USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 748 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 9 HIS :FLIP no HE2:sc= -0.127 F(o=-2,f=0.77) USER MOD Set 1.2: A 65 TYR OH : rot -102:sc= 0.9 USER MOD Set 2.1: A 17 LYS NZ :NH3+ -171:sc= 0 (180deg=0) USER MOD Set 2.2: A 21 ASN : amide:sc= -0.337 K(o=-0.34,f=-1.6!) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.0945 USER MOD Single : A 10 THR OG1 : rot -120:sc= -1 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 19 LYS NZ :NH3+ -157:sc= 0.266 (180deg=-0.842) USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.011) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.421 K(o=-0.42,f=-5.3!) USER MOD Single : A 34 LYS NZ :NH3+ 154:sc= -0.437 (180deg=-1.4!) USER MOD Single : A 37 GLN : amide:sc=-0.00151 X(o=-0.0015,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -151:sc= -0.179 (180deg=-0.75) USER MOD Single : A 69 GLN :FLIP amide:sc= -1.84! F(o=-2.7,f=-1.8!) USER MOD Single : A 70 MET CE :methyl -118:sc= -0.802 (180deg=-1.31) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot -67:sc= 0.223 USER MOD Single : A 105 SER OG : rot 180:sc= -0.796 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 116 SER OG : rot -45:sc= 0.838 USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 0.754 8.229 -8.892 1.00 0.00 N ATOM 15 CA ILE A 3 1.000 7.648 -7.578 1.00 0.00 C ATOM 16 C ILE A 3 1.328 6.164 -7.691 1.00 0.00 C ATOM 17 O ILE A 3 1.166 5.567 -8.756 1.00 0.00 O ATOM 18 CB ILE A 3 -0.208 7.840 -6.642 1.00 0.00 C ATOM 19 CG1 ILE A 3 -1.505 7.424 -7.336 1.00 0.00 C ATOM 20 CG2 ILE A 3 -0.292 9.288 -6.185 1.00 0.00 C ATOM 21 CD1 ILE A 3 -1.704 5.928 -7.399 1.00 0.00 C ATOM 0 HA ILE A 3 1.856 8.171 -7.151 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.071 7.203 -5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.348 7.873 -6.811 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.510 7.826 -8.349 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.150 9.412 -5.524 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.620 9.554 -5.650 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.406 9.937 -7.053 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.644 5.707 -7.904 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.880 5.474 -7.950 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.731 5.522 -6.388 1.00 0.00 H new ATOM 33 N GLU A 4 1.803 5.571 -6.598 1.00 0.00 N ATOM 34 CA GLU A 4 2.165 4.157 -6.608 1.00 0.00 C ATOM 35 C GLU A 4 1.811 3.461 -5.295 1.00 0.00 C ATOM 36 O GLU A 4 1.460 4.103 -4.298 1.00 0.00 O ATOM 37 CB GLU A 4 3.662 4.000 -6.880 1.00 0.00 C ATOM 38 CG GLU A 4 4.070 4.396 -8.290 1.00 0.00 C ATOM 39 CD GLU A 4 5.461 4.997 -8.346 1.00 0.00 C ATOM 40 OE1 GLU A 4 6.305 4.621 -7.506 1.00 0.00 O ATOM 41 OE2 GLU A 4 5.705 5.845 -9.229 1.00 0.00 O ATOM 0 H GLU A 4 1.945 6.042 -5.704 1.00 0.00 H new ATOM 0 HA GLU A 4 1.589 3.683 -7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.218 4.607 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.947 2.962 -6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.031 3.519 -8.936 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.351 5.114 -8.684 1.00 0.00 H new ATOM 48 N TRP A 5 1.918 2.134 -5.314 1.00 0.00 N ATOM 49 CA TRP A 5 1.630 1.311 -4.146 1.00 0.00 C ATOM 50 C TRP A 5 2.908 1.031 -3.363 1.00 0.00 C ATOM 51 O TRP A 5 3.610 0.058 -3.636 1.00 0.00 O ATOM 52 CB TRP A 5 1.000 -0.015 -4.575 1.00 0.00 C ATOM 53 CG TRP A 5 -0.398 0.115 -5.098 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.773 0.376 -6.385 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.607 -0.022 -4.347 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.142 0.410 -6.479 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.678 0.169 -5.241 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.888 -0.286 -3.006 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -4.007 0.101 -4.834 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -3.207 -0.352 -2.604 1.00 0.00 C ATOM 61 CH2 TRP A 5 -4.253 -0.159 -3.515 1.00 0.00 C ATOM 0 H TRP A 5 2.205 1.603 -6.136 1.00 0.00 H new ATOM 0 HA TRP A 5 0.932 1.855 -3.510 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.624 -0.470 -5.344 1.00 0.00 H new ATOM 0 HB3 TRP A 5 0.997 -0.696 -3.724 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.092 0.533 -7.208 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.674 0.586 -7.331 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -1.088 -0.436 -2.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.815 0.248 -5.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.436 -0.556 -1.569 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.274 -0.217 -3.168 1.00 0.00 H new ATOM 72 N TYR A 6 3.207 1.883 -2.393 1.00 0.00 N ATOM 73 CA TYR A 6 4.406 1.713 -1.582 1.00 0.00 C ATOM 74 C TYR A 6 4.179 0.664 -0.501 1.00 0.00 C ATOM 75 O TYR A 6 3.337 0.835 0.379 1.00 0.00 O ATOM 76 CB TYR A 6 4.817 3.045 -0.958 1.00 0.00 C ATOM 77 CG TYR A 6 5.478 3.983 -1.942 1.00 0.00 C ATOM 78 CD1 TYR A 6 6.852 3.952 -2.143 1.00 0.00 C ATOM 79 CD2 TYR A 6 4.728 4.893 -2.676 1.00 0.00 C ATOM 80 CE1 TYR A 6 7.461 4.803 -3.047 1.00 0.00 C ATOM 81 CE2 TYR A 6 5.328 5.746 -3.581 1.00 0.00 C ATOM 82 CZ TYR A 6 6.695 5.698 -3.762 1.00 0.00 C ATOM 83 OH TYR A 6 7.299 6.547 -4.665 1.00 0.00 O ATOM 0 H TYR A 6 2.640 2.695 -2.148 1.00 0.00 H new ATOM 0 HA TYR A 6 5.214 1.368 -2.228 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.936 3.530 -0.539 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.501 2.856 -0.130 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.455 3.252 -1.584 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.658 4.934 -2.537 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.531 4.766 -3.192 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.730 6.447 -4.144 1.00 0.00 H new ATOM 0 HH TYR A 6 6.619 7.114 -5.086 1.00 0.00 H new ATOM 93 N ALA A 7 4.928 -0.431 -0.584 1.00 0.00 N ATOM 94 CA ALA A 7 4.800 -1.518 0.379 1.00 0.00 C ATOM 95 C ALA A 7 5.796 -1.377 1.524 1.00 0.00 C ATOM 96 O ALA A 7 6.880 -0.816 1.357 1.00 0.00 O ATOM 97 CB ALA A 7 4.979 -2.859 -0.315 1.00 0.00 C ATOM 0 H ALA A 7 5.629 -0.589 -1.308 1.00 0.00 H new ATOM 0 HA ALA A 7 3.798 -1.467 0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.881 -3.662 0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.217 -2.974 -1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.967 -2.903 -0.772 1.00 0.00 H new ATOM 103 N VAL A 8 5.420 -1.900 2.686 1.00 0.00 N ATOM 104 CA VAL A 8 6.271 -1.848 3.869 1.00 0.00 C ATOM 105 C VAL A 8 6.305 -3.204 4.564 1.00 0.00 C ATOM 106 O VAL A 8 5.425 -4.042 4.360 1.00 0.00 O ATOM 107 CB VAL A 8 5.798 -0.757 4.862 1.00 0.00 C ATOM 108 CG1 VAL A 8 4.278 -0.710 4.930 1.00 0.00 C ATOM 109 CG2 VAL A 8 6.391 -0.960 6.252 1.00 0.00 C ATOM 0 H VAL A 8 4.526 -2.368 2.834 1.00 0.00 H new ATOM 0 HA VAL A 8 7.277 -1.591 3.537 1.00 0.00 H new ATOM 0 HB VAL A 8 6.159 0.201 4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.969 0.063 5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.876 -0.484 3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.899 -1.676 5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.035 -0.174 6.918 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.084 -1.931 6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.479 -0.920 6.193 1.00 0.00 H new ATOM 119 N HIS A 9 7.327 -3.412 5.379 1.00 0.00 N ATOM 120 CA HIS A 9 7.484 -4.666 6.108 1.00 0.00 C ATOM 121 C HIS A 9 7.257 -4.461 7.601 1.00 0.00 C ATOM 122 O HIS A 9 8.200 -4.222 8.355 1.00 0.00 O ATOM 123 CB HIS A 9 8.875 -5.253 5.869 1.00 0.00 C ATOM 124 CG HIS A 9 9.356 -5.110 4.457 1.00 0.00 C ATOM 125 ND1 HIS A 9 9.720 -4.013 3.752 1.00 0.00 N flip ATOM 126 CD2 HIS A 9 9.506 -6.179 3.600 1.00 0.00 C flip ATOM 127 CE1 HIS A 9 10.081 -4.436 2.497 1.00 0.00 C flip ATOM 128 NE2 HIS A 9 9.943 -5.747 2.431 1.00 0.00 N flip ATOM 0 H HIS A 9 8.063 -2.728 5.554 1.00 0.00 H new ATOM 0 HA HIS A 9 6.735 -5.365 5.737 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.585 -4.765 6.536 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.864 -6.310 6.134 1.00 0.00 H new ATOM 0 HD1 HIS A 9 9.725 -3.051 4.091 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.298 -7.210 3.846 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.422 -3.800 1.694 1.00 0.00 H new ATOM 137 N THR A 10 6.000 -4.558 8.023 1.00 0.00 N ATOM 138 CA THR A 10 5.650 -4.384 9.428 1.00 0.00 C ATOM 139 C THR A 10 5.850 -5.684 10.201 1.00 0.00 C ATOM 140 O THR A 10 6.354 -6.668 9.661 1.00 0.00 O ATOM 141 CB THR A 10 4.200 -3.917 9.560 1.00 0.00 C ATOM 142 OG1 THR A 10 3.304 -4.979 9.283 1.00 0.00 O ATOM 143 CG2 THR A 10 3.853 -2.771 8.635 1.00 0.00 C ATOM 0 H THR A 10 5.207 -4.756 7.412 1.00 0.00 H new ATOM 0 HA THR A 10 6.308 -3.625 9.850 1.00 0.00 H new ATOM 0 HB THR A 10 4.100 -3.574 10.590 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.734 -4.736 8.524 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.810 -2.489 8.780 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.494 -1.918 8.857 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.005 -3.079 7.601 1.00 0.00 H new ATOM 151 N LEU A 11 5.452 -5.679 11.470 1.00 0.00 N ATOM 152 CA LEU A 11 5.587 -6.858 12.317 1.00 0.00 C ATOM 153 C LEU A 11 4.347 -7.740 12.224 1.00 0.00 C ATOM 154 O LEU A 11 3.218 -7.251 12.289 1.00 0.00 O ATOM 155 CB LEU A 11 5.827 -6.440 13.770 1.00 0.00 C ATOM 156 CG LEU A 11 6.906 -7.237 14.505 1.00 0.00 C ATOM 157 CD1 LEU A 11 7.157 -6.652 15.885 1.00 0.00 C ATOM 158 CD2 LEU A 11 6.505 -8.702 14.610 1.00 0.00 C ATOM 0 H LEU A 11 5.034 -4.872 11.933 1.00 0.00 H new ATOM 0 HA LEU A 11 6.444 -7.433 11.966 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.101 -5.385 13.788 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.890 -6.535 14.319 1.00 0.00 H new ATOM 0 HG LEU A 11 7.832 -7.172 13.933 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.928 -7.233 16.392 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.487 -5.618 15.787 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.236 -6.685 16.467 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.283 -9.255 15.135 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.567 -8.784 15.160 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.377 -9.117 13.610 1.00 0.00 H new ATOM 170 N VAL A 12 4.562 -9.042 12.070 1.00 0.00 N ATOM 171 CA VAL A 12 3.461 -9.993 11.968 1.00 0.00 C ATOM 172 C VAL A 12 2.598 -9.968 13.225 1.00 0.00 C ATOM 173 O VAL A 12 2.988 -10.493 14.269 1.00 0.00 O ATOM 174 CB VAL A 12 3.974 -11.427 11.739 1.00 0.00 C ATOM 175 CG1 VAL A 12 4.446 -11.604 10.305 1.00 0.00 C ATOM 176 CG2 VAL A 12 5.088 -11.760 12.720 1.00 0.00 C ATOM 0 H VAL A 12 5.489 -9.463 12.013 1.00 0.00 H new ATOM 0 HA VAL A 12 2.860 -9.691 11.110 1.00 0.00 H new ATOM 0 HB VAL A 12 3.150 -12.119 11.913 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.805 -12.623 10.163 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.618 -11.413 9.623 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.255 -10.903 10.099 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.437 -12.777 12.542 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.915 -11.063 12.582 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.711 -11.679 13.740 1.00 0.00 H new ATOM 186 N GLY A 