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 Set 1.1: A 14 MET CE :methyl 175:sc= -0.872 (180deg=-0.909) USER MOD Set 1.2: A 15 CYS SG : rot 77:sc= -0.414 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 16 MET CE :methyl -159:sc= -0.0435 (180deg=-0.607) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1) 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 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 43 CYS SG : rot 170:sc= -0.109 USER MOD Single : A 44 SER OG : rot 33:sc= 0.00132 USER MOD Single : A 47 ASN : amide:sc=-0.00269 X(o=-0.0027,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 166:sc=-0.00788 (180deg=-0.239) 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 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= -0.102 K(o=-0.1,f=-0.77) USER MOD Single : A 68 MET CE :methyl 165:sc= -0.962 (180deg=-1.34) USER MOD Single : A 70 MET CE :methyl 167:sc= -0.0085 (180deg=-0.238) USER MOD Single : A 73 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 8 0.625 -1.285 -1.904 1.00 0.00 N ATOM 2 CA ILE A 8 2.049 -0.979 -1.820 1.00 0.00 C ATOM 3 C ILE A 8 2.283 0.520 -1.679 1.00 0.00 C ATOM 4 O ILE A 8 3.341 0.952 -1.222 1.00 0.00 O ATOM 5 CB ILE A 8 2.797 -1.502 -3.059 1.00 0.00 C ATOM 6 CG1 ILE A 8 2.296 -0.797 -4.322 1.00 0.00 C ATOM 7 CG2 ILE A 8 2.631 -3.008 -3.185 1.00 0.00 C ATOM 8 CD1 ILE A 8 3.109 -1.108 -5.558 1.00 0.00 C ATOM 0 HA ILE A 8 2.437 -1.479 -0.933 1.00 0.00 H new ATOM 0 HB ILE A 8 3.858 -1.283 -2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.259 -1.083 -4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.306 0.280 -4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.166 -3.361 -4.067 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.035 -3.494 -2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.573 -3.251 -3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.693 -0.572 -6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.142 -0.796 -5.402 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.079 -2.180 -5.753 1.00 0.00 H new ATOM 20 N GLY A 9 1.289 1.308 -2.073 1.00 0.00 N ATOM 21 CA GLY A 9 1.347 2.756 -1.906 1.00 0.00 C ATOM 22 C GLY A 9 1.548 3.133 -0.444 1.00 0.00 C ATOM 23 O GLY A 9 2.264 4.085 -0.132 1.00 0.00 O ATOM 0 H GLY A 9 0.433 0.968 -2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.163 3.162 -2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.426 3.205 -2.277 1.00 0.00 H new ATOM 27 N TRP A 10 0.913 2.382 0.449 1.00 0.00 N ATOM 28 CA TRP A 10 1.107 2.567 1.882 1.00 0.00 C ATOM 29 C TRP A 10 2.581 2.476 2.255 1.00 0.00 C ATOM 30 O TRP A 10 3.110 3.342 2.951 1.00 0.00 O ATOM 31 CB TRP A 10 0.313 1.520 2.667 1.00 0.00 C ATOM 32 CG TRP A 10 0.546 1.579 4.146 1.00 0.00 C ATOM 33 CD1 TRP A 10 1.280 2.508 4.820 1.00 0.00 C ATOM 34 CD2 TRP A 10 0.039 0.664 5.149 1.00 0.00 C ATOM 35 NE1 TRP A 10 1.266 2.237 6.166 1.00 0.00 N ATOM 36 CE2 TRP A 10 0.510 1.113 6.385 1.00 0.00 C ATOM 37 CE3 TRP A 10 -0.766 -0.481 5.096 1.00 0.00 C ATOM 38 CZ2 TRP A 10 0.208 0.456 7.568 1.00 0.00 C ATOM 39 CZ3 TRP A 10 -1.070 -1.138 6.282 1.00 0.00 C ATOM 40 CH2 TRP A 10 -0.596 -0.681 7.486 1.00 0.00 C ATOM 0 H TRP A 10 0.259 1.638 0.205 1.00 0.00 H new ATOM 0 HA TRP A 10 0.746 3.563 2.140 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -0.750 1.658 2.469 1.00 0.00 H new ATOM 0 HB3 TRP A 10 0.579 0.527 2.305 1.00 0.00 H new ATOM 0 HD1 TRP A 10 1.798 3.338 4.362 1.00 0.00 H new ATOM 0 HE1 TRP A 10 1.740 2.782 6.886 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.143 -0.846 4.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 0.581 0.811 8.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -1.689 -2.022 6.256 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -0.851 -1.214 8.390 1.00 0.00 H new ATOM 51 N LEU A 11 3.240 1.421 1.787 1.00 0.00 N ATOM 52 CA LEU A 11 4.644 1.191 2.109 1.00 0.00 C ATOM 53 C LEU A 11 5.530 2.282 1.520 1.00 0.00 C ATOM 54 O LEU A 11 6.506 2.703 2.140 1.00 0.00 O ATOM 55 CB LEU A 11 5.090 -0.179 1.582 1.00 0.00 C ATOM 56 CG LEU A 11 4.415 -1.394 2.232 1.00 0.00 C ATOM 57 CD1 LEU A 11 4.854 -2.663 1.514 1.00 0.00 C ATOM 58 CD2 LEU A 11 4.778 -1.446 3.708 1.00 0.00 C ATOM 0 H LEU A 11 2.824 0.712 1.183 1.00 0.00 H new ATOM 0 HA LEU A 11 4.747 1.213 3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.903 -0.213 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.168 -0.268 1.721 1.00 0.00 H new ATOM 0 HG LEU A 11 3.332 -1.309 2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.375 -3.526 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.565 -2.606 0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.937 -2.767 1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.299 -2.309 4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.859 -1.531 3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.436 -0.535 4.199 1.00 0.00 H new ATOM 70 N GLN A 12 5.183 2.735 0.320 1.00 0.00 N ATOM 71 CA GLN A 12 5.918 3.810 -0.334 1.00 0.00 C ATOM 72 C GLN A 12 5.860 5.095 0.482 1.00 0.00 C ATOM 73 O GLN A 12 6.882 5.736 0.723 1.00 0.00 O ATOM 74 CB GLN A 12 5.366 4.059 -1.740 1.00 0.00 C ATOM 75 CG GLN A 12 5.665 2.948 -2.732 1.00 0.00 C ATOM 76 CD GLN A 12 4.973 3.161 -4.065 1.00 0.00 C ATOM 77 OE1 GLN A 12 4.196 4.105 -4.233 1.00 0.00 O ATOM 78 NE2 GLN A 12 5.252 2.284 -5.022 1.00 0.00 N ATOM 0 H GLN A 12 4.396 2.374 -0.219 1.00 0.00 H new ATOM 0 HA GLN A 12 6.960 3.500 -0.410 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.286 4.193 -1.676 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.781 4.992 -2.121 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.742 2.886 -2.890 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.350 1.994 -2.310 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.901 1.518 -4.839 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.818 2.376 -5.940 1.00 0.00 H new ATOM 87 N GLU A 13 4.656 5.466 0.907 1.00 0.00 N ATOM 88 CA GLU A 13 4.467 6.652 1.734 1.00 0.00 C ATOM 89 C GLU A 13 5.173 6.506 3.076 1.00 0.00 C ATOM 90 O GLU A 13 5.807 7.444 3.560 1.00 0.00 O ATOM 91 CB GLU A 13 2.976 6.915 1.956 1.00 0.00 C ATOM 92 CG GLU A 13 2.228 7.381 0.716 1.00 0.00 C ATOM 93 CD GLU A 13 0.743 7.472 0.928 1.00 0.00 C ATOM 94 OE1 GLU A 13 0.290 7.109 1.987 1.00 0.00 O ATOM 95 OE2 GLU A 13 0.060 7.906 0.030 1.00 0.00 O1- ATOM 0 H GLU A 13 3.796 4.961 0.692 1.00 0.00 H new ATOM 0 HA GLU A 13 4.905 7.499 1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.509 6.002 2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.865 7.667 2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.607 8.357 0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.431 6.693 -0.105 1.00 0.00 H new ATOM 102 N MET A 14 5.059 5.324 3.673 1.00 0.00 N ATOM 103 CA MET A 14 5.769 5.020 4.910 1.00 0.00 C ATOM 104 C MET A 14 7.262 5.286 4.769 1.00 0.00 C ATOM 105 O MET A 14 7.857 5.990 5.584 1.00 0.00 O ATOM 106 CB MET A 14 5.521 3.569 5.316 1.00 0.00 C ATOM 107 CG MET A 14 6.322 3.108 6.526 1.00 0.00 C ATOM 108 SD MET A 14 6.255 1.321 6.765 1.00 0.00 S ATOM 109 CE MET A 14 7.145 0.753 5.320 1.00 0.00 C ATOM 0 H MET A 14 4.482 4.561 3.320 1.00 0.00 H new ATOM 0 HA MET A 14 5.386 5.676 5.691 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.460 3.440 5.528 1.00 0.00 H new ATOM 0 HB3 MET A 14 5.758 2.923 4.471 1.00 0.00 H new ATOM 0 HG2 MET A 14 7.361 3.416 6.408 1.00 0.00 H new ATOM 0 HG3 MET A 14 5.942 3.604 7.419 1.00 0.00 H new ATOM 0 HE1 MET A 14 7.266 -0.329 5.369 1.00 0.00 H new ATOM 0 HE2 MET A 14 6.586 1.015 4.422 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.126 1.227 5.287 1.00 0.00 H new ATOM 119 N CYS A 15 7.863 4.718 3.728 1.00 0.00 N ATOM 120 CA CYS A 15 9.299 4.845 3.510 1.00 0.00 C ATOM 121 C CYS A 15 9.705 6.305 3.354 1.00 0.00 C ATOM 122 O CYS A 15 10.671 6.759 3.966 1.00 0.00 O ATOM 123 CB CYS A 15 9.724 4.067 2.265 1.00 0.00 C ATOM 124 SG CYS A 15 9.696 2.270 2.472 1.00 0.00 S ATOM 0 H CYS A 15 7.377 4.165 3.022 1.00 0.00 H new ATOM 0 HA CYS A 15 9.801 4.432 4.385 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.066 4.337 1.439 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.731 4.374 1.984 1.00 0.00 H new ATOM 0 HG CYS A 15 8.468 1.846 2.416 1.00 0.00 H new ATOM 130 N MET A 16 8.961 7.036 2.530 1.00 0.00 N ATOM 131 CA MET A 16 9.252 8.442 2.280 1.00 0.00 C ATOM 132 C MET A 16 9.190 9.255 3.566 1.00 0.00 C ATOM 133 O MET A 16 10.062 10.083 3.832 1.00 0.00 O ATOM 134 CB MET A 16 8.280 9.006 1.245 1.00 0.00 C ATOM 135 CG MET A 16 8.517 8.514 -0.176 1.00 0.00 C ATOM 136 SD MET A 16 7.546 9.419 -1.397 1.00 0.00 S ATOM 137 CE MET A 16 5.912 8.756 -1.089 1.00 0.00 C ATOM 0 H MET A 16 8.151 6.677 2.024 1.00 0.00 H new ATOM 0 HA MET A 16 10.267 8.513 1.888 1.00 0.00 H new ATOM 0 HB2 MET A 16 7.263 8.747 1.541 1.00 0.00 H new ATOM 0 HB3 MET A 16 8.348 10.094 1.256 1.00 0.00 H new ATOM 0 HG2 MET A 16 9.576 8.609 -0.417 1.00 0.00 H new ATOM 0 HG3 MET A 16 8.270 7.454 -0.235 1.00 0.00 H new ATOM 0 HE1 MET A 16 5.284 8.913 -1.966 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.986 7.688 -0.882 1.00 0.00 H new ATOM 0 HE3 MET A 16 5.470 9.262 -0.231 1.00 0.00 H new ATOM 147 N GLN A 17 8.154 9.015 4.362 1.00 0.00 N ATOM 148 CA GLN A 17 7.953 9.754 5.603 1.00 0.00 C ATOM 149 C GLN A 17 9.029 9.414 6.627 1.00 0.00 C ATOM 150 O GLN A 17 9.473 10.276 7.385 1.00 0.00 O ATOM 151 CB GLN A 17 6.567 9.461 6.184 1.00 0.00 C ATOM 152 CG GLN A 17 5.421 10.075 5.399 1.00 0.00 C ATOM 153 CD GLN A 17 4.064 9.677 5.949 1.00 0.00 C ATOM 154 OE1 GLN A 17 3.968 8.872 6.880 1.00 0.00 O ATOM 155 NE2 GLN A 17 3.006 10.238 5.375 1.00 0.00 N ATOM 0 H GLN A 17 7.439 8.313 4.170 1.00 0.00 H new ATOM 0 HA GLN A 17 8.024 10.817 5.372 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.425 8.381 6.229 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.529 9.830 7.209 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.513 11.161 5.417 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.492 9.766 4.356 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.132 10.898 4.608 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.067 10.008 5.701 1.00 0.00 H new ATOM 164 N ARG A 18 9.444 8.152 6.644 1.00 0.00 N ATOM 165 CA ARG A 18 10.397 7.673 7.638 1.00 0.00 C ATOM 166 C ARG A 18 11.826 7.764 7.119 1.00 0.00 C ATOM 167 O ARG A 18 12.770 7.353 7.794 1.00 0.00 O ATOM 168 CB ARG A 18 10.092 6.232 8.022 1.00 0.00 C ATOM 169 CG ARG A 18 8.797 6.037 8.795 1.00 0.00 C ATOM 170 CD ARG A 18 8.591 4.615 9.171 1.00 0.00 C ATOM 171 NE ARG A 18 7.302 4.405 9.810 1.00 0.00 N ATOM 172 CZ ARG A 18 7.060 4.586 11.123 1.00 0.00 C ATOM 173 NH1 ARG A 18 8.028 4.980 11.921 1.00 0.00 N1+ ATOM 174 NH2 ARG A 18 5.851 4.368 11.609 1.00 0.00 N ATOM 0 H ARG A 18 9.135 7.442 5.980 1.00 0.00 H new ATOM 0 HA ARG A 18 10.301 8.310 8.517 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.051 5.630 7.114 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.918 5.848 8.621 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.814 6.653 9.694 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.957 6.379 8.190 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.661 3.990 8.281 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.387 4.299 9.846 1.00 0.00 H new ATOM 0 HE ARG A 18 6.526 4.099 9.223 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.961 5.148 11.546 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.845 5.117 12.915 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.100 4.062 10.990 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.669 4.505 12.603 1.00 0.00 H new ATOM 188 N ARG A 19 11.980 8.306 5.916 1.00 0.00 N ATOM 189 CA ARG A 19 13.298 8.478 5.315 1.00 0.00 C ATOM 190 C ARG A 19 14.016 7.143 5.170 1.00 0.00 C ATOM 191 O ARG A 19 15.226 7.052 5.375 1.00 0.00 O ATOM 192 CB ARG A 19 14.149 9.420 6.154 1.00 0.00 C ATOM 193 CG ARG A 19 13.610 10.837 6.272 1.00 0.00 C ATOM 194 CD ARG A 19 14.502 11.698 7.089 1.00 0.00 C ATOM 195 NE ARG A 19 13.911 13.001 7.348 1.00 0.00 N ATOM 196 CZ ARG A 19 14.483 13.967 8.092 1.00 0.00 C ATOM 197 NH1 ARG A 19 15.659 13.762 8.643 1.00 0.00 N1+ ATOM 198 NH2 ARG A 19 13.863 15.121 8.268 1.00 0.00 N ATOM 0 H ARG A 19 11.207 8.634 5.337 1.00 0.00 H new ATOM 0 HA ARG A 19 13.153 8.907 4.324 1.00 0.00 H new ATOM 0 HB2 ARG A 19 14.250 9.001 7.155 1.00 0.00 H new ATOM 0 HB3 ARG A 19 15.150 9.462 5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 19 13.499 11.268 5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.617 10.812 6.721 1.00 0.00 H new ATOM 0 HD2 ARG A 19 14.717 11.202 8.036 1.00 0.00 H new ATOM 0 HD3 ARG A 19 15.454 11.827 6.573 1.00 0.00 H new ATOM 0 HE ARG A 19 12.998 13.197 6.937 1.00 0.00 H new ATOM 0 HH11 ARG A 19 16.138 12.872 8.507 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.093 14.493 9.207 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.951 15.280 7.840 1.00 0.00 H new ATOM 0 HH22 ARG A 19 14.297 15.852 8.832 1.00 0.00 H new ATOM 212 N TRP A 20 13.262 6.107 4.816 1.00 0.00 N ATOM 213 CA TRP A 20 13.833 4.784 4.596 1.00 0.00 C ATOM 214 C TRP A 20 14.221 4.587 3.136 1.00 0.00 C ATOM 215 O TRP A 20 13.732 5.292 2.253 1.00 0.00 O ATOM 216 CB TRP A 20 12.840 3.698 5.015 1.00 0.00 C ATOM 217 CG TRP A 20 12.694 3.562 6.500 1.00 0.00 C ATOM 218 CD1 TRP A 20 13.437 4.192 7.454 1.00 0.00 C ATOM 219 CD2 TRP A 20 11.739 2.740 7.214 1.00 0.00 C ATOM 220 NE1 TRP A 20 13.014 3.819 8.706 1.00 0.00 N ATOM 221 CE2 TRP A 20 11.975 2.933 8.578 1.00 0.00 C ATOM 222 CE3 TRP A 20 10.718 1.870 6.811 1.00 0.00 C ATOM 223 CZ2 TRP A 20 11.228 2.285 9.550 1.00 0.00 C ATOM 224 CZ3 TRP A 20 9.969 1.222 7.786 1.00 0.00 C ATOM 225 CH2 TRP A 20 10.217 1.426 9.120 1.00 0.00 C ATOM 0 H TRP A 20 12.253 6.159 4.675 1.00 0.00 H new ATOM 0 HA TRP A 20 14.733 4.706 5.207 1.00 0.00 H new ATOM 0 HB2 TRP A 20 11.865 3.921 4.581 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.162 2.743 4.601 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.242 4.884 7.254 1.00 0.00 H new ATOM 0 HE1 TRP A 20 13.408 4.147 9.588 1.00 0.00 H new ATOM 0 HE3 TRP A 20 10.517 1.706 5.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 11.422 2.440 10.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 9.180 0.547 7.489 1.00 0.00 H new ATOM 0 HH2 TRP A 20 9.616 0.910 9.854 1.00 0.00 H new ATOM 236 N PRO A 21 15.102 3.624 2.888 1.00 0.00 N ATOM 237 CA PRO A 21 15.473 3.257 1.527 1.00 0.00 C ATOM 238 C PRO A 21 14.243 2.935 0.688 1.00 0.00 C ATOM 239 O PRO A 21 13.201 2.553 1.220 1.00 0.00 O ATOM 240 CB PRO A 21 16.357 2.022 1.731 1.00 0.00 C ATOM 241 CG PRO A 21 16.916 2.196 3.102 1.00 0.00 C ATOM 242 CD PRO A 21 15.787 2.800 3.893 1.00 0.00 C ATOM 0 HA PRO A 21 15.980 4.057 0.988 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.780 1.101 1.650 1.00 0.00 H new ATOM 0 HB3 PRO A 21 17.147 1.970 0.982 1.00 0.00 H new ATOM 0 HG2 PRO A 21 17.233 1.243 3.526 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.790 2.848 3.095 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.129 2.037 4.309 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.151 3.398 4.729 1.00 0.00 H new ATOM 250 N PRO A 22 14.371 3.092 -0.625 1.00 0.00 N ATOM 251 CA PRO A 22 13.279 2.788 -1.543 1.00 0.00 C ATOM 252 C PRO A 22 12.733 1.386 -1.304 1.00 0.00 C ATOM 253 O PRO A 22 13.494 0.437 -1.112 1.00 0.00 O ATOM 254 CB PRO A 22 13.942 2.910 -2.919 1.00 0.00 C ATOM 255 CG PRO A 22 15.024 3.914 -2.716 1.00 0.00 C ATOM 256 CD PRO A 22 15.560 3.614 -1.341 1.00 0.00 C ATOM 0 HA PRO A 22 12.420 3.448 -1.426 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.344 1.954 -3.254 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.230 3.239 -3.676 1.00 0.00 H new ATOM 0 HG2 PRO A 22 15.801 3.820 -3.475 1.00 0.00 H new ATOM 0 HG3 PRO A 22 14.639 4.932 -2.779 1.00 0.00 H new ATOM 0 HD2 PRO A 22 16.366 2.881 -1.373 1.00 0.00 H new ATOM 0 HD3 PRO A 22 15.961 4.507 -0.861 1.00 0.00 H new ATOM 264 N PRO A 23 11.411 1.261 -1.317 1.00 0.00 N ATOM 265 CA PRO A 23 10.760 -0.021 -1.078 1.00 0.00 C ATOM 266 C PRO A 23 10.851 -0.923 -2.302 1.00 0.00 C ATOM 267 O PRO A 23 10.959 -0.443 -3.431 1.00 0.00 O ATOM 268 CB PRO A 23 9.312 0.378 -0.777 1.00 0.00 C ATOM 269 CG PRO A 23 9.103 1.623 -1.570 1.00 0.00 C ATOM 270 CD PRO A 23 10.414 2.357 -1.465 1.00 0.00 C ATOM 0 HA PRO A 23 11.219 -0.594 -0.272 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.614 -0.405 -1.073 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.161 0.554 0.288 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.856 1.397 -2.607 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.282 2.217 -1.169 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.609 2.961 -2.351 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.429 3.032 -0.610 1.00 0.00 H new ATOM 278 N SER A 24 10.806 -2.230 -2.073 1.00 0.00 N ATOM 279 CA SER A 24 10.776 -3.199 -3.162 1.00 0.00 C ATOM 280 C SER A 24 9.545 -4.092 -3.071 1.00 0.00 C ATOM 281 O SER A 24 8.996 -4.301 -1.990 1.00 0.00 O ATOM 282 CB SER A 24 12.031 -4.049 -3.140 1.00 0.00 C ATOM 283 OG SER A 24 13.173 -3.264 -3.344 1.00 0.00 O ATOM 0 H SER A 24 10.789 -2.644 -1.141 1.00 0.00 H