USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 630 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 9 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.65) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot -46:sc= 0.481 USER MOD Single : A 20 THR OG1 : rot -120:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.00064) USER MOD Single : A 46 SER OG : rot -58:sc= 0.0287 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0317 X(o=-0.032,f=-0.068) USER MOD Single : A 57 THR OG1 : rot 51:sc= 0.00161 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.28) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.307 -0.581 -2.688 1.00 0.00 N ATOM 2 CA MET A 1 2.558 0.040 -1.557 1.00 0.00 C ATOM 3 C MET A 1 1.226 0.736 -1.966 1.00 0.00 C ATOM 4 O MET A 1 0.193 0.469 -1.348 1.00 0.00 O ATOM 5 CB MET A 1 3.504 0.967 -0.736 1.00 0.00 C ATOM 6 CG MET A 1 4.139 0.279 0.486 1.00 0.00 C ATOM 7 SD MET A 1 2.836 -0.151 1.660 1.00 0.00 S ATOM 8 CE MET A 1 3.789 -1.066 2.880 1.00 0.00 C ATOM 0 H1 MET A 1 4.178 -1.020 -2.328 1.00 0.00 H new ATOM 0 H2 MET A 1 2.715 -1.306 -3.140 1.00 0.00 H new ATOM 0 H3 MET A 1 3.551 0.150 -3.386 1.00 0.00 H new ATOM 0 HA MET A 1 2.227 -0.775 -0.913 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.297 1.332 -1.389 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.942 1.838 -0.400 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.678 -0.617 0.176 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.866 0.942 0.956 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.129 -1.404 3.678 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.255 -1.929 2.405 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.561 -0.420 3.297 1.00 0.00 H new ATOM 18 N TYR A 2 1.250 1.624 -2.979 1.00 0.00 N ATOM 19 CA TYR A 2 0.039 2.322 -3.512 1.00 0.00 C ATOM 20 C TYR A 2 -0.469 3.512 -2.613 1.00 0.00 C ATOM 21 O TYR A 2 -0.196 3.605 -1.413 1.00 0.00 O ATOM 22 CB TYR A 2 -1.133 1.384 -3.969 1.00 0.00 C ATOM 23 CG TYR A 2 -0.798 0.085 -4.725 1.00 0.00 C ATOM 24 CD1 TYR A 2 -0.198 0.116 -5.988 1.00 0.00 C ATOM 25 CD2 TYR A 2 -1.070 -1.149 -4.124 1.00 0.00 C ATOM 26 CE1 TYR A 2 0.154 -1.073 -6.626 1.00 0.00 C ATOM 27 CE2 TYR A 2 -0.727 -2.335 -4.767 1.00 0.00 C ATOM 28 CZ TYR A 2 -0.110 -2.297 -6.013 1.00 0.00 C ATOM 29 OH TYR A 2 0.228 -3.471 -6.631 1.00 0.00 O ATOM 0 H TYR A 2 2.110 1.886 -3.461 1.00 0.00 H new ATOM 0 HA TYR A 2 0.415 2.769 -4.432 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -1.701 1.110 -3.080 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -1.797 1.972 -4.603 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -0.007 1.063 -6.470 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -1.548 -1.181 -3.156 1.00 0.00 H new ATOM 0 HE1 TYR A 2 0.631 -1.046 -7.595 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -0.940 -3.285 -4.298 1.00 0.00 H new ATOM 0 HH TYR A 2 -0.028 -4.226 -6.061 1.00 0.00 H new ATOM 39 N LEU A 3 -1.220 4.439 -3.229 1.00 0.00 N ATOM 40 CA LEU A 3 -1.687 5.700 -2.597 1.00 0.00 C ATOM 41 C LEU A 3 -3.159 6.010 -3.038 1.00 0.00 C ATOM 42 O LEU A 3 -3.491 5.992 -4.226 1.00 0.00 O ATOM 43 CB LEU A 3 -0.670 6.804 -3.018 1.00 0.00 C ATOM 44 CG LEU A 3 -0.855 8.217 -2.412 1.00 0.00 C ATOM 45 CD1 LEU A 3 -0.698 8.238 -0.880 1.00 0.00 C ATOM 46 CD2 LEU A 3 0.174 9.184 -3.023 1.00 0.00 C ATOM 0 H LEU A 3 -1.529 4.339 -4.196 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.718 5.636 -1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.330 6.456 -2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.705 6.897 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.873 8.526 -2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.838 9.255 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.444 7.584 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.300 7.890 -0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.040 10.177 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.181 8.828 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.031 9.233 -4.102 1.00 0.00 H new ATOM 58 N THR A 4 -4.046 6.342 -2.082 1.00 0.00 N ATOM 59 CA THR A 4 -5.485 6.671 -2.357 1.00 0.00 C ATOM 60 C THR A 4 -5.688 7.912 -3.303 1.00 0.00 C ATOM 61 O THR A 4 -4.891 8.850 -3.284 1.00 0.00 O ATOM 62 CB THR A 4 -6.181 6.837 -0.964 1.00 0.00 C ATOM 63 OG1 THR A 4 -6.046 5.644 -0.198 1.00 0.00 O ATOM 64 CG2 THR A 4 -7.692 7.119 -0.976 1.00 0.00 C ATOM 0 H THR A 4 -3.800 6.394 -1.093 1.00 0.00 H new ATOM 0 HA THR A 4 -5.946 5.861 -2.922 1.00 0.00 H new ATOM 0 HB THR A 4 -5.672 7.708 -0.552 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.484 5.762 0.671 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.053 7.213 0.048 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.885 8.047 -1.515 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.211 6.298 -1.470 1.00 0.00 H new ATOM 72 N LEU A 5 -6.767 7.929 -4.114 1.00 0.00 N ATOM 73 CA LEU A 5 -7.034 8.995 -5.137 1.00 0.00 C ATOM 74 C LEU A 5 -6.992 10.474 -4.619 1.00 0.00 C ATOM 75 O LEU A 5 -6.243 11.292 -5.163 1.00 0.00 O ATOM 76 CB LEU A 5 -8.347 8.583 -5.875 1.00 0.00 C ATOM 77 CG LEU A 5 -8.747 9.349 -7.171 1.00 0.00 C ATOM 78 CD1 LEU A 5 -9.751 8.522 -7.998 1.00 0.00 C ATOM 79 CD2 LEU A 5 -9.390 10.721 -6.916 1.00 0.00 C ATOM 0 H LEU A 5 -7.487 7.207 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.203 9.035 -5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.267 7.526 -6.127 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.169 8.680 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.809 9.505 -7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.020 9.072 -8.900 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.298 7.570 -8.275 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.647 8.338 -7.405 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.639 11.189 -7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.298 10.593 -6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.690 11.355 -6.372 1.00 0.00 H new ATOM 91 N GLN A 6 -7.739 10.805 -3.548 1.00 0.00 N ATOM 92 CA GLN A 6 -7.610 12.121 -2.850 1.00 0.00 C ATOM 93 C GLN A 6 -6.228 12.414 -2.167 1.00 0.00 C ATOM 94 O GLN A 6 -5.751 13.552 -2.223 1.00 0.00 O ATOM 95 CB GLN A 6 -8.787 12.282 -1.849 1.00 0.00 C ATOM 96 CG GLN A 6 -9.086 13.757 -1.464 1.00 0.00 C ATOM 97 CD GLN A 6 -10.187 13.951 -0.413 1.00 0.00 C ATOM 98 OE1 GLN A 6 -11.070 13.127 -0.201 1.00 0.00 O ATOM 99 NE2 GLN A 6 -10.189 15.073 0.266 1.00 0.00 N ATOM 0 H GLN A 6 -8.440 10.187 -3.140 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.657 12.876 -3.635 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.684 11.841 -2.284 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.561 11.719 -0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -8.168 14.211 -1.092 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.368 14.300 -2.366 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.462 15.769 0.102 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.918 15.249 0.958 1.00 0.00 H new ATOM 108 N GLU A 7 -5.576 11.406 -1.556 1.00 0.00 N ATOM 109 CA GLU A 7 -4.167 11.526 -1.078 1.00 0.00 C ATOM 110 C GLU A 7 -3.117 11.768 -2.217 1.00 0.00 C ATOM 111 O GLU A 7 -2.280 12.660 -2.072 1.00 0.00 O ATOM 112 CB GLU A 7 -3.796 10.302 -0.192 1.00 0.00 C ATOM 113 CG GLU A 7 -4.629 10.065 1.098 1.00 0.00 C ATOM 114 CD GLU A 7 -4.504 11.091 2.230 1.00 0.00 C ATOM 115 OE1 GLU A 7 -3.934 12.176 2.142 1.00 0.00 O ATOM 116 OE2 GLU A 7 -5.105 10.653 3.370 1.00 0.00 O ATOM 0 H GLU A 7 -5.996 10.494 -1.377 1.00 0.00 H new ATOM 0 HA GLU A 7 -4.122 12.431 -0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.871 9.406 -0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.750 10.403 0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.679 10.008 0.812 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.355 9.089 1.499 1.00 0.00 H new ATOM 123 N TRP A 8 -3.195 11.054 -3.360 1.00 0.00 N ATOM 124 CA TRP A 8 -2.474 11.416 -4.616 1.00 0.00 C ATOM 125 C TRP A 8 -2.738 12.872 -5.127 1.00 0.00 C ATOM 126 O TRP A 8 -1.775 13.606 -5.354 1.00 0.00 O ATOM 127 CB TRP A 8 -2.769 10.311 -5.672 1.00 0.00 C ATOM 128 CG TRP A 8 -1.946 10.447 -6.962 1.00 0.00 C ATOM 129 CD1 TRP A 8 -0.635 9.966 -7.156 1.00 0.00 C ATOM 130 CD2 TRP A 8 -2.263 11.140 -8.124 1.00 0.00 C ATOM 131 NE1 TRP A 8 -0.121 10.364 -8.402 1.00 0.00 N ATOM 132 CE2 TRP A 8 -1.147 11.068 -8.993 1.00 0.00 C ATOM 133 CE3 TRP A 8 -3.421 11.863 -8.507 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -1.176 11.713 -10.252 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -3.424 12.498 -9.749 1.00 0.00 C ATOM 136 CH2 TRP A 8 -2.321 12.426 -10.608 1.00 0.00 C ATOM 0 H TRP A 8 -3.758 10.208 -3.446 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.404 11.444 -4.408 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.571 9.336 -5.228 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.829 10.337 -5.924 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.094 9.367 -6.438 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.806 10.174 -8.784 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.279 11.921 -7.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.331 11.655 -10.