USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 532 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 23 ASN : amide:sc= -4.21! C(o=-5.5!,f=-20!) USER MOD Set 1.2: A 24 GLN :FLIP amide:sc= -1.28! F(o=-7.9,f=-5.5!) USER MOD Single : A 10 HIS :FLIP no HE2:sc= -3.32 F(o=-4,f=-3.3) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 120:sc= -2.1 USER MOD Single : A 34 GLN : amide:sc=-0.000546 K(o=-0.00055,f=-0.61) USER MOD Single : A 39 ASN : amide:sc= -1.67 K(o=-1.7,f=-5.5!) USER MOD Single : A 40 MET CE :methyl -103:sc= -3.88! (180deg=-11!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 150:sc= -0.0409 USER MOD Single : A 47 THR OG1 : rot -155:sc= -1.11 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 60:sc= -0.447! USER MOD Single : A 59 MET CE :methyl -129:sc= -1.5! (180deg=-4.88!) USER MOD Single : A 60 ASN : amide:sc= -0.305 K(o=-0.31,f=-2!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -3.688 -1.194 -6.681 1.00 0.00 N ATOM 60 CA GLY A 7 -2.652 -0.414 -7.337 1.00 0.00 C ATOM 61 C GLY A 7 -1.488 -0.136 -6.385 1.00 0.00 C ATOM 62 O GLY A 7 -1.126 1.018 -6.160 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.289 -0.950 -8.214 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.070 0.529 -7.690 1.00 0.00 H new ATOM 66 N LEU A 8 -0.933 -1.214 -5.850 1.00 0.00 N ATOM 67 CA LEU A 8 0.184 -1.101 -4.927 1.00 0.00 C ATOM 68 C LEU A 8 1.303 -2.046 -5.369 1.00 0.00 C ATOM 69 O LEU A 8 2.461 -1.641 -5.461 1.00 0.00 O ATOM 70 CB LEU A 8 -0.285 -1.333 -3.489 1.00 0.00 C ATOM 71 CG LEU A 8 -0.808 -0.101 -2.747 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.126 0.386 -3.353 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.934 -0.376 -1.247 1.00 0.00 C ATOM 0 H LEU A 8 -1.236 -2.170 -6.038 1.00 0.00 H new ATOM 0 HA LEU A 8 0.594 -0.091 -4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.073 -2.086 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.546 -1.750 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.082 0.703 -2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.476 1.262 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.970 0.649 -4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.872 -0.406 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.308 0.516 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.627 -1.201 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.043 -0.639 -0.842 1.00 0.00 H new ATOM 85 N ASP A 9 0.918 -3.286 -5.630 1.00 0.00 N ATOM 86 CA ASP A 9 1.875 -4.292 -6.060 1.00 0.00 C ATOM 87 C ASP A 9 2.738 -3.720 -7.186 1.00 0.00 C ATOM 88 O ASP A 9 3.879 -4.140 -7.374 1.00 0.00 O ATOM 89 CB ASP A 9 1.163 -5.536 -6.595 1.00 0.00 C ATOM 90 CG ASP A 9 -0.087 -5.256 -7.432 1.00 0.00 C ATOM 91 OD1 ASP A 9 -1.090 -4.823 -6.825 1.00 0.00 O ATOM 92 OD2 ASP A 9 -0.011 -5.482 -8.659 1.00 0.00 O ATOM 0 H ASP A 9 -0.043 -3.618 -5.552 1.00 0.00 H new ATOM 0 HA ASP A 9 2.485 -4.568 -5.199 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.867 -6.107 -7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.883 -6.167 -5.751 1.00 0.00 H new ATOM 97 N HIS A 10 2.161 -2.769 -7.906 1.00 0.00 N ATOM 98 CA HIS A 10 2.863 -2.135 -9.009 1.00 0.00 C ATOM 99 C HIS A 10 3.667 -0.942 -8.488 1.00 0.00 C ATOM 100 O HIS A 10 4.743 -0.641 -9.002 1.00 0.00 O ATOM 101 CB HIS A 10 1.889 -1.751 -10.125 1.00 0.00 C ATOM 102 CG HIS A 10 1.143 -0.462 -9.872 1.00 0.00 C ATOM 103 ND1 HIS A 10 1.293 0.777 -10.421 1.00 0.00 N flip ATOM 104 CD2 HIS A 10 0.108 -0.362 -8.958 1.00 0.00 C flip ATOM 105 CE1 HIS A 10 0.397 1.590 -9.874 1.00 0.00 C flip ATOM 106 NE2 HIS A 10 -0.338 0.886 -8.966 1.00 0.00 N flip ATOM 0 H HIS A 10 1.215 -2.422 -7.747 1.00 0.00 H new ATOM 0 HA HIS A 10 3.568 -2.840 -9.449 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.441 -1.662 -11.061 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.167 -2.557 -10.257 1.00 0.00 H new ATOM 0 HD1 HIS A 10 1.978 1.036 -11.132 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.271 -1.165 -8.343 1.00 0.00 H new ATOM 0 HE1 HIS A 10 0.271 2.636 -10.109 1.00 0.00 H new ATOM 114 N ILE A 11 3.114 -0.295 -7.472 1.00 0.00 N ATOM 115 CA ILE A 11 3.767 0.858 -6.875 1.00 0.00 C ATOM 116 C ILE A 11 5.178 0.467 -6.432 1.00 0.00 C ATOM 117 O ILE A 11 5.445 -0.701 -6.156 1.00 0.00 O ATOM 118 CB ILE A 11 2.907 1.436 -5.749 1.00 0.00 C ATOM 119 CG1 ILE A 11 1.670 2.140 -6.310 1.00 0.00 C ATOM 120 CG2 ILE A 11 3.732 2.357 -4.848 1.00 0.00 C ATOM 121 CD1 ILE A 11 0.985 2.985 -5.234 1.00 0.00 C ATOM 0 H ILE A 11 2.222 -0.547 -7.047 1.00 0.00 H new ATOM 0 HA ILE A 11 3.873 1.658 -7.608 1.00 0.00 H new ATOM 0 HB ILE A 11 2.554 0.611 -5.130 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.957 2.775 -7.148 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.970 1.400 -6.697 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.098 2.755 -4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.554 1.793 -4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.133 3.180 -5.439 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.109 3.475 -5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.677 2.343 -4.408 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.680 3.740 -4.867 1.00 0.00 H new ATOM 133 N THR A 12 6.045 1.468 -6.379 1.00 0.00 N ATOM 134 CA THR A 12 7.423 1.243 -5.975 1.00 0.00 