new ATOM 0 HE2 PHE A 55 7.633 -0.825 -6.693 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.231 -2.833 -6.983 1.00 0.00 H new ATOM 830 N CYS A 56 6.461 -1.504 0.840 1.00 0.00 N ATOM 831 CA CYS A 56 6.568 -1.524 2.307 1.00 0.00 C ATOM 832 C CYS A 56 7.966 -2.121 2.549 1.00 0.00 C ATOM 833 O CYS A 56 8.634 -2.498 1.593 1.00 0.00 O ATOM 834 CB CYS A 56 5.402 -2.403 2.854 1.00 0.00 C ATOM 835 SG CYS A 56 4.445 -1.660 4.207 1.00 0.00 S ATOM 0 H CYS A 56 6.347 -2.424 0.414 1.00 0.00 H new ATOM 0 HA CYS A 56 6.478 -0.561 2.809 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.723 -2.631 2.032 1.00 0.00 H new ATOM 0 HB3 CYS A 56 5.814 -3.351 3.199 1.00 0.00 H new ATOM 840 N PRO A 57 8.423 -2.209 3.828 1.00 0.00 N ATOM 841 CA PRO A 57 9.699 -2.874 4.088 1.00 0.00 C ATOM 842 C PRO A 57 9.498 -4.393 3.932 1.00 0.00 C ATOM 843 O PRO A 57 8.458 -4.840 3.458 1.00 0.00 O ATOM 844 CB PRO A 57 10.009 -2.469 5.537 1.00 0.00 C ATOM 845 CG PRO A 57 8.637 -2.227 6.173 1.00 0.00 C ATOM 846 CD PRO A 57 7.761 -1.703 5.032 1.00 0.00 C ATOM 0 HA PRO A 57 10.512 -2.602 3.414 1.00 0.00 H new ATOM 0 HB2 PRO A 57 10.555 -3.254 6.060 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.627 -1.572 5.574 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.229 -3.146 6.594 1.00 0.00 H new ATOM 0 HG3 PRO A 57 8.700 -1.504 6.986 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.738 -2.070 5.111 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.710 -0.614 5.034 1.00 0.00 H new ATOM 854 N GLU A 58 10.514 -5.144 4.399 1.00 0.00 N ATOM 855 CA GLU A 58 10.471 -6.606 4.352 1.00 0.00 C ATOM 856 C GLU A 58 10.573 -7.188 5.770 1.00 0.00 C ATOM 857 O GLU A 58 11.134 -8.248 6.013 1.00 0.00 O ATOM 858 CB GLU A 58 11.534 -7.128 3.370 1.00 0.00 C ATOM 859 CG GLU A 58 11.232 -6.725 1.898 1.00 0.00 C ATOM 860 CD GLU A 58 9.953 -7.394 1.340 1.00 0.00 C ATOM 861 OE1 GLU A 58 9.730 -8.565 1.638 1.00 0.00 O ATOM 862 OE2 GLU A 58 9.192 -6.744 0.617 1.00 0.00 O ATOM 0 H GLU A 58 11.365 -4.760 4.809 1.00 0.00 H new ATOM 0 HA GLU A 58 9.511 -6.949 3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.511 -6.740 3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.589 -8.214 3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.125 -5.642 1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.081 -6.997 1.271 1.00 0.00 H new ATOM 869 N THR A 59 9.964 -6.418 6.690 1.00 0.00 N ATOM 870 CA THR A 59 9.924 -6.789 8.095 1.00 0.00 C ATOM 871 C THR A 59 8.968 -7.980 8.320 1.00 0.00 C ATOM 872 O THR A 59 7.945 -8.127 7.651 1.00 0.00 O ATOM 873 CB THR A 59 9.463 -5.555 8.892 1.00 0.00 C ATOM 874 OG1 THR A 59 9.935 -4.410 8.195 1.00 0.00 O ATOM 875 CG2 THR A 59 9.968 -5.595 10.346 1.00 0.00 C ATOM 0 H THR A 59 9.496 -5.538 6.474 1.00 0.00 H new ATOM 0 HA THR A 59 10.912 -7.105 8.431 1.00 0.00 H new ATOM 0 HB THR A 59 8.376 -5.530 8.964 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.659 -3.600 8.672 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.622 -4.707 10.876 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.582 -6.486 10.841 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.058 -5.620 10.352 1.00 0.00 H new ATOM 883 N ALA A 60 9.365 -8.789 9.312 1.00 0.00 N ATOM 884 CA ALA A 60 8.614 -9.952 9.744 1.00 0.00 C ATOM 885 C ALA A 60 9.016 -10.240 11.200 1.00 0.00 C ATOM 886 O ALA A 60 10.044 -9.719 11.639 1.00 0.00 O ATOM 887 CB ALA A 60 8.938 -11.150 8.844 1.00 0.00 C ATOM 888 OXT ALA A 60 8.298 -10.973 11.876 1.00 0.00 O ATOM 0 H ALA A 60 10.228 -8.643 9.836 1.00 0.00 H new ATOM 0 HA ALA A 60 7.541 -9.771 9.677 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.369 -12.019 9.176 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.671 -10.914 7.814 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.004 -11.370 8.901 1.00 0.00 H new TER 894 ALA A 60