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.296 13.057 -10.054 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.357 12.931 -11.562 1.00 0.00 H new ATOM 147 N ASN A 9 -4.009 13.304 -5.251 1.00 0.00 N ATOM 148 CA ASN A 9 -4.372 14.728 -5.516 1.00 0.00 C ATOM 149 C ASN A 9 -3.717 15.787 -4.557 1.00 0.00 C ATOM 150 O ASN A 9 -3.156 16.774 -5.036 1.00 0.00 O ATOM 151 CB ASN A 9 -5.929 14.780 -5.506 1.00 0.00 C ATOM 152 CG ASN A 9 -6.585 16.023 -6.119 1.00 0.00 C ATOM 153 OD1 ASN A 9 -6.041 16.739 -6.952 1.00 0.00 O ATOM 154 ND2 ASN A 9 -7.797 16.332 -5.728 1.00 0.00 N ATOM 0 H ASN A 9 -4.816 12.686 -5.172 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.960 15.027 -6.480 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.301 13.903 -6.036 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.265 14.694 -4.473 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.265 17.151 -6.116 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.273 15.753 -5.036 1.00 0.00 H new ATOM 161 N ALA A 10 -3.732 15.554 -3.228 1.00 0.00 N ATOM 162 CA ALA A 10 -2.926 16.341 -2.259 1.00 0.00 C ATOM 163 C ALA A 10 -1.366 16.279 -2.383 1.00 0.00 C ATOM 164 O ALA A 10 -0.710 17.306 -2.196 1.00 0.00 O ATOM 165 CB ALA A 10 -3.425 15.945 -0.856 1.00 0.00 C ATOM 0 H ALA A 10 -4.296 14.823 -2.795 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.091 17.394 -2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.864 16.496 -0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.485 16.183 -0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.279 14.875 -0.707 1.00 0.00 H new ATOM 171 N ARG A 11 -0.773 15.116 -2.716 1.00 0.00 N ATOM 172 CA ARG A 11 0.674 15.012 -3.080 1.00 0.00 C ATOM 173 C ARG A 11 1.091 15.699 -4.431 1.00 0.00 C ATOM 174 O ARG A 11 2.224 16.182 -4.513 1.00 0.00 O ATOM 175 CB ARG A 11 1.144 13.524 -2.999 1.00 0.00 C ATOM 176 CG ARG A 11 1.591 13.010 -1.601 1.00 0.00 C ATOM 177 CD ARG A 11 0.439 12.759 -0.614 1.00 0.00 C ATOM 178 NE ARG A 11 0.940 12.422 0.747 1.00 0.00 N ATOM 179 CZ ARG A 11 0.215 12.507 1.866 1.00 0.00 C ATOM 180 NH1 ARG A 11 -1.051 12.846 1.880 1.00 0.00 N ATOM 181 NH2 ARG A 11 0.789 12.242 3.003 1.00 0.00 N ATOM 0 H ARG A 11 -1.268 14.225 -2.744 1.00 0.00 H new ATOM 0 HA ARG A 11 1.205 15.602 -2.333 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.330 12.890 -3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.974 13.391 -3.692 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.150 12.083 -1.731 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.276 13.736 -1.163 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.193 13.646 -0.560 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.185 11.945 -0.983 1.00 0.00 H new ATOM 0 HE ARG A 11 1.905 12.104 0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.531 13.061 1.006 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.556 12.895 2.765 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.773 11.976 3.028 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.255 12.301 3.870 1.00 0.00 H new ATOM 195 N GLN A 12 0.220 15.807 -5.460 1.00 0.00 N ATOM 196 CA GLN A 12 0.494 16.635 -6.675 1.00 0.00 C ATOM 197 C GLN A 12 0.342 18.180 -6.404 1.00 0.00 C ATOM 198 O GLN A 12 -0.596 18.828 -6.880 1.00 0.00 O ATOM 199 CB GLN A 12 -0.419 16.168 -7.852 1.00 0.00 C ATOM 200 CG GLN A 12 -0.372 14.695 -8.332 1.00 0.00 C ATOM 201 CD GLN A 12 0.988 14.136 -8.755 1.00 0.00 C ATOM 202 OE1 GLN A 12 1.464 14.336 -9.868 1.00 0.00 O ATOM 203 NE2 GLN A 12 1.622 13.375 -7.898 1.00 0.00 N ATOM 0 H GLN A 12 -0.683 15.333 -5.481 1.00 0.00 H new ATOM 0 HA GLN A 12 1.537 16.481 -6.953 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.449 16.384 -7.568 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.187 16.797 -8.712 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.760 14.067 -7.530 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.055 14.593 -9.175 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.226 13.209 -6.973 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.512 12.948 -8.156 1.00 0.00 H new ATOM 212 N ARG A 13 1.279 18.774 -5.630 1.00 0.00 N ATOM 213 CA ARG A 13 1.207 20.194 -5.152 1.00 0.00 C ATOM 214 C ARG A 13 0.038 20.514 -4.155 1.00 0.00 C ATOM 215 O ARG A 13 0.286 20.743 -2.968 1.00 0.00 O ATOM 216 CB ARG A 13 1.365 21.236 -6.308 1.00 0.00 C ATOM 217 CG ARG A 13 2.817 21.500 -6.768 1.00 0.00 C ATOM 218 CD ARG A 13 2.875 22.362 -8.044 1.00 0.00 C ATOM 219 NE ARG A 13 4.255 22.875 -8.280 1.00 0.00 N ATOM 220 CZ ARG A 13 4.699 24.095 -7.964 1.00 0.00 C ATOM 221 NH1 ARG A 13 3.967 25.005 -7.368 1.00 0.00 N ATOM 222 NH2 ARG A 13 5.929 24.402 -8.260 1.00 0.00 N ATOM 0 H ARG A 13 2.117 18.287 -5.312 1.00 0.00 H new ATOM 0 HA ARG A 13 2.091 20.308 -4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.787 20.892 -7.166 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.926 22.180 -5.986 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.364 22.000 -5.969 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.317 20.549 -6.951 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.551 21.772 -8.901 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.183 23.199 -7.954 1.00 0.00 H new ATOM 0 HE ARG A 13 4.919 22.239 -8.722 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.000 24.799 -7.119 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.365 25.919 -7.153 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.528 23.718 -8.722 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.293 25.326 -8.030 1.00 0.00 H new ATOM 236 N ARG A 14 -1.210 20.584 -4.645 1.00 0.00 N ATOM 237 CA ARG A 14 -2.418 20.838 -3.811 1.00 0.00 C ATOM 238 C ARG A 14 -3.666 20.090 -4.402 1.00 0.00 C ATOM 239 O ARG A 14 -3.757 19.948 -5.630 1.00 0.00 O ATOM 240 CB ARG A 14 -2.723 22.365 -3.717 1.00 0.00 C ATOM 241 CG ARG A 14 -2.007 23.114 -2.565 1.00 0.00 C ATOM 242 CD ARG A 14 -2.473 24.573 -2.365 1.00 0.00 C ATOM 243 NE ARG A 14 -3.867 24.624 -1.834 1.00 0.00 N ATOM 244 CZ ARG A 14 -4.609 25.722 -1.700 1.00 0.00 C ATOM 245 NH1 ARG A 14 -4.173 26.927 -1.965 1.00 0.00 N ATOM 246 NH2 ARG A 14 -5.835 25.588 -1.280 1.00 0.00 N ATOM 0 H ARG A 14 -1.421 20.467 -5.636 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.213 20.459 -2.810 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -2.444 22.833 -4.661 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.799 22.497 -3.601 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.165 22.565 -1.637 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.934 23.111 -2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.799 25.082 -1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.422 25.108 -3.314 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.289 23.740 -1.549 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.217 27.063 -2.294 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.789 27.731 -1.843 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.202 24.661 -1.064 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.428 26.410 -1.167 1.00 0.00 H new ATOM 260 N PRO A 15 -4.697 19.672 -3.604 1.00 0.00 N ATOM 261 CA PRO A 15 -5.917 19.041 -4.162 1.00 0.00 C ATOM 262 C PRO A 15 -6.896 20.081 -4.798 1.00 0.00 C ATOM 263 O PRO A 15 -7.452 20.927 -4.090 1.00 0.00 O ATOM 264 CB PRO A 15 -6.470 18.312 -2.922 1.00 0.00 C ATOM 265 CG PRO A 15 -6.069 19.183 -1.727 1.00 0.00 C ATOM 266 CD PRO A 15 -4.736 19.819 -2.131 1.00 0.00 C ATOM 0 HA PRO A 15 -5.741 18.370 -5.003 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.553 18.201 -2.982 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.051 17.309 -2.836 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.823 19.943 -1.522 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -5.963 18.586 -0.821 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.688 20.867 -1.834 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.894 19.314 -1.658 1.00 0.00 H new ATOM 274 N ARG A 16 -7.106 20.025 -6.129 1.00 0.00 N ATOM 275 CA ARG A 16 -8.009 20.991 -6.828 1.00 0.00 C ATOM 276 C ARG A 16 -9.521 20.792 -6.470 1.00 0.00 C ATOM 277 O ARG A 16 -10.068 21.585 -5.701 1.00 0.00 O ATOM 278 CB ARG A 16 -7.727 21.022 -8.362 1.00 0.00 C ATOM 279 CG ARG A 16 -6.526 21.891 -8.813 1.00 0.00 C ATOM 280 CD ARG A 16 -6.504 22.173 -10.338 1.00 0.00 C ATOM 281 NE ARG A 16 -6.707 23.613 -10.681 1.00 0.00 N ATOM 282 CZ ARG A 16 -7.885 24.218 -10.857 1.00 0.00 C ATOM 283 NH1 ARG A 16 -9.039 23.623 -10.690 1.00 0.00 N ATOM 284 NH2 ARG A 16 -7.890 25.471 -11.211 1.00 0.00 N ATOM 0 H ARG A 16 -6.674 19.335 -6.743 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.771 21.985 -6.449 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.559 20.000 -8.701 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.622 21.383 -8.869 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.552 22.840 -8.277 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.600 21.391 -8.531 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.550 21.841 -10.747 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.281 21.580 -10.820 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.870 24.186 -10.791 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.072 22.643 -10.410 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.906 24.140 -10.840 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.009 25.966 -11.347 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.775 25.958 -11.352 1.00 0.00 H new ATOM 298 N SER A 17 -10.204 19.772 -7.027 1.00 0.00 N ATOM 299 CA SER A 17 -11.646 19.501 -6.723 1.00 0.00 C ATOM 300 C SER A 17 -12.103 18.009 -6.911 1.00 0.00 C ATOM 301 O SER A 17 -13.301 17.767 -7.088 1.00 0.00 O ATOM 302 CB SER A 17 -12.493 20.494 -7.577 1.00 0.00 C ATOM 303 OG SER A 17 -13.868 20.504 -7.188 1.00 0.00 O ATOM 