USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 567 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 12 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 14 MET CE :methyl 166:sc= -0.141 (180deg=-0.566) USER MOD Single : A 15 CYS SG : rot 78:sc= -0.193 USER MOD Single : A 16 MET CE :methyl 168:sc=-0.00932 (180deg=-0.203) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.117 K(o=-0.12,f=-0.91) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.649 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 33:sc= 0.456 USER MOD Single : A 47 ASN : amide:sc=-0.00236 K(o=-0.0024,f=-0.9) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 163:sc= -0.0446 (180deg=-0.391) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0748 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.0108 X(o=-0.011,f=-0.42) USER MOD Single : A 68 MET CE :methyl 168:sc= -1.49 (180deg=-1.97) USER MOD Single : A 70 MET CE :methyl 168:sc=-0.00612 (180deg=-0.215) USER MOD Single : A 73 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 8 1.241 0.659 -3.128 1.00 0.00 N ATOM 2 CA ILE A 8 2.676 0.846 -2.953 1.00 0.00 C ATOM 3 C ILE A 8 2.998 2.270 -2.518 1.00 0.00 C ATOM 4 O ILE A 8 3.979 2.508 -1.815 1.00 0.00 O ATOM 5 CB ILE A 8 3.435 0.523 -4.253 1.00 0.00 C ATOM 6 CG1 ILE A 8 3.138 -0.910 -4.702 1.00 0.00 C ATOM 7 CG2 ILE A 8 4.930 0.724 -4.061 1.00 0.00 C ATOM 8 CD1 ILE A 8 3.462 -1.957 -3.661 1.00 0.00 C ATOM 0 HA ILE A 8 2.999 0.159 -2.171 1.00 0.00 H new ATOM 0 HB ILE A 8 3.095 1.206 -5.031 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.083 -0.987 -4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.708 -1.122 -5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.451 0.491 -4.990 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.125 1.760 -3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.287 0.065 -3.270 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.224 -2.946 -4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.523 -1.909 -3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.873 -1.772 -2.763 1.00 0.00 H new ATOM 20 N GLY A 9 2.164 3.215 -2.940 1.00 0.00 N ATOM 21 CA GLY A 9 2.351 4.616 -2.585 1.00 0.00 C ATOM 22 C GLY A 9 2.433 4.796 -1.075 1.00 0.00 C ATOM 23 O GLY A 9 3.210 5.611 -0.578 1.00 0.00 O ATOM 0 H GLY A 9 1.351 3.035 -3.529 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.263 4.993 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.525 5.207 -2.980 1.00 0.00 H new ATOM 27 N TRP A 10 1.626 4.029 -0.348 1.00 0.00 N ATOM 28 CA TRP A 10 1.640 4.067 1.109 1.00 0.00 C ATOM 29 C TRP A 10 2.987 3.618 1.659 1.00 0.00 C ATOM 30 O TRP A 10 3.513 4.210 2.601 1.00 0.00 O ATOM 31 CB TRP A 10 0.531 3.179 1.676 1.00 0.00 C ATOM 32 CG TRP A 10 0.474 3.176 3.174 1.00 0.00 C ATOM 33 CD1 TRP A 10 -0.144 4.096 3.967 1.00 0.00 C ATOM 34 CD2 TRP A 10 1.059 2.202 4.071 1.00 0.00 C ATOM 35 NE1 TRP A 10 0.016 3.764 5.290 1.00 0.00 N ATOM 36 CE2 TRP A 10 0.749 2.606 5.372 1.00 0.00 C ATOM 37 CE3 TRP A 10 1.810 1.035 3.876 1.00 0.00 C ATOM 38 CZ2 TRP A 10 1.164 1.888 6.482 1.00 0.00 C ATOM 39 CZ3 TRP A 10 2.225 0.315 4.990 1.00 0.00 C ATOM 40 CH2 TRP A 10 1.909 0.731 6.259 1.00 0.00 C ATOM 0 H TRP A 10 0.954 3.373 -0.746 1.00 0.00 H new ATOM 0 HA TRP A 10 1.468 5.099 1.415 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -0.429 3.516 1.285 1.00 0.00 H new ATOM 0 HB3 TRP A 10 0.678 2.158 1.324 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -0.682 4.961 3.607 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -0.350 4.292 6.082 1.00 0.00 H new ATOM 0 HE3 TRP A 10 2.061 0.702 2.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 0.919 2.213 7.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.805 -0.586 4.855 1.00 0.00 H new ATOM 0 HH2 TRP A 10 2.245 0.149 7.104 1.00 0.00 H new ATOM 51 N LEU A 11 3.543 2.567 1.064 1.00 0.00 N ATOM 52 CA LEU A 11 4.854 2.067 1.460 1.00 0.00 C ATOM 53 C LEU A 11 5.944 3.092 1.174 1.00 0.00 C ATOM 54 O LEU A 11 6.888 3.242 1.949 1.00 0.00 O ATOM 55 CB LEU A 11 5.167 0.759 0.723 1.00 0.00 C ATOM 56 CG LEU A 11 4.308 -0.449 1.118 1.00 0.00 C ATOM 57 CD1 LEU A 11 4.585 -1.603 0.164 1.00 0.00 C ATOM 58 CD2 LEU A 11 4.613 -0.842 2.555 1.00 0.00 C ATOM 0 H LEU A 11 3.105 2.045 0.305 1.00 0.00 H new ATOM 0 HA LEU A 11 4.831 1.881 2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.051 0.930 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.214 0.509 0.894 1.00 0.00 H new ATOM 0 HG LEU A 11 3.251 -0.192 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.975 -2.461 0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.340 -1.300 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.639 -1.874 0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.002 -1.700 2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.668 -1.102 2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.388 -0.005 3.217 1.00 0.00 H new ATOM 70 N GLN A 12 5.807 3.797 0.056 1.00 0.00 N ATOM 71 CA GLN A 12 6.756 4.840 -0.313 1.00 0.00 C ATOM 72 C GLN A 12 6.758 5.969 0.710 1.00 0.00 C ATOM 73 O GLN A 12 7.813 6.387 1.186 1.00 0.00 O ATOM 74 CB GLN A 12 6.430 5.395 -1.703 1.00 0.00 C ATOM 75 CG GLN A 12 6.697 4.423 -2.839 1.00 0.00 C ATOM 76 CD GLN A 12 6.212 4.948 -4.176 1.00 0.00 C ATOM 77 OE1 GLN A 12 5.594 6.014 -4.253 1.00 0.00 O ATOM 78 NE2 GLN A 12 6.490 4.203 -5.240 1.00 0.00 N ATOM 0 H GLN A 12 5.047 3.664 -0.611 1.00 0.00 H new ATOM 0 HA GLN A 12 7.750 4.393 -0.333 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.380 5.687 -1.728 1.00 0.00 H new ATOM 0 HB3 GLN A 12 7.016 6.299 -1.868 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.767 4.222 -2.897 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.205 3.474 -2.625 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.003 3.329 -5.130 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.190 4.505 -6.167 1.00 0.00 H new ATOM 87 N GLU A 13 5.569 6.460 1.044 1.00 0.00 N ATOM 88 CA GLU A 13 5.430 7.525 2.030 1.00 0.00 C ATOM 89 C GLU A 13 5.944 7.084 3.394 1.00 0.00 C ATOM 90 O GLU A 13 6.630 7.839 4.084 1.00 0.00 O ATOM 91 CB GLU A 13 3.967 7.959 2.143 1.00 0.00 C ATOM 92 CG GLU A 13 3.438 8.708 0.927 1.00 0.00 C ATOM 93 CD GLU A 13 1.963 8.989 1.009 1.00 0.00 C ATOM 94 OE1 GLU A 13 1.346 8.551 1.950 1.00 0.00 O ATOM 95 OE2 GLU A 13 1.454 9.643 0.130 1.00 0.00 O1- ATOM 0 H GLU A 13 4.687 6.137 0.646 1.00 0.00 H new ATOM 0 HA GLU A 13 6.030 8.370 1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.350 7.075 2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.856 8.593 3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.977 9.650 0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.642 8.124 0.030 1.00 0.00 H new ATOM 102 N MET A 14 5.610 5.856 3.779 1.00 0.00 N ATOM 103 CA MET A 14 6.107 5.282 5.023 1.00 0.00 C ATOM 104 C MET A 14 7.629 5.311 5.074 1.00 0.00 C ATOM 105 O MET A 14 8.218 5.794 6.042 1.00 0.00 O ATOM 106 CB MET A 14 5.596 3.851 5.185 1.00 0.00 C ATOM 107 CG MET A 14 6.084 3.146 6.442 1.00 0.00 C ATOM 108 SD MET A 14 5.580 1.416 6.509 1.00 0.00 S ATOM 109 CE MET A 14 6.570 0.723 5.188 1.00 0.00 C ATOM 0 H MET A 14 4.997 5.239 3.246 1.00 0.00 H new ATOM 0 HA MET A 14 5.733 5.887 5.849 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.506 3.866 5.192 1.00 0.00 H new ATOM 0 HB3 MET A 14 5.901 3.269 4.315 1.00 0.00 H new ATOM 0 HG2 MET A 14 7.171 3.206 6.488 1.00 0.00 H new ATOM 0 HG3 MET A 14 5.699 3.667 7.319 1.00 0.00 H new ATOM 0 HE1 MET A 14 6.564 -0.365 5.261 1.00 0.00 H new ATOM 0 HE2 MET A 14 6.156 1.025 4.226 1.00 0.00 H new ATOM 0 HE3 MET A 14 7.594 1.086 5.272 1.00 0.00 H new ATOM 119 N CYS A 15 8.262 4.791 4.028 1.00 0.00 N ATOM 120 CA CYS A 15 9.717 4.757 3.952 1.00 0.00 C ATOM 121 C CYS A 15 10.308 6.156 4.069 1.00 0.00 C ATOM 122 O CYS A 15 11.258 6.378 4.820 1.00 0.00 O ATOM 123 CB CYS A 15 10.173 4.125 2.636 1.00 0.00 C ATOM 124 SG CYS A 15 9.909 2.338 2.546 1.00 0.00 S ATOM 0 H CYS A 15 7.789 4.387 3.220 1.00 0.00 H new ATOM 0 HA CYS A 15 10.073 4.154 4.787 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.641 4.602 1.813 1.00 0.00 H new ATOM 0 HB3 CYS A 15 11.234 4.333 2.494 1.00 0.00 H new ATOM 0 HG CYS A 15 8.658 2.097 2.288 1.00 0.00 H new ATOM 130 N MET A 16 9.741 7.097 3.321 1.00 0.00 N ATOM 131 CA MET A 16 10.214 8.476 3.336 1.00 0.00 C ATOM 132 C MET A 16 10.184 9.053 4.745 1.00 0.00 C ATOM 133 O MET A 16 11.156 9.657 5.200 1.00 0.00 O ATOM 134 CB MET A 16 9.373 9.332 2.391 1.00 0.00 C ATOM 135 CG MET A 16 9.596 9.043 0.913 1.00 0.00 C ATOM 136 SD MET A 16 8.429 9.917 -0.149 1.00 0.00 S