C ATOM 135 C THR A 12 7.703 1.925 -4.634 1.00 0.00 C ATOM 136 O THR A 12 7.182 3.005 -4.362 1.00 0.00 O ATOM 137 CB THR A 12 8.332 1.730 -7.105 1.00 0.00 C ATOM 138 OG1 THR A 12 7.647 1.342 -8.293 1.00 0.00 O ATOM 139 CG2 THR A 12 9.652 0.958 -7.167 1.00 0.00 C ATOM 0 H THR A 12 5.820 2.436 -6.609 1.00 0.00 H new ATOM 0 HA THR A 12 7.620 0.183 -5.813 1.00 0.00 H new ATOM 0 HB THR A 12 8.538 2.792 -6.974 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.166 1.621 -9.076 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.260 1.342 -7.986 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.190 1.081 -6.227 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.447 -0.100 -7.333 1.00 0.00 H new ATOM 147 N VAL A 13 8.525 1.265 -3.832 1.00 0.00 N ATOM 148 CA VAL A 13 8.880 1.793 -2.526 1.00 0.00 C ATOM 149 C VAL A 13 10.390 2.035 -2.472 1.00 0.00 C ATOM 150 O VAL A 13 11.174 1.180 -2.878 1.00 0.00 O ATOM 151 CB VAL A 13 8.387 0.849 -1.427 1.00 0.00 C ATOM 152 CG1 VAL A 13 8.778 1.368 -0.042 1.00 0.00 C ATOM 153 CG2 VAL A 13 6.875 0.636 -1.526 1.00 0.00 C ATOM 0 H VAL A 13 8.955 0.369 -4.061 1.00 0.00 H new ATOM 0 HA VAL A 13 8.390 2.752 -2.356 1.00 0.00 H new ATOM 0 HB VAL A 13 8.872 -0.116 -1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.416 0.679 0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.863 1.445 0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.334 2.351 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.550 -0.039 -0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.365 1.593 -1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.632 0.201 -2.495 1.00 0.00 H new ATOM 163 N VAL A 14 10.752 3.205 -1.967 1.00 0.00 N ATOM 164 CA VAL A 14 12.153 3.571 -1.854 1.00 0.00 C ATOM 165 C VAL A 14 12.743 2.935 -0.594 1.00 0.00 C ATOM 166 O VAL A 14 12.242 3.154 0.508 1.00 0.00 O ATOM 167 CB VAL A 14 12.301 5.094 -1.881 1.00 0.00 C ATOM 168 CG1 VAL A 14 13.666 5.522 -1.339 1.00 0.00 C ATOM 169 CG2 VAL A 14 12.074 5.642 -3.291 1.00 0.00 C ATOM 0 H VAL A 14 10.098 3.912 -1.631 1.00 0.00 H new ATOM 0 HA VAL A 14 12.717 3.188 -2.705 1.00 0.00 H new ATOM 0 HB VAL A 14 11.535 5.517 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.745 6.609 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.773 5.179 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.454 5.084 -1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.185 6.726 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.806 5.208 -3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.069 5.383 -3.625 1.00 0.00 H new ATOM 179 N THR A 15 13.798 2.161 -0.798 1.00 0.00 N ATOM 180 CA THR A 15 14.461 1.491 0.308 1.00 0.00 C ATOM 181 C THR A 15 15.939 1.880 0.358 1.00 0.00 C ATOM 182 O THR A 15 16.404 2.675 -0.458 1.00 0.00 O ATOM 183 CB THR A 15 14.233 -0.014 0.156 1.00 0.00 C ATOM 184 OG1 THR A 15 14.971 -0.360 -1.013 1.00 0.00 O ATOM 185 CG2 THR A 15 12.785 -0.353 -0.205 1.00 0.00 C ATOM 0 H THR A 15 14.211 1.982 -1.714 1.00 0.00 H new ATOM 0 HA THR A 15 14.043 1.801 1.266 1.00 0.00 H new ATOM 0 HB THR A 15 14.504 -0.518 1.084 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.880 -1.320 -1.185 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.677 -1.433 -0.301 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.120 0.010 0.579 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.525 0.123 -1.150 1.00 0.00 H new ATOM 193 N ALA A 16 16.638 1.301 1.323 1.00 0.00 N ATOM 194 CA ALA A 16 18.055 1.577 1.490 1.00 0.00 C ATOM 195 C ALA A 16 18.801 1.180 0.215 1.00 0.00 C ATOM 196 O ALA A 16 19.545 1.982 -0.349 1.00 0.00 O ATOM 197 CB ALA A 16 18.577 0.839 2.724 1.00 0.00 C ATOM 0 H ALA A 16 16.250 0.642 1.997 1.00 0.00 H new ATOM 0 HA ALA A 16 18.222 2.642 1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 16 19.640 1.046 2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.035 1.178 3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.429 -0.233 2.596 1.00 0.00 H new ATOM 203 N ASP A 17 18.577 -0.057 -0.203 1.00 0.00 N ATOM 204 CA ASP A 17 19.218 -0.570 -1.402 1.00 0.00 C ATOM 205 C ASP A 17 18.977 0.401 -2.560 1.00 0.00 C ATOM 206 O ASP A 17 19.923 0.861 -3.196 1.00 0.00 O ATOM 207 CB ASP A 17 18.640 -1.930 -1.797 1.00 0.00 C ATOM 208 CG ASP A 17 19.675 -3.037 -2.007 1.00 0.00 C ATOM 209 OD1 ASP A 17 20.870 -2.746 -1.783 1.00 0.00 O ATOM 210 OD2 ASP A 17 19.249 -4.149 -2.386 1.00 0.00 O ATOM 0 H ASP A 17 17.960 -0.719 0.267 1.00 0.00 H new ATOM 0 HA ASP A 17 20.283 -0.677 -1.195 1.00 0.00 H new ATOM 0 HB2 ASP A 17 17.941 -2.249 -1.024 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.066 -1.811 -2.716 1.00 0.00 H new ATOM 215 N GLY A 18 17.704 0.683 -2.798 1.00 0.00 N ATOM 216 CA GLY A 18 17.327 1.591 -3.868 1.00 0.00 C ATOM 217 C GLY A 18 15.805 1.673 -4.005 1.00 0.00 C ATOM 218 O GLY A 18 15.134 2.272 -3.166 1.00 0.00 O ATOM 0 H GLY A 18 16.921 0.299 -2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 18 17.732 2.583 -3.668 1.00 0.00 H new ATOM 0 HA3 GLY A 18 17.763 1.252 -4.808 1.00 0.00 H new ATOM 222 N LYS A 19 15.305 1.063 -5.070 1.00 0.00 N ATOM 223 CA LYS A 19 13.875 1.060 -5.328 1.00 0.00 C ATOM 224 C LYS A 19 13.405 -0.379 -5.549 1.00 0.00 C ATOM 225 O LYS A 19 14.101 -1.174 -6.179 1.00 0.00 O ATOM 226 CB LYS A 19 13.538 2.002 -6.486 1.00 0.00 C ATOM 227 CG LYS A 19 12.575 