new ATOM 0 HA SER A 24 10.730 -2.648 -4.101 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.107 -4.566 -2.184 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.969 -4.815 -3.913 1.00 0.00 H new ATOM 0 HG SER A 24 13.970 -3.834 -3.324 1.00 0.00 H new ATOM 289 N TYR A 25 9.116 -4.617 -4.214 1.00 0.00 N ATOM 290 CA TYR A 25 7.949 -5.490 -4.265 1.00 0.00 C ATOM 291 C TYR A 25 7.958 -6.348 -5.524 1.00 0.00 C ATOM 292 O TYR A 25 8.761 -6.128 -6.431 1.00 0.00 O ATOM 293 CB TYR A 25 6.661 -4.667 -4.194 1.00 0.00 C ATOM 294 CG TYR A 25 6.454 -3.753 -5.381 1.00 0.00 C ATOM 295 CD1 TYR A 25 5.725 -4.193 -6.476 1.00 0.00 C ATOM 296 CD2 TYR A 25 6.993 -2.475 -5.375 1.00 0.00 C ATOM 297 CE1 TYR A 25 5.536 -3.358 -7.561 1.00 0.00 C ATOM 298 CE2 TYR A 25 6.804 -1.641 -6.460 1.00 0.00 C ATOM 299 CZ TYR A 25 6.079 -2.078 -7.549 1.00 0.00 C ATOM 300 OH TYR A 25 5.891 -1.247 -8.629 1.00 0.00 O ATOM 0 H TYR A 25 9.559 -4.453 -5.118 1.00 0.00 H new ATOM 0 HA TYR A 25 7.990 -6.154 -3.402 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.811 -5.345 -4.117 1.00 0.00 H new ATOM 0 HB3 TYR A 25 6.674 -4.068 -3.284 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.305 -5.188 -6.481 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.560 -2.132 -4.522 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.969 -3.698 -8.415 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.224 -0.646 -6.456 1.00 0.00 H new ATOM 0 HH TYR A 25 6.333 -0.388 -8.462 1.00 0.00 H new ATOM 310 N GLU A 26 7.061 -7.327 -5.573 1.00 0.00 N ATOM 311 CA GLU A 26 6.958 -8.215 -6.725 1.00 0.00 C ATOM 312 C GLU A 26 5.522 -8.675 -6.938 1.00 0.00 C ATOM 313 O GLU A 26 4.849 -9.098 -5.998 1.00 0.00 O ATOM 314 CB GLU A 26 7.872 -9.429 -6.545 1.00 0.00 C ATOM 315 CG GLU A 26 7.873 -10.395 -7.722 1.00 0.00 C ATOM 316 CD GLU A 26 8.856 -11.520 -7.556 1.00 0.00 C ATOM 317 OE1 GLU A 26 9.559 -11.528 -6.574 1.00 0.00 O ATOM 318 OE2 GLU A 26 8.904 -12.371 -8.411 1.00 0.00 O1- ATOM 0 H GLU A 26 6.394 -7.526 -4.827 1.00 0.00 H new ATOM 0 HA GLU A 26 7.274 -7.657 -7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.891 -9.080 -6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.567 -9.968 -5.648 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.872 -10.809 -7.846 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.107 -9.847 -8.635 1.00 0.00 H new ATOM 325 N THR A 27 5.058 -8.591 -8.181 1.00 0.00 N ATOM 326 CA THR A 27 3.669 -8.899 -8.502 1.00 0.00 C ATOM 327 C THR A 27 3.548 -10.262 -9.171 1.00 0.00 C ATOM 328 O THR A 27 4.137 -10.502 -10.224 1.00 0.00 O ATOM 329 CB THR A 27 3.059 -7.819 -9.415 1.00 0.00 C ATOM 330 OG1 THR A 27 3.064 -6.557 -8.735 1.00 0.00 O ATOM 331 CG2 THR A 27 1.631 -8.183 -9.791 1.00 0.00 C ATOM 0 H THR A 27 5.624 -8.312 -8.982 1.00 0.00 H new ATOM 0 HA THR A 27 3.117 -8.919 -7.562 1.00 0.00 H new ATOM 0 HB THR A 27 3.657 -7.752 -10.324 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.677 -5.870 -9.317 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.216 -7.409 -10.436 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.626 -9.137 -10.319 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.027 -8.265 -8.888 1.00 0.00 H new ATOM 339 N GLU A 28 2.780 -11.153 -8.552 1.00 0.00 N ATOM 340 CA GLU A 28 2.440 -12.430 -9.167 1.00 0.00 C ATOM 341 C GLU A 28 0.956 -12.502 -9.503 1.00 0.00 C ATOM 342 O GLU A 28 0.104 -12.342 -8.629 1.00 0.00 O ATOM 343 CB GLU A 28 2.820 -13.587 -8.239 1.00 0.00 C ATOM 344 CG GLU A 28 4.314 -13.723 -7.983 1.00 0.00 C ATOM 345 CD GLU A 28 4.649 -14.872 -7.074 1.00 0.00 C ATOM 346 OE1 GLU A 28 4.184 -14.880 -5.960 1.00 0.00 O ATOM 347 OE2 GLU A 28 5.372 -15.745 -7.495 1.00 0.00 O1- ATOM 0 H GLU A 28 2.381 -11.013 -7.624 1.00 0.00 H new ATOM 0 HA GLU A 28 3.006 -12.514 -10.095 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.311 -13.453 -7.285 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.451 -14.518 -8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.830 -13.856 -8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.688 -12.798 -7.544 1.00 0.00 H new ATOM 354 N THR A 29 0.653 -12.744 -10.774 1.00 0.00 N ATOM 355 CA THR A 29 -0.723 -12.707 -11.254 1.00 0.00 C ATOM 356 C THR A 29 -1.200 -14.094 -11.665 1.00 0.00 C ATOM 357 O THR A 29 -0.394 -14.985 -11.931 1.00 0.00 O ATOM 358 CB THR A 29 -0.870 -11.737 -12.441 1.00 0.00 C ATOM 359 OG1 THR A 29 -0.110 -12.222 -13.555 1.00 0.00 O ATOM 360 CG2 THR A 29 -0.375 -10.350 -12.061 1.00 0.00 C ATOM 0 H THR A 29 1.343 -12.968 -11.491 1.00 0.00 H new ATOM 0 HA THR A 29 -1.343 -12.353 -10.430 1.00 0.00 H new ATOM 0 HB THR A 29 -1.924 -11.675 -12.711 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.206 -11.605 -14.310 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.487 -9.678 -12.912 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.959 -9.973 -11.222 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.676 -10.404 -11.777 1.00 0.00 H new ATOM 368 N GLU A 30 -2.516 -14.270 -11.713 1.00 0.00 N ATOM 369 CA GLU A 30 -3.104 -15.526 -12.163 1.00 0.00 C ATOM 370 C GLU A 30 -2.542 -16.708 -11.384 1.00 0.00 C ATOM 371 O GLU A 30 -2.054 -17.675 -11.969 1.00 0.00 O ATOM 372 CB GLU A 30 -2.856 -15.726 -13.660 1.00 0.00 C ATOM 373 CG GLU A 30 -3.474 -14.655 -14.548 1.00 0.00 C ATOM 374 CD GLU A 30 -3.193 -14.872 -16.009 1.00 0.00 C ATOM 375 OE1 GLU A 30 -2.611 -15.877 -16.339 1.00 0.00 O ATOM 376 OE2 GLU A 30 -3.562 -14.032 -16.795 1.00 0.00 O1- ATOM 0 H GLU A 30 -3.196 -13.558 -11.446 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.178 -15.474 -11.981 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.781 -15.752 -13.838 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.251 -16.698 -13.955 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.552 -14.637 -14.389 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.091 -13.679 -14.251 1.00 0.00 H new ATOM 383 N VAL A 31 -2.614 -16.625 -10.060 1.00 0.00 N ATOM 384 CA VAL A 31 -2.176 -17.717 -9.199 1.00 0.00 C ATOM 385 C VAL A 31 -3.346 -18.315 -8.428 1.00 0.00 C ATOM 386 O VAL A 31 -4.486 -17.871 -8.569 1.00 0.00 O ATOM 387 CB VAL A 31 -1.111 -17.219 -8.204 1.00 0.00 C ATOM 388 CG1 VAL A 31 0.111 -16.701 -8.947 1.00 0.00 C ATOM 389 CG2 VAL A 31 -1.700 -16.136 -7.314 1.00 0.00 C ATOM 0 H VAL A 31 -2.972 -15.812 -9.559 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.748 -18.490 -9.837 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.796 -18.053 -7.576 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.853 -16.353 -8.229 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.537 -17.503 -9.550 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.181 -15.875 -9.596 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.941 -15.789 -6.613 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.035 -15.301 -7.930 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.547 -16.541 -6.760 1.00 0.00 H new ATOM 399 N GLY A 32 -3.058 -19.324 -7.613 1.00 0.00 N ATOM 400 CA GLY A 32 -4.090 -19.996 -6.832 1.00 0.00 C ATOM 401 C GLY A 32 -4.660 -21.190 -7.586 1.00 0.00 C ATOM 402 O GLY A 32 -3.947 -21.870 -8.323 1.00 0.00 O ATOM 0 H GLY A 32 -2.118 -19.695 -7.476 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.672 -20.328 -5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.890 -19.293 -6.600 1.00 0.00 H new ATOM 406 N LEU A 33 -5.951 -21.441 -7.396 1.00 0.00 N ATOM 407 CA LEU A 33 -6.614 -22.572 -8.035 1.00 0.00 C ATOM 408 C LEU A 33 -6.866 -22.299 -9.512 1.00 0.00 C ATOM 409 O LEU A 33 -6.964 -21.146 -9.933 1.00 0.00 O ATOM 410 CB LEU A 33 -7.942 -22.875 -7.330 1.00 0.00 C ATOM 411 CG LEU A 33 -7.834 -23.300 -5.860 1.00 0.00 C ATOM 412 CD1 LEU A 33 -9.230 -23.457 -5.272 1.00 0.00 C ATOM 413 CD2 LEU A 33 -7.051 -24.601 -5.764 1.00 0.00 C ATOM 0 H LEU A 33 -6.560 -20.876 -6.804 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.955 -23.437 -7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.573 -21.988 -7.387 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.452 -23.665 -7.881 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.305 -22.537 -5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.153 -23.759 -4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.761 -22.507 -5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.777 -24.217 -5.830 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.974 -24.903 -4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.565 -25.378 -6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.052 -24.455 -6.174 1.00 0.00 H new ATOM 425 N PRO A 34 -6.971 -23.367 -10.296 1.00 0.00 N ATOM 426 CA PRO A 34 -7.212 -23.244 -11.729 1.00 0.00 C ATOM 427 C PRO A 34 -8.458 -22.415 -12.009 1.00 0.00 C ATOM 428 O PRO A 34 -8.539 -21.721 -13.023 1.00 0.00 O ATOM 429 CB PRO A 34 -7.390 -24.700 -12.174 1.00 0.00 C ATOM 430 CG PRO A 34 -6.577 -25.482 -11.199 1.00 0.00 C ATOM 431 CD PRO A 34 -6.788 -24.778 -9.885 1.00 0.00 C ATOM 0 HA PRO A 34 -6.409 -22.733 -12.260 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.438 -24.999 -12.149 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.040 -24.850 -13.195 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.905 -26.520 -11.151 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.524 -25.493 -11.479 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.660 -25.162 -9.356 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.933 -24.898 -9.220 1.00 0.00 H new ATOM 439 N HIS A 35 -9.429 -22.490 -11.105 1.00 0.00 N ATOM 440 CA HIS A 35 -10.720 -21.846 -11.311 1.00 0.00 C ATOM 441 C HIS A 35 -10.798 -20.519 -10.567 1.00 0.00 C ATOM 442 O HIS A 35 -11.748 -19.755 -10.740 1.00 0.00 O ATOM 443 CB HIS A 35 -11.861 -22.761 -10.856 1.00 0.00 C ATOM 444 CG HIS A 35 -11.935 -24.052 -11.611 1.00 0.00 C ATOM 445 ND1 HIS A 35 -12.277 -24.114 -12.946 1.00 0.00 N ATOM 446 CD2 HIS A 35 -11.712 -25.328 -11.219 1.00 0.00 C ATOM 447 CE1 HIS A 35 -12.260 -25.375 -13.342 1.00 0.00 C ATOM 448 NE2 HIS A 35 -11.921 -26.130 -12.314 1.00 0.00 N ATOM 0 H HIS A 35 -9.345 -22.992 -10.221 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.823 -21.652 -12.379 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -11.740 -22.978 -9.795 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.807 -22.231 -10.967 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -11.424 -25.654 -10.231 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -12.485 -25.728 -14.338 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.829 -27.146 -12.330 1.00 0.00 H new ATOM 455 N GLU A 36 -9.794 -20.250 -9.739 1.00 0.00 N ATOM 456 CA GLU A 36 -9.770 -19.036 -8.933 1.00 0.00 C ATOM 457 C GLU A 36 -8.562 -18.172 -9.274 1.00 0.00 C ATOM 458 O GLU A 36 -7.451 -18.433 -8.814 1.00 0.00 O ATOM 459 CB GLU A 36 -9.756 -19.384 -7.443 1.00 0.00 C ATOM 460 CG GLU A 36 -10.982 -20.148 -6.965 1.00 0.00 C ATOM 461 CD GLU A 36 -12.211 -19.287 -6.879 1.00 0.00 C ATOM 462 OE1 GLU A 36 -12.100 -18.104 -7.092 1.00 0.00 O ATOM 463 OE2 GLU A 36 -13.263 -19.813 -6.600 1.00 0.00 O1- ATOM 0 H GLU A 36 -8.985 -20.858 -9.609 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.673 -18.469 -9.159 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.867 -19.977 -7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.670 -18.462 -6.868 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.174 -20.979 -7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.776 -20.578 -5.985 1.00 0.00 H new ATOM 470 N ARG A 37 -8.787 -17.143 -10.084 1.00 0.00 N ATOM 471 CA ARG A 37 -7.722 -16.223 -10.466 1.00 0.00 C ATOM 472 C ARG A 37 -7.358 -15.293 -9.316 1.00 0.00 C ATOM 473 O ARG A 37 -7.955 -14.229 -9.152 1.00 0.00 O ATOM 474 CB ARG A 37 -8.139 -15.394 -11.672 1.00 0.00 C ATOM 475 CG ARG A 37 -7.076 -14.437 -12.189 1.00 0.00 C ATOM 476 CD ARG A 37 -7.533 -13.712 -13.402 1.00 0.00 C ATOM 477 NE ARG A 37 -6.514 -12.806 -13.908 1.00 0.00 N ATOM 478 CZ ARG A 37 -6.633 -12.071 -15.031 1.00 0.00 C ATOM 479 NH1 ARG A 37 -7.730 -12.145 -15.752 1.00 0.00 N1+ ATOM 480 NH2 ARG A 37 -5.648 -11.275 -15.407 1.00 0.00 N ATOM 0 H ARG A 37 -9.698 -16.925 -10.489 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.848 -16.822 -10.722 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.422 -16.070 -12.479 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.028 -14.820 -11.410 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.823 -13.719 -11.409 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.167 -14.992 -12.418 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.797 -14.431 -14.177 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.437 -13.149 -13.169 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.648 -12.721 -13.375 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.491 -12.759 -15.461 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.820 -11.589 -16.602 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.797 -11.217 -14.847 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.738 -10.719 -16.257 1.00 0.00 H new ATOM 494 N LEU A 38 -6.374 -15.701 -8.521 1.00 0.00 N ATOM 495 CA LEU A 38 -5.933 -14.909 -7.380 1.00 0.00 C ATOM 496 C LEU A 38 -4.662 -14.135 -7.705 1.00 0.00 C ATOM 497 O LEU A 38 -4.003 -14.399 -8.711 1.00 0.00 O ATOM 498 CB LEU A 38 -5.690 -15.816 -6.167 1.00 0.00 C ATOM 499 CG LEU A 38 -6.877 -16.691 -5.743 1.00 0.00 C ATOM 500 CD1 LEU A 38 -6.465 -17.573 -4.572 1.00 0.00 C ATOM 501 CD2 LEU A 38 -8.055 -15.803 -5.371 1.00 0.00 C ATOM 0 H LEU A 38 -5.867 -16.577 -8.647 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.721 -14.194 -7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.843 -16.466 -6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.402 -15.192 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.179 -17.335 -6.569 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.308 -18.195 -4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.633 -18.210 -4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.159 -16.946 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.898 -16.424 -5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.772 -15.150 -4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.340 -15.197 -6.231 1.00 0.00 H new ATOM 513 N PHE A 39 -4.322 -13.178 -6.848 1.00 0.00 N ATOM 514 CA PHE A 39 -3.116 -12.379 -7.030 1.00 0.00 C ATOM 515 C PHE A 39 -2.274 -12.356 -5.761 1.00 0.00 C ATOM 516 O PHE A 39 -2.799 -12.197 -4.659 1.00 0.00 O ATOM 517 CB PHE A 39 -3.478 -10.948 -7.433 1.00 0.00 C ATOM 518 CG PHE A 39 -4.210 -10.855 -8.742 1.00 0.00 C ATOM 519 CD1 PHE A 39 -5.588 -11.005 -8.794 1.00 0.00 C ATOM 520 CD2 PHE A 39 -3.523 -10.617 -9.922 1.00 0.00 C ATOM 521 CE1 PHE A 39 -6.262 -10.919 -9.998 1.00 0.00 C ATOM 522 CE2 PHE A 39 -4.194 -10.529 -11.126 1.00 0.00 C ATOM 523 CZ PHE A 39 -5.566 -10.681 -11.164 1.00 0.00 C ATOM 0 H PHE A 39 -4.866 -12.937 -6.019 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.531 -12.840 -7.826 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.094 -10.504 -6.650 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.565 -10.356 -7.495 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.140 -11.191 -7.885 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.450 -10.499 -9.900 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.335 -11.038 -10.025 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.646 -10.341 -12.037 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.092 -10.614 -12.105 1.00 0.00 H new ATOM 533 N THR A 40 -0.965 -12.516 -5.922 1.00 0.00 N ATOM 534 CA THR A 40 -0.048 -12.525 -4.789 1.00 0.00 C ATOM 535 C THR A 40 0.987 -11.414 -4.908 1.00 0.00 C ATOM 536 O THR A 40 1.748 -11.363 -5.874 1.00 0.00 O ATOM 537 CB THR A 40 0.664 -13.885 -4.663 1.00 0.00 C ATOM 538 OG1 THR A 40 -0.307 -14.919 -4.458 1.00 0.00 O ATOM 539 CG2 THR A 40 1.638 -13.871 -3.494 1.00 0.00 C ATOM 0 H THR A 40 -0.515 -12.641 -6.829 1.00 0.00 H new ATOM 0 HA THR A 40 -0.643 -12.354 -3.892 1.00 0.00 H new ATOM 0 HB THR A 40 1.218 -14.074 -5.583 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.147 -15.784 -4.380 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.132 -14.840 -3.420 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.386 -13.094 -3.653 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.095 -13.669 -2.571 1.00 0.00 H new ATOM 547 N ILE A 41 1.010 -10.525 -3.921 1.00 0.00 N ATOM 548 CA ILE A 41 1.960 -9.419 -3.908 1.00 0.00 C ATOM 549 C ILE A 41 2.984 -9.586 -2.793 1.00 0.00 C ATOM 550 O ILE A 41 2.628 -9.683 -1.618 1.00 0.00 O ATOM 551 CB ILE A 41 1.233 -8.073 -3.740 1.00 0.00 C ATOM 552 CG1 ILE A 41 0.197 -7.884 -4.852 1.00 0.00 C ATOM 553 CG2 ILE A 41 2.231 -6.926 -3.738 1.00 0.00 C ATOM 554 CD1 ILE A 41 0.796 -7.803 -6.238 1.00 0.00 C ATOM 0 H ILE A 41 0.381 -10.549 -3.119 1.00 0.00 H new ATOM 0 HA ILE A 41 2.480 -9.426 -4.866 1.00 0.00 H new ATOM 0 HB ILE A 41 0.713 -8.077 -2.782 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.511 -8.712 -4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.369 -6.973 -4.657 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.700 -5.982 -3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.932 -7.055 -2.913 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.778 -6.918 -4.681 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.000 -7.669 -6.971 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.482 -6.958 -6.289 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.338 -8.724 -6.455 1.00 0.00 H new ATOM 566 N ALA A 42 4.259 -9.619 -3.167 1.00 0.00 N ATOM 567 CA ALA A 42 5.342 -9.673 -2.193 1.00 0.00 C ATOM 568 C ALA A 42 5.974 -8.302 -1.994 1.00 0.00 C ATOM 569 O ALA A 42 6.139 -7.540 -2.947 1.00 0.00 O ATOM 570 CB ALA A 42 6.395 -10.683 -2.627 1.00 0.00 C ATOM 0 H ALA A 42 4.567 -9.609 -4.139 1.00 0.00 H new ATOM 0 HA ALA A 42 4.920 -9.991 -1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.197 -10.712 -1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.941 -11.670 -2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.802 -10.391 -3.595 1.00 0.00 H new ATOM 576 N CYS A 43 6.325 -7.992 -0.751 1.00 0.00 N ATOM 577 CA CYS A 43 6.948 -6.714 -0.426 1.00 0.00 C ATOM 578 C CYS A 43 8.205 -6.911 0.411 1.00 0.00 C ATOM 579 O CYS A 43 8.314 -7.875 1.168 1.00 0.00 O ATOM 580 CB CYS A 43 5.971 -5.817 0.335 1.00 0.00 C ATOM 581 SG CYS A 43 4.485 -5.383 -0.601 1.00 0.00 S ATOM 0 H CYS A 43 6.188 -8.609 0.049 1.00 0.00 H new ATOM 0 HA CYS A 43 7.223 -6.236 -1.366 1.00 0.00 H new ATOM 0 HB2 CYS A 43 5.674 -6.320 1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 43 6.486 -4.901 0.625 1.00 0.00 H new ATOM 0 HG CYS A 43 3.628 -4.807 0.188 1.00 0.00 H new ATOM 587 N SER A 44 9.154 -5.992 0.269 1.00 0.00 N ATOM 588 CA SER A 44 10.392 -6.044 1.037 1.00 0.00 C ATOM 589 C SER A 44 10.774 -4.666 1.561 1.00 0.00 C ATOM 590 O SER A 44 10.968 -3.728 0.787 1.00 0.00 O ATOM 591 CB SER A 44 11.515 -6.598 0.181 1.00 0.00 C ATOM 592 OG SER A 44 12.727 -6.604 0.884 1.00 0.00 O ATOM 0 H SER A 44 9.089 -5.201 -0.372 1.00 0.00 H new ATOM 0 HA SER A 44 10.230 -6.702 1.891 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.269 -7.612 -0.136 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.618 -5.998 -0.723 1.00 0.00 H new ATOM 0 HG SER A 44 12.553 -6.768 1.834 1.00 0.00 H new ATOM 598 N ILE A 45 10.881 -4.548 2.880 1.00 0.00 N ATOM 599 CA ILE A 45 11.206 -3.275 3.512 1.00 0.00 C ATOM 600 C ILE A 45 12.352 -3.429 4.503 1.00 0.00 C ATOM 601 O ILE A 45 12.296 -4.262 5.408 1.00 0.00 O ATOM 602 CB ILE A 45 9.977 -2.691 4.234 1.00 0.00 C ATOM 603 CG1 ILE A 45 8.826 -2.486 3.246 1.00 0.00 C ATOM 604 CG2 ILE A 45 10.336 -1.381 4.918 1.00 0.00 C ATOM 605 CD1 ILE A 45 9.077 -1.392 2.234 1.00 0.00 C ATOM 0 H ILE A 45 10.747 -5.320 3.533 1.00 0.00 H new ATOM 0 HA ILE A 45 11.515 -2.590 2.722 1.00 0.00 H new ATOM 0 HB ILE A 45 9.653 -3.399 4.997 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.642 -3.421 2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.919 -2.251 3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.457 -0.982 5.423 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.126 -1.556 5.648 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.683 -0.665 4.173 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.217 -1.307 1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.230 -0.445 2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.965 -1.634 1.650 1.00 0.00 H new ATOM 617 N LEU A 46 13.392 -2.620 4.328 1.00 0.00 N ATOM 618 CA LEU A 46 14.583 -2.710 5.164 1.00 0.00 C ATOM 619 C LEU A 46 15.173 -4.114 5.132 1.00 0.00 C ATOM 620 O LEU A 46 15.589 -4.599 4.079 1.00 0.00 O ATOM 621 CB LEU A 46 14.246 -2.324 6.610 1.00 0.00 C ATOM 622 CG LEU A 46 13.732 -0.893 6.813 1.00 0.00 C ATOM 623 CD1 LEU A 46 13.297 -0.710 8.261 1.00 0.00 C ATOM 624 CD2 LEU A 46 14.826 0.097 6.442 1.00 0.00 C ATOM 0 H LEU A 46 13.434 -1.894 3.613 1.00 0.00 H new ATOM 0 HA LEU A 46 15.324 -2.016 4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 46 13.494 -3.018 6.986 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.139 -2.460 7.221 1.00 0.00 H new ATOM 0 HG LEU A 46 12.871 -0.712 6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.932 0.307 8.405 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.502 -1.418 8.494 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.146 -0.888 8.921 1.00 0.00 H new ATOM 0 HD21 LEU A 46 14.461 1.114 6.586 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.697 -0.069 7.076 1.00 0.00 H new ATOM 0 HD23 LEU A 46 15.105 -0.044 5.398 1.00 0.00 H new ATOM 636 N ASN A 47 15.208 -4.763 6.291 1.00 0.00 N ATOM 637 CA ASN A 47 15.722 -6.123 6.392 1.00 0.00 C ATOM 638 C ASN A 47 14.593 -7.127 6.586 1.00 0.00 C ATOM 639 O ASN A 47 14.796 -8.204 7.146 1.00 0.00 O ATOM 640 CB ASN A 47 16.731 -6.230 7.521 1.00 0.00 C ATOM 641 CG ASN A 47 17.965 -5.407 7.274 1.00 0.00 C ATOM 642 OD1 ASN A 47 18.737 -5.686 6.349 1.00 0.00 O ATOM 643 ND2 ASN A 47 18.166 -4.398 8.082 1.00 0.00 N ATOM 0 H ASN A 47 14.886 -4.368 7.174 1.00 0.00 H new ATOM 0 HA ASN A 47 16.224 -6.361 5.454 1.00 0.00 H new ATOM 0 HB2 ASN A 47 16.264 -5.908 8.452 1.00 0.00 H new ATOM 0 HB3 ASN A 47 17.015 -7.274 7.651 1.00 0.00 H new ATOM 0 HD21 ASN A 47 18.987 -3.804 7.962 1.00 0.00 H new ATOM 0 HD22 ASN A 47 17.502 -4.205 8.832 1.00 0.00 H new ATOM 650 N TYR A 48 13.402 -6.767 6.119 1.00 0.00 N ATOM 651 CA TYR A 48 12.224 -7.607 6.296 1.00 0.00 C ATOM 652 C TYR A 48 11.550 -7.900 4.962 1.00 0.00 C ATOM 653 O TYR A 48 11.678 -7.131 4.009 1.00 0.00 O ATOM 654 CB TYR A 48 11.234 -6.945 7.256 1.00 0.00 C ATOM 655 CG TYR A 48 11.782 -6.735 8.650 1.00 0.00 C ATOM 656 CD1 TYR A 48 12.500 -5.586 8.948 1.00 0.00 C ATOM 657 CD2 TYR A 48 11.567 -7.693 9.631 1.00 0.00 C ATOM 658 CE1 TYR A 48 13.001 -5.396 10.221 1.00 0.00 C ATOM 659 CE2 TYR A 48 12.068 -7.502 10.904 1.00 0.00 C ATOM 660 CZ TYR A 48 12.782 -6.359 11.200 1.00 0.00 C ATOM 661 OH TYR A 48 13.281 -6.168 12.468 1.00 0.00 O ATOM 0 H TYR A 48 13.227 -5.898 5.614 1.00 0.00 H new ATOM 0 HA TYR A 48 12.551 -8.554 6.725 1.00 0.00 H new ATOM 0 HB2 TYR A 48 10.933 -5.981 6.845 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.336 -7.560 7.318 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.667 -4.840 8.185 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.008 -8.588 9.399 1.00 0.00 H new ATOM 0 HE1 TYR A 48 13.561 -4.503 10.455 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.901 -8.247 11.668 1.00 0.00 H new ATOM 0 HH TYR A 48 13.040 -6.932 13.033 1.00 0.00 H new ATOM 671 N ARG A 49 10.832 -9.016 4.899 1.00 0.00 N ATOM 672 CA ARG A 49 10.106 -9.393 3.693 1.00 0.00 C ATOM 673 C ARG A 49 8.827 -10.149 4.033 1.00 0.00 C ATOM 674 O ARG A 49 8.823 -11.022 4.901 1.00 0.00 O ATOM 675 CB ARG A 49 10.976 -10.256 2.791 1.00 0.00 C ATOM 676 CG ARG A 49 10.374 -10.569 1.430 1.00 0.00 C ATOM 677 CD ARG A 49 11.314 -11.343 0.579 1.00 0.00 C ATOM 678 NE ARG A 49 10.701 -11.746 -0.676 1.00 0.00 N ATOM 679 CZ ARG A 49 11.377 -12.231 -1.736 1.00 0.00 C ATOM 680 NH1 ARG A 49 12.683 -12.366 -1.677 1.00 0.00 N1+ ATOM 681 NH2 ARG A 49 10.727 -12.571 -2.836 1.00 0.00 N ATOM 0 H ARG A 49 10.737 -9.676 5.671 1.00 0.00 H new ATOM 0 HA ARG A 49 9.842 -8.474 3.170 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.931 -9.753 2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.186 -11.195 3.304 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.452 -11.135 1.561 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.109 -9.639 0.927 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.199 -10.740 0.374 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.649 -12.228 1.120 1.00 0.00 H new ATOM 0 HE ARG A 49 9.689 -11.655 -0.760 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.185 -12.104 -0.829 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.195 -12.733 -2.479 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.713 -12.466 -2.882 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.239 -12.938 -3.638 1.00 0.00 H new ATOM 695 N GLU A 50 7.743 -9.808 3.345 1.00 0.00 N ATOM 696 CA GLU A 50 6.455 -10.449 3.578 1.00 0.00 C ATOM 697 C GLU A 50 5.512 -10.235 2.401 1.00 0.00 C ATOM 698 O GLU A 50 5.648 -9.267 1.652 1.00 0.00 O ATOM 699 CB GLU A 50 5.816 -9.911 4.860 1.00 0.00 C ATOM 700 CG GLU A 50 4.548 -10.639 5.285 1.00 0.00 C ATOM 701 CD GLU A 50 4.760 -12.113 5.486 1.00 0.00 C ATOM 702 OE1 GLU A 50 4.924 -12.809 4.513 1.00 0.00 O ATOM 703 OE2 GLU A 50 4.758 -12.544 6.615 1.00 0.00 O1- ATOM 0 H GLU A 50 7.731 -9.090 2.620 1.00 0.00 H new ATOM 0 HA GLU A 50 6.631 -11.519 3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.544 -9.974 5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.585 -8.855 