0 H SER A 17 -9.791 19.116 -7.690 1.00 0.00 H new ATOM 0 HA SER A 17 -11.804 19.663 -5.657 1.00 0.00 H new ATOM 0 HB2 SER A 17 -12.082 21.498 -7.477 1.00 0.00 H new ATOM 0 HB3 SER A 17 -12.417 20.221 -8.630 1.00 0.00 H new ATOM 0 HG SER A 17 -14.184 19.583 -7.079 1.00 0.00 H new ATOM 309 N LEU A 18 -11.200 16.993 -6.904 1.00 0.00 N ATOM 310 CA LEU A 18 -11.526 15.563 -7.256 1.00 0.00 C ATOM 311 C LEU A 18 -11.926 15.306 -8.755 1.00 0.00 C ATOM 312 O LEU A 18 -11.321 14.470 -9.433 1.00 0.00 O ATOM 313 CB LEU A 18 -12.468 14.894 -6.205 1.00 0.00 C ATOM 314 CG LEU A 18 -11.782 14.515 -4.861 1.00 0.00 C ATOM 315 CD1 LEU A 18 -12.704 14.720 -3.650 1.00 0.00 C ATOM 316 CD2 LEU A 18 -11.304 13.057 -4.892 1.00 0.00 C ATOM 0 H LEU A 18 -10.220 17.131 -6.655 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.575 15.035 -7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.295 15.572 -5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.897 13.993 -6.644 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.929 15.185 -4.749 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.175 14.440 -2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.000 15.767 -3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.592 14.098 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.827 12.810 -3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.157 12.398 -5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.588 12.926 -5.703 1.00 0.00 H new ATOM 328 N GLU A 19 -12.896 16.072 -9.279 1.00 0.00 N ATOM 329 CA GLU A 19 -13.229 16.168 -10.732 1.00 0.00 C ATOM 330 C GLU A 19 -12.050 16.485 -11.719 1.00 0.00 C ATOM 331 O GLU A 19 -12.055 15.967 -12.837 1.00 0.00 O ATOM 332 CB GLU A 19 -14.370 17.213 -10.901 1.00 0.00 C ATOM 333 CG GLU A 19 -15.710 16.887 -10.188 1.00 0.00 C ATOM 334 CD GLU A 19 -16.806 17.917 -10.446 1.00 0.00 C ATOM 335 OE1 GLU A 19 -16.670 19.025 -9.657 1.00 0.00 O ATOM 336 OE2 GLU A 19 -17.698 17.757 -11.274 1.00 0.00 O ATOM 0 H GLU A 19 -13.493 16.662 -8.699 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.529 15.162 -11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -14.011 18.174 -10.533 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.569 17.333 -11.966 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.058 15.908 -10.517 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -15.533 16.818 -9.115 1.00 0.00 H new ATOM 343 N THR A 20 -11.032 17.274 -11.316 1.00 0.00 N ATOM 344 CA THR A 20 -9.739 17.403 -12.063 1.00 0.00 C ATOM 345 C THR A 20 -8.988 16.045 -12.292 1.00 0.00 C ATOM 346 O THR A 20 -8.683 15.702 -13.437 1.00 0.00 O ATOM 347 CB THR A 20 -8.848 18.479 -11.355 1.00 0.00 C ATOM 348 OG1 THR A 20 -9.498 19.747 -11.302 1.00 0.00 O ATOM 349 CG2 THR A 20 -7.490 18.732 -12.027 1.00 0.00 C ATOM 0 H THR A 20 -11.071 17.842 -10.469 1.00 0.00 H new ATOM 0 HA THR A 20 -9.972 17.736 -13.075 1.00 0.00 H new ATOM 0 HB THR A 20 -8.685 18.053 -10.365 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.956 20.412 -11.775 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.943 19.491 -11.468 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.914 17.807 -12.042 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.648 19.078 -13.049 1.00 0.00 H new ATOM 357 N VAL A 21 -8.738 15.267 -11.223 1.00 0.00 N ATOM 358 CA VAL A 21 -8.193 13.873 -11.328 1.00 0.00 C ATOM 359 C VAL A 21 -9.123 12.902 -12.137 1.00 0.00 C ATOM 360 O VAL A 21 -8.636 12.172 -13.003 1.00 0.00 O ATOM 361 CB VAL A 21 -7.821 13.324 -9.905 1.00 0.00 C ATOM 362 CG1 VAL A 21 -7.212 11.901 -9.926 1.00 0.00 C ATOM 363 CG2 VAL A 21 -6.826 14.228 -9.143 1.00 0.00 C ATOM 0 H VAL A 21 -8.902 15.570 -10.263 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.276 13.923 -11.916 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.783 13.305 -9.392 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.981 11.589 -8.908 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.927 11.205 -10.365 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.298 11.905 -10.521 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.611 13.791 -8.168 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.901 14.314 -9.714 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.263 15.218 -9.009 1.00 0.00 H new ATOM 373 N ARG A 22 -10.447 12.932 -11.899 1.00 0.00 N ATOM 374 CA ARG A 22 -11.453 12.246 -12.758 1.00 0.00 C ATOM 375 C ARG A 22 -11.403 12.610 -14.288 1.00 0.00 C ATOM 376 O ARG A 22 -11.444 11.699 -15.120 1.00 0.00 O ATOM 377 CB ARG A 22 -12.861 12.479 -12.124 1.00 0.00 C ATOM 378 CG ARG A 22 -13.804 11.259 -12.028 1.00 0.00 C ATOM 379 CD ARG A 22 -14.162 10.570 -13.362 1.00 0.00 C ATOM 380 NE ARG A 22 -15.373 9.709 -13.221 1.00 0.00 N ATOM 381 CZ ARG A 22 -15.408 8.478 -12.706 1.00 0.00 C ATOM 382 NH1 ARG A 22 -14.345 7.831 -12.299 1.00 0.00 N ATOM 383 NH2 ARG A 22 -16.565 7.891 -12.596 1.00 0.00 N ATOM 0 H ARG A 22 -10.858 13.429 -11.109 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.207 11.184 -12.771 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.717 12.874 -11.118 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.367 13.253 -12.701 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.343 10.520 -11.373 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.729 11.578 -11.547 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.338 11.325 -14.128 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.320 9.965 -13.698 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.257 10.098 -13.549 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.425 8.267 -12.367 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.436 6.891 -11.914 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.412 8.372 -12.900 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.625 6.950 -12.206 1.00 0.00 H new ATOM 397 N ARG A 23 -11.260 13.903 -14.660 1.00 0.00 N ATOM 398 CA ARG A 23 -10.946 14.319 -16.059 1.00 0.00 C ATOM 399 C ARG A 23 -9.556 13.858 -16.611 1.00 0.00 C ATOM 400 O ARG A 23 -9.489 13.416 -17.758 1.00 0.00 O ATOM 401 CB ARG A 23 -11.150 15.853 -16.239 1.00 0.00 C ATOM 402 CG ARG A 23 -11.687 16.226 -17.646 1.00 0.00 C ATOM 403 CD ARG A 23 -11.849 17.737 -17.909 1.00 0.00 C ATOM 404 NE ARG A 23 -10.622 18.306 -18.535 1.00 0.00 N ATOM 405 CZ ARG A 23 -10.541 19.506 -19.115 1.00 0.00 C ATOM 406 NH1 ARG A 23 -11.505 20.394 -19.083 1.00 0.00 N ATOM 407 NH2 ARG A 23 -9.448 19.815 -19.750 1.00 0.00 N ATOM 0 H ARG A 23 -11.356 14.684 -14.012 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.665 13.778 -16.675 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.846 16.214 -15.482 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.202 16.364 -16.070 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.012 15.814 -18.396 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.654 15.743 -17.788 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -12.706 17.906 -18.561 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.055 18.253 -16.971 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.778 17.734 -18.519 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.376 20.184 -18.596 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.384 21.295 -19.546 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.679 19.147 -19.796 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.361 20.725 -20.202 1.00 0.00 H new ATOM 421 N TRP A 24 -8.469 13.926 -15.819 1.00 0.00 N ATOM 422 CA TRP A 24 -7.154 13.305 -16.171 1.00 0.00 C ATOM 423 C TRP A 24 -7.172 11.751 -16.415 1.00 0.00 C ATOM 424 O TRP A 24 -6.540 11.276 -17.365 1.00 0.00 O ATOM 425 CB TRP A 24 -6.104 13.698 -15.094 1.00 0.00 C ATOM 426 CG TRP A 24 -5.757 15.185 -14.868 1.00 0.00 C ATOM 427 CD1 TRP A 24 -6.141 16.310 -15.641 1.00 0.00 C ATOM 428 CD2 TRP A 24 -4.990 15.701 -13.836 1.00 0.00 C ATOM 429 NE1 TRP A 24 -5.599 17.507 -15.134 1.00 0.00 N ATOM 430 CE2 TRP A 24 -4.886 17.103 -14.017 1.00 0.00 C ATOM 431 CE3 TRP A 24 -4.388 15.078 -12.713 1.00 0.00 C ATOM 432 CZ2 TRP A 24 -4.171 17.889 -13.083 1.00 0.00 C ATOM 433 CZ3 TRP A 24 -3.695 15.874 -11.800 1.00 0.00 C ATOM 434 CH2 TRP A 24 -3.586 17.258 -11.983 1.00 0.00 C ATOM 0 H TRP A 24 -8.465 14.407 -14.920 1.00 0.00 H new ATOM 0 HA TRP A 24 -6.883 13.709 -17.146 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.449 13.296 -14.141 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.176 13.181 -15.340 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -6.774 16.255 -16.515 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -5.706 18.452 -15.503 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.464 14.011 -12.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -4.079 18.957 -13.