13 1.424 -9.354 13.119 1.00 0.00 N ATOM 187 CA GLY A 13 0.523 -9.271 14.254 1.00 0.00 C ATOM 188 C GLY A 13 0.170 -7.840 14.608 1.00 0.00 C ATOM 189 O GLY A 13 -0.922 -7.568 15.106 1.00 0.00 O ATOM 0 H GLY A 13 1.080 -8.912 12.266 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.390 -9.823 14.031 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.984 -9.753 15.116 1.00 0.00 H new ATOM 193 N GLN A 14 1.097 -6.923 14.350 1.00 0.00 N ATOM 194 CA GLN A 14 0.879 -5.511 14.644 1.00 0.00 C ATOM 195 C GLN A 14 0.313 -4.778 13.428 1.00 0.00 C ATOM 196 O GLN A 14 -0.265 -3.699 13.560 1.00 0.00 O ATOM 197 CB GLN A 14 2.186 -4.853 15.091 1.00 0.00 C ATOM 198 CG GLN A 14 2.331 -4.751 16.600 1.00 0.00 C ATOM 199 CD GLN A 14 1.714 -3.485 17.160 1.00 0.00 C ATOM 200 OE1 GLN A 14 0.756 -2.948 16.602 1.00 0.00 O ATOM 201 NE2 GLN A 14 2.261 -2.999 18.268 1.00 0.00 N ATOM 0 H GLN A 14 2.006 -7.132 13.938 1.00 0.00 H new ATOM 0 HA GLN A 14 0.152 -5.444 15.453 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.025 -5.423 14.692 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.246 -3.853 14.660 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.861 -5.617 17.066 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.388 -4.783 16.863 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.054 -3.476 18.697 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.888 -2.148 18.690 1.00 0.00 H new ATOM 210 N GLU A 15 0.484 -5.366 12.247 1.00 0.00 N ATOM 211 CA GLU A 15 -0.012 -4.765 11.012 1.00 0.00 C ATOM 212 C GLU A 15 -1.495 -4.426 11.126 1.00 0.00 C ATOM 213 O GLU A 15 -1.940 -3.375 10.664 1.00 0.00 O ATOM 214 CB GLU A 15 0.220 -5.711 9.833 1.00 0.00 C ATOM 215 CG GLU A 15 -0.438 -7.070 10.004 1.00 0.00 C ATOM 216 CD GLU A 15 0.191 -8.136 9.128 1.00 0.00 C ATOM 217 OE1 GLU A 15 1.382 -7.991 8.779 1.00 0.00 O ATOM 218 OE2 GLU A 15 -0.507 -9.115 8.793 1.00 0.00 O ATOM 0 H GLU A 15 0.962 -6.258 12.119 1.00 0.00 H new ATOM 0 HA GLU A 15 0.538 -3.840 10.841 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.160 -5.245 8.924 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.292 -5.851 9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.368 -7.375 11.048 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.499 -6.989 9.766 1.00 0.00 H new ATOM 225 N GLU A 16 -2.258 -5.323 11.744 1.00 0.00 N ATOM 226 CA GLU A 16 -3.692 -5.119 11.920 1.00 0.00 C ATOM 227 C GLU A 16 -3.968 -3.807 12.649 1.00 0.00 C ATOM 228 O GLU A 16 -4.934 -3.107 12.345 1.00 0.00 O ATOM 229 CB GLU A 16 -4.303 -6.286 12.698 1.00 0.00 C ATOM 230 CG GLU A 16 -4.116 -7.634 12.021 1.00 0.00 C ATOM 231 CD GLU A 16 -3.174 -8.545 12.783 1.00 0.00 C ATOM 232 OE1 GLU A 16 -3.652 -9.292 13.663 1.00 0.00 O ATOM 233 OE2 GLU A 16 -1.959 -8.514 12.499 1.00 0.00 O ATOM 0 H GLU A 16 -1.907 -6.199 12.131 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.151 -5.070 10.933 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.856 -6.323 13.691 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.369 -6.102 12.834 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.085 -8.123 11.920 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.730 -7.480 11.013 1.00 0.00 H new ATOM 240 N LYS A 17 -3.112 -3.482 13.611 1.00 0.00 N ATOM 241 CA LYS A 17 -3.258 -2.255 14.385 1.00 0.00 C ATOM 242 C LYS A 17 -2.512 -1.099 13.723 1.00 0.00 C ATOM 243 O LYS A 17 -2.867 0.065 13.903 1.00 0.00 O ATOM 244 CB LYS A 17 -2.739 -2.461 15.809 1.00 0.00 C ATOM 245 CG LYS A 17 -3.243 -1.422 16.797 1.00 0.00 C ATOM 246 CD LYS A 17 -2.939 -1.823 18.232 1.00 0.00 C ATOM 247 CE LYS A 17 -3.747 -1.002 19.224 1.00 0.00 C ATOM 248 NZ LYS A 17 -2.926 0.062 19.864 1.00 0.00 N ATOM 0 H LYS A 17 -2.308 -4.052 13.874 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.318 -2.005 14.423 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.034 -3.452 16.154 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.649 -2.439 15.796 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.780 -0.459 16.582 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.318 -1.293 16.674 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.160 -2.882 18.369 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.875 -1.691 18.430 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.596 -0.547 18.713 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.153 -1.659 19.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.466 0.498 20.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.052 -0.355 20.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.686 0.787 19.158 1.00 0.00 H new ATOM 262 N ALA A 18 -1.476 -1.429 12.956 1.00 0.00 N ATOM 263 CA ALA A 18 -0.682 -0.418 12.268 1.00 0.00 C ATOM 264 C ALA A 18 -1.549 0.425 11.339 1.00 0.00 C ATOM 265 O ALA A 18 -1.451 1.653 11.326 1.00 0.00 O ATOM 266 CB ALA A 18 0.445 -1.076 11.486 1.00 0.00 C ATOM 0 H ALA A 18 -1.168 -2.388 12.796 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.252 0.244 13.020 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.030 -0.310 10.977 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.088 -1.629 12.170 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.025 -1.761 10.749 1.00 0.00 H new ATOM 272 N LYS A 19 -2.397 -0.240 10.564 1.00 0.00 N ATOM 273 CA LYS A 19 -3.284 0.448 9.632 1.00 0.00 C ATOM 274 C LYS A 19 -4.201 1.418 10.368 1.00 0.00 C ATOM 275 O LYS A 19 -4.344 2.575 9.974 1.00 0.00 O ATOM 276 CB LYS A 19 -4.118 -0.565 8.847 1.00 0.00 C ATOM 277 CG LYS A 19 -4.936 -1.492 9.728 1.00 0.00 C ATOM 278 CD LYS A 19 -5.584 -2.603 8.918 1.00 0.00 C ATOM 279 CE LYS A 19 -6.821 -3.151 9.611 1.00 0.00 C ATOM 280 NZ LYS A 19 -6.544 -4.437 10.307 1.00 0.00 N ATOM 0 H LYS A 19 -2.490 -1.256 10.562 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.667 1.017 8.936 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.789 -0.028 8.177 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.454 -1.163 8.222 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.295 -1.926 10.495 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.707 -0.919 10.244 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.856 -2.225 7.932 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.866 -3.408 8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.187 -2.420 10.332 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.613 -3.299 8.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.432 -4.966 10.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.877 -5.001 9.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.129 -4.244 11.241 1.00 0.00 H new ATOM 294 N ALA A 20 -4.820 0.938 11.443 1.00 0.00 N ATOM 295 CA ALA A 20 -5.723 1.764 12.235 1.00 0.00 C ATOM 296 C ALA A 20 -4.978 2.928 12.877 1.00 0.00 C ATOM 297 O ALA A 20 -5.409 4.077 12.789 1.00 0.00 O ATOM 298 CB ALA A 20 -6.411 0.922 13.300 1.00 0.00 C ATOM 0 H ALA A 20 -4.712 -0.017 11.784 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.481 2.175 11.568 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.082 1.552 13.884 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.983 0.127 12.822 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.661 0.484 13.958 1.00 0.00 H new ATOM 304 N ASN A 21 -3.852 2.625 13.518 1.00 0.00 N ATOM 305 CA ASN A 21 -3.045 3.650 14.168 1.00 0.00 C ATOM 306 C ASN A 21 -2.571 4.683 13.153 1.00 0.00 C ATOM 307 O ASN A 21 -2.425 5.863 13.472 1.00 0.00 O ATOM 308 CB ASN A 21 -1.841 3.015 14.868 1.00 0.00 C ATOM 309 CG ASN A 21 -2.225 2.316 16.158 1.00 0.00 C ATOM 310 OD1 ASN A 21 -3.355 2.431 16.627 1.00 0.00 O ATOM 311 ND2 ASN A 21 -1.278 1.586 16.738 1.00 0.00 N ATOM 0 H ASN A 21 -3.479 1.679 13.600 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.664 4.151 14.913 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.370 2.298 14.196 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.100 3.786 15.082 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.476 1.093 17.609 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.353 1.519 16.313 1.00 0.00 H new ATOM 318 N LEU A 22 -2.337 4.228 11.925 1.00 0.00 N ATOM 319 CA LEU A 22 -1.884 5.108 10.856 1.00 0.00 C ATOM 320 C LEU A 22 -3.047 5.917 10.294 1.00 0.00 C ATOM 321 O LEU A 22 -3.007 7.147 10.270 1.00 0.00 O ATOM 322 CB LEU A 22 -1.229 4.290 9.741 1.00 0.00 C ATOM 323 CG LEU A 22 -0.790 5.093 8.515 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.600 5.674 8.728 1.00 0.00 C ATOM 325 CD2 LEU A 22 -0.820 4.221 7.270 1.00 0.00 C ATOM 0 H LEU A 22 -2.454 3.254 11.647 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.150 5.799 11.269 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.358 3.779 10.151 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.929 3.519 9.419 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.489 5.918 8.374 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.896 6.242 7.846 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.590 6.332 9.597 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.311 4.865 8.894 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.505 4.808 6.407 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.144 3.376 7.401 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.833 3.853 7.108 1.00 0.00 H new ATOM 337 N GLU A 23 -4.085 5.216 9.844 1.00 0.00 N ATOM 338 CA GLU A 23 -5.267 5.866 9.280 1.00 0.00 C ATOM 339 C GLU A 23 -5.744 7.015 10.166 1.00 0.00 C ATOM 340 O GLU A 23 -6.319 7.988 9.680 1.00 0.00 O ATOM 341 CB GLU A 23 -6.393 4.847 9.097 1.00 0.00 C ATOM 342 CG GLU A 23 -7.164 5.022 7.798 1.00 0.00 C ATOM 343 CD GLU A 23 -8.550 5.597 8.013 1.00 0.00 C ATOM 344 OE1 GLU A 23 -8.669 6.590 8.761 1.00 0.00 O ATOM 345 OE2 GLU A 23 -9.516 5.055 7.435 1.00 0.00 O ATOM 0 H GLU A 23 -4.132 4.197 9.859 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.992 6.277 8.309 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.972 3.842 9.128 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.085 4.928 9.935 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.602 5.678 7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.249 4.057 7.298 1.00 0.00 H new ATOM 352 N LYS A 24 -5.498 6.897 11.466 1.00 0.00 N ATOM 353 CA LYS A 24 -5.903 7.929 12.415 1.00 0.00 C ATOM 354 C LYS A 24 -5.011 9.160 12.284 1.00 0.00 C ATOM 355 O LYS A 24 -5.500 10.289 12.234 1.00 0.00 O ATOM 356 CB LYS A 24 -5.848 7.386 13.846 1.00 0.00 C ATOM 357 CG LYS A 24 -7.200 7.372 14.543 1.00 0.00 C ATOM 358 CD LYS A 24 -7.910 6.041 14.352 1.00 0.00 C ATOM 359 CE LYS A 24 -9.400 6.161 14.626 1.00 0.00 C ATOM 360 NZ LYS A 24 -9.676 6.518 16.047 1.00 0.00 N ATOM 0 H LYS A 24 -5.021 6.099 11.887 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.929 8.220 12.189 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.448 6.372 13.826 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.154 7.991 14.429 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.064 7.564 15.607 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.821 8.177 14.151 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.754 5.687 13.333 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.475 5.296 15.019 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.830 6.919 13.971 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.890 5.217 14.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.703 6.524 16.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.230 5.818 16.