4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.177 -10.201 6.211 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.777 -10.488 4.529 1.00 0.00 H new ATOM 710 N MET A 51 4.556 -11.144 2.242 1.00 0.00 N ATOM 711 CA MET A 51 3.661 -11.122 1.091 1.00 0.00 C ATOM 712 C MET A 51 2.216 -11.356 1.512 1.00 0.00 C ATOM 713 O MET A 51 1.952 -11.879 2.594 1.00 0.00 O ATOM 714 CB MET A 51 4.095 -12.168 0.066 1.00 0.00 C ATOM 715 CG MET A 51 3.982 -13.607 0.550 1.00 0.00 C ATOM 716 SD MET A 51 4.605 -14.796 -0.655 1.00 0.00 S ATOM 717 CE MET A 51 6.369 -14.513 -0.529 1.00 0.00 C ATOM 0 H MET A 51 4.381 -11.906 2.897 1.00 0.00 H new ATOM 0 HA MET A 51 3.720 -10.134 0.634 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.490 -12.051 -0.833 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.129 -11.973 -0.218 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.535 -13.717 1.483 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.938 -13.831 0.770 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.904 -15.328 -1.017 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.622 -13.571 -1.015 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.656 -14.468 0.522 1.00 0.00 H new ATOM 727 N GLY A 52 1.283 -10.966 0.650 1.00 0.00 N ATOM 728 CA GLY A 52 -0.135 -11.189 0.902 1.00 0.00 C ATOM 729 C GLY A 52 -0.880 -11.510 -0.387 1.00 0.00 C ATOM 730 O GLY A 52 -0.532 -11.012 -1.457 1.00 0.00 O ATOM 0 H GLY A 52 1.484 -10.493 -0.231 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.257 -12.009 1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.569 -10.302 1.365 1.00 0.00 H new ATOM 734 N LYS A 53 -1.908 -12.345 -0.278 1.00 0.00 N ATOM 735 CA LYS A 53 -2.662 -12.788 -1.445 1.00 0.00 C ATOM 736 C LYS A 53 -4.128 -12.388 -1.337 1.00 0.00 C ATOM 737 O LYS A 53 -4.726 -12.466 -0.264 1.00 0.00 O ATOM 738 CB LYS A 53 -2.541 -14.303 -1.617 1.00 0.00 C ATOM 739 CG LYS A 53 -3.426 -14.884 -2.713 1.00 0.00 C ATOM 740 CD LYS A 53 -3.041 -16.321 -3.029 1.00 0.00 C ATOM 741 CE LYS A 53 -3.462 -17.266 -1.913 1.00 0.00 C ATOM 742 NZ LYS A 53 -3.171 -18.687 -2.248 1.00 0.00 N1+ ATOM 0 H LYS A 53 -2.238 -12.729 0.607 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.239 -12.298 -2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.502 -14.550 -1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.790 -14.785 -0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.469 -14.845 -2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.340 -14.276 -3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.510 -16.628 -3.964 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.963 -16.387 -3.176 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.942 -16.996 -0.994 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.529 -17.149 -1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.473 -19.298 -1.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.687 -18.953 -3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.150 -18.804 -2.405 1.00 0.00 H new ATOM 756 N GLY A 54 -4.703 -11.960 -2.456 1.00 0.00 N ATOM 757 CA GLY A 54 -6.097 -11.533 -2.486 1.00 0.00 C ATOM 758 C GLY A 54 -6.783 -11.982 -3.770 1.00 0.00 C ATOM 759 O GLY A 54 -6.163 -12.606 -4.631 1.00 0.00 O ATOM 0 H GLY A 54 -4.225 -11.900 -3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.625 -11.944 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.149 -10.447 -2.403 1.00 0.00 H new ATOM 763 N LYS A 55 -8.066 -11.660 -3.893 1.00 0.00 N ATOM 764 CA LYS A 55 -8.839 -12.027 -5.073 1.00 0.00 C ATOM 765 C LYS A 55 -8.567 -11.072 -6.229 1.00 0.00 C ATOM 766 O LYS A 55 -8.712 -11.437 -7.395 1.00 0.00 O ATOM 767 CB LYS A 55 -10.333 -12.049 -4.750 1.00 0.00 C ATOM 768 CG LYS A 55 -10.757 -13.168 -3.808 1.00 0.00 C ATOM 769 CD LYS A 55 -12.259 -13.150 -3.568 1.00 0.00 C ATOM 770 CE LYS A 55 -12.691 -14.295 -2.664 1.00 0.00 C ATOM 771 NZ LYS A 55 -14.165 -14.319 -2.461 1.00 0.00 N1+ ATOM 0 H LYS A 55 -8.593 -11.145 -3.188 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.528 -13.027 -5.376 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.610 -11.093 -4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.892 -12.143 -5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.465 -14.130 -4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.234 -13.064 -2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.545 -12.200 -3.116 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.782 -13.220 -4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.369 -15.241 -3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.193 -14.202 -1.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.417 -15.114 -1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.470 -13.427 -2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.640 -14.433 -3.379 1.00 0.00 H new ATOM 785 N SER A 56 -8.171 -9.848 -5.897 1.00 0.00 N ATOM 786 CA SER A 56 -7.774 -8.872 -6.905 1.00 0.00 C ATOM 787 C SER A 56 -6.366 -8.352 -6.644 1.00 0.00 C ATOM 788 O SER A 56 -5.869 -8.416 -5.520 1.00 0.00 O ATOM 789 CB SER A 56 -8.754 -7.716 -6.926 1.00 0.00 C ATOM 790 OG SER A 56 -10.045 -8.157 -7.244 1.00 0.00 O ATOM 0 H SER A 56 -8.116 -9.508 -4.937 1.00 0.00 H new ATOM 0 HA SER A 56 -7.780 -9.369 -7.875 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.763 -7.225 -5.953 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.430 -6.973 -7.655 1.00 0.00 H new ATOM 0 HG SER A 56 -10.659 -7.394 -7.250 1.00 0.00 H new ATOM 796 N LYS A 57 -5.728 -7.836 -7.689 1.00 0.00 N ATOM 797 CA LYS A 57 -4.373 -7.309 -7.576 1.00 0.00 C ATOM 798 C LYS A 57 -4.297 -6.208 -6.527 1.00 0.00 C ATOM 799 O LYS A 57 -3.398 -6.200 -5.686 1.00 0.00 O ATOM 800 CB LYS A 57 -3.889 -6.783 -8.928 1.00 0.00 C ATOM 801 CG LYS A 57 -2.423 -6.368 -8.953 1.00 0.00 C ATOM 802 CD LYS A 57 -2.032 -5.803 -10.310 1.00 0.00 C ATOM 803 CE LYS A 57 -1.994 -6.890 -11.374 1.00 0.00 C ATOM 804 NZ LYS A 57 -1.555 -6.362 -12.694 1.00 0.00 N1+ ATOM 0 H LYS A 57 -6.128 -7.771 -8.625 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.722 -8.125 -7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.049 -7.553 -9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.501 -5.927 -9.212 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.241 -5.622 -8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.795 -7.228 -8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.743 -5.030 -10.603 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.054 -5.327 -10.239 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.317 -7.684 -11.058 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.984 -7.336 -11.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.543 -7.134 -13.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.215 -5.622 -13.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.600 -5.960 -12.607 1.00 0.00 H new ATOM 818 N LYS A 58 -5.245 -5.279 -6.581 1.00 0.00 N ATOM 819 CA LYS A 58 -5.289 -4.172 -5.633 1.00 0.00 C ATOM 820 C LYS A 58 -5.480 -4.676 -4.208 1.00 0.00 C ATOM 821 O LYS A 58 -4.833 -4.195 -3.278 1.00 0.00 O ATOM 822 CB LYS A 58 -6.408 -3.196 -6.000 1.00 0.00 C ATOM 823 CG LYS A 58 -6.151 -2.394 -7.269 1.00 0.00 C ATOM 824 CD LYS A 58 -7.304 -1.447 -7.567 1.00 0.00 C ATOM 825 CE LYS A 58 -7.058 -0.659 -8.845 1.00 0.00 C ATOM 826 NZ LYS A 58 -8.193 0.248 -9.167 1.00 0.00 N1+ ATOM 0 H LYS A 58 -5.995 -5.271 -7.273 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.334 -3.650 -5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.336 -3.755 -6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.557 -2.504 -5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.228 -1.824 -7.161 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.009 -3.074 -8.109 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.229 -2.016 -7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.436 -0.758 -6.733 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.145 -0.074 -8.740 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.900 -1.350 -9.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.985 0.766 -10.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.060 -0.312 -9.