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -3.235 15.415 -10.938 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.040 17.848 -11.261 1.00 0.00 H new ATOM 445 N VAL A 25 -7.924 10.979 -15.603 1.00 0.00 N ATOM 446 CA VAL A 25 -8.228 9.535 -15.869 1.00 0.00 C ATOM 447 C VAL A 25 -9.115 9.323 -17.151 1.00 0.00 C ATOM 448 O VAL A 25 -8.740 8.529 -18.017 1.00 0.00 O ATOM 449 CB VAL A 25 -8.802 8.864 -14.567 1.00 0.00 C ATOM 450 CG1 VAL A 25 -9.210 7.381 -14.749 1.00 0.00 C ATOM 451 CG2 VAL A 25 -7.819 8.882 -13.367 1.00 0.00 C ATOM 0 H VAL A 25 -8.343 11.328 -14.741 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.298 9.021 -16.113 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.676 9.482 -14.363 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.596 6.991 -13.807 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.982 7.307 -15.515 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.340 6.799 -15.053 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.286 8.402 -12.507 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.909 8.344 -13.634 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.570 9.913 -13.116 1.00 0.00 H new ATOM 461 N ARG A 26 -10.245 10.043 -17.304 1.00 0.00 N ATOM 462 CA ARG A 26 -11.033 10.094 -18.580 1.00 0.00 C ATOM 463 C ARG A 26 -10.247 10.471 -19.884 1.00 0.00 C ATOM 464 O ARG A 26 -10.437 9.819 -20.913 1.00 0.00 O ATOM 465 CB ARG A 26 -12.235 11.057 -18.364 1.00 0.00 C ATOM 466 CG ARG A 26 -13.402 10.511 -17.495 1.00 0.00 C ATOM 467 CD ARG A 26 -14.596 9.960 -18.304 1.00 0.00 C ATOM 468 NE ARG A 26 -15.361 11.076 -18.938 1.00 0.00 N ATOM 469 CZ ARG A 26 -15.998 11.023 -20.109 1.00 0.00 C ATOM 470 NH1 ARG A 26 -16.118 9.934 -20.826 1.00 0.00 N ATOM 471 NH2 ARG A 26 -16.536 12.118 -20.566 1.00 0.00 N ATOM 0 H ARG A 26 -10.647 10.609 -16.556 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.348 9.069 -18.776 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.863 11.972 -17.903 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.634 11.332 -19.340 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.019 9.720 -16.850 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.758 11.309 -16.843 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.237 9.276 -19.072 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.253 9.388 -17.649 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.400 11.959 -18.429 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.711 9.059 -20.496 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.618 9.961 -21.714 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.463 12.984 -20.031 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -17.030 12.110 -21.458 1.00 0.00 H new ATOM 485 N GLU A 27 -9.342 11.467 -19.838 1.00 0.00 N ATOM 486 CA GLU A 27 -8.345 11.723 -20.921 1.00 0.00 C ATOM 487 C GLU A 27 -7.268 10.601 -21.190 1.00 0.00 C ATOM 488 O GLU A 27 -6.552 10.681 -22.190 1.00 0.00 O ATOM 489 CB GLU A 27 -7.689 13.093 -20.554 1.00 0.00 C ATOM 490 CG GLU A 27 -6.922 13.833 -21.679 1.00 0.00 C ATOM 491 CD GLU A 27 -7.802 14.387 -22.798 1.00 0.00 C ATOM 492 OE1 GLU A 27 -8.265 15.639 -22.525 1.00 0.00 O ATOM 493 OE2 GLU A 27 -8.064 13.777 -23.828 1.00 0.00 O ATOM 0 H GLU A 27 -9.273 12.120 -19.057 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.871 11.730 -21.876 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.473 13.756 -20.187 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.999 12.927 -19.727 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.361 14.656 -21.236 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.194 13.148 -22.114 1.00 0.00 H new ATOM 500 N SER A 28 -7.136 9.577 -20.317 1.00 0.00 N ATOM 501 CA SER A 28 -6.094 8.507 -20.400 1.00 0.00 C ATOM 502 C SER A 28 -4.609 8.998 -20.320 1.00 0.00 C ATOM 503 O SER A 28 -3.743 8.541 -21.073 1.00 0.00 O ATOM 504 CB SER A 28 -6.401 7.527 -21.564 1.00 0.00 C ATOM 505 OG SER A 28 -7.708 6.966 -21.438 1.00 0.00 O ATOM 0 H SER A 28 -7.758 9.461 -19.517 1.00 0.00 H new ATOM 0 HA SER A 28 -6.171 7.935 -19.475 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.318 8.052 -22.516 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.659 6.728 -21.575 1.00 0.00 H new ATOM 0 HG SER A 28 -7.875 6.354 -22.185 1.00 0.00 H new ATOM 511 N ARG A 29 -4.309 9.914 -19.377 1.00 0.00 N ATOM 512 CA ARG A 29 -2.938 10.476 -19.202 1.00 0.00 C ATOM 513 C ARG A 29 -2.458 10.393 -17.716 1.00 0.00 C ATOM 514 O ARG A 29 -2.052 11.394 -17.125 1.00 0.00 O ATOM 515 CB ARG A 29 -2.891 11.915 -19.794 1.00 0.00 C ATOM 516 CG ARG A 29 -3.112 12.017 -21.328 1.00 0.00 C ATOM 517 CD ARG A 29 -2.594 13.304 -21.995 1.00 0.00 C ATOM 518 NE ARG A 29 -3.259 14.526 -21.464 1.00 0.00 N ATOM 519 CZ ARG A 29 -3.036 15.768 -21.898 1.00 0.00 C ATOM 520 NH1 ARG A 29 -2.247 16.053 -22.904 1.00 0.00 N ATOM 521 NH2 ARG A 29 -3.635 16.751 -21.294 1.00 0.00 N ATOM 0 H ARG A 29 -4.994 10.286 -18.719 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.224 9.869 -19.758 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.649 12.519 -19.295 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.923 12.356 -19.554 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.628 11.164 -21.803 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.180 11.931 -21.529 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.518 13.383 -21.840 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.757 13.243 -23.071 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.937 14.404 -20.711 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.764 15.305 -23.401 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.116 17.023 -23.190 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.258 16.563 -20.508 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.482 17.710 -21.606 1.00 0.00 H new ATOM 535 N ILE A 30 -2.447 9.181 -17.137 1.00 0.00 N ATOM 536 CA ILE A 30 -1.989 8.910 -15.739 1.00 0.00 C ATOM 537 C ILE A 30 -1.119 7.613 -15.822 1.00 0.00 C ATOM 538 O ILE A 30 -1.628 6.554 -16.210 1.00 0.00 O ATOM 539 CB ILE A 30 -3.225 8.767 -14.770 1.00 0.00 C ATOM 540 CG1 ILE A 30 -4.050 10.073 -14.551 1.00 0.00 C ATOM 541 CG2 ILE A 30 -2.898 8.137 -13.390 1.00 0.00 C ATOM 542 CD1 ILE A 30 -3.297 11.267 -13.938 1.00 0.00 C ATOM 0 H ILE A 30 -2.758 8.340 -17.624 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.398 9.728 -15.326 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.849 8.068 -15.326 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.457 10.384 -15.513 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.897 9.837 -13.907 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.807 8.079 -12.792 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.494 7.135 -13.534 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.163 8.754 -12.873 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.977 12.113 -13.836 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.913 10.990 -12.956 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.467 11.545 -14.587 1.00 0.00 H new ATOM 554 N PHE A 31 0.175 7.680 -15.447 1.00 0.00 N ATOM 555 CA PHE A 31 1.092 6.508 -15.528 1.00 0.00 C ATOM 556 C PHE A 31 1.983 6.320 -14.240 1.00 0.00 C ATOM 557 O PHE A 31 2.582 7.305 -13.785 1.00 0.00 O ATOM 558 CB PHE A 31 1.942 6.630 -16.825 1.00 0.00 C ATOM 559 CG PHE A 31 2.685 5.344 -17.221 1.00 0.00 C ATOM 560 CD1 PHE A 31 2.013 4.323 -17.903 1.00 0.00 C ATOM 561 CD2 PHE A 31 4.010 5.146 -16.820 1.00 0.00 C ATOM 562 CE1 PHE A 31 2.652 3.112 -18.158 1.00 0.00 C ATOM 563 CE2 PHE A 31 4.648 3.935 -17.076 1.00 0.00 C ATOM 564 CZ PHE A 31 3.968 2.918 -17.742 1.00 0.00 C ATOM 0 H PHE A 31 0.614 8.527 -15.085 1.00 0.00 H new ATOM 0 HA PHE A 31 0.489 5.601 -15.573 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.289 6.925 -17.646 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.670 7.430 -16.693 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.996 4.475 -18.233 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.541 5.936 -16.309 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.128 2.324 -18.678 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.669 3.784 -16.758 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.462 1.977 -17.936 1.00 0.00 H new ATOM 574 N PRO A 32 2.164 5.088 -13.664 1.00 0.00 N ATOM 575 CA PRO A 32 1.430 3.850 -14.059 1.00 0.00 C ATOM 576 C PRO A 32 -0.090 3.822 -13.638 1.00 0.00 C ATOM 577 O PRO A 32 -0.469 4.540 -12.703 1.00 0.00 O ATOM 578 CB PRO A 32 2.293 2.741 -13.428 1.00 0.00 C ATOM 579 CG PRO A 32 2.955 3.392 -12.218 1.00 0.00 C ATOM 580 CD PRO A 32 3.205 4.837 -12.649 1.00 0.00 C ATOM 0 HA PRO A 32 1.328 3.745 -15.139 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.683 1.887 -13.132 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.037 2.372 -14.133 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.310 3.346 -11.340 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.886 2.889 -11.957 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.118 5.526 -11.809 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.205 4.963 -13.063 1.00 0.00 H new ATOM 588 N PRO A 33 -1.001 3.057 -14.312 1.00 0.00 N ATOM 589 CA PRO A 33 -2.467 3.150 -14.062 1.00 0.00 C ATOM 590 C PRO A 33 -2.959 2.669 -12.645 1.00 0.00 C ATOM 591 O PRO A 33 -2.383 1.713 -12.110 1.00 0.00 O ATOM 592 CB PRO A 33 -3.049 2.315 -15.222 1.00 0.00 C ATOM 593 CG PRO A 33 -1.942 1.328 -15.601 1.00 0.00 C ATOM 594 CD PRO A 33 -0.655 2.128 -15.408 1.00 0.00 C ATOM 0 HA PRO A 33 -2.803 4.187 -14.039 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.955 1.792 -14.915 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.318 2.949 -16.067 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.961 0.443 -14.965 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.048 0.984 -16.630 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.184 1.485 -15.142 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.372 2.662 -16.315 1.00 0.00 H new ATOM 602 N PRO A 34 -4.006 3.273 -12.004 1.00 0.00 N ATOM 603 CA PRO A 34 -4.426 2.891 -10.629 1.00 0.00 C ATOM 604 C PRO A 34 -5.120 1.497 -10.489 1.00 0.00 C ATOM 605 O PRO A 34 -5.896 1.060 -11.344 1.00 0.00 O ATOM 606 CB PRO A 34 -5.345 4.066 -10.244 1.00 0.00 C ATOM 607 CG PRO A 34 -5.894 4.616 -11.560 1.00 0.00 C ATOM 608 CD PRO A 34 -4.734 