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.288 7.461 16.250 1.00 0.00 H new ATOM 374 N ARG A 25 -3.703 8.936 12.226 1.00 0.00 N ATOM 375 CA ARG A 25 -2.747 10.028 12.097 1.00 0.00 C ATOM 376 C ARG A 25 -2.811 10.635 10.698 1.00 0.00 C ATOM 377 O ARG A 25 -2.613 11.838 10.523 1.00 0.00 O ATOM 378 CB ARG A 25 -1.329 9.535 12.392 1.00 0.00 C ATOM 379 CG ARG A 25 -0.889 9.774 13.826 1.00 0.00 C ATOM 380 CD ARG A 25 -1.545 8.792 14.781 1.00 0.00 C ATOM 381 NE ARG A 25 -1.700 9.350 16.122 1.00 0.00 N ATOM 382 CZ ARG A 25 -2.681 10.179 16.473 1.00 0.00 C ATOM 383 NH1 ARG A 25 -3.594 10.551 15.583 1.00 0.00 N ATOM 384 NH2 ARG A 25 -2.748 10.640 17.715 1.00 0.00 N ATOM 0 H ARG A 25 -3.281 8.008 12.266 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.008 10.798 12.823 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.272 8.468 12.176 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.632 10.034 11.719 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.195 9.681 13.895 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.141 10.793 14.120 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.523 8.507 14.392 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.946 7.883 14.834 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.016 9.089 16.832 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.545 10.201 14.626 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.344 11.186 15.857 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.048 10.359 18.402 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.500 11.275 17.983 1.00 0.00 H new ATOM 398 N ILE A 26 -3.097 9.797 9.707 1.00 0.00 N ATOM 399 CA ILE A 26 -3.196 10.249 8.326 1.00 0.00 C ATOM 400 C ILE A 26 -4.500 11.008 8.091 1.00 0.00 C ATOM 401 O ILE A 26 -4.589 11.844 7.192 1.00 0.00 O ATOM 402 CB ILE A 26 -3.114 9.064 7.342 1.00 0.00 C ATOM 403 CG1 ILE A 26 -1.832 8.261 7.583 1.00 0.00 C ATOM 404 CG2 ILE A 26 -3.171 9.555 5.901 1.00 0.00 C ATOM 405 CD1 ILE A 26 -0.568 9.028 7.263 1.00 0.00 C ATOM 0 H ILE A 26 -3.264 8.799 9.836 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.354 10.917 8.146 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.971 8.413 7.515 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.801 7.946 8.626 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.861 7.356 6.977 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.112 8.703 5.224 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.108 10.086 5.734 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.334 10.227 5.712 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.299 8.397 7.457 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.576 9.321 6.213 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.515 9.920 7.888 1.00 0.00 H new ATOM 417 N LYS A 27 -5.509 10.713 8.907 1.00 0.00 N ATOM 418 CA LYS A 27 -6.806 11.369 8.786 1.00 0.00 C ATOM 419 C LYS A 27 -6.930 12.519 9.782 1.00 0.00 C ATOM 420 O LYS A 27 -7.624 13.503 9.526 1.00 0.00 O ATOM 421 CB LYS A 27 -7.934 10.360 9.011 1.00 0.00 C ATOM 422 CG LYS A 27 -9.295 10.857 8.552 1.00 0.00 C ATOM 423 CD LYS A 27 -10.356 9.778 8.687 1.00 0.00 C ATOM 424 CE LYS A 27 -11.675 10.212 8.068 1.00 0.00 C ATOM 425 NZ LYS A 27 -12.623 10.736 9.089 1.00 0.00 N ATOM 0 H LYS A 27 -5.453 10.025 9.658 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.887 11.775 7.778 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.696 9.437 8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.985 10.115 10.072 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.583 11.728 9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.234 11.181 7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.010 8.864 8.205 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.507 9.545 9.741 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.488 10.981 7.318 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.129 9.366 7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.510 11.021 8.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.822 9.995 9.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.201 11.559 9.565 1.00 0.00 H new ATOM 439 N ALA A 28 -6.253 12.387 10.918 1.00 0.00 N ATOM 440 CA ALA A 28 -6.287 13.413 11.952 1.00 0.00 C ATOM 441 C ALA A 28 -5.471 14.633 11.538 1.00 0.00 C ATOM 442 O ALA A 28 -5.881 15.773 11.763 1.00 0.00 O ATOM 443 CB ALA A 28 -5.771 12.854 13.269 1.00 0.00 C ATOM 0 H ALA A 28 -5.674 11.579 11.145 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.322 13.726 12.085 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.802 13.632 14.032 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.396 12.017 13.579 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.744 12.512 13.142 1.00 0.00 H new ATOM 449 N PHE A 29 -4.317 14.386 10.929 1.00 0.00 N ATOM 450 CA PHE A 29 -3.444 15.464 10.480 1.00 0.00 C ATOM 451 C PHE A 29 -3.933 16.044 9.157 1.00 0.00 C ATOM 452 O PHE A 29 -3.660 17.200 8.836 1.00 0.00 O ATOM 453 CB PHE A 29 -2.009 14.955 10.328 1.00 0.00 C ATOM 454 CG PHE A 29 -1.229 14.965 11.612 1.00 0.00 C ATOM 455 CD1 PHE A 29 -0.959 16.157 12.264 1.00 0.00 C ATOM 456 CD2 PHE A 29 -0.768 13.781 12.166 1.00 0.00 C ATOM 457 CE1 PHE A 29 -0.242 16.168 13.446 1.00 0.00 C ATOM 458 CE2 PHE A 29 -0.051 13.786 13.347 1.00 0.00 C ATOM 459 CZ PHE A 29 0.212 14.981 13.988 1.00 0.00 C ATOM 0 H PHE A 29 -3.964 13.449 10.735 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.465 16.253 11.232 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.032 13.939 9.935 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.490 15.570 9.592 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.312 17.087 11.845 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.972 12.844 11.669 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.037 17.104 13.945 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.303 12.857 13.768 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.772 14.987 14.912 1.00 0.00 H new ATOM 469 N GLY A 30 -4.658 15.235 8.390 1.00 0.00 N ATOM 470 CA GLY A 30 -5.172 15.685 7.111 1.00 0.00 C ATOM 471 C GLY A 30 -4.283 15.277 5.954 1.00 0.00 C ATOM 472 O GLY A 30 -3.899 16.111 5.131 1.00 0.00 O ATOM 0 H GLY A 30 -4.898 14.274 8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.171 15.276 6.960 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.271 16.770 7.124 1.00 0.00 H new ATOM 476 N LEU A 31 -3.952 13.992 5.889 1.00 0.00 N ATOM 477 CA LEU A 31 -3.101 13.475 4.826 1.00 0.00 C ATOM 478 C LEU A 31 -3.917 12.707 3.795 1.00 0.00 C ATOM 479 O LEU A 31 -3.428 11.757 3.183 1.00 0.00 O ATOM 480 CB LEU A 31 -2.015 12.569 5.403 1.00 0.00 C ATOM 481 CG LEU A 31 -0.772 13.294 5.920 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.232 14.253 4.871 1.00 0.00 C ATOM 483 CD2 LEU A 31 -1.085 14.032 7.214 1.00 0.00 C ATOM 0 H LEU A 31 -4.261 13.290 6.561 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.632 14.326 4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.444 11.989 6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.709 11.859 4.634 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.003 12.550 6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.652 14.758 5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.034 13.697 3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.995 14.993 4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.189 14.542 7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.872 14.764 7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.418 13.319 7.968 1.00 0.00 H new ATOM 495 N GLN A 32 -5.161 13.132 3.599 1.00 0.00 N ATOM 496 CA GLN A 32 -6.041 12.487 2.634 1.00 0.00 C ATOM 497 C GLN A 32 -5.717 12.929 1.205 1.00 0.00 C ATOM 498 O GLN A 32 -6.464 12.632 0.273 1.00 0.00 O ATOM 499 CB GLN A 32 -7.504 12.803 2.961 1.00 0.00 C ATOM 500 CG GLN A 32 -8.290 11.599 3.455 1.00 0.00 C ATOM 501 CD GLN A 32 -7.711 11.007 4.725 1.00 0.00 C ATOM 502 OE1 GLN A 32 -6.788 11.565 5.320 1.00 0.00 O ATOM 503 NE2 GLN A 32 -8.253 9.870 5.147 1.00 0.00 N ATOM 0 H GLN A 32 -5.581 13.918 4.095 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.881 11.411 2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.537 13.585 3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.989 13.203 2.070 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -9.324 11.893 3.634 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.306 10.836 2.677 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.016 9.443 4.622 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.906 9.424 5.996 1.00 0.00 H new ATOM 512 N ASP A 33 -4.601 13.639 1.035 1.00 0.00 N ATOM 513 CA ASP A 33 -4.193 14.112 -0.282 1.00 0.00 C ATOM 514 C ASP A 33 -3.048 13.269 -0.836 1.00 0.00 C ATOM 515 O ASP A 33 -2.824 13.230 -2.047 1.00 0.00 O ATOM 516 CB ASP A 33 -3.770 15.581 -0.210 1.00 0.00 C ATOM 517 CG ASP A 33 -4.956 16.517 -0.082 1.00 0.00 C ATOM 518 OD1 ASP A 33 -6.043 16.174 -0.594 1.00 0.00 O ATOM 519 OD2 ASP A 33 -4.798 17.595 0.531 1.00 0.00 O ATOM 0 H ASP A 33 -3.968 13.897 1.792 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.046 14.017 -0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.104 15.724 0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.203 15.837 -1.105 1.00 0.00 H new ATOM 524 N LYS A 34 -2.325 12.594 0.054 1.00 0.00 N ATOM 525 CA LYS A 34 -1.205 11.753 -0.354 1.00 0.00 C ATOM 526 C LYS A 34 -1.642 10.297 -0.478 1.00 0.00 C ATOM 527 O LYS A 34 -1.405 9.653 -1.499 1.00 0.00 O ATOM 528 CB LYS A 34 -0.057 11.874 0.649 1.00 0.00 C ATOM 529 CG LYS A 34 0.247 13.308 1.055 1.00 0.00 C ATOM 530 CD LYS A 34 1.680 13.695 0.723 1.00 0.00 C ATOM 531 CE LYS A 34 1.943 13.624 -0.773 1.00 0.00 C ATOM 532 NZ LYS A 34 3.364 13.933 -1.101 1.00 0.00 N ATOM 0 H LYS A 34 -2.495 12.613 1.060 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.858 12.094 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.302 11.297 1.541 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.840 11.429 0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.440 13.984 0.545 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.076 13.427 2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.877 14.705 1.081 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.368 13.031 1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.694 12.628 -1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.290 14.326 -1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.622 13.471 -1.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.483 14.962 -1.