3.102 -6.034 1.00 0.00 C ATOM 228 CD LYS A 19 11.718 3.594 -7.202 1.00 0.00 C ATOM 229 CE LYS A 19 12.499 4.575 -8.080 1.00 0.00 C ATOM 230 NZ LYS A 19 11.765 5.854 -8.207 1.00 0.00 N ATOM 0 H LYS A 19 15.865 0.568 -5.764 1.00 0.00 H new ATOM 0 HA LYS A 19 13.331 1.445 -4.466 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.453 2.451 -6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.091 1.435 -7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.931 2.723 -5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.140 3.935 -5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.392 2.744 -7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.819 4.078 -6.820 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.483 4.755 -7.648 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.659 4.141 -9.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.308 6.508 -8.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.836 5.679 -8.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.634 6.274 -7.265 1.00 0.00 H new ATOM 244 N VAL A 20 12.226 -0.670 -5.020 1.00 0.00 N ATOM 245 CA VAL A 20 11.654 -2.000 -5.151 1.00 0.00 C ATOM 246 C VAL A 20 10.129 -1.890 -5.222 1.00 0.00 C ATOM 247 O VAL A 20 9.567 -0.827 -4.960 1.00 0.00 O ATOM 248 CB VAL A 20 12.136 -2.893 -4.006 1.00 0.00 C ATOM 249 CG1 VAL A 20 13.665 -2.942 -3.956 1.00 0.00 C ATOM 250 CG2 VAL A 20 11.559 -2.428 -2.668 1.00 0.00 C ATOM 0 H VAL A 20 11.651 -0.008 -4.500 1.00 0.00 H new ATOM 0 HA VAL A 20 11.990 -2.470 -6.075 1.00 0.00 H new ATOM 0 HB VAL A 20 11.774 -3.904 -4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.982 -3.583 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.047 -3.341 -4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.056 -1.936 -3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.917 -3.080 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.877 -1.404 -2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.470 -2.468 -2.708 1.00 0.00 H new ATOM 260 N ALA A 21 9.504 -3.002 -5.577 1.00 0.00 N ATOM 261 CA ALA A 21 8.055 -3.044 -5.685 1.00 0.00 C ATOM 262 C ALA A 21 7.453 -3.336 -4.309 1.00 0.00 C ATOM 263 O ALA A 21 8.100 -3.952 -3.463 1.00 0.00 O ATOM 264 CB ALA A 21 7.651 -4.085 -6.731 1.00 0.00 C ATOM 0 H ALA A 21 9.974 -3.881 -5.794 1.00 0.00 H new ATOM 0 HA ALA A 21 7.667 -2.081 -6.017 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.564 -4.117 -6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.079 -3.816 -7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.021 -5.065 -6.431 1.00 0.00 H new ATOM 270 N LEU A 22 6.223 -2.879 -4.127 1.00 0.00 N ATOM 271 CA LEU A 22 5.527 -3.083 -2.869 1.00 0.00 C ATOM 272 C LEU A 22 5.311 -4.582 -2.647 1.00 0.00 C ATOM 273 O LEU A 22 4.981 -5.008 -1.542 1.00 0.00 O ATOM 274 CB LEU A 22 4.235 -2.264 -2.831 1.00 0.00 C ATOM 275 CG LEU A 22 4.035 -1.383 -1.596 1.00 0.00 C ATOM 276 CD1 LEU A 22 2.616 -0.815 -1.552 1.00 0.00 C ATOM 277 CD2 LEU A 22 4.387 -2.145 -0.317 1.00 0.00 C ATOM 0 H LEU A 22 5.690 -2.368 -4.831 1.00 0.00 H new ATOM 0 HA LEU A 22 6.131 -2.721 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.206 -1.628 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.391 -2.950 -2.904 1.00 0.00 H new ATOM 0 HG LEU A 22 4.718 -0.537 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.501 -0.193 -0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.437 -0.213 -2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.897 -1.634 -1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.236 -1.496 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.746 -3.022 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.430 -2.460 -0.356 1.00 0.00 H new ATOM 289 N ASN A 23 5.505 -5.339 -3.717 1.00 0.00 N ATOM 290 CA ASN A 23 5.336 -6.781 -3.653 1.00 0.00 C ATOM 291 C ASN A 23 6.706 -7.445 -3.509 1.00 0.00 C ATOM 292 O ASN A 23 6.903 -8.575 -3.953 1.00 0.00 O ATOM 293 CB ASN A 23 4.684 -7.316 -4.930 1.00 0.00 C ATOM 294 CG ASN A 23 5.510 -6.945 -6.164 1.00 0.00 C ATOM 295 OD1 ASN A 23 6.691 -6.652 -6.087 1.00 0.00 O ATOM 296 ND2 ASN A 23 4.823 -6.974 -7.303 1.00 0.00 N ATOM 0 H ASN A 23 5.777 -4.981 -4.633 1.00 0.00 H new ATOM 0 HA ASN A 23 4.698 -7.008 -2.799 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.586 -8.400 -4.866 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.677 -6.910 -5.026 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.284 -6.742 -8.183 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.835 -7.228 -7.296 1.00 0.00 H new ATOM 303 N GLN A 24 7.619 -6.716 -2.885 1.00 0.00 N ATOM 304 CA GLN A 24 8.966 -7.220 -2.675 1.00 0.00 C ATOM 305 C GLN A 24 9.342 -7.130 -1.195 1.00 0.00 C ATOM 306 O GLN A 24 9.735 -8.126 -0.589 1.00 0.00 O ATOM 307 CB GLN A 24 9.975 -6.467 -3.544 1.00 0.00 C ATOM 308 CG GLN A 24 9.513 -6.415 -5.002 1.00 0.00 C ATOM 309 CD GLN A 24 9.468 -7.818 -5.613 1.00 0.00 C ATOM 310 OE1 GLN A 24 10.634 -8.457 -5.585 1.00 0.00 O flip ATOM 311 NE2 GLN A 24 8.443 -8.288 -6.078 1.00 0.00 N flip ATOM 0 H GLN A 24 7.453 -5.779 -2.517 1.00 0.00 H new ATOM 0 HA GLN A 24 8.991 -8.268 -2.973 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.103 -5.454 -3.163 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.948 -6.956 -3.484 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.525 -5.958 -5.058 