4.443 -12.537 1.00 0.00 C ATOM 0 HA PRO A 34 -3.571 2.747 -9.969 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.153 3.733 -9.592 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.792 4.832 -9.700 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.777 4.067 -11.886 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.186 5.662 -11.466 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.088 4.267 -13.553 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.101 5.329 -12.569 1.00 0.00 H new ATOM 616 N VAL A 35 -4.848 0.821 -9.360 1.00 0.00 N ATOM 617 CA VAL A 35 -5.397 -0.533 -9.059 1.00 0.00 C ATOM 618 C VAL A 35 -6.874 -0.383 -8.564 1.00 0.00 C ATOM 619 O VAL A 35 -7.128 0.092 -7.452 1.00 0.00 O ATOM 620 CB VAL A 35 -4.474 -1.296 -8.040 1.00 0.00 C ATOM 621 CG1 VAL A 35 -5.001 -2.702 -7.658 1.00 0.00 C ATOM 622 CG2 VAL A 35 -3.020 -1.493 -8.533 1.00 0.00 C ATOM 0 H VAL A 35 -4.244 1.188 -8.625 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.410 -1.146 -9.960 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.489 -0.635 -7.174 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.314 -3.169 -6.952 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.985 -2.609 -7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.075 -3.318 -8.554 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.448 -2.027 -7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.024 -2.071 -9.457 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.563 -0.520 -8.715 1.00 0.00 H new ATOM 632 N LYS A 36 -7.839 -0.802 -9.400 1.00 0.00 N ATOM 633 CA LYS A 36 -9.286 -0.763 -9.056 1.00 0.00 C ATOM 634 C LYS A 36 -9.668 -1.954 -8.125 1.00 0.00 C ATOM 635 O LYS A 36 -9.694 -3.112 -8.554 1.00 0.00 O ATOM 636 CB LYS A 36 -10.080 -0.740 -10.389 1.00 0.00 C ATOM 637 CG LYS A 36 -11.582 -0.385 -10.273 1.00 0.00 C ATOM 638 CD LYS A 36 -12.512 -1.589 -10.017 1.00 0.00 C ATOM 639 CE LYS A 36 -13.992 -1.183 -9.976 1.00 0.00 C ATOM 640 NZ LYS A 36 -14.833 -2.381 -9.791 1.00 0.00 N ATOM 0 H LYS A 36 -7.648 -1.176 -10.329 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.535 0.132 -8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.607 -0.022 -11.059 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.993 -1.720 -10.859 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.710 0.334 -9.464 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.896 0.110 -11.192 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.363 -2.333 -10.799 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.241 -2.061 -9.073 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.163 -0.478 -9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.265 -0.675 -10.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.834 -2.101 -9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.679 -3.039 -10.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.580 -2.848 -8.897 1.00 0.00 H new ATOM 653 N ASP A 37 -9.953 -1.659 -6.846 1.00 0.00 N ATOM 654 CA ASP A 37 -10.142 -2.709 -5.807 1.00 0.00 C ATOM 655 C ASP A 37 -11.371 -2.351 -4.919 1.00 0.00 C ATOM 656 O ASP A 37 -11.300 -1.440 -4.088 1.00 0.00 O ATOM 657 CB ASP A 37 -8.814 -2.845 -5.004 1.00 0.00 C ATOM 658 CG ASP A 37 -8.509 -4.265 -4.534 1.00 0.00 C ATOM 659 OD1 ASP A 37 -9.401 -4.713 -3.609 1.00 0.00 O ATOM 660 OD2 ASP A 37 -7.571 -4.933 -4.953 1.00 0.00 O ATOM 0 H ASP A 37 -10.059 -0.706 -6.498 1.00 0.00 H new ATOM 0 HA ASP A 37 -10.360 -3.680 -6.251 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.990 -2.495 -5.625 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.859 -2.189 -4.135 1.00 0.00 H new ATOM 665 N GLY A 38 -12.520 -3.025 -5.128 1.00 0.00 N ATOM 666 CA GLY A 38 -13.788 -2.700 -4.402 1.00 0.00 C ATOM 667 C GLY A 38 -14.370 -1.271 -4.560 1.00 0.00 C ATOM 668 O GLY A 38 -14.723 -0.641 -3.563 1.00 0.00 O ATOM 0 H GLY A 38 -12.607 -3.797 -5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.550 -3.409 -4.726 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.620 -2.877 -3.340 1.00 0.00 H new ATOM 672 N ARG A 39 -14.427 -0.752 -5.802 1.00 0.00 N ATOM 673 CA ARG A 39 -14.646 0.704 -6.085 1.00 0.00 C ATOM 674 C ARG A 39 -13.560 1.732 -5.569 1.00 0.00 C ATOM 675 O ARG A 39 -13.801 2.942 -5.619 1.00 0.00 O ATOM 676 CB ARG A 39 -16.117 1.110 -5.750 1.00 0.00 C ATOM 677 CG ARG A 39 -16.682 2.336 -6.525 1.00 0.00 C ATOM 678 CD ARG A 39 -17.579 3.272 -5.686 1.00 0.00 C ATOM 679 NE ARG A 39 -18.864 2.640 -5.264 1.00 0.00 N ATOM 680 CZ ARG A 39 -19.989 2.605 -5.980 1.00 0.00 C ATOM 681 NH1 ARG A 39 -20.101 3.117 -7.180 1.00 0.00 N ATOM 682 NH2 ARG A 39 -21.032 2.027 -5.459 1.00 0.00 N ATOM 0 H ARG A 39 -14.324 -1.318 -6.644 1.00 0.00 H new ATOM 0 HA ARG A 39 -14.486 0.794 -7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -16.762 0.254 -5.945 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -16.180 1.320 -4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -15.847 2.914 -6.921 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -17.255 1.976 -7.380 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -17.031 3.590 -4.799 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -17.797 4.169 -6.265 1.00 0.00 H new ATOM 0 HE ARG A 39 -18.883 2.195 -4.346 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -19.300 3.574 -7.616 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -20.989 3.059 -7.678 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -20.975 1.616 -4.527 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -21.906 1.985 -5.983 1.00 0.00 H new ATOM 696 N GLU A 40 -12.356 1.301 -5.137 1.00 0.00 N ATOM 697 CA GLU A 40 -11.263 2.218 -4.725 1.00 0.00 C ATOM 698 C GLU A 40 -10.108 2.118 -5.765 1.00 0.00 C ATOM 699 O GLU A 40 -9.426 1.093 -5.864 1.00 0.00 O ATOM 700 CB GLU A 40 -10.855 1.862 -3.271 1.00 0.00 C ATOM 701 CG GLU A 40 -9.830 2.846 -2.652 1.00 0.00 C ATOM 702 CD GLU A 40 -9.538 2.648 -1.166 1.00 0.00 C ATOM 703 OE1 GLU A 40 -9.044 1.404 -0.896 1.00 0.00 O ATOM 704 OE2 GLU A 40 -9.708 3.525 -0.324 1.00 0.00 O ATOM 0 H GLU A 40 -12.111 0.314 -5.063 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.571 3.263 -4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.749 1.842 -2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.434 0.857 -3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.893 2.760 -3.202 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.195 3.863 -2.800 1.00 0.00 H new ATOM 711 N TYR A 41 -9.883 3.205 -6.521 1.00 0.00 N ATOM 712 CA TYR A 41 -8.715 3.326 -7.436 1.00 0.00 C ATOM 713 C TYR A 41 -7.440 3.738 -6.635 1.00 0.00 C ATOM 714 O TYR A 41 -7.265 4.903 -6.259 1.00 0.00 O ATOM 715 CB TYR A 41 -9.053 4.352 -8.556 1.00 0.00 C ATOM 716 CG TYR A 41 -9.915 3.822 -9.712 1.00 0.00 C ATOM 717 CD1 TYR A 41 -9.324 3.085 -10.742 1.00 0.00 C ATOM 718 CD2 TYR A 41 -11.284 4.112 -9.773 1.00 0.00 C ATOM 719 CE1 TYR A 41 -10.081 2.671 -11.835 1.00 0.00 C ATOM 720 CE2 TYR A 41 -12.044 3.677 -10.858 1.00 0.00 C ATOM 721 CZ TYR A 41 -11.441 2.964 -11.890 1.00 0.00 C ATOM 722 OH TYR A 41 -12.180 2.522 -12.954 1.00 0.00 O ATOM 0 H TYR A 41 -10.494 4.022 -6.523 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.503 2.364 -7.902 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -9.568 5.199 -8.103 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.118 4.731 -8.969 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -8.275 2.835 -10.690 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -11.752 4.674 -8.978 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -9.613 2.123 -12.640 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.101 3.893 -10.898 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.112 2.806 -12.846 1.00 0.00 H new ATOM 732 N LEU A 42 -6.558 2.760 -6.377 1.00 0.00 N ATOM 733 CA LEU A 42 -5.294 2.987 -5.629 1.00 0.00 C ATOM 734 C LEU A 42 -4.145 3.321 -6.631 1.00 0.00 C ATOM 735 O LEU A 42 -3.644 2.453 -7.352 1.00 0.00 O ATOM 736 CB LEU A 42 -4.979 1.735 -4.762 1.00 0.00 C ATOM 737 CG LEU A 42 -5.944 1.390 -3.595 1.00 0.00 C ATOM 738 CD1 LEU A 42 -5.559 0.031 -2.984 1.00 0.00 C ATOM 739 CD2 LEU A 42 -5.935 2.462 -2.489 1.00 0.00 C ATOM 0 H LEU A 42 -6.691 1.794 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.395 3.839 -4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.937 0.872 -5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.981 1.863 -4.342 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.950 1.350 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.239 -0.206 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.626 -0.744 -3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.538 0.079 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.626 2.173 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.929 2.553 -2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.243 3.420 -2.908 1.00 0.00 H new ATOM 751 N PHE A 43 -3.730 4.596 -6.672 1.00 0.00 N ATOM 752 CA PHE A 43 -2.617 5.076 -7.543 1.00 0.00 C ATOM 753 C PHE A 43 -1.235 4.530 -7.062 1.00 0.00 C ATOM 754 O PHE A 43 -1.101 4.046 -5.939 1.00 0.00 O ATOM 755 CB PHE A 43 -2.667 6.641 -7.545 1.00 0.00 C ATOM 756 CG PHE A 43 -3.761 7.311 -8.410 1.00 0.00 C ATOM 757 CD1 PHE A 43 -5.122 7.112 -8.144 1.00 0.00 C ATOM 758 CD2 PHE A 43 -3.394 8.156 -9.464 1.00 0.00 C ATOM 759 CE1 PHE A 43 -6.090 7.689 -8.957 1.00 0.00 C ATOM 760 CE2 PHE A 43 -4.369 8.790 -10.231 1.00 0.00 C ATOM 761 CZ PHE A 43 -5.715 8.540 -9.990 1.00 0.00 C ATOM 0 H PHE A 43 -4.149 5.334 -6.106 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.739 