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.980 13.582 -0.340 1.00 0.00 H new ATOM 546 N ILE A 35 -2.285 9.786 0.567 1.00 0.00 N ATOM 547 CA ILE A 35 -2.760 8.409 0.570 1.00 0.00 C ATOM 548 C ILE A 35 -4.065 8.286 -0.207 1.00 0.00 C ATOM 549 O ILE A 35 -4.843 9.237 -0.281 1.00 0.00 O ATOM 550 CB ILE A 35 -2.986 7.890 2.002 1.00 0.00 C ATOM 551 CG1 ILE A 35 -3.954 8.808 2.751 1.00 0.00 C ATOM 552 CG2 ILE A 35 -1.663 7.783 2.743 1.00 0.00 C ATOM 553 CD1 ILE A 35 -4.982 8.060 3.572 1.00 0.00 C ATOM 0 H ILE A 35 -2.488 10.305 1.421 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.987 7.807 0.093 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.427 6.895 1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.384 9.465 3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.469 9.445 2.031 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.841 7.415 3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.005 7.092 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.193 8.765 2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.635 8.773 4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.577 7.423 2.917 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.476 7.444 4.315 1.00 0.00 H new ATOM 565 N PHE A 36 -4.303 7.115 -0.784 1.00 0.00 N ATOM 566 CA PHE A 36 -5.520 6.883 -1.552 1.00 0.00 C ATOM 567 C PHE A 36 -6.058 5.478 -1.326 1.00 0.00 C ATOM 568 O PHE A 36 -7.260 5.290 -1.132 1.00 0.00 O ATOM 569 CB PHE A 36 -5.261 7.112 -3.040 1.00 0.00 C ATOM 570 CG PHE A 36 -4.641 8.445 -3.335 1.00 0.00 C ATOM 571 CD1 PHE A 36 -5.389 9.609 -3.241 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.310 8.536 -3.702 1.00 0.00 C ATOM 573 CE1 PHE A 36 -4.816 10.838 -3.507 1.00 0.00 C ATOM 574 CE2 PHE A 36 -2.734 9.760 -3.970 1.00 0.00 C ATOM 575 CZ PHE A 36 -3.485 10.913 -3.873 1.00 0.00 C ATOM 0 H PHE A 36 -3.673 6.314 -0.735 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.272 7.593 -1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.607 6.324 -3.413 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.203 7.029 -3.583 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.430 9.554 -2.957 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.715 7.638 -3.779 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.407 11.739 -3.429 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.694 9.816 -4.256 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.034 11.872 -4.082 1.00 0.00 H new ATOM 585 N GLN A 37 -5.172 4.486 -1.357 1.00 0.00 N ATOM 586 CA GLN A 37 -5.592 3.102 -1.159 1.00 0.00 C ATOM 587 C GLN A 37 -4.748 2.393 -0.104 1.00 0.00 C ATOM 588 O GLN A 37 -3.618 2.791 0.183 1.00 0.00 O ATOM 589 CB GLN A 37 -5.522 2.329 -2.476 1.00 0.00 C ATOM 590 CG GLN A 37 -6.222 3.021 -3.632 1.00 0.00 C ATOM 591 CD GLN A 37 -7.280 2.151 -4.281 1.00 0.00 C ATOM 592 OE1 GLN A 37 -8.372 1.974 -3.743 1.00 0.00 O ATOM 593 NE2 GLN A 37 -6.957 1.598 -5.446 1.00 0.00 N ATOM 0 H GLN A 37 -4.172 4.611 -1.515 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.622 3.128 -0.804 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.476 2.172 -2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.966 1.344 -2.332 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.684 3.941 -3.273 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.483 3.306 -4.381 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.039 1.772 -5.856 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.627 1.000 -5.930 1.00 0.00 H new ATOM 602 N VAL A 38 -5.313 1.327 0.456 1.00 0.00 N ATOM 603 CA VAL A 38 -4.638 0.529 1.474 1.00 0.00 C ATOM 604 C VAL A 38 -5.193 -0.892 1.480 1.00 0.00 C ATOM 605 O VAL A 38 -6.071 -1.225 2.274 1.00 0.00 O ATOM 606 CB VAL A 38 -4.804 1.140 2.878 1.00 0.00 C ATOM 607 CG1 VAL A 38 -3.922 0.415 3.884 1.00 0.00 C ATOM 608 CG2 VAL A 38 -4.487 2.627 2.859 1.00 0.00 C ATOM 0 H VAL A 38 -6.247 0.994 0.218 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.577 0.515 1.227 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.843 1.018 3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.053 0.861 4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.202 -0.638 3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.878 0.502 3.582 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.611 3.038 3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.458 2.776 2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.164 3.135 2.172 1.00 0.00 H new ATOM 618 N LEU A 39 -4.682 -1.721 0.574 1.00 0.00 N ATOM 619 CA LEU A 39 -5.133 -3.103 0.457 1.00 0.00 C ATOM 620 C LEU A 39 -4.273 -4.047 1.290 1.00 0.00 C ATOM 621 O LEU A 39 -3.128 -3.736 1.619 1.00 0.00 O ATOM 622 CB LEU A 39 -5.110 -3.536 -1.011 1.00 0.00 C ATOM 623 CG LEU A 39 -6.395 -3.256 -1.791 1.00 0.00 C ATOM 624 CD1 LEU A 39 -7.556 -4.048 -1.211 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.706 -1.765 -1.787 1.00 0.00 C ATOM 0 H LEU A 39 -3.954 -1.458 -0.091 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.153 -3.155 0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.283 -3.030 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.903 -4.605 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.248 -3.573 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.461 -3.835 -1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.334 -5.114 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.706 -3.764 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.624 -1.583 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.833 -1.423 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.884 -1.221 -2.252 1.00 0.00 H new ATOM 637 N ILE A 40 -4.836 -5.206 1.623 1.00 0.00 N ATOM 638 CA ILE A 40 -4.128 -6.207 2.412 1.00 0.00 C ATOM 639 C ILE A 40 -3.851 -7.459 1.577 1.00 0.00 C ATOM 640 O ILE A 40 -4.772 -8.057 1.021 1.00 0.00 O ATOM 641 CB ILE A 40 -4.930 -6.606 3.666 1.00 0.00 C ATOM 642 CG1 ILE A 40 -5.353 -5.361 4.449 1.00 0.00 C ATOM 643 CG2 ILE A 40 -4.110 -7.536 4.546 1.00 0.00 C ATOM 644 CD1 ILE A 40 -6.747 -5.456 5.031 1.00 0.00 C ATOM 0 H ILE A 40 -5.783 -5.474 1.357 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.184 -5.760 2.724 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.829 -7.135 3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.642 -5.191 5.257 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.301 -4.493 3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.690 -7.809 5.427 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.856 -8.436 3.986 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.195 -7.031 4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.979 -4.539 5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.469 -5.595 4.226 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.799 -6.303 5.715 1.00 0.00 H new ATOM 656 N PRO A 41 -2.574 -7.871 1.472 1.00 0.00 N ATOM 657 CA PRO A 41 -2.186 -9.053 0.692 1.00 0.00 C ATOM 658 C PRO A 41 -2.712 -10.355 1.288 1.00 0.00 C ATOM 659 O PRO A 41 -1.985 -11.070 1.979 1.00 0.00 O ATOM 660 CB PRO A 41 -0.658 -9.031 0.740 1.00 0.00 C ATOM 661 CG PRO A 41 -0.320 -8.239 1.954 1.00 0.00 C ATOM 662 CD PRO A 41 -1.409 -7.216 2.095 1.00 0.00 C ATOM 0 HA PRO A 41 -2.599 -9.017 -0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.251 -10.040 0.802 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.242 -8.574 -0.158 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.268 -8.878 2.835 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.654 -7.761 1.850 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.597 -6.970 3.140 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.154 -6.285 1.590 1.00 0.00 H new ATOM 670 N THR A 42 -3.977 -10.660 1.011 1.00 0.00 N ATOM 671 CA THR A 42 -4.596 -11.879 1.517 1.00 0.00 C ATOM 672 C THR A 42 -5.470 -12.531 0.449 1.00 0.00 C ATOM 673 O THR A 42 -6.159 -11.845 -0.308 1.00 0.00 O ATOM 674 CB THR A 42 -5.432 -11.574 2.761 1.00 0.00 C ATOM 675 OG1 THR A 42 -6.244 -10.430 2.551 1.00 0.00 O ATOM 676 CG2 THR A 42 -4.597 -11.323 3.997 1.00 0.00 C ATOM 0 H THR A 42 -4.592 -10.080 0.440 1.00 0.00 H new ATOM 0 HA THR A 42 -3.801 -12.575 1.784 1.00 0.00 H new ATOM 0 HB THR A 42 -6.038 -12.465 2.927 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.772 -10.252 3.357 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.252 -11.113 4.842 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.995 -12.205 4.215 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.941 -10.470 3.826 1.00 0.00 H new ATOM 948 N LYS A 59 -5.749 -17.046 3.258 1.00 0.00 N ATOM 949 CA LYS A 59 -4.319 -17.334 3.249 1.00 0.00 C ATOM 950 C LYS A 59 -3.522 -16.107 2.819 1.00 0.00 C ATOM 951 O LYS A 59 -3.523 -15.732 1.646 1.00 0.00 O ATOM 952 CB LYS A 59 -4.020 -18.504 2.312 1.00 0.00 C ATOM 953 CG LYS A 59 -4.558 -18.309 0.902 1.00 0.00 C ATOM 954 CD LYS A 59 -3.474 -18.516 -0.145 1.00 0.00 C ATOM 955 CE LYS A 59 -3.327 -19.984 -0.515 1.00 0.00 C ATOM 956 NZ LYS A 59 -3.755 -20.250 -1.916 1.00 0.00 N ATOM 0 HA LYS A 59 -4.020 -17.604 4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.941 -18.653 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.448 -19.414 2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.375 -19.008 0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.971 -17.305 0.805 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.714 -17.937 -1.037 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.524 -18.139 0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.288 -20.288 -0.389 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.921 -20.592 0.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.639 -21.261 -2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.754 -19.984 -2.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.171 -19.690 -2.570 1.00 0.00 H new ATOM 970 N LYS A 60 -2.843 -15.483 3.778 1.00 0.00 N ATOM 971 CA LYS A 60 -2.043 -14.296 3.498 1.00 0.00 C ATOM 972 C LYS A 60 -0.952 -14.601 2.477 1.00 0.00 C ATOM 973 O LYS A 60 -0.048 -15.393 2.736 1.00 0.00 O ATOM 974 CB LYS A 60 -1.414 -13.767 4.789 1.00 0.00 C ATOM 975 CG LYS A 60 -2.415 -13.569 5.915 1.00 0.00 C ATOM 976 CD LYS A 60 -1.886 -12.609 6.970 1.00 0.00 C ATOM 977 CE LYS A 60 -1.433 -13.346 8.220 1.00 0.00 C ATOM 978 NZ LYS A 60 -2.548 -14.106 8.851 1.00 0.00 N ATOM 0 H LYS A 60 -2.831 -15.780 4.754 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.702 -13.534 3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.641 -14.462 5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.921 -12.817 4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.350 -13.184 5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.640 -14.531 6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.052 -12.040 6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.663 -11.891 7.232 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.625 -14.032 7.965 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.029 -12.631 8.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.385 -14.175 9.