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.189 -5.784 -5.579 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.581 -7.743 -6.067 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.448 -9.227 -6.477 1.00 0.00 H new ATOM 320 N ILE A 25 9.210 -5.927 -0.656 1.00 0.00 N ATOM 321 CA ILE A 25 9.531 -5.695 0.742 1.00 0.00 C ATOM 322 C ILE A 25 8.453 -6.331 1.622 1.00 0.00 C ATOM 323 O ILE A 25 8.762 -6.957 2.634 1.00 0.00 O ATOM 324 CB ILE A 25 9.735 -4.201 1.003 1.00 0.00 C ATOM 325 CG1 ILE A 25 8.410 -3.441 0.908 1.00 0.00 C ATOM 326 CG2 ILE A 25 10.797 -3.621 0.067 1.00 0.00 C ATOM 327 CD1 ILE A 25 8.609 -1.953 1.200 1.00 0.00 C ATOM 0 H ILE A 25 8.885 -5.103 -1.162 1.00 0.00 H new ATOM 0 HA ILE A 25 10.476 -6.173 1.000 1.00 0.00 H new ATOM 0 HB ILE A 25 10.103 -4.080 2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.986 -3.566 -0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.694 -3.861 1.614 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.923 -2.558 0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.744 -4.136 0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.482 -3.755 -0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.652 -1.436 1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.011 -1.830 2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.306 -1.530 0.477 1.00 0.00 H new ATOM 339 N GLY A 26 7.209 -6.148 1.203 1.00 0.00 N ATOM 340 CA GLY A 26 6.083 -6.697 1.940 1.00 0.00 C ATOM 341 C GLY A 26 5.163 -7.500 1.019 1.00 0.00 C ATOM 342 O GLY A 26 5.124 -7.260 -0.187 1.00 0.00 O ATOM 0 H GLY A 26 6.956 -5.628 0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.447 -7.337 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.520 -5.888 2.407 1.00 0.00 H new ATOM 346 N GLN A 27 4.446 -8.437 1.622 1.00 0.00 N ATOM 347 CA GLN A 27 3.529 -9.277 0.870 1.00 0.00 C ATOM 348 C GLN A 27 2.131 -8.655 0.855 1.00 0.00 C ATOM 349 O GLN A 27 1.486 -8.545 1.896 1.00 0.00 O ATOM 350 CB GLN A 27 3.492 -10.696 1.441 1.00 0.00 C ATOM 351 CG GLN A 27 3.995 -11.713 0.415 1.00 0.00 C ATOM 352 CD GLN A 27 3.116 -12.966 0.409 1.00 0.00 C ATOM 353 OE1 GLN A 27 2.242 -13.138 -0.425 1.00 0.00 O ATOM 354 NE2 GLN A 27 3.396 -13.828 1.382 1.00 0.00 N ATOM 0 H GLN A 27 4.481 -8.633 2.622 1.00 0.00 H new ATOM 0 HA GLN A 27 3.887 -9.344 -0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.107 -10.746 2.340 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.473 -10.946 1.737 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.999 -11.262 -0.577 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.025 -11.988 0.644 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.141 -13.622 2.047 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.866 -14.695 1.463 1.00 0.00 H new ATOM 363 N ILE A 28 1.705 -8.266 -0.338 1.00 0.00 N ATOM 364 CA ILE A 28 0.395 -7.658 -0.502 1.00 0.00 C ATOM 365 C ILE A 28 -0.673 -8.753 -0.514 1.00 0.00 C ATOM 366 O ILE A 28 -0.731 -9.559 -1.442 1.00 0.00 O ATOM 367 CB ILE A 28 0.372 -6.763 -1.743 1.00 0.00 C ATOM 368 CG1 ILE A 28 1.364 -5.607 -1.605 1.00 0.00 C ATOM 369 CG2 ILE A 28 -1.046 -6.270 -2.037 1.00 0.00 C ATOM 370 CD1 ILE A 28 2.054 -5.314 -2.939 1.00 0.00 C ATOM 0 H ILE A 28 2.243 -8.360 -1.199 1.00 0.00 H new ATOM 0 HA ILE A 28 0.171 -7.003 0.340 1.00 0.00 H new ATOM 0 HB ILE A 28 0.690 -7.358 -2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.842 -4.715 -1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.112 -5.853 -0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.034 -5.636 -2.924 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.700 -7.125 -2.211 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.416 -5.697 -1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.754 -4.488 -2.813 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.595 -6.200 -3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.306 -5.045 -3.684 1.00 0.00 H new ATOM 382 N SER A 29 -1.491 -8.749 0.529 1.00 0.00 N ATOM 383 CA SER A 29 -2.553 -9.732 0.650 1.00 0.00 C ATOM 384 C SER A 29 -3.895 -9.029 0.867 1.00 0.00 C ATOM 385 O SER A 29 -4.190 -8.575 1.972 1.00 0.00 O ATOM 386 CB SER A 29 -2.274 -10.706 1.796 1.00 0.00 C ATOM 387 OG SER A 29 -3.225 -11.766 1.840 1.00 0.00 O ATOM 0 H SER A 29 -1.439 -8.080 1.297 1.00 0.00 H new ATOM 0 HA SER A 29 -2.595 -10.305 -0.276 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.273 -11.122 1.683 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.289 -10.166 2.743 1.00 0.00 H new ATOM 0 HG SER A 29 -3.011 -12.367 2.584 1.00 0.00 H new ATOM 393 N MET A 30 -4.671 -8.960 -0.204 1.00 0.00 N ATOM 394 CA MET A 30 -5.974 -8.320 -0.145 1.00 0.00 C ATOM 395 C MET A 30 -6.934 -9.112 0.745 1.00 0.00 C ATOM 396 O MET A 30 -7.693 -9.948 0.255 1.00 0.00 O ATOM 397 CB MET A 30 -6.555 -8.213 -1.556 1.00 0.00 C ATOM 398 CG MET A 30 -6.898 -6.762 -1.899 1.00 0.00 C ATOM 399 SD MET A 30 -8.398 -6.702 -2.866 1.00 0.00 S ATOM 400 CE MET A 30 -9.013 -5.097 -2.384 1.00 0.00 C ATOM 0 H MET A 30 -4.422 -9.337 -1.119 1.00 0.00 H new ATOM 0 HA MET A 30 -5.850 -7.325 0.282 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.838 -8.602 -2.279 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.450 -8.830 -1.632 1.00 0.00 H new ATOM 0 HG2 MET A 30 -7.022 -6.183 -0.984 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.078 -6.308 -2.455 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.952 -4.897 -2.900 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.179 -5.080 -1.307 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.283 -4.333 -2.651 1.00 0.00 H new ATOM 410 N LYS A 31 -6.870 -8.822 2.036 1.00 0.00 N ATOM 411 CA LYS A 31 -7.724 -9.497 2.998 1.00 0.00 C ATOM 412 C LYS A 31 -9.189 -9.195 2.673 1.00 0.00 C ATOM 413 O LYS A 31 -9.958 -10.102 2.357 1.00 0.00 O ATOM 414 CB LYS A 31 -7.322 -9.123 4.426 1.00 0.00 C ATOM 415 CG LYS A 31 -8.125 -9.928 5.450 1.00 0.00 C ATOM 416 CD LYS A 31 -7.200 -10.755 6.345 1.00 0.00 C ATOM 417 CE LYS A 31 -6.389 -11.756 5.519 1.00 0.00 C ATOM 418 NZ LYS A 31 -7.092 -13.057 5.445 1.00 0.00 N ATOM 0 H LYS A 31 -6.240 -8.128 2.438 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.597 -10.577 2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.257 -9.307 4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.486 -8.057 4.587 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.721 -9.252 6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.822 -10.588 4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.524 -10.093 6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.790 -11.287 7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.231 -11.364 4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.405 -11.893 5.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.528 -13.725 4.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.221 -13.437 6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.021 -12.924 4.997 1.00 0.00 H new ATOM 432 N SER A 32 -9.531 -7.918 2.761 1.00 0.00 N ATOM 433 CA SER A 32 -10.889 -7.486 2.480 1.00 0.00 C ATOM 434 C SER A 32 -11.025 -7.115 1.002 1.00 0.00 C ATOM 435 O SER A 32 -10.025 -6.941 0.308 1.00 0.00 O ATOM 436 CB SER A 32 -11.284 -6.301 3.364 1.00 0.00 C ATOM 437 OG SER A 32 -11.354 -5.085 2.625 1.00 0.00 O ATOM 0 H SER A 32 -8.891 -7.169 3.023 1.00 0.00 H new ATOM 0 HA SER A 32 -11.564 -8.312 2.704 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.250 -6.500 3.827 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.560 -6.194 4.171 1.00 0.00 H new ATOM 0 HG SER A 32 -12.262 -4.720 2.681 1.00 0.00 H new ATOM 443 N PRO A 33 -12.304 -7.001 0.553 1.00 0.00 N ATOM 444 CA PRO A 33 -12.583 -6.653 -0.829 1.00 0.00 C ATOM 445 C PRO A 33 -12.325 -5.167 -1.084 1.00 0.00 C ATOM 446 O PRO A 33 -12.471 -4.691 -2.209 1.00 0.00 O ATOM 447 CB PRO A 33 -14.034 -7.050 -1.049 1.00 0.00 C ATOM 448 CG PRO A 33 -14.647 -7.173 0.336 1.00 0.00 C ATOM 449 CD PRO A 33 -13.513 -7.200 1.347 1.00 0.00 C ATOM 0 HA PRO A 33 -11.931 -7.170 -1.533 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.558 -6.301 -1.643 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -14.103 -7.993 -1.592 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -15.315 -6.334 0.534 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -15.245 -8.081 0.409 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -13.630 -6.415 2.094 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.483 -8.149 1.883 1.00 0.00 H new ATOM 457 N GLN A 34 -11.946 -4.474 -0.020 1.00 0.00 N ATOM 458 CA GLN A 34 -11.666 -3.051 -0.114 1.00 0.00 C ATOM 459 C GLN A 34 -10.564 -2.661 0.873 1.00 0.00 C ATOM 460 O GLN A 34 -10.529 -1.529 1.353 1.00 0.00 O ATOM 461 CB GLN A 34 -12.932 -2.227 0.123 1.00 0.00 C ATOM 462 CG GLN A 34 -13.672 -1.968 -1.191 1.00 0.00 C ATOM 463 CD GLN A 34 -15.150 -1.666 -0.938 1.00 0.00 C ATOM 464 OE1 GLN A 34 -15.563 -1.329 0.159 1.00 0.00 O ATOM 465 NE2 GLN A 34 -15.922 -1.804 -2.012 1.00 0.00 N ATOM 0 H GLN A 34 -11.826 -4.872 0.912 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.316 -2.835 -1.123 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.588 -2.753 0.816 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.670 -1.278 0.590 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.210 -1.130 -1.713 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.581 -2.838 -1.841 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -15.512 -2.089 -2.901 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -16.924 -1.624 -1.946 1.00 0.00 H new ATOM 474 N VAL A 35 -9.692 -3.620 1.148 1.00 0.00 N ATOM 475 CA VAL A 35 -8.593 -3.390 2.069 1.00 0.00 C ATOM 476 C VAL A 35 -7.391 -4.237 1.644 1.00 0.00 C ATOM 477 O VAL A 35 -7.517 -5.445 1.449 1.00 0.00 O ATOM 478 CB VAL A 35 -9.045 -3.672 3.504 1.00 0.00 C ATOM 479 CG1 VAL A 35 -7.876 -3.538 4.483 1.00 0.00 C ATOM 480 CG2 VAL A 35 -10.203 -2.755 3.903 1.00 0.00 C ATOM 0 H VAL A 35 -9.725 -4.558 0.749 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.282 -2.346 2.039 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.402 -4.701 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.224 -3.743 5.495 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.095 -4.250 4.216 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.476 -2.525 4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.506 -2.975 4.927 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.884 -1.715 3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.046 -2.920 3.232 1.00 0.00 H new ATOM 490 N ILE A 36 -6.254 -3.570 1.514 1.00 0.00 N ATOM 491 CA ILE A 36 -5.031 -4.246 1.115 1.00 0.00 C ATOM 492 C ILE A 36 -4.098 -4.357 2.323 