4.701 -8.559 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.797 6.976 -6.516 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.698 7.010 -7.880 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.421 6.506 -7.301 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.349 8.317 -9.684 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.135 7.476 -8.786 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.079 9.476 -11.013 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.470 9.007 -10.606 1.00 0.00 H new ATOM 771 N HIS A 44 -0.177 4.608 -7.879 1.00 0.00 N ATOM 772 CA HIS A 44 1.203 4.345 -7.379 1.00 0.00 C ATOM 773 C HIS A 44 1.765 5.567 -6.570 1.00 0.00 C ATOM 774 O HIS A 44 1.493 6.735 -6.873 1.00 0.00 O ATOM 775 CB HIS A 44 2.058 3.900 -8.599 1.00 0.00 C ATOM 776 CG HIS A 44 3.528 3.558 -8.341 1.00 0.00 C ATOM 777 ND1 HIS A 44 4.000 2.781 -7.299 1.00 0.00 N ATOM 778 CD2 HIS A 44 4.612 4.095 -9.055 1.00 0.00 C ATOM 779 CE1 HIS A 44 5.349 2.970 -7.455 1.00 0.00 C ATOM 780 NE2 HIS A 44 5.821 3.736 -8.484 1.00 0.00 N ATOM 0 H HIS A 44 -0.233 4.845 -8.870 1.00 0.00 H new ATOM 0 HA HIS A 44 1.224 3.537 -6.648 1.00 0.00 H new ATOM 0 HB2 HIS A 44 1.582 3.026 -9.043 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.023 4.695 -9.343 1.00 0.00 H new ATOM 0 HD2 HIS A 44 4.515 4.710 -9.937 1.00 0.00 H new ATOM 0 HE1 HIS A 44 6.041 2.512 -6.763 1.00 0.00 H new ATOM 0 HE2 HIS A 44 6.777 3.972 -8.751 1.00 0.00 H new ATOM 788 N GLU A 45 2.601 5.276 -5.555 1.00 0.00 N ATOM 789 CA GLU A 45 3.407 6.306 -4.828 1.00 0.00 C ATOM 790 C GLU A 45 4.238 7.290 -5.725 1.00 0.00 C ATOM 791 O GLU A 45 4.212 8.495 -5.469 1.00 0.00 O ATOM 792 CB GLU A 45 4.310 5.583 -3.785 1.00 0.00 C ATOM 793 CG GLU A 45 3.594 4.929 -2.571 1.00 0.00 C ATOM 794 CD GLU A 45 2.967 5.876 -1.542 1.00 0.00 C ATOM 795 OE1 GLU A 45 3.067 7.100 -1.554 1.00 0.00 O ATOM 796 OE2 GLU A 45 2.272 5.192 -0.594 1.00 0.00 O ATOM 0 H GLU A 45 2.745 4.328 -5.208 1.00 0.00 H new ATOM 0 HA GLU A 45 2.690 6.967 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.875 4.808 -4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.033 6.304 -3.404 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.810 4.275 -2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.314 4.295 -2.054 1.00 0.00 H new ATOM 803 N SER A 46 4.905 6.800 -6.792 1.00 0.00 N ATOM 804 CA SER A 46 5.405 7.668 -7.895 1.00 0.00 C ATOM 805 C SER A 46 4.533 7.596 -9.204 1.00 0.00 C ATOM 806 O SER A 46 5.045 7.331 -10.296 1.00 0.00 O ATOM 807 CB SER A 46 6.901 7.326 -8.096 1.00 0.00 C ATOM 808 OG SER A 46 7.524 8.303 -8.930 1.00 0.00 O ATOM 0 H SER A 46 5.113 5.809 -6.918 1.00 0.00 H new ATOM 0 HA SER A 46 5.309 8.719 -7.622 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.405 7.287 -7.130 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.998 6.338 -8.546 1.00 0.00 H new ATOM 0 HG SER A 46 7.060 8.341 -9.792 1.00 0.00 H new ATOM 814 N ALA A 47 3.211 7.864 -9.120 1.00 0.00 N ATOM 815 CA ALA A 47 2.358 8.094 -10.320 1.00 0.00 C ATOM 816 C ALA A 47 2.355 9.587 -10.769 1.00 0.00 C ATOM 817 O ALA A 47 2.266 10.512 -9.954 1.00 0.00 O ATOM 818 CB ALA A 47 0.941 7.547 -10.057 1.00 0.00 C ATOM 0 H ALA A 47 2.706 7.928 -8.236 1.00 0.00 H new ATOM 0 HA ALA A 47 2.784 7.546 -11.160 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.317 7.715 -10.935 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.996 6.478 -9.851 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.506 8.060 -9.199 1.00 0.00 H new ATOM 824 N VAL A 48 2.459 9.803 -12.087 1.00 0.00 N ATOM 825 CA VAL A 48 2.538 11.163 -12.703 1.00 0.00 C ATOM 826 C VAL A 48 1.624 11.240 -13.975 1.00 0.00 C ATOM 827 O VAL A 48 1.186 10.226 -14.534 1.00 0.00 O ATOM 828 CB VAL A 48 4.023 11.605 -12.985 1.00 0.00 C ATOM 829 CG1 VAL A 48 4.853 11.834 -11.702 1.00 0.00 C ATOM 830 CG2 VAL A 48 4.816 10.685 -13.944 1.00 0.00 C ATOM 0 H VAL A 48 2.492 9.047 -12.770 1.00 0.00 H new ATOM 0 HA VAL A 48 2.155 11.886 -11.982 1.00 0.00 H new ATOM 0 HB VAL A 48 3.883 12.558 -13.496 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.865 12.136 -11.972 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.388 12.617 -11.103 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.892 10.910 -11.124 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.825 11.076 -14.072 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.867 9.680 -13.525 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.315 10.650 -14.911 1.00 0.00 H new ATOM 840 N LYS A 49 1.334 12.463 -14.457 1.00 0.00 N ATOM 841 CA LYS A 49 0.476 12.664 -15.658 1.00 0.00 C ATOM 842 C LYS A 49 1.296 12.480 -16.980 1.00 0.00 C ATOM 843 O LYS A 49 2.232 13.244 -17.243 1.00 0.00 O ATOM 844 CB LYS A 49 -0.242 14.045 -15.640 1.00 0.00 C ATOM 845 CG LYS A 49 -0.994 14.473 -14.348 1.00 0.00 C ATOM 846 CD LYS A 49 -0.210 15.471 -13.466 1.00 0.00 C ATOM 847 CE LYS A 49 -0.228 16.910 -14.016 1.00 0.00 C ATOM 848 NZ LYS A 49 0.695 17.764 -13.243 1.00 0.00 N ATOM 0 H LYS A 49 1.676 13.329 -14.041 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.296 11.896 -15.626 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.504 14.809 -15.858 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.959 14.056 -16.460 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.948 14.921 -14.627 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.220 13.584 -13.760 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.632 15.468 -12.461 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.823 15.135 -13.379 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.061 16.909 -15.067 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.239 17.314 -13.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.674 18.732 -13.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.402 17.778 -12.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.661 17.385 -13.315 1.00 0.00 H new ATOM 861 N VAL A 50 0.964 11.470 -17.809 1.00 0.00 N ATOM 862 CA VAL A 50 1.763 11.143 -19.034 1.00 0.00 C ATOM 863 C VAL A 50 1.290 11.962 -20.284 1.00 0.00 C ATOM 864 O VAL A 50 0.213 11.726 -20.839 1.00 0.00 O ATOM 865 CB VAL A 50 1.884 9.594 -19.256 1.00 0.00 C ATOM 866 CG1 VAL A 50 0.584 8.843 -19.623 1.00 0.00 C ATOM 867 CG2 VAL A 50 2.966 9.228 -20.298 1.00 0.00 C ATOM 0 H VAL A 50 0.156 10.864 -17.665 1.00 0.00 H new ATOM 0 HA VAL A 50 2.788 11.476 -18.870 1.00 0.00 H new ATOM 0 HB VAL A 50 2.166 9.252 -18.260 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.800 7.782 -19.750 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.148 8.972 -18.826 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.182 9.245 -20.553 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.008 8.145 -20.413 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.718 9.686 -21.256 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.935 9.595 -19.960 1.00 0.00 H new ATOM 877 N ASP A 51 2.120 12.915 -20.739 1.00 0.00 N ATOM 878 CA ASP A 51 1.868 13.688 -21.991 1.00 0.00 C ATOM 879 C ASP A 51 2.448 12.984 -23.268 1.00 0.00 C ATOM 880 O ASP A 51 3.330 12.123 -23.197 1.00 0.00 O ATOM 881 CB ASP A 51 2.418 15.128 -21.796 1.00 0.00 C ATOM 882 CG ASP A 51 1.607 15.982 -20.819 1.00 0.00 C ATOM 883 OD1 ASP A 51 0.495 16.437 -21.074 1.00 0.00 O ATOM 884 OD2 ASP A 51 2.250 16.164 -19.632 1.00 0.00 O ATOM 0 H ASP A 51 2.982 13.179 -20.261 1.00 0.00 H new ATOM 0 HA ASP A 51 0.794 13.736 -22.172 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.447 15.067 -21.440 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.444 15.629 -22.764 1.00 0.00 H new ATOM 889 N LEU A 52 1.928 13.356 -24.455 1.00 0.00 N ATOM 890 CA LEU A 52 2.315 12.722 -25.748 1.00 0.00 C ATOM 891 C LEU A 52 3.786 13.004 -26.217 1.00 0.00 C ATOM 892 O LEU A 52 4.295 14.123 -26.097 1.00 0.00 O ATOM 893 CB LEU A 52 1.240 13.063 -26.829 1.00 0.00 C ATOM 894 CG LEU A 52 1.283 14.432 -27.573 1.00 0.00 C ATOM 895 CD1 LEU A 52 0.242 14.450 -28.706 1.00 0.00 C ATOM 896 CD2 LEU A 52 1.052 15.649 -26.661 1.00 0.00 C ATOM 0 H LEU A 52 1.234 14.097 -24.553 1.00 0.00 H new ATOM 0 HA LEU A 52 2.329 11.644 -25.586 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.285 12.281 -27.587 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.264 12.986 -26.350 1.00 0.00 H new ATOM 0 HG LEU A 52 2.295 14.521 -27.968 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.280 15.411 -29.220 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.461 13.651 -29.414 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.754 14.301 -28.288 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.097 16.562 -27.254 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.072 15.570 -26.190 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.823 15.678 -25.891 1.00 0.00 H new ATOM 908 N ASN A 53 4.455 11.982 -26.781 1.00 0.00 N ATOM 909 CA ASN A 53 5.872 12.085 -27.228 1.00 0.00 C ATOM 910 C ASN A 53 6.047 12.842 -28.590 1.00 0.00 C ATOM 911 O ASN A 53 5.726 12.320 -29.662 1.00 0.00 O ATOM 912 CB ASN A 53 6.530 10.674 -27.199 1.00 0.00 C ATOM 913 CG ASN A 53 5.903 9.554 -28.047 1.00 0.00 C ATOM 914 OD1 ASN A 53 4.977 8.871 -27.625 1.00 0.00 O ATOM 915 ND2 ASN A 53 6.363 9.335 -29.254 1.00 0.00 N ATOM 0 H ASN A 53 4.040 11.064 -26.943 1.00 0.00 H new ATOM 0 HA ASN A 53 6.408 12.718 -26.521 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.568 10.786 -27.513 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.545 10.336 -26.163 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.951 8.602 -29.832 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.133 9.897 -29.616 1.00 0.00 H new ATOM 922 N ARG A 54 6.571 14.078 -28.538 1.00 0.00 N ATOM 923 CA ARG A 54 6.773 14.932 -29.743 1.00 0.00 C ATOM 924 C ARG A 54 8.179 15.626 -29.670 1.00 0.00 C ATOM 925 O ARG A 54 8.261 16.726 -29.109 1.00 0.00 O ATOM 926 CB ARG A 54 5.561 15.913 -29.886 1.00 0.00 C ATOM 927 CG ARG A 54 4.529 15.519 -30.979 1.00 0.00 C ATOM 928 CD ARG A 54 4.688 16.283 -32.317 1.00 0.00 C ATOM 929 NE ARG A 54 4.104 17.658 -32.251 1.00 0.00 N ATOM 930 CZ ARG A 54 2.807 17.958 -32.386 1.00 0.00 C ATOM 931 NH1 ARG A 54 1.892 17.079 -32.714 1.00 0.00 N ATOM 932 NH2 ARG A 54 2.428 19.185 -32.173 1.00 0.00 N ATOM 0 H ARG A 54 6.868 14.521 -27.669 1.00 0.00 H new ATOM 0 HA ARG A 54 6.790 14.338 -30.657 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.047 15.976 -28.927 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.943 16.909 -30.109 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.615 14.450 -31.173 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.525 15.693 -30.593 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.746 16.350 -32.572 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.203 15.721 -33.115 1.00 0.00 H new ATOM 0 HE ARG A 54 4.748 18.432 -32.090 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.155 16.108 -32.881 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.917 17.366 -32.802 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.114 19.892 -31.910 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.445 19.439 -32.269 1.00 0.00 H new ATOM 946 N PRO A 55 9.304 15.059 -30.211 1.00 0.00 N ATOM 947 CA PRO A 55 10.636 15.726 -30.170 1.00 0.00 C ATOM 948 C PRO A 55 10.814 16.878 -31.214 1.00 0.00 C ATOM 949 O PRO A 55 10.247 16.860 -32.313 1.00 0.00 O ATOM 950 CB PRO A 55 11.586 14.534 -30.401 1.00 0.00 C ATOM 951 CG PRO A 55 10.794 13.560 -31.276 1.00 0.00 C ATOM 952 CD PRO A 55 9.353 13.695 -30.782 1.00 0.00 C ATOM 0 HA PRO A 55 10.817 16.261 -29.238 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.504 14.851 -30.895 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.875 14.071 -29.457 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.878 13.816 -32.332 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.159 12.539 -31.165 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.638 13.576 -31.596 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.114 12.939 -30.034 1.00 0.00 H new ATOM 960 N VAL A 56 11.626 17.885 -30.855 1.00 0.00 N ATOM 961 CA VAL A 56 11.845 19.095 -31.705 1.00 0.00 C ATOM 962 C VAL A 56 12.914 18.848 -32.821 1.00 0.00 C ATOM 963 O VAL A 56 14.062 18.488 -32.541 1.00 0.00 O ATOM 964 CB VAL A 56 12.160 20.377 -30.854 1.00 0.00 C ATOM 965 CG1 VAL A 56 10.955 20.845 -30.008 1.00 0.00 C ATOM 966 CG2 VAL A 56 13.410 20.304 -29.943 1.00 0.00 C ATOM 0 H VAL A 56 12.150 17.897 -29.980 1.00 0.00 H new ATOM 0 HA VAL A 56 10.901 19.289 -32.214 1.00 0.00 H new ATOM 0 HB VAL A 56 12.386 21.109 -31.630 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.232 21.734 -29.441 1.00 0.00 H new ATOM 0 HG12 VAL A 56 10.118 21.080 -30.666 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.664 20.052 -29.319 1.00 0.00 H new ATOM 0 HG21 VAL A 56 13.525 21.246 -29.406 1.00 0.00 H new ATOM 0 HG22 VAL A 56 13.292 19.491 -29.227 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.295 20.124 -30.553 1.00 0.00 H new ATOM 976 N THR A 57 12.549 19.098 -34.091 1.00 0.00 N ATOM 977 CA THR A 57 13.515 19.061 -35.235 1.00 0.00 C ATOM 978 C THR A 57 14.176 20.466 -35.442 1.00 0.00 C ATOM 979 O THR A 57 13.817 21.237 -36.337 1.00 0.00 O ATOM 980 CB THR A 57 12.852 18.471 -36.522 1.00 0.00 C ATOM 981 OG1 THR A 57 11.637 19.135 -36.849 1.00 0.00 O ATOM 982 CG2 THR A 57 12.529 16.970 -36.442 1.00 0.00 C ATOM 0 H THR A 57 11.594 19.329 -34.365 1.00 0.00 H new ATOM 0 HA THR A 57 14.329 18.377 -34.994 1.00 0.00 H new ATOM 0 HB THR A 57 13.612 18.628 -37.288 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.787 20.103 -36.864 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.072 16.646 -37.377 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.448 16.409 -36.273 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.838 16.790 -35.619 1.00 0.00 H new ATOM 990 N GLY A 58 15.158 20.792 -34.580 1.00 0.00 N ATOM 991 CA GLY A 58 15.836 22.115 -34.590 1.00 0.00 C ATOM 992 C GLY A 58 17.062 22.187 -35.523 1.00 0.00 C ATOM 993 O GLY A 58 18.048 21.475 -35.318 1.00 0.00 O ATOM 0 H GLY A 58 15.506 20.157 -33.861 1.00 0.00 H new ATOM 0 HA2 GLY A 58 15.118 22.877 -34.892 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.150 22.358 -33.575 1.00 0.00 H new ATOM 997 N SER A 59 17.009 23.072 -36.529 1.00 0.00 N ATOM 998 CA SER A 59 18.114 23.238 -37.512 1.00 0.00 C ATOM 999 C SER A 59 19.343 24.009 -36.923 1.00 0.00 C ATOM 1000 O SER A 59 19.212 25.144 -36.453 1.00 0.00 O ATOM 1001 CB SER A 59 17.525 23.944 -38.756 1.00 0.00 C ATOM 1002 OG SER A 59 18.437 23.891 -39.852 1.00 0.00 O ATOM 0 H SER A 59 16.214 23.690 -36.692 1.00 0.00 H new ATOM 0 HA SER A 59 18.510 22.259 -37.784 1.00 0.00 H new ATOM 0 HB2 SER A 59 16.585 23.470 -39.037 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.299 24.983 -38.516 1.00 0.00 H new ATOM 0 HG SER A 59 18.043 24.342 -40.628 1.00 0.00 H new ATOM 1008 N LEU A 60 20.537 23.387 -36.946 1.00 0.00 N ATOM 1009 CA LEU A 60 21.780 24.000 -36.395 1.00 0.00 C ATOM 1010 C LEU A 60 22.365 25.116 -37.326 1.00 0.00 C ATOM 1011 O LEU A 60 22.738 24.855 -38.474 1.00 0.00 O ATOM 1012 CB LEU A 60 22.830 22.878 -36.091 1.00 0.00 C ATOM 1013 CG LEU A 60 23.091 22.587 -34.589 1.00 0.00 C ATOM 1014 CD1 LEU A 60 21.915 21.850 -33.922 1.00 0.00 C ATOM 1015 CD2 LEU A 60 24.377 21.762 -34.407 1.00 0.00 C ATOM 0 H LEU A 60 20.676 22.457 -37.340 1.00 0.00 H new ATOM 0 HA LEU A 60 21.525 24.503 -35.462 1.00 0.00 H new ATOM 0 HB2 LEU A 60 22.497 21.956 -36.568 1.00 0.00 H new ATOM 0 HB3 LEU A 60 23.775 23.155 -36.558 1.00 0.00 H new ATOM 0 HG LEU A 60 23.204 23.555 -34.102 1.00 0.00 H new ATOM 0 HD11 LEU A 60 22.147 21.670 -32.872 1.00 0.00 H new ATOM 0 HD12 LEU A 60 21.015 22.460 -33.995 1.00 0.00 H new ATOM 0 HD13 LEU A 60 21.750 20.898 -34.426 1.00 0.00 H new ATOM 0 HD21 LEU A 60 24.539 21.570 -33.346 1.00 0.00 H new ATOM 0 HD22 LEU A 60 24.279 20.814 -34.936 1.00 0.00 H new ATOM 0 HD23 LEU A 60 25.225 22.316 -34.809 1.00 0.00 H new ATOM 1027 N LEU A 61 22.484 26.351 -36.806 1.00 0.00 N ATOM 1028 CA LEU A 61 23.073 27.496 -37.557 1.00 0.00 C ATOM 1029 C LEU A 61 24.635 27.399 -37.630 1.00 0.00 C ATOM 1030 O LEU A 61 25.311 27.238 -36.608 1.00 0.00 O ATOM 1031 CB LEU A 61 22.642 28.845 -36.905 1.00 0.00 C ATOM 1032 CG LEU A 61 21.224 29.385 -37.240 1.00 0.00 C ATOM 1033 CD1 LEU A 61 20.091 28.629 -36.523 1.00 0.00 C ATOM 1034 CD2 LEU A 61 21.126 30.878 -36.876 1.00 0.00 C ATOM 0 H LEU A 61 22.180 26.592 -35.862 1.00 0.00 H new ATOM 0 HA LEU A 61 22.693 27.455 -38.578 1.00 0.00 H new ATOM 0 HB2 LEU A 61 22.712 28.733 -35.823 1.00 0.00 H new ATOM 0 HB3 LEU A 61 23.368 29.605 -37.194 1.00 0.00 H new ATOM 0 HG LEU A 61 21.092 29.232 -38.311 1.00 0.00 H new ATOM 0 HD11 LEU A 61 19.131 29.061 -36.805 1.00 0.00 H new ATOM 0 HD12 LEU A 61 20.115 27.578 -36.812 1.00 0.00 H new ATOM 0 HD13 LEU A 61 20.224 28.712 -35.444 1.00 0.00 H new ATOM 0 HD21 LEU A 61 20.128 31.246 -37.115 1.00 0.00 H new ATOM 0 HD22 LEU A 61 21.314 31.006 -35.810 1.00 0.00 H new ATOM 0 HD23 LEU A 61 21.866 31.441 -37.445 1.00 0.00 H new ATOM 1046 N LYS A 62 25.197 27.524 -38.846 1.00 0.00 N ATOM 1047 CA LYS A 62 26.662 27.404 -39.080 1.00 0.00 C ATOM 1048 C LYS A 62 27.246 28.729 -39.666 1.00 0.00 C ATOM 1049 O LYS A 62 26.765 29.251 -40.677 1.00 0.00 O ATOM 1050 CB LYS A 62 26.899 26.170 -39.994 1.00 0.00 C ATOM 1051 CG LYS A 62 28.357 25.648 -40.072 1.00 0.00 C ATOM 1052 CD LYS A 62 28.773 24.612 -39.001 1.00 0.00 C ATOM 1053 CE LYS A 62 28.954 25.159 -37.574 1.00 0.00 C ATOM 1054 NZ LYS A 62 29.539 24.128 -36.697 1.00 0.00 N ATOM 0 H LYS A 62 24.660 27.710 -39.693 1.00 0.00 H new ATOM 0 HA LYS A 62 27.195 27.247 -38.142 1.00 0.00 H new ATOM 0 HB2 LYS A 62 26.262 25.357 -39.645 1.00 0.00 H new ATOM 0 HB3 LYS A 62 26.571 26.422 -41.002 1.00 0.00 H new ATOM 0 HG2 LYS A 62 28.509 25.203 -41.055 1.00 0.00 H new ATOM 0 HG3 LYS A 62 29.030 26.502 -40.001 1.00 0.00 H new ATOM 0 HD2 LYS A 62 28.021 23.823 -38.975 1.00 0.00 H new ATOM 0 HD3 LYS A 62 29.709 24.150 -39.314 1.00 0.00 H new ATOM 0 HE2 LYS A 62 29.599 26.037 -37.594 1.00 0.00 H new ATOM 0 HE3 LYS A 62 27.991 25.480 -37.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 29.655 24.513 -35.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 28.909 23.301 -36.