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.447 -13.613 8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.592 -15.061 8.442 1.00 0.00 H new ATOM 992 N LEU A 61 -1.044 -13.963 1.313 1.00 0.00 N ATOM 993 CA LEU A 61 -0.063 -14.166 0.253 1.00 0.00 C ATOM 994 C LEU A 61 1.259 -13.491 0.604 1.00 0.00 C ATOM 995 O LEU A 61 2.329 -14.077 0.442 1.00 0.00 O ATOM 996 CB LEU A 61 -0.591 -13.617 -1.074 1.00 0.00 C ATOM 997 CG LEU A 61 -1.763 -14.392 -1.677 1.00 0.00 C ATOM 998 CD1 LEU A 61 -2.096 -13.860 -3.062 1.00 0.00 C ATOM 999 CD2 LEU A 61 -1.443 -15.881 -1.739 1.00 0.00 C ATOM 0 H LEU A 61 -1.786 -13.303 1.081 1.00 0.00 H new ATOM 0 HA LEU A 61 0.109 -15.237 0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.899 -12.582 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.226 -13.605 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.634 -14.254 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.932 -14.423 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.367 -12.807 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.228 -13.969 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.288 -16.417 -2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.559 -16.038 -2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.252 -16.254 -0.733 1.00 0.00 H new ATOM 1011 N PHE A 62 1.176 -12.257 1.091 1.00 0.00 N ATOM 1012 CA PHE A 62 2.367 -11.504 1.472 1.00 0.00 C ATOM 1013 C PHE A 62 2.326 -11.148 2.956 1.00 0.00 C ATOM 1014 O PHE A 62 1.835 -10.085 3.333 1.00 0.00 O ATOM 1015 CB PHE A 62 2.491 -10.231 0.630 1.00 0.00 C ATOM 1016 CG PHE A 62 2.440 -10.480 -0.853 1.00 0.00 C ATOM 1017 CD1 PHE A 62 1.226 -10.652 -1.499 1.00 0.00 C ATOM 1018 CD2 PHE A 62 3.606 -10.537 -1.597 1.00 0.00 C ATOM 1019 CE1 PHE A 62 1.178 -10.877 -2.862 1.00 0.00 C ATOM 1020 CE2 PHE A 62 3.564 -10.763 -2.960 1.00 0.00 C ATOM 1021 CZ PHE A 62 2.349 -10.933 -3.593 1.00 0.00 C ATOM 0 H PHE A 62 0.298 -11.757 1.231 1.00 0.00 H new ATOM 0 HA PHE A 62 3.239 -12.132 1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.688 -9.546 0.902 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.430 -9.734 0.874 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.308 -10.610 -0.932 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.559 -10.403 -1.107 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.226 -11.009 -3.355 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.481 -10.807 -3.529 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.314 -11.109 -4.658 1.00 0.00 H new ATOM 1031 N PRO A 63 2.839 -12.040 3.822 1.00 0.00 N ATOM 1032 CA PRO A 63 2.853 -11.813 5.272 1.00 0.00 C ATOM 1033 C PRO A 63 3.719 -10.620 5.663 1.00 0.00 C ATOM 1034 O PRO A 63 4.824 -10.445 5.149 1.00 0.00 O ATOM 1035 CB PRO A 63 3.440 -13.110 5.839 1.00 0.00 C ATOM 1036 CG PRO A 63 4.188 -13.723 4.705 1.00 0.00 C ATOM 1037 CD PRO A 63 3.442 -13.335 3.461 1.00 0.00 C ATOM 0 HA PRO A 63 1.859 -11.582 5.654 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.099 -12.909 6.684 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.654 -13.775 6.199 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.215 -13.360 4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.236 -14.807 4.809 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.109 -13.244 2.603 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.684 -14.073 3.199 1.00 0.00 H new ATOM 1045 N GLY A 64 3.208 -9.801 6.577 1.00 0.00 N ATOM 1046 CA GLY A 64 3.945 -8.633 7.023 1.00 0.00 C ATOM 1047 C GLY A 64 4.129 -7.606 5.922 1.00 0.00 C ATOM 1048 O GLY A 64 5.037 -6.778 5.984 1.00 0.00 O ATOM 0 H GLY A 64 2.296 -9.926 7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.419 -8.173 7.860 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.922 -8.943 7.393 1.00 0.00 H new ATOM 1052 N TYR A 65 3.266 -7.659 4.912 1.00 0.00 N ATOM 1053 CA TYR A 65 3.340 -6.725 3.794 1.00 0.00 C ATOM 1054 C TYR A 65 2.052 -5.916 3.672 1.00 0.00 C ATOM 1055 O TYR A 65 0.956 -6.477 3.627 1.00 0.00 O ATOM 1056 CB TYR A 65 3.603 -7.479 2.489 1.00 0.00 C ATOM 1057 CG TYR A 65 5.070 -7.703 2.197 1.00 0.00 C ATOM 1058 CD1 TYR A 65 5.905 -8.292 3.139 1.00 0.00 C ATOM 1059 CD2 TYR A 65 5.620 -7.329 0.977 1.00 0.00 C ATOM 1060 CE1 TYR A 65 7.245 -8.501 2.874 1.00 0.00 C ATOM 1061 CE2 TYR A 65 6.960 -7.535 0.704 1.00 0.00 C ATOM 1062 CZ TYR A 65 7.767 -8.121 1.657 1.00 0.00 C ATOM 1063 OH TYR A 65 9.101 -8.328 1.387 1.00 0.00 O ATOM 0 H TYR A 65 2.508 -8.338 4.845 1.00 0.00 H new ATOM 0 HA TYR A 65 4.164 -6.038 3.984 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.099 -8.445 2.531 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.159 -6.923 1.663 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.500 -8.591 4.094 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.990 -6.870 0.229 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.880 -8.960 3.617 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.372 -7.239 -0.249 1.00 0.00 H new ATOM 0 HH TYR A 65 9.590 -7.485 1.487 1.00 0.00 H new ATOM 1073 N LEU A 66 2.190 -4.596 3.617 1.00 0.00 N ATOM 1074 CA LEU A 66 1.038 -3.710 3.496 1.00 0.00 C ATOM 1075 C LEU A 66 1.153 -2.848 2.243 1.00 0.00 C ATOM 1076 O LEU A 66 2.145 -2.146 2.052 1.00 0.00 O ATOM 1077 CB LEU A 66 0.917 -2.817 4.734 1.00 0.00 C ATOM 1078 CG LEU A 66 -0.401 -2.940 5.501 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -0.275 -2.314 6.882 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -1.532 -2.286 4.722 1.00 0.00 C ATOM 0 H LEU A 66 3.089 -4.115 3.654 1.00 0.00 H new ATOM 0 HA LEU A 66 0.142 -4.326 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.737 -3.052 5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.044 -1.779 4.427 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.632 -3.998 5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.222 -2.411 7.413 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.509 -2.823 7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.022 -1.259 6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.462 -2.382 5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.307 -1.230 4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.638 -2.776 3.754 1.00 0.00 H new ATOM 1092 N PHE A 67 0.132 -2.901 1.394 1.00 0.00 N ATOM 1093 CA PHE A 67 0.123 -2.120 0.163 1.00 0.00 C ATOM 1094 C PHE A 67 -0.578 -0.786 0.376 1.00 0.00 C ATOM 1095 O PHE A 67 -1.732 -0.740 0.804 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.565 -2.899 -0.960 1.00 0.00 C ATOM 1097 CG PHE A 67 -0.035 -4.295 -1.140 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.311 -4.574 -0.961 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -0.888 -5.329 -1.489 1.00 0.00 C ATOM 1100 CE1 PHE A 67 1.796 -5.858 -1.127 1.00 0.00 C ATOM 1101 CE2 PHE A 67 -0.408 -6.614 -1.657 1.00 0.00 C ATOM 1102 CZ PHE A 67 0.936 -6.878 -1.475 1.00 0.00 C ATOM 0 H PHE A 67 -0.699 -3.476 1.536 1.00 0.00 H new ATOM 0 HA PHE A 67 1.157 -1.928 -0.123 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.634 -2.950 -0.753 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.447 -2.352 -1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.989 -3.779 -0.689 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.940 -5.129 -1.631 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.847 -6.062 -0.984 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.083 -7.411 -1.930 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.312 -7.882 -1.605 1.00 0.00 H new ATOM 1112 N ILE A 68 0.128 0.301 0.083 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.428 1.638 0.252 1.00 0.00 C ATOM 1114 C ILE A 68 -0.251 2.478 -1.006 1.00 0.00 C ATOM 1115 O ILE A 68 0.864 2.877 -1.344 1.00 0.00 O ATOM 1116 CB ILE A 68 0.230 2.380 1.435 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.467 1.430 2.611 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.630 3.560 1.863 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.932 1.140 2.865 1.00 0.00 C ATOM 0 H ILE A 68 1.084 0.282 -0.272 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.491 1.506 0.454 1.00 0.00 H new ATOM 0 HB ILE A 68 1.199 2.757 1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.028 1.861 3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.054 0.492 2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.153 4.074 2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.741 4.251 1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.612 3.202 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.027 0.460 3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.371 0.680 1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.454 2.071 3.087 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.356 2.762 -1.688 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.312 3.575 -2.897 1.00 0.00 C ATOM 1133 C GLN A 69 -1.225 5.048 -2.518 1.00 0.00 C ATOM 1134 O GLN A 69 -2.197 5.795 -2.647 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.547 3.324 -3.763 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.383 3.795 -5.200 1.00 0.00 C ATOM 1137 CD GLN A 69 -3.649 3.626 -6.018 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -4.502 4.643 -6.005 1.00 0.00 O flip ATOM 1139 NE2 GLN A 69 -3.857 2.592 -6.654 1.00 0.00 N flip ATOM 0 H GLN A 69 -2.288 2.443 -1.425 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.430 3.298 -3.475 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.772 2.257 -3.761 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.403 3.831 -3.318 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.091 4.845 -5.203 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.574 3.237 -5.671 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.173 1.835 -6.635 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.713 2.492 -7.200 1.00 0.00 H new ATOM 1148 N MET A 70 -0.055 5.444 -2.024 1.00 0.00 N ATOM 1149 CA MET A 70 0.182 6.821 -1.597 1.00 0.00 C ATOM 1150 C MET A 70 0.761 7.674 -2.724 1.00 0.00 C ATOM 1151 O MET A 70 0.935 7.207 -3.848 1.00 0.00 O ATOM 1152 CB MET A 70 1.121 6.847 -0.389 1.00 0.00 C ATOM 1153 CG MET A 70 2.479 6.221 -0.657 1.00 0.00 C ATOM 1154 SD MET A 70 3.561 6.264 0.785 1.00 0.00 S ATOM 1155 CE MET A 70 2.683 5.173 1.900 1.00 0.00 C ATOM 0 H MET A 70 0.749 4.827 -1.909 1.00 0.00 H new ATOM 0 HA MET A 70 -0.782 7.247 -1.318 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.263 7.880 -0.073 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.646 6.322 0.440 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.342 5.187 -0.973 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.960 6.745 -1.483 1.00 0.00 H new ATOM 0 HE1 MET A 70 2.381 5.727 2.789 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.798 4.778 1.401 1.00 0.00 H new ATOM 0 HE3 MET A 70 3.334 4.349 2.191 1.00 0.00 H new ATOM 1165 N ASP A 71 1.068 8.928 -2.399 1.00 0.00 N ATOM 1166 CA ASP A 71 1.642 9.862 -3.362 1.00 0.00 C ATOM 1167 C ASP A 71 3.027 10.319 -2.911 1.00 0.00 C ATOM 1168 O ASP A 71 3.150 11.208 -2.070 1.00 0.00 O ATOM 1169 CB ASP A 71 0.730 11.078 -3.533 1.00 0.00 C ATOM 1170 CG ASP A 71 0.864 11.719 -4.901 1.00 0.00 C ATOM 1171 OD1 ASP A 71 1.755 11.299 -5.670 1.00 0.00 O ATOM 1172 OD2 ASP A 71 0.077 12.641 -5.204 1.00 0.00 O ATOM 0 H ASP A 71 0.927 9.322 -1.469 1.00 0.00 H new ATOM 0 HA ASP A 71 1.735 9.347 -4.318 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.306 10.776 -3.377 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.966 11.815 -2.766 1.00 0.00 H new ATOM 1177 N LEU A 72 4.063 9.707 -3.474 1.00 0.00 N ATOM 1178 CA LEU A 72 5.437 10.059 -3.123 1.00 0.00 C ATOM 1179 C LEU A 72 6.235 10.482 -4.356 1.00 0.00 C ATOM 1180 O LEU A 72 7.446 10.688 -4.276 1.00 0.00 O ATOM 1181 CB LEU A 72 6.127 8.877 -2.439 1.00 0.00 C ATOM 1182 CG LEU A 72 5.476 8.412 -1.136 1.00 0.00 C ATOM 1183 CD1 LEU A 72 6.276 7.277 -0.516 1.00 0.00 C ATOM 1184 CD2 LEU A 72 5.350 9.573 -0.161 1.00 0.00 C ATOM 0 H LEU A 72 3.980 8.968 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 72 5.399 10.904 -2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.151 8.038 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.162 9.150 -2.233 1.00 0.00 H new ATOM 0 HG LEU A 72 4.476 8.043 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.798 6.959 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.316 6.438 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.289 7.620 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.885 9.225 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.340 