ATOM 137 CE MET A 16 8.943 11.612 0.105 1.00 0.00 C ATOM 0 H MET A 16 8.952 6.929 2.696 1.00 0.00 H new ATOM 0 HA MET A 16 11.249 8.484 2.993 1.00 0.00 H new ATOM 0 HB2 MET A 16 8.319 9.179 2.623 1.00 0.00 H new ATOM 0 HB3 MET A 16 9.592 10.383 2.580 1.00 0.00 H new ATOM 0 HG2 MET A 16 10.612 9.327 0.640 1.00 0.00 H new ATOM 0 HG3 MET A 16 9.507 7.971 0.739 1.00 0.00 H new ATOM 0 HE1 MET A 16 8.466 12.252 -0.637 1.00 0.00 H new ATOM 0 HE2 MET A 16 8.651 11.935 1.104 1.00 0.00 H new ATOM 0 HE3 MET A 16 10.026 11.683 0.003 1.00 0.00 H new ATOM 147 N GLN A 17 9.063 8.865 5.433 1.00 0.00 N ATOM 148 CA GLN A 17 8.890 9.400 6.778 1.00 0.00 C ATOM 149 C GLN A 17 9.862 8.753 7.758 1.00 0.00 C ATOM 150 O GLN A 17 10.372 9.410 8.665 1.00 0.00 O ATOM 151 CB GLN A 17 7.451 9.193 7.257 1.00 0.00 C ATOM 152 CG GLN A 17 6.428 10.065 6.548 1.00 0.00 C ATOM 153 CD GLN A 17 5.006 9.746 6.967 1.00 0.00 C ATOM 154 OE1 GLN A 17 4.766 8.816 7.743 1.00 0.00 O ATOM 155 NE2 GLN A 17 4.052 10.515 6.455 1.00 0.00 N ATOM 0 H GLN A 17 8.259 8.345 5.080 1.00 0.00 H new ATOM 0 HA GLN A 17 9.102 10.469 6.740 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.180 8.147 7.116 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.404 9.394 8.327 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.640 11.113 6.759 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.525 9.931 5.471 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.295 11.273 5.817 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.076 10.348 6.700 1.00 0.00 H new ATOM 164 N ARG A 18 10.113 7.462 7.568 1.00 0.00 N ATOM 165 CA ARG A 18 10.961 6.705 8.481 1.00 0.00 C ATOM 166 C ARG A 18 12.418 6.743 8.038 1.00 0.00 C ATOM 167 O ARG A 18 13.258 6.017 8.571 1.00 0.00 O ATOM 168 CB ARG A 18 10.498 5.258 8.566 1.00 0.00 C ATOM 169 CG ARG A 18 9.121 5.063 9.182 1.00 0.00 C ATOM 170 CD ARG A 18 8.755 3.626 9.263 1.00 0.00 C ATOM 171 NE ARG A 18 7.434 3.435 9.839 1.00 0.00 N ATOM 172 CZ ARG A 18 6.830 2.239 9.990 1.00 0.00 C ATOM 173 NH1 ARG A 18 7.441 1.141 9.603 1.00 0.00 N1+ ATOM 174 NH2 ARG A 18 5.625 2.171 10.527 1.00 0.00 N ATOM 0 H ARG A 18 9.741 6.918 6.790 1.00 0.00 H new ATOM 0 HA ARG A 18 10.880 7.169 9.464 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.495 4.833 7.562 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.225 4.693 9.149 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.104 5.500 10.180 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.378 5.595 8.588 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.783 3.187 8.266 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.494 3.097 9.865 1.00 0.00 H new ATOM 0 HE ARG A 18 6.928 4.264 10.151 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.372 1.194 9.189 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.984 0.236 9.717 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.152 3.023 10.827 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.168 1.266 10.641 1.00 0.00 H new ATOM 188 N ARG A 19 12.713 7.594 7.061 1.00 0.00 N ATOM 189 CA ARG A 19 14.084 7.794 6.607 1.00 0.00 C ATOM 190 C ARG A 19 14.691 6.492 6.098 1.00 0.00 C ATOM 191 O ARG A 19 15.884 6.244 6.272 1.00 0.00 O ATOM 192 CB ARG A 19 14.946 8.347 7.732 1.00 0.00 C ATOM 193 CG ARG A 19 14.514 9.706 8.259 1.00 0.00 C ATOM 194 CD ARG A 19 15.388 10.168 9.368 1.00 0.00 C ATOM 195 NE ARG A 19 14.875 11.374 9.997 1.00 0.00 N ATOM 196 CZ ARG A 19 15.442 11.985 11.055 1.00 0.00 C ATOM 197 NH1 ARG A 19 16.537 11.493 11.590 1.00 0.00 N1+ ATOM 198 NH2 ARG A 19 14.896 13.080 11.556 1.00 0.00 N ATOM 0 H ARG A 19 12.020 8.157 6.568 1.00 0.00 H new ATOM 0 HA ARG A 19 14.056 8.512 5.787 1.00 0.00 H new ATOM 0 HB2 ARG A 19 14.942 7.635 8.557 1.00 0.00 H new ATOM 0 HB3 ARG A 19 15.975 8.420 7.380 1.00 0.00 H new ATOM 0 HG2 ARG A 19 14.538 10.435 7.449 1.00 0.00 H new ATOM 0 HG3 ARG A 19 13.483 9.650 8.607 1.00 0.00 H new ATOM 0 HD2 ARG A 19 15.475 9.378 10.114 1.00 0.00 H new ATOM 0 HD3 ARG A 19 16.391 10.357 8.985 1.00 0.00 H new ATOM 0 HE ARG A 19 14.026 11.786 9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 19 16.958 10.648 11.204 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.966 11.956 12.391 1.00 0.00 H new ATOM 0 HH21 ARG A 19 14.046 13.462 11.141 1.00 0.00 H new ATOM 0 HH22 ARG A 19 15.325 13.543 12.357 1.00 0.00 H new ATOM 212 N TRP A 20 13.863 5.665 5.471 1.00 0.00 N ATOM 213 CA TRP A 20 14.322 4.398 4.913 1.00 0.00 C ATOM 214 C TRP A 20 14.485 4.489 3.401 1.00 0.00 C ATOM 215 O TRP A 20 13.915 5.370 2.757 1.00 0.00 O ATOM 216 CB TRP A 20 13.340 3.276 5.257 1.00 0.00 C ATOM 217 CG TRP A 20 13.362 2.885 6.704 1.00 0.00 C ATOM 218 CD1 TRP A 20 14.285 3.257 7.635 1.00 0.00 C ATOM 219 CD2 TRP A 20 12.412 2.040 7.396 1.00 0.00 C ATOM 220 NE1 TRP A 20 13.978 2.703 8.853 1.00 0.00 N ATOM 221 CE2 TRP A 20 12.834 1.956 8.726 1.00 0.00 C ATOM 222 CE3 TRP A 20 11.254 1.359 7.000 1.00 0.00 C ATOM 223 CZ2 TRP A 20 12.141 1.215 9.670 1.00 0.00 C ATOM 224 CZ3 TRP A 20 10.559 0.616 7.948 1.00 0.00 C ATOM 225 CH2 TRP A 20 10.991 0.548 9.248 1.00 0.00 C ATOM 0 H TRP A 20 12.869 5.849 5.336 1.00 0.00 H new ATOM 0 HA TRP A 20 15.294 4.175 5.354 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.332 3.592 4.989 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.572 2.402 4.649 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.135 3.895 7.443 1.00 0.00 H new ATOM 0 HE1 TRP A 20 14.513 2.827 9.712 1.00 0.00 H new ATOM 0 HE3 TRP A 20 10.908 1.410 5.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 12.479 1.156 10.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 9.665 0.084 7.656 1.00 0.00 H new ATOM 0 HH2 TRP A 20 10.428 -0.035 9.961 1.00 0.00 H new ATOM 236 N PRO A 21 15.267 3.573 2.839 1.00 0.00 N ATOM 237 CA PRO A 21 15.453 3.506 1.395 1.00 0.00 C ATOM 238 C PRO A 21 14.141 3.197 0.684 1.00 0.00 C ATOM 239 O PRO A 21 13.182 2.739 1.304 1.00 0.00 O ATOM 240 CB PRO A 21 16.466 2.369 1.230 1.00 0.00 C ATOM 241 CG PRO A 21 16.293 1.544 2.459 1.00 0.00 C ATOM 242 CD PRO A 21 16.035 2.548 3.551 1.00 0.00 C ATOM 0 HA PRO A 21 15.795 4.445 0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 21 16.269 1.788 0.329 1.00 0.00 H new ATOM 0 HB3 PRO A 21 17.483 2.751 1.147 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.462 0.847 2.356 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.183 0.950 2.667 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.472 2.117 4.379 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.960 2.946 3.968 1.00 0.00 H new ATOM 250 N PRO A 22 14.107 3.451 -0.619 1.00 0.00 N ATOM 251 CA PRO A 22 12.906 3.219 -1.413 1.00 0.00 C ATOM 252 C PRO A 22 12.405 1.790 -1.249 1.00 0.00 C ATOM 253 O PRO A 22 13.196 0.856 -1.120 1.00 0.00 O ATOM 254 CB PRO A 22 13.381 3.490 -2.844 1.00 0.00 C ATOM 255 CG PRO A 22 14.478 4.487 -2.683 1.00 0.00 C ATOM 256 CD PRO A 22 15.188 4.061 -1.426 1.00 0.00 C ATOM 0 HA PRO A 22 12.066 3.848 -1.119 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.738 2.579 -3.324 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.575 3.882 -3.464 1.00 0.00 H new ATOM 0 HG2 PRO A 22 15.150 4.480 -3.541 1.00 0.00 H new ATOM 0 HG3 PRO A 22 14.085 5.500 -2.594 1.00 0.00 H new ATOM 0 HD2 PRO A 22 15.986 3.348 -1.636 1.00 0.00 H new ATOM 0 HD3 PRO A 22 15.644 4.908 -0.914 1.00 0.00 H new ATOM 264 N PRO A 23 11.086 1.626 -1.255 1.00 0.00 N ATOM 265 CA PRO A 23 10.476 0.314 -1.080 1.00 0.00 C ATOM 266 C PRO A 23 10.573 -0.513 -2.356 1.00 0.00 C ATOM 267 O PRO A 23 10.758 0.029 -3.445 1.00 0.00 O ATOM 268 CB PRO A 23 9.023 0.652 -0.735 1.00 0.00 C ATOM 269 CG PRO A 23 8.764 1.931 -1.456 1.00 0.00 C ATOM 270 CD PRO A 23 10.052 2.700 -1.330 1.00 0.00 C ATOM 0 HA PRO A 23 10.964 -0.290 -0.315 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.343 -0.134 -1.062 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.885 0.766 0.340 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.508 1.753 -2.501 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.931 2.476 -1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.214 3.356 -2.185 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.060 3.329 -0.440 1.00 0.00 H new ATOM 278 N SER A 24 10.445 -1.828 -2.214 1.00 0.00 N ATOM 279 CA SER A 24 10.405 -2.722 -3.365 1.00 0.00 C ATOM 280 C SER A 24 9.188 -3.637 -3.309 1.00 0.00 C ATOM 281 O SER A 24 8.598 -3.837 -2.247 1.00 0.00 O ATOM 282 CB SER A 24 11.672 -3.554 -3.424 1.00 0.00 C ATOM 283 OG SER A 24 12.801 -2.738 -3.573 1.00 0.00 O ATOM 0 H SER A 24 10.367 -2.298 -1.312 1.00 0.00 H new ATOM 0 HA SER A 24 10.332 -2.110 -4.264 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.765 -4.147 -2.514 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.613 -4.255 -4.257 1.00 0.00 H new ATOM 0 HG SER A 24 13.606 -3.296 -3.607 1.00 0.00 H new ATOM 289 N TYR A 25 8.817 -4.190 -4.459 1.00 0.00 N ATOM 290 CA TYR A 25 7.687 -5.108 -4.538 1.00 0.00 C ATOM 291 C TYR A 25 7.792 -6.006 -5.764 1.00 0.00 C ATOM 292 O TYR A 25 8.548 -5.720 -6.692 1.00 0.00 O ATOM 293 CB TYR A 25 6.368 -4.332 -4.560 1.00 0.00 C ATOM 294 CG TYR A 25 6.200 -3.447 -5.774 1.00 0.00 C ATOM 295 CD1 TYR A 25 5.525 -3.921 -6.890 1.00 0.00 C ATOM 296 CD2 TYR A 25 6.722 -2.162 -5.773 1.00 0.00 C ATOM 297 CE1 TYR A 25 5.372 -3.112 -8.000 1.00 0.00 C ATOM 298 CE2 TYR A 25 6.568 -1.354 -6.883 1.00 0.00 C ATOM 299 CZ TYR A 25 5.896 -1.825 -7.992 1.00 0.00 C ATOM 300 OH TYR A 25 5.744 -1.019 -9.098 1.00 0.00 O ATOM 0 H TYR A 25 9.283 -4.018 -5.350 1.00 0.00 H new ATOM 0 HA TYR A 25 7.708 -5.742 -3.652 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.540 -5.040 -4.521 1.00 0.00 H new ATOM 0 HB3 TYR A 25 6.304 -3.717 -3.662 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.119 -4.922 -6.891 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.248 -1.793 -4.905 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.847 -3.479 -8.870 1.00 0.00 H new ATOM 0 HE2 TYR A 25 6.974 -0.353 -6.883 1.00 0.00 H new ATOM 0 HH TYR A 25 6.166 -0.151 -8.931 1.00 0.00 H new ATOM 310 N GLU A 26 7.029 -7.094 -5.761 1.00 0.00 N ATOM 311 CA GLU A 26 7.062 -8.056 -6.856 1.00 0.00 C ATOM 312 C GLU A 26 5.713 -8.743 -7.027 1.00 0.00 C ATOM 313 O GLU A 26 5.145 -9.263 -6.067 1.00 0.00 O ATOM 314 CB GLU A 26 8.152 -9.103 -6.614 1.00 0.00 C ATOM 315 CG GLU A 26 8.292 -10.133 -7.725 1.00 0.00 C ATOM 316 CD GLU A 26 9.440 -11.078 -7.505 1.00 0.00 C ATOM 317 OE1 GLU A 26 10.167 -10.891 -6.559 1.00 0.00 O ATOM 318 OE2 GLU A 26 9.591 -11.989 -8.285 1.00 0.00 O1- ATOM 0 H GLU A 26 6.379 -7.332 -5.011 1.00 0.00 H new ATOM 0 HA GLU A 26 7.287 -7.510 -7.772 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.107 -8.593 -6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.940 -9.622 -5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.367 -10.705 -7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.429 -9.618 -8.676 1.00 0.00 H new ATOM 325 N THR A 27 5.206 -8.742 -8.255 1.00 0.00 N ATOM 326 CA THR A 27 3.964 -9.437 -8.571 1.00 0.00 C ATOM 327 C THR A 27 4.226 -10.888 -8.950 1.00 0.00 C ATOM 328 O THR A 27 4.993 -11.171 -9.871 1.00 0.00 O ATOM 329 CB THR A 27 3.209 -8.732 -9.713 1.00 0.00 C ATOM 330 OG1 THR A 27 2.876 -7.395 -9.316 1.00 0.00 O ATOM 331 CG2 THR A 27 1.935 -9.487 -10.057 1.00 0.00 C ATOM 0 H THR A 27 5.637 -8.267 -9.048 1.00 0.00 H new ATOM 0 HA THR A 27 3.345 -9.415 -7.674 1.00 0.00 H new ATOM 0 HB THR A 27 3.853 -8.708 -10.592 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.397 -6.947 -10.044 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.415 -8.974 -10.866 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.186 -10.500 -10.372 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.289 -9.529 -9.180 1.00 0.00 H new ATOM 339 N GLU A 28 3.584 -11.806 -8.235 1.00 0.00 N ATOM 340 CA GLU A 28 3.784 -13.232 -8.463 1.00 0.00 C ATOM 341 C GLU A 28 2.793 -13.770 -9.488 1.00 0.00 C ATOM 342 O GLU A 28 1.849 -13.081 -9.873 1.00 0.00 O ATOM 343 CB GLU A 28 3.647 -14.007 -7.151 1.00 0.00 C ATOM 344 CG GLU A 28 4.704 -13.671 -6.109 1.00 0.00 C ATOM 345 CD GLU A 28 4.779 -14.687 -5.003 1.00 0.00 C ATOM 346 OE1 GLU A 28 3.996 -15.606 -5.012 1.00 0.00 O ATOM 347 OE2 GLU A 28 5.620 -14.543 -4.147 1.00 0.00 O1- ATOM 0 H GLU A 28 2.920 -11.587 -7.492 1.00 0.00 H new ATOM 0 HA GLU A 28 4.792 -13.368 -8.855 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.662 -13.810 -6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.694 -15.074 -7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.677 -13.599 -6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.488 -12.692 -5.682 1.00 0.00 H new ATOM 354 N THR A 29 3.014 -15.005 -9.926 1.00 0.00 N ATOM 355 CA THR A 29 2.191 -15.608 -10.967 1.00 0.00 C ATOM 356 C THR A 29 0.752 -15.782 -10.500 1.00 0.00 C ATOM 357 O THR A 29 0.502 -16.244 -9.386 1.00 0.00 O ATOM 358 CB THR A 29 2.761 -16.969 -11.406 1.00 0.00 C ATOM 359 OG1 THR A 29 4.100 -16.796 -11.888 1.00 0.00 O ATOM 360 CG2 THR A 29 1.905 -17.576 -12.507 1.00 0.00 C ATOM 0 H THR A 29 3.758 -15.608 -9.575 1.00 0.00 H new ATOM 0 HA THR A 29 2.203 -14.930 -11.820 1.00 0.00 H new ATOM 0 HB THR A 29 2.760 -17.640 -10.547 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.462 -17.663 -12.166 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.323 -18.538 -12.805 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.889 -17.720 -12.140 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.889 -16.906 -13.366 1.00 0.00 H new ATOM 368 N GLU A 30 -0.193 -15.411 -11.357 1.00 0.00 N ATOM 369 CA GLU A 30 -1.608 -15.618 -11.074 1.00 0.00 C ATOM 370 C GLU A 30 -1.921 -17.095 -10.877 1.00 0.00 C ATOM 371 O GLU A 30 -1.463 -17.944 -11.643 1.00 0.00 O ATOM 372 CB GLU A 30 -2.467 -15.052 -12.208 1.00 0.00 C ATOM 373 CG GLU A 30 -3.967 -15.189 -11.989 1.00 0.00 C ATOM 374 CD GLU A 30 -4.777 -14.626 -13.124 1.00 0.00 C ATOM 375 OE1 GLU A 30 -4.195 -14.094 -14.038 1.00 0.00 O ATOM 376 OE2 GLU A 30 -5.980 -14.729 -13.076 1.00 0.00 O1- ATOM 0 H GLU A 30 -0.004 -14.965 -12.255 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.842 -15.091 -10.149 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.226 -13.997 -12.338 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.200 -15.557 -13.136 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.216 -16.242 -11.859 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.242 -14.680 -11.065 1.00 0.00 H new ATOM 383 N VAL A 31 -2.702 -17.397 -9.846 1.00 0.00 N ATOM 384 CA VAL A 31 -2.990 -18.779 -9.482 1.00 0.00 C ATOM 385 C VAL A 31 -4.463 -18.963 -9.140 1.00 0.00 C ATOM 386 O VAL A 31 -4.807 -19.358 -8.026 1.00 0.00 O ATOM 387 CB VAL A 31 -2.130 -19.205 -8.278 1.00 0.00 C ATOM 388 CG1 VAL A 31 -0.683 -19.409 -8.702 1.00 0.00 C ATOM 389 CG2 VAL A 31 -2.226 -18.160 -7.177 1.00 0.00 C ATOM 0 H VAL A 31 -3.148 -16.702 -9.247 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.750 -19.405 -10.342 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.506 -20.153 -7.893 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.090 -19.710 -7.838 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.633 -20.186 -9.465 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.288 -18.477 -9.107 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.615 -18.468 -6.329 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.868 -17.202 -7.553 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.264 -18.060 -6.859 1.00 0.00 H new ATOM 399 N GLY A 32 -5.330 -18.674 -10.105 1.00 0.00 N ATOM 400 CA GLY A 32 -6.768 -18.819 -9.911 1.00 0.00 C ATOM 401 C GLY A 32 -7.463 -19.199 -11.212 1.00 0.00 C ATOM 402 O GLY A 32 -6.812 -19.556 -12.194 1.00 0.00 O ATOM 0 H GLY A 32 -5.061 -18.338 -11.030 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.961 -19.581 -9.156 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.183 -17.884 -9.533 1.00 0.00 H new ATOM 406 N LEU A 33 -8.789 -19.119 -11.214 1.00 0.00 N ATOM 407 CA LEU A 33 -9.579 -19.500 -12.379 1.00 0.00 C ATOM 408 C LEU A 33 -10.248 -18.287 -13.012 1.00 0.00 C ATOM 409 O LEU A 33 -10.383 -17.240 -12.379 1.00 0.00 O ATOM 410 CB LEU A 33 -10.644 -20.531 -11.983 1.00 0.00 C ATOM 411 CG LEU A 33 -10.114 -21.828 -11.359 1.00 0.00 C ATOM 412 CD1 LEU A 33 -11.286 -22.698 -10.924 1.00 0.00 C ATOM 413 CD2 LEU A 33 -9.237 -22.556 -12.367 1.00 0.00 C ATOM 0 H LEU A 33 -9.340 -18.793 -10.420 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.903 -19.941 -13.112 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.331 -20.064 -11.277 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.224 -20.787 -12.870 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.510 -21.599 -10.481 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.910 -23.620 -10.480 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.885 -22.160 -10.189 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.903 -22.937 -11.790 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.861 -23.478 -11.923 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.823 -22.794 -13.255 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.398 -21.919 -12.646 1.00 0.00 H new ATOM 425 N PRO A 34 -10.666 -18.434 -14.264 1.00 0.00 N ATOM 426 CA PRO A 34 -11.292 -17.340 -14.997 1.00 0.00 C ATOM 427 C PRO A 34 -12.454 -16.745 -14.212 1.00 0.00 C ATOM 428 O PRO A 34 -12.657 -15.531 -14.210 1.00 0.00 O ATOM 429 CB PRO A 34 -11.770 -18.017 -16.286 1.00 0.00 C ATOM 430 CG PRO A 34 -10.783 -19.111 -16.511 1.00 0.00 C ATOM 431 CD PRO A 34 -10.484 -19.636 -15.132 1.00 0.00 C ATOM 0 HA PRO A 34 -10.618 -16.503 -15.182 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -12.781 -18.409 -16.179 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -11.786 -17.317 -17.121 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -11.194 -19.891 -17.152 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.882 -18.739 -16.998 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.162 -20.442 -14.852 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.471 -20.033 -15.063 1.00 0.00 H new ATOM 439 N HIS A 35 -13.213 -17.607 -13.544 1.00 0.00 N ATOM 440 CA HIS A 35 -14.387 -17.174 -12.796 1.00 0.00 C ATOM 441 C HIS A 35 -14.033 -16.860 -11.348 1.00 0.00 C ATOM 442 O HIS A 35 -14.845 -16.307 -10.606 1.00 0.00 O ATOM 443 CB HIS A 35 -15.482 -18.245 -12.839 1.00 0.00 C ATOM 444 CG HIS A 35 -15.043 -19.575 -12.311 1.00 0.00 C ATOM 445 ND1 HIS A 35 -14.944 -19.845 -10.962 1.00 0.00 N ATOM 446 CD2 HIS A 35 -14.676 -20.711 -12.950 1.00 0.00 C ATOM 447 CE1 HIS A 35 -14.535 -21.091 -10.795 1.00 0.00 C ATOM 448 NE2 HIS A 35 -14.366 -21.637 -11.985 1.00 0.00 N ATOM 0 H HIS A 35 -13.036 -18.611 -13.505 1.00 0.00 H new ATOM 0 HA HIS A 35 -14.759 -16.264 -13.267 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -16.339 -17.899 -12.261 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -15.820 -18.366 -13.868 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -14.635 -20.861 -14.019 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.368 -21.579 -9.846 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -14.055 -22.593 -12.159 1.00 0.00 H new ATOM 455 N GLU A 36 -12.816 -17.216 -10.951 1.00 0.00 N ATOM 456 CA GLU A 36 -12.360 -16.993 -9.585 1.00 0.00 C ATOM 457 C GLU A 36 -10.852 -16.780 -9.535 1.00 0.00 C ATOM 458 O GLU A 36 -10.111 -17.629 -9.039 1.00 0.00 O ATOM 459 CB GLU A 36 -12.747 -18.175 -8.694 1.00 0.00 C ATOM 460 CG GLU A 36 -12.525 -17.940 -7.206 1.00 0.00 C ATOM 461 CD GLU A 36 -12.893 -19.131 -6.365 1.00 0.00 C ATOM 462 OE1 GLU A 36 -13.244 -20.143 -6.922 1.00 0.00 O ATOM 463 OE2 GLU A 36 -12.822 -19.028 -5.163 1.00 0.00 O1- ATOM 0 H GLU A 36 -12.127 -17.661 -11.557 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.847 -16.091 -9.215 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.798 -18.410 -8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.173 -19.049 -9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.478 -17.690 -7.035 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.114 -17.080 -6.887 1.00 0.00 H new ATOM 470 N ARG A 37 -10.403 -15.641 -10.052 1.00 0.00 N ATOM 471 CA ARG A 37 -8.977 -15.373 -10.193 1.00 0.00 C ATOM 472 C ARG A 37 -8.337 -15.074 -8.843 1.00 0.00 C ATOM 473 O ARG A 37 -8.956 -14.460 -7.974 1.00 0.00 O ATOM 474 CB ARG A 37 -8.743 -14.199 -11.133 1.00 0.00 C ATOM 475 CG ARG A 37 -9.161 -14.441 -12.574 1.00 0.00 C ATOM 476 CD ARG A 37 -8.898 -13.255 -13.429 1.00 0.00 C ATOM 477 NE ARG A 37 -9.382 -13.447 -14.787 1.00 0.00 N ATOM 478 CZ ARG A 37 -8.698 -14.080 -15.760 1.00 0.00 C ATOM 479 NH1 ARG A 37 -7.506 -14.575 -15.511 1.00 0.00 N1+ ATOM 480 NH2 ARG A 37 -9.226 -14.203 -16.965 1.00 0.00 N ATOM 0 H ARG A 37 -11.007 -14.888 -10.381 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.515 -16.268 -10.610 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.286 -13.334 -10.753 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.684 -13.943 -11.115 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.622 -15.302 -12.970 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.222 -14.686 -12.609 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.379 -12.379 -12.993 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.827 -13.053 -13.450 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.304 -13.077 -15.019 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.098 -14.480 -14.581 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.989 -15.054 -16.248 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.151 -13.819 -17.158 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.709 -14.682 -17.702 1.00 0.00 H new ATOM 494 N LEU A 38 -7.094 -15.512 -8.674 1.00 0.00 N ATOM 495 CA LEU A 38 -6.355 -15.261 -7.442 1.00 0.00 C ATOM 496 C LEU A 38 -4.967 -14.705 -7.737 1.00 0.00 C ATOM 497 O LEU A 38 -4.263 -15.200 -8.617 1.00 0.00 O ATOM 498 CB LEU A 38 -6.232 -16.553 -6.625 1.00 0.00 C ATOM 499 CG LEU A 38 -7.554 -17.166 -6.148 1.00 0.00 C ATOM 500 CD1 LEU A 38 -7.288 -18.535 -5.535 1.00 0.00 C ATOM 501 CD2 LEU A 38 -8.212 -16.235 -5.141 1.00 0.00 C ATOM 0 H LEU A 38 -6.577 -16.043 -9.375 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.908 -14.519 -6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.706 -17.293 -7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.610 -16.352 -5.753 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.231 -17.293 -6.992 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.228 -18.971 -5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.835 -19.186 -6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.611 -18.429 -4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.152 -16.671 -4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.549 -16.095 -4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.408 -15.271 -5.611 1.00 0.00 H new ATOM 513 N PHE A 39 -4.579 -13.673 -6.995 1.00 0.00 N ATOM 514 CA PHE A 39 -3.313 -12.990 -7.234 1.00 0.00 C ATOM 515 C PHE A 39 -2.475 -12.923 -5.965 1.00 0.00 C ATOM 516 O PHE A 39 -3.009 -12.911 -4.856 1.00 0.00 O ATOM 517 CB PHE A 39 -3.561 -11.577 -7.764 1.00 0.00 C ATOM 518 CG PHE A 39 -4.281 -11.540 -9.082 1.00 0.00 C ATOM 519 CD1 PHE A 39 -5.667 -11.515 -9.130 1.00 0.00 C ATOM 520 CD2 PHE A 39 -3.575 -11.532 -10.275 1.00 0.00 C ATOM 521 CE1 PHE A 39 -6.331 -11.482 -10.342 1.00 0.00 C ATOM 522 CE2 PHE A 39 -4.235 -11.497 -11.487 1.00 0.00 C ATOM 523 CZ PHE A 39 -5.615 -11.473 -11.521 1.00 0.00 C ATOM 0 H PHE A 39 -5.124 -13.291 -6.222 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.763 -13.563 -7.980 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.141 -11.020 -7.028 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.604 -11.066 -7.869 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.234 -11.521 -8.211 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.495 -11.553 -10.256 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.411 -11.463 -10.366 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.672 -11.488 -12.409 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.133 -11.447 -12.468 1.00 0.00 H new ATOM 533 N THR A 40 -1.157 -12.879 -6.133 1.00 0.00 N ATOM 534 CA THR A 40 -0.242 -12.805 -5.001 1.00 0.00 C ATOM 535 C THR A 40 0.762 -11.673 -5.178 1.00 0.00 C ATOM 536 O THR A 40 1.400 -11.554 -6.224 1.00 0.00 O ATOM 537 CB THR A 40 0.507 -14.136 -4.806 1.00 0.00 C ATOM 538 OG1 THR A 40 -0.439 -15.197 -4.619 1.00 0.00 O ATOM 539 CG2 THR A 40 1.424 -14.059 -3.594 1.00 0.00 C ATOM 0 H THR A 40 -0.699 -12.893 -7.044 1.00 0.00 H new ATOM 0 HA THR A 40 -0.842 -12.605 -4.113 1.00 0.00 H new ATOM 0 HB THR A 40 1.110 -14.330 -5.693 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.039 -16.044 -4.497 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.945 -15.008 -3.471 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.152 -13.261 -3.739 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.832 -13.852 -2.702 1.00 0.00 H new ATOM 547 N ILE A 41 0.899 -10.844 -4.149 1.00 0.00 N ATOM 548 CA ILE A 41 1.803 -9.701 -4.201 1.00 0.00 C ATOM 549 C ILE A 41 2.790 -9.726 -3.041 1.00 0.00 C ATOM 550 O ILE A 41 2.402 -9.908 -1.887 1.00 0.00 O ATOM 551 CB ILE A 41 1.016 -8.378 -4.178 1.00 0.00 C ATOM 552 CG1 ILE A 41 0.109 -8.274 -5.406 1.00 0.00 C ATOM 553 CG2 ILE A 41 1.969 -7.194 -4.115 1.00 0.00 C ATOM 554 CD1 ILE A 41 0.860 -8.120 -6.709 1.00 0.00 C ATOM 0 H ILE A 41 0.395 -10.942 -3.268 1.00 0.00 H new ATOM 0 HA ILE A 41 2.359 -9.769 -5.136 1.00 0.00 H new ATOM 0 HB ILE A 41 0.390 -8.363 -3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.516 -9.165 -5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.560 -7.423 -5.281 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.397 -6.267 -4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.574 -7.262 -3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.620 -7.204 -4.989 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.149 -8.053 -7.533 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.464 -7.213 -6.676 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.509 -8.983 -6.859 1.00 0.00 H new ATOM 566 N ALA A 42 4.068 -9.543 -3.355 1.00 0.00 N ATOM 567 CA ALA A 42 5.104 -9.467 -2.332 1.00 0.00 C ATOM 568 C ALA A 42 5.640 -8.048 -2.194 1.00 0.00 C ATOM 569 O ALA A 42 5.824 -7.345 -3.188 1.00 0.00 O ATOM 570 CB ALA A 42 6.238 -10.431 -2.654 1.00 0.00 C ATOM 0 H ALA A 42 4.411 -9.445 -4.310 1.00 0.00 H new ATOM 0 HA ALA A 42 4.657 -9.752 -1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.004 -10.363 -1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.850 -11.449 -2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.673 -10.172 -3.619 1.00 0.00 H new ATOM 576 N CYS A 43 5.887 -7.632 -0.957 1.00 0.00 N ATOM 577 CA CYS A 43 6.442 -6.310 -0.690 1.00 0.00 C ATOM 578 C CYS A 43 7.644 -6.395 0.242 1.00 0.00 C ATOM 579 O CYS A 43 7.669 -7.207 1.167 1.00 0.00 O ATOM 580 CB CYS A 43 5.384 -5.399 -0.066 1.00 0.00 C ATOM 581 SG CYS A 43 3.965 -5.073 -1.139 1.00 0.00 S ATOM 0 H CYS A 43 5.712 -8.192 -0.122 1.00 0.00 H new ATOM 0 HA CYS A 43 6.765 -5.892 -1.644 1.00 0.00 H new ATOM 0 HB2 CYS A 43 5.029 -5.853 0.860 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.849 -4.450 0.202 1.00 0.00 H new ATOM 0 HG CYS A 43 3.125 -4.296 -0.523 1.00 0.00 H new ATOM 587 N SER A 44 8.640 -5.551 -0.007 1.00 0.00 N ATOM 588 CA SER A 44 9.890 -5.600 0.741 1.00 0.00 C ATOM 589 C SER A 44 10.274 -4.221 1.263 1.00 0.00 C ATOM 590 O SER A 44 10.357 -3.259 0.499 1.00 0.00 O ATOM 591 CB SER A 44 11.001 -6.146 -0.134 1.00 0.00 C ATOM 592 OG SER A 44 12.221 -6.165 0.556 1.00 0.00 O ATOM 0 H SER A 44 8.605 -4.824 -0.722 1.00 0.00 H new ATOM 0 HA SER A 44 9.745 -6.261 1.595 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.749 -7.155 -0.461 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.096 -5.534 -1.031 1.00 0.00 H new ATOM 0 HG SER A 44 12.056 -6.335 1.507 1.00 0.00 H new ATOM 598 N ILE A 45 10.506 -4.131 2.568 1.00 0.00 N ATOM 599 CA ILE A 45 10.823 -2.858 3.204 1.00 0.00 C ATOM 600 C ILE A 45 12.080 -2.966 4.057 1.00 0.00 C ATOM 601 O ILE A 45 12.176 -3.827 4.932 1.00 0.00 O ATOM 602 CB ILE A 45 9.650 -2.373 4.076 1.00 0.00 C ATOM 603 CG1 ILE A 45 8.388 -2.201 3.226 1.00 0.00 C ATOM 604 CG2 ILE A 45 10.008 -1.070 4.773 1.00 0.00 C ATOM 605 CD1 ILE A 45 8.482 -1.084 2.213 1.00 0.00 C ATOM 0 H ILE A 45 10.480 -4.926 3.207 1.00 0.00 H new ATOM 0 HA ILE A 45 11.000 -2.133 2.409 1.00 0.00 H new ATOM 0 HB ILE A 45 9.451 -3.126 4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.183 -3.136 2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.541 -2.011 3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.168 -0.742 5.385 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.880 -1.225 5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.233 -0.308 4.027 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.551 -1.024 1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.656 -0.139 2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.308 -1.281 1.529 1.00 0.00 H new ATOM 617 N LEU A 46 13.042 -2.087 3.797 1.00 0.00 N ATOM 618 CA LEU A 46 14.276 -2.051 4.573 1.00 0.00 C ATOM 619 C LEU A 46 15.006 -3.387 4.510 1.00 0.00 C ATOM 620 O LEU A 46 15.711 -3.675 3.543 1.00 0.00 O ATOM 621 CB LEU A 46 13.975 -1.695 6.034 1.00 0.00 C ATOM 622 CG LEU A 46 15.198 -1.516 6.941 1.00 0.00 C ATOM 623 CD1 LEU A 46 16.001 -0.307 6.481 1.00 0.00 C ATOM 624 CD2 LEU A 46 14.742 -1.353 8.383 1.00 0.00 C ATOM 0 H LEU A 46 12.991 -1.390 3.054 1.00 0.00 H new ATOM 0 HA LEU A 46 14.920 -1.286 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 46 13.395 -0.773 6.052 1.00 0.00 H new ATOM 0 HB3 LEU A 46 13.344 -2.477 6.456 1.00 0.00 H new ATOM 0 HG LEU A 46 15.838 -2.396 6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.870 -0.181 7.126 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.331 -0.459 5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.377 0.585 6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 46 15.612 -1.226 9.027 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.099 -0.477 8.464 1.00 0.00 H new ATOM 0 HD23 LEU A 46 14.188 -2.240 8.692 1.00 0.00 H new ATOM 636 N ASN A 47 14.831 -4.200 5.546 1.00 0.00 N ATOM 637 CA ASN A 47 15.502 -5.492 5.628 1.00 0.00 C ATOM 638 C ASN A 47 14.497 -6.627 5.775 1.00 0.00 C ATOM 639 O ASN A 47 14.845 -7.725 6.209 1.00 0.00 O ATOM 640 CB ASN A 47 16.495 -5.506 6.776 1.00 0.00 C ATOM 641 CG ASN A 47 17.655 -4.578 6.547 1.00 0.00 C ATOM 642 OD1 ASN A 47 18.093 -4.380 5.408 1.00 0.00 O ATOM 643 ND2 ASN A 47 18.163 -4.005 7.609 1.00 0.00 N ATOM 0 H ASN A 47 14.229 -3.987 6.342 1.00 0.00 H new ATOM 0 HA ASN A 47 16.047 -5.646 4.697 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.985 -5.224 7.697 1.00 0.00 H new ATOM 0 HB3 ASN A 47 16.868 -6.520 6.917 1.00 0.00 H new ATOM 0 HD21 ASN A 47 18.952 -3.366 7.515 1.00 0.00 H new ATOM 0 HD22 ASN A 47 17.769 -4.198 8.530 1.00 0.00 H new ATOM 650 N TYR A 48 13.249 -6.356 5.409 1.00 0.00 N ATOM 651 CA TYR A 48 12.166 -7.311 5.614 1.00 0.00 C ATOM 652 C TYR A 48 11.352 -7.502 4.340 1.00 0.00 C ATOM 653 O TYR A 48 11.443 -6.703 3.408 1.00 0.00 O ATOM 654 CB TYR A 48 11.259 -6.855 6.759 1.00 0.00 C ATOM 655 CG TYR A 48 11.986 -6.652 8.070 1.00 0.00 C ATOM 656 CD1 TYR A 48 12.531 -5.414 8.376 1.00 0.00 C ATOM 657 CD2 TYR A 48 12.108 -7.704 8.965 1.00 0.00 C ATOM 658 CE1 TYR A 48 13.196 -5.228 9.573 1.00 0.00 C ATOM 659 CE2 TYR A 48 12.772 -7.518 10.162 1.00 0.00 C ATOM 660 CZ TYR A 48 13.315 -6.287 10.467 1.00 0.00 C ATOM 661 OH TYR A 48 13.976 -6.102 11.659 1.00 0.00 O ATOM 0 H TYR A 48 12.962 -5.482 4.968 1.00 0.00 H new ATOM 0 HA TYR A 48 12.611 -8.270 5.879 1.00 0.00 H new ATOM 0 HB2 TYR A 48 10.773 -5.921 6.475 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.471 -7.594 6.902 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.436 -4.595 7.679 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.684 -8.668 8.726 1.00 0.00 H new ATOM 0 HE1 TYR A 48 13.621 -4.265 9.813 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.866 -8.337 10.860 1.00 0.00 H new ATOM 0 HH TYR A 48 13.970 -6.938 12.170 1.00 0.00 H new ATOM 671 N ARG A 49 10.558 -8.566 4.306 1.00 0.00 N ATOM 672 CA ARG A 49 9.711 -8.853 3.154 1.00 0.00 C ATOM 673 C ARG A 49 8.521 -9.720 3.548 1.00 0.00 C ATOM 674 O ARG A 49 8.681 -10.750 4.203 1.00 0.00 O ATOM 675 CB ARG A 49 10.507 -9.556 2.065 1.00 0.00 C ATOM 676 CG ARG A 49 9.767 -9.743 0.750 1.00 0.00 C ATOM 677 CD ARG A 49 10.648 -10.313 -0.300 1.00 0.00 C ATOM 678 NE ARG A 49 9.905 -10.662 -1.500 1.00 0.00 N ATOM 679 CZ ARG A 49 10.448 -10.785 -2.728 1.00 0.00 C ATOM 680 NH1 ARG A 49 11.736 -10.584 -2.900 1.00 0.00 N1+ ATOM 681 NH2 ARG A 49 9.686 -11.107 -3.758 1.00 0.00 N ATOM 0 H ARG A 49 10.483 -9.245 5.064 1.00 0.00 H new ATOM 0 HA ARG A 49 9.342 -7.900 2.774 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.417 -8.986 1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.815 -10.534 2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.912 -10.401 0.904 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.374 -8.783 0.414 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.426 -9.592 -0.552 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.148 -11.200 0.088 1.00 0.00 H new ATOM 0 HE ARG A 49 8.903 -10.825 -1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.324 -10.335 -2.105 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.147 -10.677 -3.829 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.687 -11.263 -3.624 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.097 -11.200 -4.687 1.00 0.00 H new ATOM 695 N GLU A 50 7.328 -9.296 3.145 1.00 0.00 N ATOM 696 CA GLU A 50 6.122 -10.086 3.359 1.00 0.00 C ATOM 697 C GLU A 50 5.187 -10.001 2.160 1.00 0.00 C ATOM 698 O GLU A 50 5.271 -9.069 1.360 1.00 0.00 O ATOM 699 CB GLU A 50 5.393 -9.617 4.621 1.00 0.00 C ATOM 700 CG GLU A 50 6.086 -9.991 5.923 1.00 0.00 C ATOM 701 CD GLU A 50 6.053 -11.468 6.200 1.00 0.00 C ATOM 702 OE1 GLU A 50 5.280 -12.154 5.574 1.00 0.00 O ATOM 703 OE2 GLU A 50 6.801 -11.912 7.039 1.00 0.00 O1- ATOM 0 H GLU A 50 7.171 -8.408 2.668 1.00 0.00 H new ATOM 0 HA GLU A 50 6.424 -11.126 3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.283 -8.533 4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.388 -10.040 4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.123 -9.657 5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.609 -9.461 6.748 1.00 0.00 H new ATOM 710 N MET A 51 4.296 -10.980 2.040 1.00 0.00 N ATOM 711 CA MET A 51 3.421 -11.081 0.877 1.00 0.00 C ATOM 712 C MET A 51 1.994 -11.415 1.290 1.00 0.00 C ATOM 713 O MET A 51 1.757 -11.929 2.384 1.00 0.00 O ATOM 714 CB MET A 51 3.955 -12.131 -0.095 1.00 0.00 C ATOM 715 CG MET A 51 3.951 -13.553 0.449 1.00 0.00 C ATOM 716 SD MET A 51 4.710 -14.733 -0.684 1.00 0.00 S ATOM 717 CE MET A 51 6.431 -14.252 -0.570 1.00 0.00 C ATOM 0 H MET A 51 4.161 -11.715 2.734 1.00 0.00 H new ATOM 0 HA MET A 51 3.407 -10.112 0.377 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.357 -12.102 -1.006 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.975 -11.865 -0.374 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.483 -13.575 1.400 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.924 -13.858 0.650 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.059 -15.053 -0.961 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.595 -13.345 -1.152 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.688 -14.065 0.473 1.00 0.00 H new ATOM 727 N GLY A 52 1.044 -11.121 0.408 1.00 0.00 N ATOM 728 CA GLY A 52 -0.364 -11.378 0.685 1.00 0.00 C ATOM 729 C GLY A 52 -1.083 -11.896 -0.554 1.00 0.00 C ATOM 730 O GLY A 52 -0.624 -11.695 -1.679 1.00 0.00 O ATOM 0 H GLY A 52 1.224 -10.704 -0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.452 -12.107 1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.843 -10.462 1.030 1.00 0.00 H new ATOM 734 N LYS A 53 -2.212 -12.564 -0.342 1.00 0.00 N ATOM 735 CA LYS A 53 -2.985 -13.132 -1.440 1.00 0.00 C ATOM 736 C LYS A 53 -4.427 -12.644 -1.408 1.00 0.00 C ATOM 737 O LYS A 53 -4.999 -12.436 -0.338 1.00 0.00 O ATOM 738 CB LYS A 53 -2.945 -14.660 -1.389 1.00 0.00 C ATOM 739 CG LYS A 53 -1.549 -15.257 -1.511 1.00 0.00 C ATOM 740 CD LYS A 53 -1.596 -16.778 -1.507 1.00 0.00 C ATOM 741 CE LYS A 53 -0.200 -17.376 -1.588 1.00 0.00 C ATOM 742 NZ LYS A 53 -0.229 -18.864 -1.557 1.00 0.00 N1+ ATOM 0 H LYS A 53 -2.612 -12.725 0.582 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.533 -12.798 -2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.388 -14.992 -0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.567 -15.055 -2.192 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.081 -14.908 -2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.928 -14.908 -0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.091 -17.126 -0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.193 -17.127 -2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.285 -17.042 -2.505 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.401 -17.008 -0.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.742 -19.231 -1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.669 -19.184 -0.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.781 -19.217 -2.365 1.00 0.00 H new ATOM 756 N GLY A 54 -5.012 -12.463 -2.587 1.00 0.00 N ATOM 757 CA GLY A 54 -6.379 -11.969 -2.697 1.00 0.00 C ATOM 758 C GLY A 54 -7.002 -12.364 -4.030 1.00 0.00 C ATOM 759 O GLY A 54 -6.385 -13.065 -4.831 1.00 0.00 O ATOM 0 H GLY A 54 -4.559 -12.652 -3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.980 -12.368 -1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.385 -10.884 -2.597 1.00 0.00 H new ATOM 763 N LYS A 55 -8.229 -11.910 -4.261 1.00 0.00 N ATOM 764 CA LYS A 55 -8.931 -12.199 -5.506 1.00 0.00 C ATOM 765 C LYS A 55 -8.592 -11.174 -6.580 1.00 0.00 C ATOM 766 O LYS A 55 -9.003 -11.310 -7.733 1.00 0.00 O ATOM 767 CB LYS A 55 -10.442 -12.236 -5.273 1.00 0.00 C ATOM 768 CG LYS A 55 -10.913 -13.375 -4.377 1.00 0.00 C ATOM 769 CD LYS A 55 -12.421 -13.335 -4.179 1.00 0.00 C ATOM 770 CE LYS A 55 -12.893 -14.473 -3.286 1.00 0.00 C ATOM 771 NZ LYS A 55 -14.367 -14.445 -3.082 1.00 0.00 N1+ ATOM 0 H LYS A 55 -8.758 -11.340 -3.602 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.603 -13.178 -5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.752 -11.290 -4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.944 -12.317 -6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.627 -14.330 -4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.415 -13.309 -3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.706 -12.381 -3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.919 -13.399 -5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.606 -15.426 -3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.392 -14.408 -2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.648 -15.236 -2.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.638 -13.546 -2.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.846 -14.533 -4.001 1.00 0.00 H new ATOM 785 N SER A 56 -7.840 -10.149 -6.196 1.00 0.00 N ATOM 786 CA SER A 56 -7.338 -9.167 -7.150 1.00 0.00 C ATOM 787 C SER A 56 -5.948 -8.680 -6.760 1.00 0.00 C ATOM 788 O SER A 56 -5.516 -8.856 -5.620 1.00 0.00 O ATOM 789 CB SER A 56 -8.289 -7.990 -7.238 1.00 0.00 C ATOM 790 OG SER A 56 -8.260 -7.232 -6.060 1.00 0.00 O ATOM 0 H SER A 56 -7.564 -9.976 -5.229 1.00 0.00 H new ATOM 0 HA SER A 56 -7.270 -9.650 -8.125 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.018 -7.361 -8.086 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.302 -8.349 -7.419 1.00 0.00 H new ATOM 0 HG SER A 56 -8.880 -6.477 -6.141 1.00 0.00 H new ATOM 796 N LYS A 57 -5.252 -8.068 -7.711 1.00 0.00 N ATOM 797 CA LYS A 57 -3.938 -7.493 -7.450 1.00 0.00 C ATOM 798 C LYS A 57 -4.017 -6.392 -6.400 1.00 0.00 C ATOM 799 O LYS A 57 -3.122 -6.252 -5.566 1.00 0.00 O ATOM 800 CB LYS A 57 -3.326 -6.945 -8.741 1.00 0.00 C ATOM 801 CG LYS A 57 -2.904 -8.014 -9.739 1.00 0.00 C ATOM 802 CD LYS A 57 -2.303 -7.394 -10.992 1.00 0.00 C ATOM 803 CE LYS A 57 -1.910 -8.459 -12.005 1.00 0.00 C ATOM 804 NZ LYS A 57 -1.363 -7.865 -13.254 1.00 0.00 N1+ ATOM 0 H LYS A 57 -5.577 -7.957 -8.672 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.298 -8.287 -7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.048 -6.284 -9.219 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.457 -6.338 -8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.177 -8.680 -9.276 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.767 -8.623 -10.010 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.022 -6.710 -11.442 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.427 -6.804 -10.723 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.167 -9.123 -11.563 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.780 -9.070 -12.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.108 -8.625 -13.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.081 -7.252 -13.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.517 -7.303 -13.030 1.00 0.00 H new ATOM 818 N LYS A 58 -5.093 -5.614 -6.445 1.00 0.00 N ATOM 819 CA LYS A 58 -5.300 -4.537 -5.485 1.00 0.00 C ATOM 820 C LYS A 58 -5.447 -5.082 -4.070 1.00 0.00 C ATOM 821 O LYS A 58 -4.833 -4.573 -3.132 1.00 0.00 O ATOM 822 CB LYS A 58 -6.533 -3.714 -5.861 1.00 0.00 C ATOM 823 CG LYS A 58 -6.366 -2.870 -7.118 1.00 0.00 C ATOM 824 CD LYS A 58 -7.631 -2.084 -7.429 1.00 0.00 C ATOM 825 CE LYS A 58 -7.476 -1.264 -8.700 1.00 0.00 C ATOM 826 NZ LYS A 58 -8.717 -0.511 -9.032 1.00 0.00 N1+ ATOM 0 H LYS A 58 -5.836 -5.710 -7.137 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.422 -3.892 -5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.377 -4.389 -6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.785 -3.058 -5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.531 -2.182 -6.988 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.120 -3.515 -7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.471 -2.771 -7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.865 -1.423 -6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.648 -0.565 -8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.220 -1.924 -9.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.569 0.035 -9.