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.328 0.925 -8.389 1.00 0.00 H new ATOM 840 N ILE A 59 -6.373 -5.646 -4.043 1.00 0.00 N ATOM 841 CA ILE A 59 -6.605 -6.261 -2.742 1.00 0.00 C ATOM 842 C ILE A 59 -5.336 -6.912 -2.206 1.00 0.00 C ATOM 843 O ILE A 59 -4.998 -6.762 -1.032 1.00 0.00 O ATOM 844 CB ILE A 59 -7.728 -7.311 -2.823 1.00 0.00 C ATOM 845 CG1 ILE A 59 -9.073 -6.635 -3.099 1.00 0.00 C ATOM 846 CG2 ILE A 59 -7.790 -8.122 -1.538 1.00 0.00 C ATOM 847 CD1 ILE A 59 -10.186 -7.602 -3.430 1.00 0.00 C ATOM 0 H ILE A 59 -6.949 -6.023 -4.796 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.908 -5.468 -2.058 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.509 -7.990 -3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.361 -6.050 -2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.954 -5.935 -3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.589 -8.860 -1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.839 -8.631 -1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.987 -7.457 -0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -11.107 -7.048 -3.613 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -9.921 -8.170 -4.322 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -10.334 -8.286 -2.595 1.00 0.00 H new ATOM 859 N ALA A 60 -4.638 -7.636 -3.074 1.00 0.00 N ATOM 860 CA ALA A 60 -3.406 -8.315 -2.689 1.00 0.00 C ATOM 861 C ALA A 60 -2.332 -7.316 -2.278 1.00 0.00 C ATOM 862 O ALA A 60 -1.585 -7.549 -1.327 1.00 0.00 O ATOM 863 CB ALA A 60 -2.906 -9.191 -3.829 1.00 0.00 C ATOM 0 H ALA A 60 -4.905 -7.768 -4.050 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.625 -8.947 -1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.986 -9.691 -3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.662 -9.938 -4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.712 -8.572 -4.705 1.00 0.00 H new ATOM 869 N LYS A 61 -2.259 -6.203 -3.000 1.00 0.00 N ATOM 870 CA LYS A 61 -1.315 -5.140 -2.675 1.00 0.00 C ATOM 871 C LYS A 61 -1.589 -4.564 -1.292 1.00 0.00 C ATOM 872 O LYS A 61 -0.666 -4.340 -0.509 1.00 0.00 O ATOM 873 CB LYS A 61 -1.374 -4.032 -3.728 1.00 0.00 C ATOM 874 CG LYS A 61 -0.730 -4.395 -5.059 1.00 0.00 C ATOM 875 CD LYS A 61 -0.803 -3.236 -6.042 1.00 0.00 C ATOM 876 CE LYS A 61 -0.098 -3.571 -7.348 1.00 0.00 C ATOM 877 NZ LYS A 61 -0.207 -2.467 -8.339 1.00 0.00 N1+ ATOM 0 H LYS A 61 -2.843 -6.014 -3.815 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.314 -5.572 -2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.417 -3.769 -3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.883 -3.143 -3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.312 -4.673 -4.898 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.231 -5.266 -5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.846 -2.992 -6.242 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.348 -2.351 -5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.954 -3.778 -7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.528 -4.480 -7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.286 -2.736 -9.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.210 -2.286 -8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.226 -1.606 -7.948 1.00 0.00 H new ATOM 891 N ARG A 62 -2.862 -4.326 -0.997 1.00 0.00 N ATOM 892 CA ARG A 62 -3.262 -3.800 0.302 1.00 0.00 C ATOM 893 C ARG A 62 -2.936 -4.784 1.419 1.00 0.00 C ATOM 894 O ARG A 62 -2.418 -4.398 2.467 1.00 0.00 O ATOM 895 CB ARG A 62 -4.753 -3.493 0.320 1.00 0.00 C ATOM 896 CG ARG A 62 -5.169 -2.295 -0.518 1.00 0.00 C ATOM 897 CD ARG A 62 -6.645 -2.126 -0.539 1.00 0.00 C ATOM 898 NE ARG A 62 -7.049 -0.994 -1.357 1.00 0.00 N ATOM 899 CZ ARG A 62 -8.327 -0.646 -1.604 1.00 0.00 C ATOM 900 NH1 ARG A 62 -9.311 -1.351 -1.091 1.00 0.00 N1+ ATOM 901 NH2 ARG A 62 -8.592 0.403 -2.363 1.00 0.00 N ATOM 0 H ARG A 62 -3.636 -4.489 -1.641 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.701 -2.880 0.469 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.294 -4.371 -0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.062 -3.322 1.351 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.705 -1.393 -0.119 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.802 -2.418 -1.537 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.109 -3.035 -0.922 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.009 -1.987 0.479 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.313 -0.423 -1.773 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.107 -2.161 -0.506 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.279 -1.088 -1.278 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.829 0.950 -2.762 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.560 0.666 -2.550 1.00 0.00 H new ATOM 915 N LEU A 63 -3.243 -6.056 1.188 1.00 0.00 N ATOM 916 CA LEU A 63 -2.951 -7.103 2.160 1.00 0.00 C ATOM 917 C LEU A 63 -1.450 -7.279 2.347 1.00 0.00 C ATOM 918 O LEU A 63 -0.979 -7.543 3.453 1.00 0.00 O ATOM 919 CB LEU A 63 -3.576 -8.430 1.713 1.00 0.00 C ATOM 920 CG LEU A 63 -5.109 -8.490 1.752 1.00 0.00 C ATOM 921 CD1 LEU A 63 -5.584 -9.778 1.093 1.00 0.00 C ATOM 922 CD2 LEU A 63 -5.584 -8.406 3.195 1.00 0.00 C ATOM 0 H LEU A 63 -3.694 -6.387 0.335 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.383 -6.802 3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.248 -8.640 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.183 -9.227 2.345 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.529 -7.648 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.673 -9.821 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.246 -9.803 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.174 -10.634 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.673 -8.449 3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.174 -9.241 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.246 -7.468 3.635 1.00 0.00 H new ATOM 934 N ALA A 64 -0.702 -7.131 1.258 1.00 0.00 N ATOM 935 CA ALA A 64 0.751 -7.237 1.307 1.00 0.00 C ATOM 936 C ALA A 64 1.359 -6.105 2.125 1.00 0.00 C ATOM 937 O ALA A 64 2.277 -6.321 2.916 1.00 0.00 O ATOM 938 CB ALA A 64 1.330 -7.242 -0.100 1.00 0.00 C ATOM 0 H ALA A 64 -1.079 -6.937 0.330 1.00 0.00 H new ATOM 0 HA ALA A 64 1.003 -8.179 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.416 -7.322 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.931 -8.091 -0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.059 -6.317 -0.608 1.00 0.00 H new ATOM 944 N ALA A 65 0.841 -4.897 1.929 1.00 0.00 N ATOM 945 CA ALA A 65 1.297 -3.736 2.686 1.00 0.00 C ATOM 946 C ALA A 65 1.023 -3.907 4.174 1.00 0.00 C ATOM 947 O ALA A 65 1.877 -3.611 5.010 1.00 0.00 O ATOM 948 CB ALA A 65 0.630 -2.471 2.167 1.00 0.00 C ATOM 0 H ALA A 65 0.105 -4.696 1.252 1.00 0.00 H new ATOM 0 HA ALA A 65 2.375 -3.647 2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.980 -1.613 2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.883 -2.331 1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.451 -2.561 2.271 1.00 0.00 H new ATOM 954 N HIS A 66 -0.173 -4.385 4.500 1.00 0.00 N ATOM 955 CA HIS A 66 -0.544 -4.644 5.886 1.00 0.00 C ATOM 956 C HIS A 66 0.369 -5.689 6.514 1.00 0.00 C ATOM 957 O HIS A 66 0.930 -5.472 7.588 1.00 0.00 O ATOM 958 CB HIS A 66 -2.001 -5.108 5.979 1.00 0.00 C ATOM 959 CG HIS A 66 -2.434 -5.456 7.369 1.00 0.00 C ATOM 960 ND1 HIS A 66 -2.656 -4.502 8.340 1.00 0.00 N ATOM 961 CD2 HIS A 66 -2.685 -6.652 7.952 1.00 0.00 C ATOM 962 CE1 HIS A 66 -3.026 -5.097 9.461 1.00 0.00 C ATOM 963 NE2 HIS A 66 -3.051 -6.401 9.251 1.00 0.00 N ATOM 0 H HIS A 66 -0.903 -4.601 3.822 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.432 -3.710 6.436 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.649 -4.321 5.592 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.138 -5.978 5.337 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.611 -7.622 7.483 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.267 -4.602 10.390 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -3.302 -7.107 9.943 1.00 0.00 H new ATOM 970 N ARG A 67 0.513 -6.824 5.838 1.00 0.00 N ATOM 971 CA ARG A 67 1.360 -7.905 6.329 1.00 0.00 C ATOM 972 C ARG A 67 2.804 -7.448 6.482 1.00 0.00 C ATOM 973 O ARG A 67 3.466 -7.768 7.470 1.00 0.00 O ATOM 974 CB ARG A 67 1.306 -9.098 5.385 1.00 0.00 C ATOM 975 CG ARG A 67 0.047 -9.943 5.493 1.00 0.00 C ATOM 976 CD ARG A 67 -0.039 -10.634 6.805 1.00 0.00 C ATOM 977 NE ARG A 67 1.162 -11.400 7.095 1.00 0.00 N ATOM 978 CZ ARG A 67 1.396 -12.049 8.252 1.00 0.00 C ATOM 979 NH1 ARG A 67 0.502 -12.016 9.216 1.00 0.00 N1+ ATOM 980 NH2 ARG A 67 2.523 -12.719 8.418 1.00 0.00 N ATOM 0 H ARG A 67 0.054 -7.019 4.948 1.00 0.00 H new ATOM 0 HA ARG A 67 0.980 -8.199 7.307 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.397 -8.737 4.361 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.170 -9.734 5.577 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.829 -9.309 5.357 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.034 -10.681 4.691 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.199 -9.898 7.593 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.903 -11.298 6.809 1.00 0.00 H new ATOM 0 HE ARG A 67 1.879 -11.450 6.371 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.368 -11.499 9.087 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.679 -12.507 10.092 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.216 -12.745 7.670 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.700 -13.210 9.294 1.00 0.00 H new ATOM 994 N MET A 68 3.289 -6.697 5.499 1.00 0.00 N ATOM 995 CA MET A 68 4.632 -6.132 5.557 1.00 0.00 C ATOM 996 C MET A 68 4.810 -5.261 6.794 1.00 0.00 C ATOM 997 O MET A 68 5.796 -5.390 7.520 1.00 0.00 O ATOM 998 CB MET A 68 4.922 -5.327 4.292 1.00 0.00 C ATOM 999 CG MET A 68 6.344 -4.795 4.196 1.00 0.00 C ATOM 1000 SD MET A 68 7.553 -6.095 3.874 1.00 0.00 S ATOM 1001 CE MET A 68 8.256 -6.315 5.506 1.00 0.00 C ATOM 0 H MET A 68 2.771 -6.465 4.651 1.00 0.00 H new ATOM 0 HA MET A 68 5.343 -6.956 5.622 1.00 0.00 H new ATOM 0 HB2 MET A 68 4.723 -5.955 3.423 1.00 0.00 H new ATOM 0 HB3 MET A 68 4.229 -4.487 4.244 1.00 0.00 H new ATOM 0 HG2 MET A 68 6.396 -4.051 3.401 1.00 0.00 H new ATOM 0 HG3 MET A 68 6.601 -4.287 5.126 1.00 0.00 H new ATOM 0 HE1 MET A 68 8.817 -7.249 5.538 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.923 -5.483 5.730 1.00 0.00 H new ATOM 0 HE3 MET A 68 7.456 -6.348 6.245 1.00 0.00 H new ATOM 1011 N TRP A 69 3.850 -4.373 7.029 1.00 0.00 N ATOM 1012 CA TRP A 69 3.867 -3.522 8.213 1.00 0.00 C ATOM 1013 C TRP A 69 3.960 -4.353 9.487 1.00 0.00 C ATOM 1014 O TRP A 69 4.750 -4.049 10.381 1.00 0.00 O ATOM 1015 CB TRP A 69 2.612 -2.649 8.260 1.00 0.00 C ATOM 1016 CG TRP A 69 2.548 -1.757 9.463 1.00 0.00 C ATOM 1017 CD1 TRP A 69 3.136 -0.535 9.603 1.00 0.00 C ATOM 1018 CD2 TRP A 69 1.853 -2.013 10.707 1.00 0.00 C ATOM 1019 NE1 TRP A 69 2.857 -0.016 10.843 1.00 0.00 N ATOM 1020 CE2 TRP A 69 2.072 -0.906 11.532 1.00 0.00 C ATOM 1021 CE3 TRP A 69 1.073 -3.076 11.179 1.00 0.00 C ATOM 1022 CZ2 TRP A 69 1.542 -0.827 12.810 1.00 0.00 C ATOM 1023 CZ3 TRP A 69 0.540 -2.996 12.461 1.00 0.00 C ATOM 1024 CH2 TRP A 69 0.769 -1.900 13.254 1.00 0.00 C ATOM 0 H TRP A 69 3.050 -4.224 6.415 1.00 0.00 H new ATOM 0 HA TRP A 69 4.749 -2.884 8.150 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.572 -2.035 7.360 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.732 -3.291 8.247 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.734 -0.046 8.848 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.181 0.885 11.195 1.00 0.00 H new ATOM 0 HE3 TRP A 69 0.889 -3.941 10.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.721 0.033 13.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.063 -3.809 12.838 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.341 -1.867 14.245 1.00 0.00 H new ATOM 1035 N MET A 70 3.149 -5.402 9.564 1.00 0.00 N ATOM 1036 CA MET A 70 3.168 -6.303 10.710 1.00 0.00 C ATOM 1037 C MET A 70 4.545 -6.928 10.897 1.00 0.00 C ATOM 1038 O MET A 70 5.069 -6.976 12.009 1.00 0.00 O ATOM 1039 CB MET A 70 2.108 -7.390 10.544 1.00 0.00 C ATOM 1040 CG MET A 70 0.673 -6.891 10.651 1.00 0.00 C ATOM 1041 SD MET A 70 -0.539 -8.183 10.308 1.00 0.00 S ATOM 1042 CE MET A 70 -0.311 -9.247 11.730 1.00 0.00 C ATOM 0 H MET A 70 2.469 -5.650 8.845 1.00 0.00 H new ATOM 0 HA MET A 70 2.941 -5.720 11.603 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.243 -7.866 9.573 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.270 -8.157 11.301 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.504 -6.496 11.653 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.526 -6.066 9.954 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.134 -9.959 11.788 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.630 -9.788 11.632 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.290 -8.643 12.637 1.00 0.00 H new ATOM 1052 N ARG A 71 5.126 -7.405 9.801 1.00 0.00 N ATOM 1053 CA ARG A 71 6.444 -8.027 9.842 1.00 0.00 C ATOM 1054 C ARG A 71 7.504 -7.041 10.315 1.00 0.00 C ATOM 1055 O ARG A 71 8.436 -7.411 11.029 1.00 0.00 O ATOM 1056 CB ARG A 71 6.827 -8.559 8.469 1.00 0.00 C ATOM 1057 CG ARG A 71 8.192 -9.227 8.400 1.00 0.00 C ATOM 1058 CD ARG A 71 8.283 -10.386 9.326 1.00 0.00 C ATOM 1059 NE ARG A 71 9.571 -11.054 9.232 1.00 0.00 N ATOM 1060 CZ ARG A 71 10.023 -11.970 10.110 1.00 0.00 C ATOM 1061 NH1 ARG A 71 9.283 -12.314 11.141 1.00 0.00 N1+ ATOM 1062 NH2 ARG A 71 11.212 -12.522 9.937 1.00 0.00 N ATOM 0 H ARG A 71 4.704 -7.373 8.873 1.00 0.00 H new ATOM 0 HA ARG A 71 6.394 -8.854 10.550 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.071 -9.276 8.149 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.806 -7.734 7.757 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.383 -9.560 7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.966 -8.501 8.649 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.124 -10.047 10.349 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.488 -11.096 9.098 1.00 0.00 H new ATOM 0 HE ARG A 71 10.175 -10.812 8.446 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.366 -11.887 11.276 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.625 -13.008 11.806 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.787 -12.254 9.138 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.554 -13.216 10.602 1.00 0.00 H new ATOM 1076 N LEU A 72 7.356 -5.783 9.913 1.00 0.00 N ATOM 1077 CA LEU A 72 8.246 -4.723 10.370 1.00 0.00 C ATOM 1078 C LEU A 72 8.123 -4.509 11.874 1.00 0.00 C ATOM 1079 O LEU A 72 9.123 -4.323 12.568 1.00 0.00 O ATOM 1080 CB LEU A 72 7.933 -3.414 9.635 1.00 0.00 C ATOM 1081 CG LEU A 72 8.323 -3.374 8.152 1.00 0.00 C ATOM 1082 CD1 LEU A 72 7.702 -2.149 7.495 1.00 0.00 C ATOM 1083 CD2 LEU A 72 9.839 -3.353 8.026 1.00 0.00 C ATOM 0 H LEU A 72 6.627 -5.473 9.271 1.00 0.00 H new ATOM 0 HA LEU A 72 9.269 -5.028 10.148 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.863 -3.220 9.716 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.444 -2.599 10.148 1.00 0.00 H new ATOM 0 HG LEU A 72 7.948 -4.263 7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.980 -2.121 6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.617 -2.200 7.583 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.064 -1.248 7.990 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.116 -3.325 6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.234 -2.470 8.529 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.255 -4.249 8.486 1.00 0.00 H new ATOM 1095 N GLN A 73 6.892 -4.539 12.371 1.00 0.00 N ATOM 1096 CA GLN A 73 6.639 -4.400 13.801 1.00 0.00 C ATOM 1097 C GLN A 73 7.212 -5.579 14.578 1.00 0.00 C ATOM 1098 O GLN A 73 7.708 -5.417 15.693 1.00 0.00 O ATOM 1099 CB GLN A 73 5.137 -4.276 14.070 1.00 0.00 C ATOM 1100 CG GLN A 73 4.517 -2.987 13.558 1.00 0.00 C ATOM 1101 CD GLN A 73 5.119 -1.757 14.210 1.00 0.00 C ATOM 1102 OE1 GLN A 73 5.306 -1.711 15.429 1.00 0.00 O ATOM 1103 NE2 GLN A 73 5.425 -0.750 13.400 1.00 0.00 N ATOM 0 H GLN A 73 6.052 -4.658 11.804 1.00 0.00 H new ATOM 0 HA GLN A 73 7.137 -3.492 14.141 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.626 -5.121 13.608 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.964 -4.348 15.144 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.653 -2.926 12.478 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.443 -3.005 13.744 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.253 -0.831 12.398 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.832 0.105 13.780 1.00 0.00 H new ATOM 1112 N GLU A 74 7.140 -6.764 13.982 1.00 0.00 N ATOM 1113 CA GLU A 74 7.713 -7.961 14.586 1.00 0.00 C ATOM 1114 C GLU A 74 9.207 -7.793 14.832 1.00 0.00 C ATOM 1115 O GLU A 74 9.572 -7.862 15.760 1.00 0.00 O ATOM 1116 CB GLU A 74 7.467 -9.179 13.694 1.00 0.00 C ATOM 1117 CG GLU A 74 6.038 -9.703 13.724 1.00 0.00 C ATOM 1118 CD GLU A 74 5.826 -10.879 12.812 1.00 0.00 C ATOM 1119 OE1 GLU A 74 6.756 -11.266 12.147 1.00 0.00 O ATOM 1120 OE2 GLU A 74 4.732 -11.392 12.781 1.00 0.00 O1- ATOM 1121 OXT GLU A 74 9.946 -7.578 13.911 1.00 0.00 O1- ATOM 0 H GLU A 74 6.690 -6.921 13.080 1.00 0.00 H new ATOM 0 HA GLU A 74 7.222 -8.116 15.547 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.724 -8.920 12.667 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.141 -9.979 13.999 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.783 -9.990 14.744 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.357 -8.901 13.439 1.00 0.00 H new TER 1128 GLU A 74