9.972 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.735 10.356 -0.605 1.00 0.00 H new ATOM 1245 N GLU A 77 11.936 15.741 -1.978 1.00 0.00 N ATOM 1246 CA GLU A 77 11.572 14.730 -0.994 1.00 0.00 C ATOM 1247 C GLU A 77 10.059 14.695 -0.784 1.00 0.00 C ATOM 1248 O GLU A 77 9.346 15.605 -1.208 1.00 0.00 O ATOM 1249 CB GLU A 77 12.279 15.005 0.335 1.00 0.00 C ATOM 1250 CG GLU A 77 13.524 14.160 0.548 1.00 0.00 C ATOM 1251 CD GLU A 77 14.188 14.425 1.884 1.00 0.00 C ATOM 1252 OE1 GLU A 77 13.573 14.117 2.926 1.00 0.00 O ATOM 1253 OE2 GLU A 77 15.326 14.941 1.889 1.00 0.00 O ATOM 0 HA GLU A 77 11.890 13.758 -1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.553 16.059 0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.582 14.822 1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.258 13.105 0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.236 14.360 -0.253 1.00 0.00 H new ATOM 1260 N PRO A 78 9.549 13.641 -0.124 1.00 0.00 N ATOM 1261 CA PRO A 78 8.114 13.496 0.139 1.00 0.00 C ATOM 1262 C PRO A 78 7.606 14.515 1.153 1.00 0.00 C ATOM 1263 O PRO A 78 8.392 15.214 1.792 1.00 0.00 O ATOM 1264 CB PRO A 78 7.997 12.077 0.702 1.00 0.00 C ATOM 1265 CG PRO A 78 9.338 11.788 1.284 1.00 0.00 C ATOM 1266 CD PRO A 78 10.330 12.512 0.416 1.00 0.00 C ATOM 0 HA PRO A 78 7.516 13.664 -0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.215 12.015 1.459 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.742 11.361 -0.079 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.398 12.133 2.316 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.537 10.716 1.294 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.190 12.856 0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.712 11.871 -0.378 1.00 0.00 H new ATOM 1274 N ASN A 79 6.289 14.594 1.295 1.00 0.00 N ATOM 1275 CA ASN A 79 5.675 15.529 2.231 1.00 0.00 C ATOM 1276 C ASN A 79 5.624 14.935 3.636 1.00 0.00 C ATOM 1277 O ASN A 79 6.286 13.937 3.923 1.00 0.00 O ATOM 1278 CB ASN A 79 4.265 15.899 1.762 1.00 0.00 C ATOM 1279 CG ASN A 79 4.113 17.385 1.500 1.00 0.00 C ATOM 1280 OD1 ASN A 79 3.380 18.079 2.204 1.00 0.00 O ATOM 1281 ND2 ASN A 79 4.808 17.879 0.482 1.00 0.00 N ATOM 0 H ASN A 79 5.625 14.022 0.774 1.00 0.00 H new ATOM 0 HA ASN A 79 6.285 16.432 2.262 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.031 15.347 0.852 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.542 15.590 2.517 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.747 18.872 0.257 1.00 0.00 H new ATOM 0 HD22 ASN A 79 5.403 17.266 -0.075 1.00 0.00 H new ATOM 1288 N GLU A 80 4.835 15.556 4.507 1.00 0.00 N ATOM 1289 CA GLU A 80 4.696 15.090 5.882 1.00 0.00 C ATOM 1290 C GLU A 80 4.212 13.643 5.929 1.00 0.00 C ATOM 1291 O GLU A 80 4.398 12.949 6.928 1.00 0.00 O ATOM 1292 CB GLU A 80 3.726 15.990 6.650 1.00 0.00 C ATOM 1293 CG GLU A 80 2.339 16.057 6.030 1.00 0.00 C ATOM 1294 CD GLU A 80 1.736 17.446 6.101 1.00 0.00 C ATOM 1295 OE1 GLU A 80 2.128 18.305 5.285 1.00 0.00 O ATOM 1296 OE2 GLU A 80 0.871 17.674 6.973 1.00 0.00 O ATOM 0 H GLU A 80 4.282 16.384 4.285 1.00 0.00 H new ATOM 0 HA GLU A 80 5.678 15.136 6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.640 15.627 7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.141 16.997 6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.395 15.742 4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.682 15.353 6.541 1.00 0.00 H new ATOM 1303 N ALA A 81 3.587 13.191 4.843 1.00 0.00 N ATOM 1304 CA ALA A 81 3.072 11.826 4.762 1.00 0.00 C ATOM 1305 C ALA A 81 4.116 10.808 5.218 1.00 0.00 C ATOM 1306 O ALA A 81 3.809 9.885 5.971 1.00 0.00 O ATOM 1307 CB ALA A 81 2.621 11.518 3.343 1.00 0.00 C ATOM 0 H ALA A 81 3.425 13.751 4.006 1.00 0.00 H new ATOM 0 HA ALA A 81 2.216 11.750 5.433 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.239 10.498 3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.834 12.214 3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.466 11.621 2.662 1.00 0.00 H new ATOM 1313 N TRP A 82 5.350 10.984 4.755 1.00 0.00 N ATOM 1314 CA TRP A 82 6.436 10.079 5.117 1.00 0.00 C ATOM 1315 C TRP A 82 6.801 10.232 6.589 1.00 0.00 C ATOM 1316 O TRP A 82 7.145 9.258 7.258 1.00 0.00 O ATOM 1317 CB TRP A 82 7.663 10.346 4.242 1.00 0.00 C ATOM 1318 CG TRP A 82 8.658 9.225 4.257 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.999 9.323 4.493 1.00 0.00 C ATOM 1320 CD2 TRP A 82 8.391 7.838 4.026 1.00 0.00 C ATOM 1321 NE1 TRP A 82 10.582 8.081 4.423 1.00 0.00 N ATOM 1322 CE2 TRP A 82 9.616 7.153 4.138 1.00 0.00 C ATOM 1323 CE3 TRP A 82 7.235 7.106 3.737 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 9.717 5.774 3.969 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 7.337 5.738 3.570 1.00 0.00 C ATOM 1326 CH2 TRP A 82 8.570 5.084 3.687 1.00 0.00 C ATOM 0 H TRP A 82 5.622 11.743 4.130 1.00 0.00 H new ATOM 0 HA TRP A 82 6.097 9.057 4.950 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.338 10.520 3.216 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.151 11.260 4.581 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.525 10.243 4.704 1.00 0.00 H new ATOM 0 HE1 TRP A 82 11.573 7.882 4.561 1.00 0.00 H new ATOM 0 HE3 TRP A 82 6.279 7.601 3.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.667 5.268 4.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 6.451 5.163 3.345 1.00 0.00 H new ATOM 0 HH2 TRP A 82 8.616 4.013 3.552 1.00 0.00 H new ATOM 1337 N GLU A 83 6.717 11.461 7.088 1.00 0.00 N ATOM 1338 CA GLU A 83 7.035 11.743 8.484 1.00 0.00 C ATOM 1339 C GLU A 83 5.985 11.140 9.411 1.00 0.00 C ATOM 1340 O GLU A 83 6.284 10.768 10.546 1.00 0.00 O ATOM 1341 CB GLU A 83 7.127 13.253 8.711 1.00 0.00 C ATOM 1342 CG GLU A 83 8.187 13.934 7.860 1.00 0.00 C ATOM 1343 CD GLU A 83 9.367 14.422 8.676 1.00 0.00 C ATOM 1344 OE1 GLU A 83 10.164 13.575 9.132 1.00 0.00 O ATOM 1345 OE2 GLU A 83 9.494 15.651 8.860 1.00 0.00 O ATOM 0 H GLU A 83 6.432 12.277 6.547 1.00 0.00 H new ATOM 0 HA GLU A 83 7.999 11.289 8.712 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.158 13.704 8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.342 13.441 9.763 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.540 13.237 7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.739 14.778 7.336 1.00 0.00 H new ATOM 1352 N VAL A 84 4.753 11.048 8.920 1.00 0.00 N ATOM 1353 CA VAL A 84 3.657 10.492 9.704 1.00 0.00 C ATOM 1354 C VAL A 84 3.702 8.967 9.708 1.00 0.00 C ATOM 1355 O VAL A 84 3.657 8.337 10.764 1.00 0.00 O ATOM 1356 CB VAL A 84 2.289 10.952 9.161 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.170 10.513 10.091 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.273 12.462 8.969 1.00 0.00 C ATOM 0 H VAL A 84 4.489 11.352 7.983 1.00 0.00 H new ATOM 0 HA VAL A 84 3.778 10.859 10.723 1.00 0.00 H new ATOM 0 HB VAL A 84 2.126 10.483 8.191 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.213 10.847 9.691 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.170 9.426 10.173 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.324 10.951 11.077 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.300 12.770 8.585 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.458 12.952 9.925 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.050 12.747 8.259 1.00 0.00 H new ATOM 1368 N VAL A 85 3.789 8.380 8.518 1.00 0.00 N ATOM 1369 CA VAL A 85 3.840 6.929 8.385 1.00 0.00 C ATOM 1370 C VAL A 85 5.047 6.351 9.117 1.00 0.00 C ATOM 1371 O VAL A 85 4.930 5.370 9.850 1.00 0.00 O ATOM 1372 CB VAL A 85 3.897 6.502 6.905 1.00 0.00 C ATOM 1373 CG1 VAL A 85 3.797 4.989 6.780 1.00 0.00 C ATOM 1374 CG2 VAL A 85 2.795 7.185 6.107 1.00 0.00 C ATOM 0 H VAL A 85 3.826 8.887 7.633 1.00 0.00 H new ATOM 0 HA VAL A 85 2.926 6.538 8.833 1.00 0.00 H new ATOM 0 HB VAL A 85 4.857 6.814 6.494 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.839 4.707 5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.626 4.524 7.314 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.854 4.650 7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.852 6.871 5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.824 6.908 6.517 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.919 8.266 6.167 1.00 0.00 H new ATOM 1384 N ARG A 86 6.205 6.969 8.916 1.00 0.00 N ATOM 1385 CA ARG A 86 7.434 6.516 9.559 1.00 0.00 C ATOM 1386 C ARG A 86 7.370 6.730 11.069 1.00 0.00 C ATOM 1387 O ARG A 86 8.022 6.019 11.834 1.00 0.00 O ATOM 1388 CB ARG A 86 8.640 7.257 8.977 1.00 0.00 C ATOM 1389 CG ARG A 86 9.977 6.669 9.400 1.00 0.00 C ATOM 1390 CD ARG A 86 10.979 6.676 8.256 1.00 0.00 C ATOM 1391 NE ARG A 86 12.161 7.474 8.568 1.00 0.00 N ATOM 1392 CZ ARG A 86 13.318 7.370 7.918 1.00 0.00 C ATOM 1393 NH1 ARG A 86 13.453 6.504 6.922 1.00 0.00 N ATOM 1394 NH2 ARG A 86 14.345 8.134 8.268 1.00 0.00 N ATOM 0 H ARG A 86 6.319 7.784 8.314 1.00 0.00 H new ATOM 0 HA ARG A 86 7.544 5.449 9.367 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.574 7.243 7.889 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.598 8.302 9.286 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.377 7.239 10.238 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.831 5.647 9.750 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.281 5.653 8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.502 7.070 7.359 1.00 0.00 H new ATOM 0 HE ARG A 86 12.097 8.151 9.328 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.667 5.913 6.650 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.342 6.429 6.428 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.247 8.800 9.034 1.00 0.00 H new ATOM 0 HH22 ARG A 86 15.232 8.055 7.771 1.00 0.00 H new ATOM 1408 N GLY A 87 6.582 7.713 11.490 1.00 0.00 N ATOM 1409 CA GLY A 87 6.449 8.002 12.907 1.00 0.00 C ATOM 1410 C GLY A 87 5.518 7.037 13.614 1.00 0.00 C ATOM 1411 O GLY A 87 5.655 6.801 14.814 1.00 0.00 O ATOM 0 H GLY A 87 6.033 8.315 10.876 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.432 7.962 13.376 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.077 9.019 13.033 1.00 0.00 H new ATOM 1415 N THR A 88 4.566 6.480 12.870 1.00 0.00 N ATOM 1416 CA THR A 88 3.609 5.537 13.440 1.00 0.00 C ATOM 1417 C THR A 88 4.324 4.319 14.021 1.00 0.00 C ATOM 1418 O THR A 88 5.318 3.850 13.466 1.00 0.00 O ATOM 1419 CB THR A 88 2.604 5.092 12.376 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.243 4.332 11.367 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.894 6.246 11.702 1.00 0.00 C ATOM 0 H THR A 88 4.437 6.664 11.875 1.00 0.00 H new ATOM 0 HA THR A 88 3.076 6.042 14.246 1.00 0.00 H new ATOM 0 HB THR A 88 1.865 4.495 12.911 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.856 4.907 10.863 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.196 5.860 10.959 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.347 6.823 12.448 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.626 6.888 11.213 1.00 0.00 H new ATOM 1429 N PRO A 89 3.827 3.789 15.152 1.00 0.00 N ATOM 1430 CA PRO A 89 4.426 2.621 15.805 1.00 0.00 C ATOM 1431 C PRO A 89 4.125 1.318 15.069 1.00 0.00 C ATOM 1432 O PRO A 89 4.748 0.290 15.332 1.00 0.00 O ATOM 1433 CB PRO A 89 3.767 2.617 17.184 1.00 0.00 C ATOM 1434 CG PRO A 89 2.440 3.259 16.967 1.00 0.00 C ATOM 1435 CD PRO A 89 2.645 4.285 15.884 1.00 0.00 C ATOM 0 HA PRO A 89 5.514 2.683 15.832 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.659 