1.00 0.00 C ATOM 493 O ILE A 36 -3.892 -3.382 3.044 1.00 0.00 O ATOM 494 CB ILE A 36 -4.398 -3.544 -0.088 1.00 0.00 C ATOM 495 CG1 ILE A 36 -5.308 -3.632 -1.315 1.00 0.00 C ATOM 496 CG2 ILE A 36 -2.999 -4.095 -0.371 1.00 0.00 C ATOM 497 CD1 ILE A 36 -5.729 -2.239 -1.787 1.00 0.00 C ATOM 0 H ILE A 36 -6.154 -2.568 1.678 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.248 -5.262 0.784 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.285 -2.487 0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.789 -4.151 -2.121 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.193 -4.221 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.572 -3.579 -1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.363 -3.937 0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.064 -5.162 -0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.375 -2.331 -2.660 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.269 -1.732 -0.988 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.843 -1.661 -2.050 1.00 0.00 H new ATOM 509 N LEU A 37 -3.559 -5.553 2.506 1.00 0.00 N ATOM 510 CA LEU A 37 -2.653 -5.805 3.614 1.00 0.00 C ATOM 511 C LEU A 37 -1.253 -6.090 3.067 1.00 0.00 C ATOM 512 O LEU A 37 -1.099 -6.848 2.111 1.00 0.00 O ATOM 513 CB LEU A 37 -3.201 -6.915 4.512 1.00 0.00 C ATOM 514 CG LEU A 37 -4.395 -6.539 5.392 1.00 0.00 C ATOM 515 CD1 LEU A 37 -4.762 -7.684 6.337 1.00 0.00 C ATOM 516 CD2 LEU A 37 -4.130 -5.235 6.147 1.00 0.00 C ATOM 0 H LEU A 37 -3.732 -6.359 1.905 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.573 -4.923 4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.491 -7.755 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.395 -7.264 5.158 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.255 -6.368 4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.613 -7.390 6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.022 -8.568 5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.912 -7.911 6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.994 -4.990 6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.252 -5.354 6.782 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.955 -4.430 5.433 1.00 0.00 H new ATOM 528 N VAL A 38 -0.268 -5.467 3.698 1.00 0.00 N ATOM 529 CA VAL A 38 1.114 -5.645 3.286 1.00 0.00 C ATOM 530 C VAL A 38 1.967 -5.982 4.511 1.00 0.00 C ATOM 531 O VAL A 38 2.322 -5.096 5.288 1.00 0.00 O ATOM 532 CB VAL A 38 1.602 -4.400 2.542 1.00 0.00 C ATOM 533 CG1 VAL A 38 3.042 -4.582 2.057 1.00 0.00 C ATOM 534 CG2 VAL A 38 0.671 -4.056 1.379 1.00 0.00 C ATOM 0 H VAL A 38 -0.400 -4.839 4.491 1.00 0.00 H new ATOM 0 HA VAL A 38 1.201 -6.479 2.590 1.00 0.00 H new ATOM 0 HB VAL A 38 1.586 -3.564 3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.365 -3.683 1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.695 -4.757 2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.093 -5.436 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.041 -3.167 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.639 -4.891 0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.332 -3.864 1.760 1.00 0.00 H new ATOM 544 N ASN A 39 2.270 -7.264 4.646 1.00 0.00 N ATOM 545 CA ASN A 39 3.074 -7.730 5.763 1.00 0.00 C ATOM 546 C ASN A 39 4.523 -7.279 5.566 1.00 0.00 C ATOM 547 O ASN A 39 5.145 -7.600 4.554 1.00 0.00 O ATOM 548 CB ASN A 39 3.063 -9.257 5.852 1.00 0.00 C ATOM 549 CG ASN A 39 3.482 -9.728 7.246 1.00 0.00 C ATOM 550 OD1 ASN A 39 3.829 -8.946 8.116 1.00 0.00 O ATOM 551 ND2 ASN A 39 3.430 -11.047 7.410 1.00 0.00 N ATOM 0 H ASN A 39 1.973 -7.995 4.000 1.00 0.00 H new ATOM 0 HA ASN A 39 2.653 -7.313 6.678 1.00 0.00 H new ATOM 0 HB2 ASN A 39 2.065 -9.631 5.623 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.739 -9.673 5.105 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.690 -11.460 8.306 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.130 -11.645 6.640 1.00 0.00 H new ATOM 558 N MET A 40 5.019 -6.541 6.549 1.00 0.00 N ATOM 559 CA MET A 40 6.383 -6.043 6.496 1.00 0.00 C ATOM 560 C MET A 40 7.218 -6.607 7.648 1.00 0.00 C ATOM 561 O MET A 40 7.942 -5.868 8.313 1.00 0.00 O ATOM 562 CB MET A 40 6.372 -4.515 6.573 1.00 0.00 C ATOM 563 CG MET A 40 5.503 -3.917 5.465 1.00 0.00 C ATOM 564 SD MET A 40 6.386 -3.944 3.914 1.00 0.00 S ATOM 565 CE MET A 40 7.739 -2.849 4.309 1.00 0.00 C ATOM 0 H MET A 40 4.500 -6.276 7.386 1.00 0.00 H new ATOM 0 HA MET A 40 6.831 -6.365 5.556 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.996 -4.199 7.546 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.390 -4.136 6.486 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.575 -4.482 5.374 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.229 -2.893 5.719 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.562 -1.873 3.856 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.814 -2.739 5.391 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.669 -3.265 3.921 1.00 0.00 H new ATOM 575 N ALA A 41 7.088 -7.910 7.848 1.00 0.00 N ATOM 576 CA ALA A 41 7.822 -8.581 8.907 1.00 0.00 C ATOM 577 C ALA A 41 9.296 -8.689 8.512 1.00 0.00 C ATOM 578 O ALA A 41 10.178 -8.611 9.366 1.00 0.00 O ATOM 579 CB ALA A 41 7.190 -9.947 9.180 1.00 0.00 C ATOM 0 H ALA A 41 6.485 -8.519 7.295 1.00 0.00 H new ATOM 0 HA ALA A 41 7.770 -8.007 9.832 