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.502 -1.179 -9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.948 0.138 -8.253 1.00 0.00 H new ATOM 840 N ILE A 59 -6.263 -6.119 -3.922 1.00 0.00 N ATOM 841 CA ILE A 59 -6.454 -6.766 -2.629 1.00 0.00 C ATOM 842 C ILE A 59 -5.148 -7.348 -2.106 1.00 0.00 C ATOM 843 O ILE A 59 -4.800 -7.169 -0.939 1.00 0.00 O ATOM 844 CB ILE A 59 -7.513 -7.880 -2.723 1.00 0.00 C ATOM 845 CG1 ILE A 59 -8.896 -7.282 -2.993 1.00 0.00 C ATOM 846 CG2 ILE A 59 -7.527 -8.709 -1.449 1.00 0.00 C ATOM 847 CD1 ILE A 59 -9.939 -8.305 -3.379 1.00 0.00 C ATOM 0 H ILE A 59 -6.804 -6.531 -4.683 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.801 -6.003 -1.933 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.254 -8.535 -3.555 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.233 -6.752 -2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.813 -6.543 -3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.281 -9.492 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.547 -9.163 -1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.763 -8.067 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -10.892 -7.805 -3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -9.626 -8.818 -4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -10.053 -9.031 -2.574 1.00 0.00 H new ATOM 859 N ALA A 60 -4.427 -8.047 -2.977 1.00 0.00 N ATOM 860 CA ALA A 60 -3.161 -8.666 -2.601 1.00 0.00 C ATOM 861 C ALA A 60 -2.139 -7.619 -2.178 1.00 0.00 C ATOM 862 O ALA A 60 -1.390 -7.819 -1.223 1.00 0.00 O ATOM 863 CB ALA A 60 -2.618 -9.501 -3.751 1.00 0.00 C ATOM 0 H ALA A 60 -4.698 -8.199 -3.949 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.346 -9.319 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.673 -9.957 -3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.335 -10.283 -4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.457 -8.863 -4.620 1.00 0.00 H new ATOM 869 N LYS A 61 -2.114 -6.501 -2.896 1.00 0.00 N ATOM 870 CA LYS A 61 -1.227 -5.394 -2.559 1.00 0.00 C ATOM 871 C LYS A 61 -1.528 -4.851 -1.168 1.00 0.00 C ATOM 872 O LYS A 61 -0.619 -4.622 -0.370 1.00 0.00 O ATOM 873 CB LYS A 61 -1.347 -4.276 -3.597 1.00 0.00 C ATOM 874 CG LYS A 61 -0.652 -4.570 -4.920 1.00 0.00 C ATOM 875 CD LYS A 61 -0.891 -3.456 -5.928 1.00 0.00 C ATOM 876 CE LYS A 61 -0.221 -3.761 -7.260 1.00 0.00 C ATOM 877 NZ LYS A 61 -0.452 -2.682 -8.259 1.00 0.00 N1+ ATOM 0 H LYS A 61 -2.699 -6.338 -3.716 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.205 -5.773 -2.563 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.403 -4.087 -3.789 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.931 -3.360 -3.177 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.419 -4.689 -4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.018 -5.514 -5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.962 -3.324 -6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.507 -2.516 -5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.850 -3.890 -7.106 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.602 -4.705 -7.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.021 -2.929 -9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.473 -2.576 -8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.065 -1.786 -7.898 1.00 0.00 H new ATOM 891 N ARG A 62 -2.809 -4.647 -0.882 1.00 0.00 N ATOM 892 CA ARG A 62 -3.232 -4.122 0.411 1.00 0.00 C ATOM 893 C ARG A 62 -2.848 -5.069 1.541 1.00 0.00 C ATOM 894 O ARG A 62 -2.334 -4.640 2.575 1.00 0.00 O ATOM 895 CB ARG A 62 -4.737 -3.897 0.432 1.00 0.00 C ATOM 896 CG ARG A 62 -5.219 -2.725 -0.407 1.00 0.00 C ATOM 897 CD ARG A 62 -6.702 -2.647 -0.440 1.00 0.00 C ATOM 898 NE ARG A 62 -7.169 -1.544 -1.265 1.00 0.00 N ATOM 899 CZ ARG A 62 -8.464 -1.277 -1.524 1.00 0.00 C ATOM 900 NH1 ARG A 62 -9.407 -2.040 -1.016 1.00 0.00 N1+ ATOM 901 NH2 ARG A 62 -8.787 -0.249 -2.288 1.00 0.00 N ATOM 0 H ARG A 62 -3.574 -4.838 -1.529 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.722 -3.170 0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.230 -4.804 0.082 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.052 -3.741 1.464 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.815 -1.797 -0.003 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.837 -2.823 -1.423 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.106 -3.584 -0.824 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.082 -2.528 0.575 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.467 -0.929 -1.676 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.158 -2.834 -0.426 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.387 -1.838 -1.212 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.056 0.343 -2.682 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.767 -0.047 -2.484 1.00 0.00 H new ATOM 915 N LEU A 63 -3.099 -6.357 1.338 1.00 0.00 N ATOM 916 CA LEU A 63 -2.805 -7.364 2.351 1.00 0.00 C ATOM 917 C LEU A 63 -1.303 -7.551 2.522 1.00 0.00 C ATOM 918 O LEU A 63 -0.821 -7.812 3.624 1.00 0.00 O ATOM 919 CB LEU A 63 -3.453 -8.702 1.973 1.00 0.00 C ATOM 920 CG LEU A 63 -4.985 -8.740 2.036 1.00 0.00 C ATOM 921 CD1 LEU A 63 -5.485 -10.055 1.454 1.00 0.00 C ATOM 922 CD2 LEU A 63 -5.438 -8.574 3.479 1.00 0.00 C ATOM 0 H LEU A 63 -3.506 -6.729 0.480 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.219 -7.016 3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.143 -8.962 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.061 -9.474 2.635 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.402 -7.923 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.574 -10.082 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.162 -10.140 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.077 -10.886 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.527 -8.601 3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.030 -9.384 4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.083 -7.618 3.864 1.00 0.00 H new ATOM 934 N ALA A 64 -0.566 -7.415 1.424 1.00 0.00 N ATOM 935 CA ALA A 64 0.890 -7.476 1.466 1.00 0.00 C ATOM 936 C ALA A 64 1.465 -6.337 2.298 1.00 0.00 C ATOM 937 O ALA A 64 2.343 -6.549 3.135 1.00 0.00 O ATOM 938 CB ALA A 64 1.462 -7.442 0.056 1.00 0.00 C ATOM 0 H ALA A 64 -0.954 -7.262 0.493 1.00 0.00 H new ATOM 0 HA ALA A 64 1.174 -8.416 1.939 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.550 -7.488 0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.087 -8.295 -0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.159 -6.518 -0.437 1.00 0.00 H new ATOM 944 N ALA A 65 0.965 -5.129 2.064 1.00 0.00 N ATOM 945 CA ALA A 65 1.394 -3.962 2.827 1.00 0.00 C ATOM 946 C ALA A 65 1.026 -4.100 4.298 1.00 0.00 C ATOM 947 O ALA A 65 1.803 -3.731 5.179 1.00 0.00 O ATOM 948 CB ALA A 65 0.781 -2.696 2.246 1.00 0.00 C ATOM 0 H ALA A 65 0.262 -4.932 1.352 1.00 0.00 H new ATOM 0 HA ALA A 65 2.480 -3.894 2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.110 -1.833 2.825 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.099 -2.580 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.306 -2.767 2.286 1.00 0.00 H new ATOM 954 N HIS A 66 -0.162 -4.635 4.559 1.00 0.00 N ATOM 955 CA HIS A 66 -0.601 -4.898 5.924 1.00 0.00 C ATOM 956 C HIS A 66 0.372 -5.821 6.647 1.00 0.00 C ATOM 957 O HIS A 66 0.902 -5.475 7.703 1.00 0.00 O ATOM 958 CB HIS A 66 -2.002 -5.518 5.932 1.00 0.00 C ATOM 959 CG HIS A 66 -2.469 -5.933 7.293 1.00 0.00 C ATOM 960 ND1 HIS A 66 -2.856 -5.025 8.256 1.00 0.00 N ATOM 961 CD2 HIS A 66 -2.609 -7.158 7.852 1.00 0.00 C ATOM 962 CE1 HIS A 66 -3.216 -5.674 9.349 1.00 0.00 C ATOM 963 NE2 HIS A 66 -3.075 -6.969 9.130 1.00 0.00 N ATOM 0 H HIS A 66 -0.839 -4.895 3.842 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.630 -3.943 6.449 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.710 -4.800 5.518 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.009 -6.387 5.275 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.394 -8.106 7.381 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.566 -5.223 10.266 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -3.279 -7.709 9.802 1.00 0.00 H new ATOM 970 N ARG A 67 0.603 -6.996 6.072 1.00 0.00 N ATOM 971 CA ARG A 67 1.509 -7.973 6.664 1.00 0.00 C ATOM 972 C ARG A 67 2.927 -7.424 6.759 1.00 0.00 C ATOM 973 O ARG A 67 3.652 -7.712 7.712 1.00 0.00 O ATOM 974 CB ARG A 67 1.520 -9.257 5.847 1.00 0.00 C ATOM 975 CG ARG A 67 0.262 -10.103 5.969 1.00 0.00 C ATOM 976 CD ARG A 67 0.291 -11.266 5.045 1.00 0.00 C ATOM 977 NE ARG A 67 -0.827 -12.167 5.272 1.00 0.00 N ATOM 978 CZ ARG A 67 -1.083 -13.269 4.540 1.00 0.00 C ATOM 979 NH1 ARG A 67 -0.293 -13.591 3.540 1.00 0.00 N1+ ATOM 980 NH2 ARG A 67 -2.128 -14.025 4.827 1.00 0.00 N ATOM 0 H ARG A 67 0.175 -7.295 5.196 1.00 0.00 H new ATOM 0 HA ARG A 67 1.147 -8.186 7.670 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.669 -9.002 4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.376 -9.858 6.153 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.159 -10.456 6.995 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.612 -9.489 5.754 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.268 -10.912 4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.227 -11.809 5.174 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.463 -11.950 6.040 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.513 -13.007 3.319 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.486 -14.425 2.986 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.741 -13.774 5.603 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.322 -14.859 4.273 1.00 0.00 H new ATOM 994 N MET A 68 3.316 -6.631 5.767 1.00 0.00 N ATOM 995 CA MET A 68 4.613 -5.965 5.782 1.00 0.00 C ATOM 996 C MET A 68 4.760 -5.074 7.009 1.00 0.00 C ATOM 997 O MET A 68 5.763 -5.140 7.719 1.00 0.00 O ATOM 998 CB MET A 68 4.802 -5.148 4.505 1.00 0.00 C ATOM 999 CG MET A 68 6.189 -4.542 4.345 1.00 0.00 C ATOM 1000 SD MET A 68 7.445 -5.774 3.948 1.00 0.00 S ATOM 1001 CE MET A 68 8.117 -6.108 5.573 1.00 0.00 C ATOM 0 H MET A 68 2.751 -6.433 4.941 1.00 0.00 H new ATOM 0 HA MET A 68 5.387 -6.731 5.829 1.00 0.00 H new ATOM 0 HB2 MET A 68 4.597 -5.787 3.646 1.00 0.00 H new ATOM 0 HB3 MET A 68 4.064 -4.346 4.489 1.00 0.00 H new ATOM 0 HG2 MET A 68 6.163 -3.789 3.558 1.00 0.00 H new ATOM 0 HG3 MET A 68 6.466 -4.030 5.267 1.00 0.00 H new ATOM 0 HE1 MET A 68 8.750 -6.994 5.530 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.709 -5.255 5.904 1.00 0.00 H new ATOM 0 HE3 MET A 68 7.302 -6.278 6.276 1.00 0.00 H new ATOM 1011 N TRP A 69 3.754 -4.242 7.254 1.00 0.00 N ATOM 1012 CA TRP A 69 3.749 -3.368 8.421 1.00 0.00 C ATOM 1013 C TRP A 69 3.881 -4.169 9.710 1.00 0.00 C ATOM 1014 O TRP A 69 4.637 -3.798 10.608 1.00 0.00 O ATOM 1015 CB TRP A 69 2.464 -2.539 8.461 1.00 0.00 C ATOM 1016 CG TRP A 69 2.373 -1.633 9.652 1.00 0.00 C ATOM 1017 CD1 TRP A 69 2.920 -0.391 9.774 1.00 0.00 C ATOM 1018 CD2 TRP A 69 1.690 -1.896 10.901 1.00 0.00 C ATOM 1019 NE1 TRP A 69 2.626 0.135 11.008 1.00 0.00 N ATOM 1020 CE2 TRP A 69 1.873 -0.772 11.710 1.00 0.00 C ATOM 1021 CE3 TRP A 69 0.947 -2.978 11.389 1.00 0.00 C ATOM 1022 CZ2 TRP A 69 1.343 -0.693 12.989 1.00 0.00 C ATOM 1023 CZ3 TRP A 69 0.415 -2.899 12.671 1.00 0.00 C ATOM 1024 CH2 TRP A 69 0.608 -1.786 13.449 1.00 0.00 C ATOM 0 H TRP A 69 2.930 -4.154 6.659 1.00 0.00 H new ATOM 0 HA TRP A 69 4.607 -2.701 8.339 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.399 -1.940 7.553 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.607 -3.212 8.460 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.500 0.107 9.011 1.00 0.00 H new ATOM 0 HE1 TRP A 69 2.920 1.051 11.347 1.00 0.00 H new ATOM 0 HE3 TRP A 69 0.790 -3.857 10.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.493 0.181 13.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.159 -3.727 13.060 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.181 -1.755 14.441 1.00 0.00 H new ATOM 1035 N MET A 70 3.142 -5.270 9.795 1.00 0.00 N ATOM 1036 CA MET A 70 3.198 -6.142 10.961 1.00 0.00 C ATOM 1037 C MET A 70 4.613 -6.658 11.196 1.00 0.00 C ATOM 1038 O MET A 70 5.133 -6.587 12.309 1.00 0.00 O ATOM 1039 CB MET A 70 2.227 -7.309 10.795 1.00 0.00 C ATOM 1040 CG MET A 70 0.757 -6.916 10.844 1.00 0.00 C ATOM 1041 SD MET A 70 -0.345 -8.296 10.477 1.00 0.00 S ATOM 1042 CE MET A 70 -0.091 -9.324 11.921 1.00 0.00 C ATOM 0 H MET A 70 2.496 -5.579 9.069 1.00 0.00 H new ATOM 0 HA MET A 70 2.904 -5.559 11.834 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.428 -7.800 9.843 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.421 -8.041 11.579 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.523 -6.523 11.833 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.576 -6.112 10.130 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.852 -10.104 11.951 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.897 -9.782 11.872 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.164 -8.712 12.820 1.00 0.00 H new ATOM 1052 N ARG A 71 5.230 -7.177 10.140 1.00 0.00 N ATOM 1053 CA ARG A 71 6.602 -7.665 10.218 1.00 0.00 C ATOM 1054 C ARG A 71 7.550 -6.571 10.693 1.00 0.00 C ATOM 1055 O ARG A 71 8.425 -6.813 11.525 1.00 0.00 O ATOM 1056 CB ARG A 71 7.065 -8.180 8.864 1.00 0.00 C ATOM 1057 CG ARG A 71 8.535 -8.561 8.793 1.00 0.00 C ATOM 1058 CD ARG A 71 8.851 -9.700 9.692 1.00 0.00 C ATOM 1059 NE ARG A 71 8.181 -10.922 9.277 1.00 0.00 N ATOM 1060 CZ ARG A 71 8.093 -12.039 10.026 1.00 0.00 C ATOM 1061 NH1 ARG A 71 8.638 -12.073 11.222 1.00 0.00 N1+ ATOM 1062 NH2 ARG A 71 7.460 -13.100 9.557 1.00 0.00 N ATOM 0 H ARG A 71 4.801 -7.271 9.219 1.00 0.00 H new ATOM 0 HA ARG A 71 6.618 -8.481 10.940 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.466 -9.051 8.598 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.866 -7.415 8.113 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.794 -8.824 7.767 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.147 -7.701 9.066 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.929 -9.864 9.705 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.554 -9.451 10.711 1.00 0.00 H new ATOM 0 HE ARG A 71 7.747 -10.935 8.354 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.127 -11.254 11.583 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.571 -12.918 11.789 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.038 -13.073 8.629 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.393 -13.946 10.123 1.00 0.00 H new ATOM 1076 N LEU A 72 7.371 -5.368 10.160 1.00 0.00 N ATOM 1077 CA LEU A 72 8.225 -4.239 10.512 1.00 0.00 C ATOM 1078 C LEU A 72 8.103 -3.896 11.991 1.00 0.00 C ATOM 1079 O LEU A 72 9.093 -3.570 12.646 1.00 0.00 O ATOM 1080 CB LEU A 72 7.859 -3.014 9.665 1.00 0.00 C ATOM 1081 CG LEU A 72 8.196 -3.113 8.172 1.00 0.00 C ATOM 1082 CD1 LEU A 72 7.540 -1.960 7.425 1.00 0.00 C ATOM 1083 CD2 LEU A 72 9.707 -3.094 7.990 1.00 0.00 C ATOM 0 H LEU A 72 6.641 -5.149 9.482 1.00 0.00 H new ATOM 0 HA LEU A 72 9.257 -4.524 10.309 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.789 -2.832 9.766 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.371 -2.144 10.077 1.00 0.00 H new ATOM 0 HG LEU A 72 7.812 -4.048 7.765 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.780 -2.031 6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.459 -2.009 7.557 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.911 -1.014 7.819 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.947 -3.164 6.929 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.110 -2.165 8.392 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.148 -3.939 8.518 1.00 0.00 H new ATOM 1095 N GLN A 73 6.883 -3.972 12.513 1.00 0.00 N ATOM 1096 CA GLN A 73 6.640 -3.733 13.930 1.00 0.00 C ATOM 1097 C GLN A 73 7.248 -4.835 14.787 1.00 0.00 C ATOM 1098 O GLN A 73 7.792 -4.572 15.860 1.00 0.00 O ATOM 1099 CB GLN A 73 5.138 -3.626 14.205 1.00 0.00 C ATOM 1100 CG GLN A 73 4.484 -2.387 13.619 1.00 0.00 C ATOM 1101 CD GLN A 73 5.064 -1.104 14.184 1.00 0.00 C ATOM 1102 OE1 GLN A 73 5.250 -0.972 15.397 1.00 0.00 O ATOM 1103 NE2 GLN A 73 5.353 -0.150 13.307 1.00 0.00 N ATOM 0 H GLN A 73 6.047 -4.198 11.975 1.00 0.00 H new ATOM 0 HA GLN A 73 7.119 -2.790 14.195 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.643 -4.509 13.802 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.976 -3.633 15.283 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.607 -2.392 12.536 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.413 -2.417 13.818 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.183 -0.302 12.313 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.745 0.735 13.627 1.00 0.00 H new ATOM 1112 N GLU A 74 7.154 -6.071 14.308 1.00 0.00 N ATOM 1113 CA GLU A 74 7.734 -7.211 15.008 1.00 0.00 C ATOM 1114 C GLU A 74 9.246 -7.070 15.131 1.00 0.00 C ATOM 1115 O GLU A 74 9.673 -7.045 16.035 1.00 0.00 O ATOM 1116 CB GLU A 74 7.391 -8.514 14.282 1.00 0.00 C ATOM 1117 CG GLU A 74 5.948 -8.969 14.455 1.00 0.00 C ATOM 1118 CD GLU A 74 5.638 -10.230 13.698 1.00 0.00 C ATOM 1119 OE1 GLU A 74 6.500 -10.709 13.001 1.00 0.00 O ATOM 1120 OE2 GLU A 74 4.538 -10.715 13.818 1.00 0.00 O1- ATOM 1121 OXT GLU A 74 9.923 -6.989 14.144 1.00 0.00 O1- ATOM 0 H GLU A 74 6.681 -6.309 13.436 1.00 0.00 H new ATOM 0 HA GLU A 74 7.309 -7.237 16.011 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.594 -8.388 13.219 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.053 -9.301 14.642 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.747 -9.128 15.514 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.280 -8.176 14.120 1.00 0.00 H new TER 1128 GLU A 74