1.603 17.569 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.362 3.172 17.910 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.694 2.522 16.669 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.078 3.726 17.883 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.774 4.360 15.234 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.819 5.277 16.300 1.00 0.00 H new ATOM 1443 N GLY A 90 3.164 1.364 14.150 1.00 0.00 N ATOM 1444 CA GLY A 90 2.801 0.177 13.397 1.00 0.00 C ATOM 1445 C GLY A 90 3.571 0.040 12.096 1.00 0.00 C ATOM 1446 O GLY A 90 3.455 -0.974 11.407 1.00 0.00 O ATOM 0 H GLY A 90 2.631 2.201 13.914 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.979 -0.705 14.012 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.733 0.204 13.179 1.00 0.00 H new ATOM 1450 N ILE A 91 4.357 1.058 11.753 1.00 0.00 N ATOM 1451 CA ILE A 91 5.141 1.034 10.524 1.00 0.00 C ATOM 1452 C ILE A 91 6.413 0.207 10.705 1.00 0.00 C ATOM 1453 O ILE A 91 6.889 -0.432 9.766 1.00 0.00 O ATOM 1454 CB ILE A 91 5.507 2.465 10.063 1.00 0.00 C ATOM 1455 CG1 ILE A 91 6.006 2.456 8.613 1.00 0.00 C ATOM 1456 CG2 ILE A 91 6.534 3.096 10.996 1.00 0.00 C ATOM 1457 CD1 ILE A 91 7.390 1.865 8.434 1.00 0.00 C ATOM 0 H ILE A 91 4.467 1.907 12.308 1.00 0.00 H new ATOM 0 HA ILE A 91 4.525 0.570 9.754 1.00 0.00 H new ATOM 0 HB ILE A 91 4.605 3.076 10.105 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.301 1.892 8.002 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.009 3.479 8.235 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.773 4.101 10.648 1.00 0.00 H new ATOM 0 HG22 ILE A 91 6.125 3.149 12.005 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.440 2.490 11.003 1.00 0.00 H new ATOM 0 HD11 ILE A 91 7.666 1.897 7.380 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.110 2.441 9.015 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.391 0.831 8.778 1.00 0.00 H new ATOM 1567 N ARG A 100 15.246 2.316 0.734 1.00 0.00 N ATOM 1568 CA ARG A 100 14.198 3.287 0.449 1.00 0.00 C ATOM 1569 C ARG A 100 12.875 2.587 0.143 1.00 0.00 C ATOM 1570 O ARG A 100 12.861 1.440 -0.306 1.00 0.00 O ATOM 1571 CB ARG A 100 14.605 4.172 -0.732 1.00 0.00 C ATOM 1572 CG ARG A 100 14.733 3.417 -2.045 1.00 0.00 C ATOM 1573 CD ARG A 100 16.187 3.247 -2.456 1.00 0.00 C ATOM 1574 NE ARG A 100 16.321 2.464 -3.683 1.00 0.00 N ATOM 1575 CZ ARG A 100 17.457 2.345 -4.367 1.00 0.00 C ATOM 1576 NH1 ARG A 100 18.560 2.955 -3.948 1.00 0.00 N ATOM 1577 NH2 ARG A 100 17.491 1.615 -5.472 1.00 0.00 N ATOM 0 HA ARG A 100 14.062 3.910 1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.868 4.967 -0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 100 15.557 4.651 -0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 100 14.265 2.437 -1.949 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.194 3.952 -2.827 1.00 0.00 H new ATOM 0 HD2 ARG A 100 16.640 4.228 -2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 100 16.736 2.758 -1.652 1.00 0.00 H new ATOM 0 HE ARG A 100 15.495 1.980 -4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 100 18.540 3.518 -3.098 1.00 0.00 H new ATOM 0 HH12 ARG A 100 19.427 2.860 -4.476 1.00 0.00 H new ATOM 0 HH21 ARG A 100 16.647 1.144 -5.798 1.00 0.00 H new ATOM 0 HH22 ARG A 100 18.361 1.524 -5.996 1.00 0.00 H new ATOM 1591 N PRO A 101 11.743 3.272 0.378 1.00 0.00 N ATOM 1592 CA PRO A 101 10.413 2.709 0.121 1.00 0.00 C ATOM 1593 C PRO A 101 10.227 2.329 -1.343 1.00 0.00 C ATOM 1594 O PRO A 101 10.195 3.193 -2.221 1.00 0.00 O ATOM 1595 CB PRO A 101 9.453 3.842 0.510 1.00 0.00 C ATOM 1596 CG PRO A 101 10.286 5.078 0.509 1.00 0.00 C ATOM 1597 CD PRO A 101 11.667 4.644 0.905 1.00 0.00 C ATOM 0 HA PRO A 101 10.245 1.790 0.682 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.630 3.922 -0.200 1.00 0.00 H new ATOM 0 HB3 PRO A 101 9.012 3.665 1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 101 10.291 5.545 -0.476 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.892 5.815 1.209 1.00 0.00 H new ATOM 0 HD2 PRO A 101 12.433 5.287 0.471 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.804 4.670 1.986 1.00 0.00 H new ATOM 1605 N VAL A 102 10.112 1.030 -1.602 1.00 0.00 N ATOM 1606 CA VAL A 102 9.939 0.533 -2.961 1.00 0.00 C ATOM 1607 C VAL A 102 8.459 0.392 -3.324 1.00 0.00 C ATOM 1608 O VAL A 102 7.708 -0.301 -2.634 1.00 0.00 O ATOM 1609 CB VAL A 102 10.631 -0.831 -3.150 1.00 0.00 C ATOM 1610 CG1 VAL A 102 10.592 -1.254 -4.612 1.00 0.00 C ATOM 1611 CG2 VAL A 102 12.065 -0.781 -2.641 1.00 0.00 C ATOM 0 H VAL A 102 10.136 0.303 -0.887 1.00 0.00 H new ATOM 0 HA VAL A 102 10.400 1.267 -3.622 1.00 0.00 H new ATOM 0 HB VAL A 102 10.088 -1.574 -2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 102 11.086 -2.219 -4.725 1.00 0.00 H new ATOM 0 HG12 VAL A 102 9.556 -1.336 -4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.107 -0.510 -5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 102 12.536 -1.754 -2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.621 -0.024 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 102 12.066 -0.529 -1.580 1.00 0.00 H new ATOM 1621 N PRO A 103 8.018 1.048 -4.413 1.00 0.00 N ATOM 1622 CA PRO A 103 6.630 0.989 -4.863 1.00 0.00 C ATOM 1623 C PRO A 103 6.362 -0.224 -5.747 1.00 0.00 C ATOM 1624 O PRO A 103 7.245 -0.680 -6.474 1.00 0.00 O ATOM 1625 CB PRO A 103 6.487 2.278 -5.663 1.00 0.00 C ATOM 1626 CG PRO A 103 7.838 2.502 -6.256 1.00 0.00 C ATOM 1627 CD PRO A 103 8.838 1.900 -5.297 1.00 0.00 C ATOM 0 HA PRO A 103 5.924 0.895 -4.037 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.725 2.183 -6.436 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.191 3.110 -5.025 1.00 0.00 H new ATOM 0 HG2 PRO A 103 7.912 2.034 -7.237 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.028 3.566 -6.396 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.595 1.318 -5.823 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.364 2.670 -4.733 1.00 0.00 H new ATOM 1635 N LEU A 104 5.140 -0.742 -5.685 1.00 0.00 N ATOM 1636 CA LEU A 104 4.762 -1.901 -6.485 1.00 0.00 C ATOM 1637 C LEU A 104 4.488 -1.497 -7.931 1.00 0.00 C ATOM 1638 O LEU A 104 3.913 -0.441 -8.193 1.00 0.00 O ATOM 1639 CB LEU A 104 3.526 -2.578 -5.887 1.00 0.00 C ATOM 1640 CG LEU A 104 3.819 -3.791 -4.998 1.00 0.00 C ATOM 1641 CD1 LEU A 104 3.572 -3.452 -3.535 1.00 0.00 C ATOM 1642 CD2 LEU A 104 2.972 -4.981 -5.422 1.00 0.00 C ATOM 0 H LEU A 104 4.396 -0.378 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 104 5.593 -2.606 -6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.975 -1.842 -5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.873 -2.892 -6.701 1.00 0.00 H new ATOM 0 HG LEU A 104 4.869 -4.059 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.785 -4.325 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.223 -2.630 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.531 -3.158 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.194 -5.833 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.916 -4.726 -5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.198 -5.238 -6.457 1.00 0.00 H new ATOM 1654 N SER A 105 4.900 -2.347 -8.867 1.00 0.00 N ATOM 1655 CA SER A 105 4.698 -2.079 -10.285 1.00 0.00 C ATOM 1656 C SER A 105 3.255 -2.368 -10.692 1.00 0.00 C ATOM 1657 O SER A 105 2.556 -3.130 -10.026 1.00 0.00 O ATOM 1658 CB SER A 105 5.657 -2.923 -11.128 1.00 0.00 C ATOM 1659 OG SER A 105 6.024 -4.109 -10.449 1.00 0.00 O ATOM 0 H SER A 105 5.376 -3.227 -8.668 1.00 0.00 H new ATOM 0 HA SER A 105 4.903 -1.023 -10.463 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.185 -3.175 -12.078 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.550 -2.342 -11.360 1.00 0.00 H new ATOM 0 HG SER A 105 6.636 -4.631 -11.009 1.00 0.00 H new ATOM 1665 N PRO A 106 2.789 -1.760 -11.798 1.00 0.00 N ATOM 1666 CA PRO A 106 1.422 -1.958 -12.292 1.00 0.00 C ATOM 1667 C PRO A 106 1.102 -3.427 -12.539 1.00 0.00 C ATOM 1668 O PRO A 106 -0.023 -3.874 -12.318 1.00 0.00 O ATOM 1669 CB PRO A 106 1.388 -1.169 -13.609 1.00 0.00 C ATOM 1670 CG PRO A 106 2.816 -0.916 -13.958 1.00 0.00 C ATOM 1671 CD PRO A 106 3.551 -0.841 -12.653 1.00 0.00 C ATOM 0 HA PRO A 106 0.680 -1.623 -11.567 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.887 -1.736 -14.393 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.841 -0.234 -13.492 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.213 -1.715 -14.584 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.922 0.012 -14.520 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.591 -1.152 -12.756 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.560 0.172 -12.251 1.00 0.00 H new ATOM 1679 N ASP A 107 2.098 -4.176 -12.999 1.00 0.00 N ATOM 1680 CA ASP A 107 1.920 -5.597 -13.276 1.00 0.00 C ATOM 1681 C ASP A 107 1.761 -6.388 -11.982 1.00 0.00 C ATOM 1682 O ASP A 107 1.094 -7.422 -11.953 1.00 0.00 O ATOM 1683 CB ASP A 107 3.110 -6.137 -14.072 1.00 0.00 C ATOM 1684 CG ASP A 107 3.066 -5.719 -15.529 1.00 0.00 C ATOM 1685 OD1 ASP A 107 3.098 -4.500 -15.800 1.00 0.00 O ATOM 1686 OD2 ASP A 107 3.001 -6.613 -16.400 1.00 0.00 O ATOM 0 H ASP A 107 3.036 -3.823 -13.188 1.00 0.00 H new ATOM 0 HA ASP A 107 1.012 -5.714 -13.868 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.037 -5.781 -13.622 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.123 -7.225 -14.009 1.00 0.00 H new ATOM 1691 N GLU A 108 2.376 -5.895 -10.911 1.00 0.00 N ATOM 1692 CA GLU A 108 2.300 -6.555 -9.614 1.00 0.00 C ATOM 1693 C GLU A 108 1.069 -6.097 -8.841 1.00 0.00 C ATOM 1694 O GLU A 108 0.440 -6.883 -8.133 1.00 0.00 O ATOM 1695 CB GLU A 108 3.565 -6.270 -8.801 1.00 0.00 C ATOM 1696 CG GLU A 108 4.829 -6.840 -9.420 1.00 0.00 C ATOM 1697 CD GLU A 108 5.946 -7.014 -8.409 1.00 0.00 C ATOM 1698 OE1 GLU A 108 6.709 -6.049 -8.195 1.00 0.00 O ATOM 1699 OE2 GLU A 108 6.058 -8.116 -7.833 1.00 0.00 O ATOM 0 H GLU A 108 2.933 -5.040 -10.917 1.00 0.00 H new ATOM 0 HA GLU A 108 2.219 -7.629 -9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.680 -5.192 -8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.443 -6.683 -7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.603 -7.804 -9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 108 5.167 -6.181 -10.219 1.00 0.00 H new ATOM 1706 N VAL A 109 0.728 -4.819 -8.981 1.00 0.00 N ATOM 1707 CA VAL A 109 -0.429 -4.256 -8.297 1.00 0.00 C ATOM 1708 C VAL A 109 -1.712 -4.961 -8.720 1.00 0.00 C ATOM 1709 O VAL A 109 -2.486 -5.418 -7.879 1.00 0.00 O ATOM 1710 CB VAL A 109 -0.568 -2.747 -8.576 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -1.705 -2.150 -7.759 1.00 0.00 C ATOM 1712 CG2 VAL A 109 0.742 -2.026 -8.285 1.00 0.00 C ATOM 0 H VAL A 109 1.238 -4.154 -9.563 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.270 -4.406 -7.229 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.804 -2.615 -9.632 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.785 -1.084 -7.972 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.640 -2.644 -8.022 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.505 -2.294 -6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.624 -0.962 -8.488 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.011 -2.168 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.529 -2.432 -8.920 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.932 -5.049 -10.027 