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.741 -10.450 9.975 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.152 -9.813 9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.226 -10.552 8.274 1.00 0.00 H new ATOM 585 N SER A 42 9.517 -8.865 7.218 1.00 0.00 N ATOM 586 CA SER A 42 10.869 -8.985 6.700 1.00 0.00 C ATOM 587 C SER A 42 11.413 -7.602 6.333 1.00 0.00 C ATOM 588 O SER A 42 12.511 -7.487 5.791 1.00 0.00 O ATOM 589 CB SER A 42 10.913 -9.912 5.483 1.00 0.00 C ATOM 590 OG SER A 42 12.007 -10.823 5.546 1.00 0.00 O ATOM 0 H SER A 42 8.783 -8.927 6.513 1.00 0.00 H new ATOM 0 HA SER A 42 11.496 -9.421 7.478 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.979 -10.471 5.419 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.990 -9.315 4.575 1.00 0.00 H new ATOM 0 HG SER A 42 12.000 -11.398 4.753 1.00 0.00 H new ATOM 596 N PHE A 43 10.619 -6.588 6.644 1.00 0.00 N ATOM 597 CA PHE A 43 11.007 -5.218 6.355 1.00 0.00 C ATOM 598 C PHE A 43 10.233 -4.232 7.231 1.00 0.00 C ATOM 599 O PHE A 43 9.448 -3.430 6.726 1.00 0.00 O ATOM 600 CB PHE A 43 10.664 -4.957 4.887 1.00 0.00 C ATOM 601 CG PHE A 43 11.464 -5.808 3.899 1.00 0.00 C ATOM 602 CD1 PHE A 43 11.096 -7.094 3.656 1.00 0.00 C ATOM 603 CD2 PHE A 43 12.545 -5.278 3.265 1.00 0.00 C ATOM 604 CE1 PHE A 43 11.839 -7.884 2.739 1.00 0.00 C ATOM 605 CE2 PHE A 43 13.288 -6.068 2.348 1.00 0.00 C ATOM 606 CZ PHE A 43 12.919 -7.355 2.105 1.00 0.00 C ATOM 0 H PHE A 43 9.709 -6.688 7.093 1.00 0.00 H new ATOM 0 HA PHE A 43 12.070 -5.082 6.555 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.601 -5.144 4.734 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.837 -3.904 4.666 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.239 -7.515 4.160 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.838 -4.257 3.459 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.546 -8.905 2.545 1.00 0.00 H new ATOM 0 HE2 PHE A 43 14.145 -5.647 1.844 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.484 -7.956 1.408 1.00 0.00 H new ATOM 616 N PRO A 44 10.486 -4.325 8.564 1.00 0.00 N ATOM 617 CA PRO A 44 9.821 -3.451 9.515 1.00 0.00 C ATOM 618 C PRO A 44 10.411 -2.040 9.467 1.00 0.00 C ATOM 619 O PRO A 44 9.743 -1.072 9.829 1.00 0.00 O ATOM 620 CB PRO A 44 10.006 -4.126 10.865 1.00 0.00 C ATOM 621 CG PRO A 44 11.156 -5.103 10.689 1.00 0.00 C ATOM 622 CD PRO A 44 11.409 -5.262 9.198 1.00 0.00 C ATOM 0 HA PRO A 44 8.762 -3.316 9.294 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.231 -3.394 11.640 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.097 -4.644 11.170 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.051 -4.734 11.191 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.912 -6.065 11.139 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.444 -5.031 8.945 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.222 -6.285 8.871 1.00 0.00 H new ATOM 630 N GLU A 45 11.655 -1.967 9.018 1.00 0.00 N ATOM 631 CA GLU A 45 12.341 -0.691 8.917 1.00 0.00 C ATOM 632 C GLU A 45 12.004 -0.009 7.590 1.00 0.00 C ATOM 633 O GLU A 45 12.363 1.147 7.373 1.00 0.00 O ATOM 634 CB GLU A 45 13.853 -0.867 9.075 1.00 0.00 C ATOM 635 CG GLU A 45 14.434 -1.682 7.918 1.00 0.00 C ATOM 636 CD GLU A 45 15.707 -1.031 7.373 1.00 0.00 C ATOM 637 OE1 GLU A 45 15.700 0.212 7.249 1.00 0.00 O ATOM 638 OE2 GLU A 45 16.658 -1.792 7.094 1.00 0.00 O ATOM 0 H GLU A 45 12.206 -2.772 8.720 1.00 0.00 H new ATOM 0 HA GLU A 45 11.996 -0.051 9.729 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.334 0.110 9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.068 -1.366 10.020 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.655 -2.694 8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.695 -1.767 7.121 1.00 0.00 H new ATOM 645 N CYS A 46 11.319 -0.755 6.736 1.00 0.00 N ATOM 646 CA CYS A 46 10.930 -0.238 5.435 1.00 0.00 C ATOM 647 C CYS A 46 9.407 -0.093 5.412 1.00 0.00 C ATOM 648 O CYS A 46 8.816 0.122 4.354 1.00 0.00 O ATOM 649 CB CYS A 46 11.436 -1.127 4.298 1.00 0.00 C ATOM 650 SG CYS A 46 12.885 -0.352 3.494 1.00 0.00 S ATOM 0 H CYS A 46 11.023 -1.714 6.920 1.00 0.00 H new ATOM 0 HA CYS A 46 11.390 0.738 5.276 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.707 -2.109 4.686 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.643 -1.282 3.566 1.00 0.00 H new ATOM 0 HG CYS A 46 13.669 -1.278 3.027 1.00 0.00 H new ATOM 656 N THR A 47 8.814 -0.217 6.590 1.00 0.00 N ATOM 657 CA THR A 47 7.372 -0.102 6.719 1.00 0.00 C ATOM 658 C THR A 47 6.901 1.274 6.243 1.00 0.00 C ATOM 659 O THR A 47 6.109 1.374 5.308 1.00 0.00 O ATOM 660 CB THR A 47 7.001 -0.402 8.172 1.00 0.00 C ATOM 661 OG1 THR A 47 7.509 -1.714 8.397 1.00 0.00 O ATOM 662 CG2 THR A 47 5.491 -0.547 8.374 1.00 0.00 C ATOM 0 H THR A 47 9.307 -0.396 7.465 1.00 0.00 H new ATOM 0 HA THR A 47 6.860 -0.824 6.082 1.00 0.00 H new ATOM 0 HB THR A 47 7.378 0.394 8.814 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.002 -2.142 9.119 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.283 -0.759 9.423 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.995 0.380 8.086 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.118 -1.365 7.757 1.00 0.00 H new ATOM 670 N ALA A 48 7.410 2.300 6.909 1.00 0.00 N ATOM 671 CA ALA A 48 7.052 3.666 6.566 1.00 0.00 C ATOM 672 C ALA A 48 7.276 3.887 5.069 1.00 0.00 C ATOM 673 