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 30.467 23.841 -37.069 1.00 0.00 H new ATOM 1067 N ARG A 63 28.303 29.266 -39.029 1.00 0.00 N ATOM 1068 CA ARG A 63 28.941 30.542 -39.453 1.00 0.00 C ATOM 1069 C ARG A 63 29.942 30.379 -40.649 1.00 0.00 C ATOM 1070 O ARG A 63 30.851 29.544 -40.603 1.00 0.00 O ATOM 1071 CB ARG A 63 29.574 31.229 -38.207 1.00 0.00 C ATOM 1072 CG ARG A 63 30.823 30.561 -37.569 1.00 0.00 C ATOM 1073 CD ARG A 63 31.427 31.373 -36.400 1.00 0.00 C ATOM 1074 NE ARG A 63 32.917 31.445 -36.467 1.00 0.00 N ATOM 1075 CZ ARG A 63 33.613 32.301 -37.220 1.00 0.00 C ATOM 1076 NH1 ARG A 63 33.059 33.135 -38.066 1.00 0.00 N ATOM 1077 NH2 ARG A 63 34.910 32.308 -37.113 1.00 0.00 N ATOM 0 H ARG A 63 28.741 28.838 -38.213 1.00 0.00 H new ATOM 0 HA ARG A 63 28.168 31.195 -39.858 1.00 0.00 H new ATOM 0 HB2 ARG A 63 29.845 32.247 -38.487 1.00 0.00 H new ATOM 0 HB3 ARG A 63 28.805 31.304 -37.439 1.00 0.00 H new ATOM 0 HG2 ARG A 63 30.551 29.569 -37.209 1.00 0.00 H new ATOM 0 HG3 ARG A 63 31.584 30.424 -38.337 1.00 0.00 H new ATOM 0 HD2 ARG A 63 31.016 32.383 -36.412 1.00 0.00 H new ATOM 0 HD3 ARG A 63 31.130 30.919 -35.454 1.00 0.00 H new ATOM 0 HE ARG A 63 33.445 30.788 -35.892 1.00 0.00 H new ATOM 0 HH11 ARG A 63 32.045 33.152 -38.175 1.00 0.00 H new ATOM 0 HH12 ARG A 63 33.642 33.767 -38.615 1.00 0.00 H new ATOM 0 HH21 ARG A 63 35.372 31.669 -36.465 1.00 0.00 H new ATOM 0 HH22 ARG A 63 35.465 32.952 -37.677 1.00 0.00 H new ATOM 1091 N ILE A 64 29.795 31.210 -41.696 1.00 0.00 N ATOM 1092 CA ILE A 64 30.716 31.222 -42.876 1.00 0.00 C ATOM 1093 C ILE A 64 31.615 32.510 -42.885 1.00 0.00 C ATOM 1094 O ILE A 64 31.174 33.607 -42.525 1.00 0.00 O ATOM 1095 CB ILE A 64 29.895 30.962 -44.194 1.00 0.00 C ATOM 1096 CG1 ILE A 64 30.756 30.515 -45.411 1.00 0.00 C ATOM 1097 CG2 ILE A 64 28.989 32.143 -44.631 1.00 0.00 C ATOM 1098 CD1 ILE A 64 31.412 29.128 -45.273 1.00 0.00 C ATOM 0 H ILE A 64 29.042 31.895 -41.760 1.00 0.00 H new ATOM 0 HA ILE A 64 31.431 30.402 -42.807 1.00 0.00 H new ATOM 0 HB ILE A 64 29.256 30.130 -43.899 1.00 0.00 H new ATOM 0 HG12 ILE A 64 30.127 30.515 -46.301 1.00 0.00 H new ATOM 0 HG13 ILE A 64 31.539 31.256 -45.574 1.00 0.00 H new ATOM 0 HG21 ILE A 64 28.461 31.877 -45.547 1.00 0.00 H new ATOM 0 HG22 ILE A 64 28.266 32.357 -43.844 1.00 0.00 H new ATOM 0 HG23 ILE A 64 29.603 33.026 -44.809 1.00 0.00 H new ATOM 0 HD11 ILE A 64 31.990 28.908 -46.171 1.00 0.00 H new ATOM 0 HD12 ILE A 64 32.073 29.123 -44.406 1.00 0.00 H new ATOM 0 HD13 ILE A 64 30.639 28.371 -45.145 1.00 0.00 H new ATOM 1110 N ARG A 65 32.885 32.369 -43.307 1.00 0.00 N ATOM 1111 CA ARG A 65 33.835 33.511 -43.456 1.00 0.00 C ATOM 1112 C ARG A 65 34.534 33.473 -44.853 1.00 0.00 C ATOM 1113 O ARG A 65 35.150 32.469 -45.224 1.00 0.00 O ATOM 1114 CB ARG A 65 34.853 33.569 -42.277 1.00 0.00 C ATOM 1115 CG ARG A 65 35.703 32.302 -41.993 1.00 0.00 C ATOM 1116 CD ARG A 65 36.801 32.528 -40.937 1.00 0.00 C ATOM 1117 NE ARG A 65 37.373 31.212 -40.539 1.00 0.00 N ATOM 1118 CZ ARG A 65 38.377 31.030 -39.681 1.00 0.00 C ATOM 1119 NH1 ARG A 65 39.035 32.011 -39.112 1.00 0.00 N ATOM 1120 NH2 ARG A 65 38.726 29.809 -39.392 1.00 0.00 N ATOM 0 H ARG A 65 33.291 31.467 -43.556 1.00 0.00 H new ATOM 0 HA ARG A 65 33.263 34.438 -43.409 1.00 0.00 H new ATOM 0 HB2 ARG A 65 35.537 34.396 -42.466 1.00 0.00 H new ATOM 0 HB3 ARG A 65 34.301 33.813 -41.369 1.00 0.00 H new ATOM 0 HG2 ARG A 65 35.046 31.500 -41.657 1.00 0.00 H new ATOM 0 HG3 ARG A 65 36.165 31.968 -42.922 1.00 0.00 H new ATOM 0 HD2 ARG A 65 37.583 33.172 -41.340 1.00 0.00 H new ATOM 0 HD3 ARG A 65 36.387 33.037 -40.067 1.00 0.00 H new ATOM 0 HE ARG A 65 36.961 30.378 -40.959 1.00 0.00 H new ATOM 0 HH11 ARG A 65 38.787 32.979 -39.318 1.00 0.00 H new ATOM 0 HH12 ARG A 65 39.795 31.807 -38.463 1.00 0.00 H new ATOM 0 HH21 ARG A 65 38.235 29.024 -39.819 1.00 0.00 H new ATOM 0 HH22 ARG A 65 39.491 29.638 -38.739 1.00 0.00 H new ATOM 1134 N ASN A 66 34.462 34.582 -45.610 1.00 0.00 N ATOM 1135 CA ASN A 66 35.241 34.758 -46.870 1.00 0.00 C ATOM 1136 C ASN A 66 36.644 35.414 -46.620 1.00 0.00 C ATOM 1137 O ASN A 66 36.793 36.290 -45.762 1.00 0.00 O ATOM 1138 CB ASN A 66 34.371 35.503 -47.925 1.00 0.00 C ATOM 1139 CG ASN A 66 33.959 36.955 -47.633 1.00 0.00 C ATOM 1140 OD1 ASN A 66 34.721 37.896 -47.820 1.00 0.00 O ATOM 1141 ND2 ASN A 66 32.747 37.193 -47.191 1.00 0.00 N ATOM 0 H ASN A 66 33.871 35.380 -45.377 1.00 0.00 H new ATOM 0 HA ASN A 66 35.476 33.776 -47.282 1.00 0.00 H new ATOM 0 HB2 ASN A 66 34.914 35.495 -48.870 1.00 0.00 H new ATOM 0 HB3 ASN A 66 33.461 34.923 -48.076 1.00 0.00 H new ATOM 0 HD21 ASN A 66 32.450 38.151 -47.008 1.00 0.00 H new ATOM 0 HD22 ASN A 66 32.102 36.420 -47.031 1.00 0.00 H new ATOM 1148 N GLY A 67 37.664 34.980 -47.383 1.00 0.00 N ATOM 1149 CA GLY A 67 39.031 35.569 -47.312 1.00 0.00 C ATOM 1150 C GLY A 67 39.442 36.303 -48.602 1.00 0.00 C ATOM 1151 O GLY A 67 39.241 37.513 -48.702 1.00 0.00 O ATOM 0 H GLY A 67 37.576 34.222 -48.060 1.00 0.00 H new ATOM 0 HA2 GLY A 67 39.077 36.266 -46.475 1.00 0.00 H new ATOM 0 HA3 GLY A 67 39.751 34.777 -47.107 1.00 0.00 H new ATOM 1155 N LYS A 68 40.024 35.571 -49.574 1.00 0.00 N ATOM 1156 CA LYS A 68 40.492 36.132 -50.882 1.00 0.00 C ATOM 1157 C LYS A 68 41.633 37.202 -50.755 1.00 0.00 C ATOM 1158 O LYS A 68 41.380 38.409 -50.711 1.00 0.00 O ATOM 1159 CB LYS A 68 39.287 36.564 -51.776 1.00 0.00 C ATOM 1160 CG LYS A 68 39.608 37.005 -53.229 1.00 0.00 C ATOM 1161 CD LYS A 68 40.127 35.920 -54.204 1.00 0.00 C ATOM 1162 CE LYS A 68 39.054 35.092 -54.937 1.00 0.00 C ATOM 1163 NZ LYS A 68 38.455 34.052 -54.081 1.00 0.00 N ATOM 0 H LYS A 68 40.189 34.568 -49.484 1.00 0.00 H new ATOM 0 HA LYS A 68 40.989 35.320 -51.413 1.00 0.00 H new ATOM 0 HB2 LYS A 68 38.585 35.732 -51.822 1.00 0.00 H new ATOM 0 HB3 LYS A 68 38.774 37.387 -51.278 1.00 0.00 H new ATOM 0 HG2 LYS A 68 38.704 37.438 -53.657 1.00 0.00 H new ATOM 0 HG3 LYS A 68 40.352 37.800 -53.183 1.00 0.00 H new ATOM 0 HD2 LYS A 68 40.756 36.404 -54.951 1.00 0.00 H new ATOM 0 HD3 LYS A 68 40.765 35.235 -53.646 1.00 0.00 H new ATOM 0 HE2 LYS A 68 38.269 35.758 -55.296 1.00 0.00 H new ATOM 0 HE3 LYS A 68 39.499 34.623 -55.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 37.953 33.361 -54.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 39.204 33.569 -53.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 37.785 34.491 -53.418 1.00 0.00 H new ATOM 1176 N LYS A 69 42.899 36.749 -50.746 1.00 0.00 N ATOM 1177 CA LYS A 69 44.079 37.654 -50.835 1.00 0.00 C ATOM 1178 C LYS A 69 44.380 38.060 -52.318 1.00 0.00 C ATOM 1179 O LYS A 69 44.519 37.205 -53.200 1.00 0.00 O ATOM 1180 CB LYS A 69 45.279 37.016 -50.070 1.00 0.00 C ATOM 1181 CG LYS A 69 45.911 35.720 -50.644 1.00 0.00 C ATOM 1182 CD LYS A 69 47.079 35.957 -51.630 1.00 0.00 C ATOM 1183 CE LYS A 69 47.250 34.822 -52.663 1.00 0.00 C ATOM 1184 NZ LYS A 69 48.613 34.259 -52.643 1.00 0.00 N ATOM 0 H LYS A 69 43.141 35.760 -50.678 1.00 0.00 H new ATOM 0 HA LYS A 69 43.867 38.601 -50.339 1.00 0.00 H new ATOM 0 HB2 LYS A 69 46.066 37.767 -50.000 1.00 0.00 H new ATOM 0 HB3 LYS A 69 44.950 36.803 -49.053 1.00 0.00 H new ATOM 0 HG2 LYS A 69 46.270 35.109 -49.816 1.00 0.00 H new ATOM 0 HG3 LYS A 69 45.135 35.146 -51.151 1.00 0.00 H new ATOM 0 HD2 LYS A 69 46.914 36.896 -52.158 1.00 0.00 H new ATOM 0 HD3 LYS A 69 48.005 36.067 -51.065 1.00 0.00 H new ATOM 0 HE2 LYS A 69 46.528 34.032 -52.457 1.00 0.00 H new ATOM 0 HE3 LYS A 69 47.029 35.203 -53.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 48.686 33.500 -53.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 49.301 35.007 -52.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 48.815 33.872 -51.699 1.00 0.00 H new ATOM 1197 N ALA A 70 44.478 39.372 -52.586 1.00 0.00 N ATOM 1198 CA ALA A 70 44.842 39.910 -53.923 1.00 0.00 C ATOM 1199 C ALA A 70 46.012 40.936 -53.810 1.00 0.00 C ATOM 1200 O ALA A 70 46.046 41.765 -52.895 1.00 0.00 O ATOM 1201 CB ALA A 70 43.576 40.549 -54.528 1.00 0.00 C ATOM 0 H ALA A 70 44.309 40.096 -51.888 1.00 0.00 H new ATOM 0 HA ALA A 70 45.197 39.112 -54.574 1.00 0.00 H new ATOM 0 HB1 ALA A 70 43.808 40.955 -55.513 1.00 0.00 H new ATOM 0 HB2 ALA A 70 42.796 39.793 -54.622 1.00 0.00 H new ATOM 0 HB3 ALA A 70 43.227 41.351 -53.878 1.00 0.00 H new ATOM 1207 N LYS A 71 46.956 40.912 -54.772 1.00 0.00 N ATOM 1208 CA LYS A 71 48.094 41.885 -54.815 1.00 0.00 C ATOM 1209 C LYS A 71 47.687 43.397 -54.962 1.00 0.00 C ATOM 1210 O LYS A 71 48.202 44.236 -54.219 1.00 0.00 O ATOM 1211 CB LYS A 71 49.077 41.409 -55.924 1.00 0.00 C ATOM 1212 CG LYS A 71 50.441 42.142 -55.943 1.00 0.00 C ATOM 1213 CD LYS A 71 51.276 41.816 -57.196 1.00 0.00 C ATOM 1214 CE LYS A 71 52.598 42.600 -57.220 1.00 0.00 C ATOM 1215 NZ LYS A 71 53.336 42.320 -58.465 1.00 0.00 N ATOM 0 H LYS A 71 46.963 40.234 -55.534 1.00 0.00 H new ATOM 0 HA LYS A 71 48.580 41.877 -53.839 1.00 0.00 H new ATOM 0 HB2 LYS A 71 49.256 40.341 -55.797 1.00 0.00 H new ATOM 0 HB3 LYS A 71 48.598 41.538 -56.894 1.00 0.00 H new ATOM 0 HG2 LYS A 71 50.271 43.218 -55.895 1.00 0.00 H new ATOM 0 HG3 LYS A 71 51.008 41.869 -55.053 1.00 0.00 H new ATOM 0 HD2 LYS A 71 51.487 40.747 -57.225 1.00 0.00 H new ATOM 0 HD3 LYS A 71 50.698 42.051 -58.090 1.00 0.00 H new ATOM 0 HE2 LYS A 71 52.397 43.668 -57.141 1.00 0.00 H new ATOM 0 HE3 LYS A 71 53.207 42.326 -56.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 54.227 42.856 -58.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 53.544 41.303 -58.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 52.758 42.604 -59.282 1.00 0.00 H new ATOM 1228 N SER A 72 46.788 43.735 -55.907 1.00 0.00 N ATOM 1229 CA SER A 72 46.214 45.103 -56.032 1.00 0.00 C ATOM 1230 C SER A 72 44.747 45.155 -55.534 1.00 0.00 C ATOM 1231 O SER A 72 44.396 46.041 -54.753 1.00 0.00 O ATOM 1232 CB SER A 72 46.372 45.605 -57.486 1.00 0.00 C ATOM 1233 OG SER A 72 45.634 44.823 -58.428 1.00 0.00 O ATOM 1234 OXT SER A 72 43.911 44.326 -55.903 1.00 0.00 O ATOM 0 H SER A 72 46.437 43.078 -56.604 1.00 0.00 H new ATOM 0 HA SER A 72 46.769 45.782 -55.384 1.00 0.00 H new ATOM 0 HB2 SER A 72 46.042 46.642 -57.545 1.00 0.00 H new ATOM 0 HB3 SER A 72 47.428 45.591 -57.757 1.00 0.00 H new ATOM 0 HG SER A 72 45.768 45.184 -59.329 1.00 0.00 H new TER 1240 SER A 72