1.00 0.00 N ATOM 1723 CA ARG A 110 -3.124 -5.700 -10.557 1.00 0.00 C ATOM 1724 C ARG A 110 -3.236 -7.131 -10.042 1.00 0.00 C ATOM 1725 O ARG A 110 -4.338 -7.662 -9.889 1.00 0.00 O ATOM 1726 CB ARG A 110 -3.096 -5.694 -12.088 1.00 0.00 C ATOM 1727 CG ARG A 110 -4.433 -5.344 -12.719 1.00 0.00 C ATOM 1728 CD ARG A 110 -4.562 -5.930 -14.116 1.00 0.00 C ATOM 1729 NE ARG A 110 -4.427 -4.910 -15.153 1.00 0.00 N ATOM 1730 CZ ARG A 110 -5.394 -4.056 -15.484 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -6.565 -4.097 -14.860 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -5.190 -3.161 -16.439 1.00 0.00 N ATOM 0 H ARG A 110 -1.302 -4.678 -10.738 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.996 -5.142 -10.216 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.346 -4.980 -12.427 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.783 -6.676 -12.441 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -5.242 -5.718 -12.091 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.541 -4.260 -12.767 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.800 -6.696 -14.260 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.530 -6.421 -14.215 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.540 -4.848 -15.653 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -6.727 -4.784 -14.124 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -7.303 -3.441 -15.117 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -4.292 -3.126 -16.921 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.931 -2.507 -16.692 1.00 0.00 H new ATOM 1746 N HIS A 111 -2.092 -7.748 -9.769 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.066 -9.116 -9.265 1.00 0.00 C ATOM 1748 C HIS A 111 -2.536 -9.162 -7.817 1.00 0.00 C ATOM 1749 O HIS A 111 -3.455 -9.907 -7.476 1.00 0.00 O ATOM 1750 CB HIS A 111 -0.656 -9.700 -9.382 1.00 0.00 C ATOM 1751 CG HIS A 111 -0.561 -10.847 -10.339 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -0.865 -10.737 -11.680 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -0.190 -12.136 -10.145 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -0.687 -11.907 -12.268 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -0.279 -12.772 -11.359 1.00 0.00 N ATOM 0 H HIS A 111 -1.172 -7.324 -9.888 1.00 0.00 H new ATOM 0 HA HIS A 111 -2.745 -9.717 -9.869 1.00 0.00 H new ATOM 0 HB2 HIS A 111 0.029 -8.914 -9.701 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -0.326 -10.031 -8.397 1.00 0.00 H new ATOM 0 HD2 HIS A 111 0.118 -12.580 -9.210 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -0.848 -12.119 -13.315 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -0.064 -13.754 -11.530 1.00 0.00 H new ATOM 1764 N ILE A 112 -1.907 -8.355 -6.968 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.275 -8.305 -5.560 1.00 0.00 C ATOM 1766 C ILE A 112 -3.682 -7.738 -5.389 1.00 0.00 C ATOM 1767 O ILE A 112 -4.362 -8.024 -4.403 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.275 -7.464 -4.739 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -1.327 -5.993 -5.163 1.00 0.00 C ATOM 1770 CG2 ILE A 112 0.135 -8.021 -4.892 1.00 0.00 C ATOM 1771 CD1 ILE A 112 -0.316 -5.118 -4.453 1.00 0.00 C ATOM 0 H ILE A 112 -1.144 -7.730 -7.230 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.251 -9.328 -5.185 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.556 -7.522 -3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -1.159 -5.928 -6.238 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.327 -5.605 -4.973 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.830 -7.418 -4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.160 -9.051 -4.536 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.425 -7.993 -5.942 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.413 -4.091 -4.805 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.496 -5.152 -3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.690 -5.480 -4.664 1.00 0.00 H new ATOM 1783 N LEU A 113 -4.116 -6.940 -6.363 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.444 -6.344 -6.327 1.00 0.00 C ATOM 1785 C LEU A 113 -6.512 -7.404 -6.579 1.00 0.00 C ATOM 1786 O LEU A 113 -7.578 -7.385 -5.966 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.555 -5.231 -7.373 1.00 0.00 C ATOM 1788 CG LEU A 113 -5.651 -3.816 -6.804 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.359 -3.432 -6.100 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -5.976 -2.819 -7.907 1.00 0.00 C ATOM 0 H LEU A 113 -3.565 -6.693 -7.185 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.602 -5.916 -5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.687 -5.284 -8.031 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.434 -5.419 -7.989 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.458 -3.795 -6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.448 -2.421 -5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.169 -4.128 -5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -3.533 -3.471 -6.810 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.041 -1.817 -7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.191 -2.844 -8.663 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.929 -3.081 -8.365 1.00 0.00 H new ATOM 1802 N GLU A 114 -6.210 -8.332 -7.482 1.00 0.00 N ATOM 1803 CA GLU A 114 -7.141 -9.406 -7.813 1.00 0.00 C ATOM 1804 C GLU A 114 -7.323 -10.346 -6.627 1.00 0.00 C ATOM 1805 O GLU A 114 -8.387 -10.938 -6.448 1.00 0.00 O ATOM 1806 CB GLU A 114 -6.640 -10.185 -9.032 1.00 0.00 C ATOM 1807 CG GLU A 114 -7.680 -10.326 -10.131 1.00 0.00 C ATOM 1808 CD GLU A 114 -7.072 -10.261 -11.520 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -6.018 -9.610 -11.676 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -7.649 -10.864 -12.449 1.00 0.00 O ATOM 0 H GLU A 114 -5.330 -8.362 -7.997 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.107 -8.961 -8.051 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -5.761 -9.684 -9.437 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.323 -11.178 -8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.204 -11.274 -10.011 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.424 -9.536 -10.026 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.276 -10.477 -5.819 1.00 0.00 N ATOM 1818 CA VAL A 115 -6.319 -11.344 -4.647 1.00 0.00 C ATOM 1819 C VAL A 115 -6.958 -10.630 -3.461 1.00 0.00 C ATOM 1820 O VAL A 115 -7.736 -11.221 -2.714 1.00 0.00 O ATOM 1821 CB VAL A 115 -4.910 -11.817 -4.246 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -4.990 -12.865 -3.148 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -4.163 -12.359 -5.456 1.00 0.00 C ATOM 0 H VAL A 115 -5.388 -9.994 -5.954 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.922 -12.211 -4.916 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.357 -10.961 -3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.984 -13.187 -2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.481 -12.439 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.562 -13.722 -3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.169 -12.688 -5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.712 -13.202 -5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.072 -11.575 -6.208 1.00 0.00 H new ATOM 1833 N SER A 116 -6.621 -9.355 -3.295 1.00 0.00 N ATOM 1834 CA SER A 116 -7.160 -8.558 -2.200 1.00 0.00 C ATOM 1835 C SER A 116 -8.684 -8.502 -2.266 1.00 0.00 C ATOM 1836 O SER A 116 -9.371 -8.962 -1.354 1.00 0.00 O ATOM 1837 CB SER A 116 -6.585 -7.141 -2.242 1.00 0.00 C ATOM 1838 OG SER A 116 -5.386 -7.055 -1.493 1.00 0.00 O ATOM 0 H SER A 116 -5.977 -8.852 -3.905 1.00 0.00 H new ATOM 0 HA SER A 116 -6.872 -9.033 -1.262 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.393 -6.854 -3.276 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.316 -6.437 -1.846 1.00 0.00 H new ATOM 0 HG SER A 116 -5.501 -7.517 -0.637 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.204 -7.937 -3.350 1.00 0.00 N ATOM 1845 CA GLY A 117 -10.642 -7.834 -3.513 1.00 0.00 C ATOM 1846 C GLY A 117 -11.057 -6.556 -4.217 1.00 0.00 C ATOM 1847 O GLY A 117 -11.959 -5.854 -3.760 1.00 0.00 O ATOM 0 H GLY A 117 -8.656 -7.549 -4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.002 -8.691 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.119 -7.877 -2.534 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.400 -6.255 -5.332 1.00 0.00 N ATOM 1852 CA LEU A 118 -10.709 -5.055 -6.101 1.00 0.00 C ATOM 1853 C LEU A 118 -11.047 -5.404 -7.545 1.00 0.00 C ATOM 1854 O LEU A 118 -12.019 -4.897 -8.107 1.00 0.00 O ATOM 1855 CB LEU A 118 -9.531 -4.077 -6.062 1.00 0.00 C ATOM 1856 CG LEU A 118 -9.081 -3.652 -4.660 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -8.099 -2.490 -4.745 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -10.282 -3.274 -3.803 1.00 0.00 C ATOM 0 H LEU A 118 -9.650 -6.825 -5.723 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.580 -4.581 -5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.684 -4.533 -6.575 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -9.802 -3.184 -6.625 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.577 -4.497 -4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.790 -2.201 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.225 -2.794 -5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.579 -1.643 -5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.942 -2.975 -2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.815 -2.445 -4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.950 -4.131 -3.714 1.00 0.00 H new ATOM 1870 N LEU A 119 -10.241 -6.276 -8.142 1.00 0.00 N ATOM 1871 CA LEU A 119 -10.457 -6.694 -9.522 1.00 0.00 C ATOM 1872 C LEU A 119 -11.184 -8.036 -9.576 1.00 0.00 C ATOM 1873 O LEU A 119 -11.001 -8.815 -10.510 1.00 0.00 O ATOM 1874 CB LEU A 119 -9.119 -6.789 -10.263 1.00 0.00 C ATOM 1875 CG LEU A 119 -8.912 -5.739 -11.357 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -8.136 -4.549 -10.816 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -8.190 -6.348 -12.551 1.00 0.00 C ATOM 0 H LEU A 119 -9.433 -6.706 -7.692 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.081 -5.946 -10.011 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.311 -6.700 -9.537 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.038 -7.780 -10.710 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.890 -5.390 -11.687 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.999 -3.813 -11.609 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.690 -4.097 -9.993 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.162 -4.882 -10.458 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.051 -5.587 -13.319 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.218 -6.725 -12.234 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.783 -7.168 -12.955 1.00 0.00 H new ATOM 1889 N GLY A 120 -12.009 -8.298 -8.567 1.00 0.00 N ATOM 1890 CA GLY A 120 -12.750 -9.545 -8.520 1.00 0.00 C ATOM 1891 C GLY A 120 -12.559 -10.282 -7.207 1.00 0.00 C ATOM 1892 O GLY A 120 -13.560 -10.794 -6.665 1.00 0.00 O ATOM 1893 OXT GLY A 120 -11.410 -10.347 -6.725 1.00 0.00 O ATOM 0 H GLY A 120 -12.177 -7.669 -7.782 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -13.810 -9.340 -8.668 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -12.431 -10.185 -9.343 1.00 0.00 H new