O ALA A 48 6.398 4.398 4.375 1.00 0.00 O ATOM 674 CB ALA A 48 7.863 4.638 7.427 1.00 0.00 C ATOM 0 H ALA A 48 8.067 2.213 7.684 1.00 0.00 H new ATOM 0 HA ALA A 48 5.998 3.850 6.772 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.595 5.663 7.170 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.646 4.459 8.480 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.927 4.485 7.245 1.00 0.00 H new ATOM 680 N ALA A 49 8.456 3.491 4.615 1.00 0.00 N ATOM 681 CA ALA A 49 8.806 3.639 3.213 1.00 0.00 C ATOM 682 C ALA A 49 7.587 3.310 2.349 1.00 0.00 C ATOM 683 O ALA A 49 7.138 4.141 1.560 1.00 0.00 O ATOM 684 CB ALA A 49 10.007 2.748 2.889 1.00 0.00 C ATOM 0 H ALA A 49 9.182 3.068 5.193 1.00 0.00 H new ATOM 0 HA ALA A 49 9.095 4.668 2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.269 2.859 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.855 3.042 3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.753 1.707 3.092 1.00 0.00 H new ATOM 690 N ALA A 50 7.085 2.097 2.528 1.00 0.00 N ATOM 691 CA ALA A 50 5.926 1.648 1.775 1.00 0.00 C ATOM 692 C ALA A 50 4.829 2.712 1.853 1.00 0.00 C ATOM 693 O ALA A 50 4.453 3.296 0.838 1.00 0.00 O ATOM 694 CB ALA A 50 5.463 0.292 2.311 1.00 0.00 C ATOM 0 H ALA A 50 7.460 1.411 3.184 1.00 0.00 H new ATOM 0 HA ALA A 50 6.180 1.513 0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.594 -0.045 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.268 -0.435 2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.197 0.388 3.364 1.00 0.00 H new ATOM 700 N ILE A 51 4.348 2.931 3.068 1.00 0.00 N ATOM 701 CA ILE A 51 3.301 3.915 3.292 1.00 0.00 C ATOM 702 C ILE A 51 3.574 5.149 2.429 1.00 0.00 C ATOM 703 O ILE A 51 2.695 5.610 1.704 1.00 0.00 O ATOM 704 CB ILE A 51 3.168 4.224 4.784 1.00 0.00 C ATOM 705 CG1 ILE A 51 2.387 3.124 5.505 1.00 0.00 C ATOM 706 CG2 ILE A 51 2.547 5.606 5.004 1.00 0.00 C ATOM 707 CD1 ILE A 51 3.093 2.706 6.796 1.00 0.00 C ATOM 0 H ILE A 51 4.663 2.445 3.907 1.00 0.00 H new ATOM 0 HA ILE A 51 2.333 3.519 2.985 1.00 0.00 H new ATOM 0 HB ILE A 51 4.167 4.246 5.218 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.382 3.477 5.734 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.279 2.260 4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.463 5.801 6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.179 6.366 4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.556 5.636 4.551 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.517 1.923 7.289 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.089 2.330 6.561 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.177 3.567 7.460 1.00 0.00 H new ATOM 719 N LYS A 52 4.797 5.648 2.537 1.00 0.00 N ATOM 720 CA LYS A 52 5.197 6.819 1.776 1.00 0.00 C ATOM 721 C LYS A 52 4.831 6.616 0.304 1.00 0.00 C ATOM 722 O LYS A 52 3.967 7.312 -0.226 1.00 0.00 O ATOM 723 CB LYS A 52 6.678 7.127 2.005 1.00 0.00 C ATOM 724 CG LYS A 52 6.856 8.473 2.711 1.00 0.00 C ATOM 725 CD LYS A 52 7.978 8.403 3.749 1.00 0.00 C ATOM 726 CE LYS A 52 7.571 9.108 5.044 1.00 0.00 C ATOM 727 NZ LYS A 52 8.509 8.766 6.137 1.00 0.00 N ATOM 0 H LYS A 52 5.524 5.262 3.140 1.00 0.00 H new ATOM 0 HA LYS A 52 4.655 7.700 2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.129 6.336 2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.202 7.142 1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.083 9.246 1.977 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.923 8.759 3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.220 7.361 3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.880 8.865 3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.561 10.187 4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.558 8.816 5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.218 9.253 7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.499 7.738 6.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.470 9.067 5.877 1.00 0.00 H new ATOM 741 N ALA A 53 5.507 5.658 -0.313 1.00 0.00 N ATOM 742 CA ALA A 53 5.264 5.354 -1.713 1.00 0.00 C ATOM 743 C ALA A 53 3.796 5.633 -2.044 1.00 0.00 C ATOM 744 O ALA A 53 3.497 6.451 -2.912 1.00 0.00 O ATOM 745 CB ALA A 53 5.660 3.903 -1.997 1.00 0.00 C ATOM 0 H ALA A 53 6.223 5.082 0.131 1.00 0.00 H new ATOM 0 HA ALA A 53 5.873 5.990 -2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.478 3.675 -3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.718 3.764 -1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.067 3.235 -1.372 1.00 0.00 H new ATOM 751 N ILE A 54 2.920 4.938 -1.334 1.00 0.00 N ATOM 752 CA ILE A 54 1.491 5.101 -1.541 1.00 0.00 C ATOM 753 C ILE A 54 1.162 6.591 -1.641 1.00 0.00 C ATOM 754 O ILE A 54 0.794 7.080 -2.709 1.00 0.00 O ATOM 755 CB ILE A 54 0.705 4.368 -0.452 1.00 0.00 C ATOM 756 CG1 ILE A 54 0.891 2.854 -0.566 1.00 0.00 C ATOM 757 CG2 ILE A 54 -0.772 4.768 -0.480 1.00 0.00 C ATOM 758 CD1 ILE A 54 1.581 2.292 0.679 1.00 0.00 C ATOM 0 H ILE A 54 3.172 4.260 -0.614 1.00 0.00 H new ATOM 0 HA ILE A 54 1.187 4.644 -2.483 1.00 0.00 H new ATOM 0 HB ILE A 54 1.102 4.668 0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.079 2.374 -0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.484 2.622 -1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.309 4.233 0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.861 5.841 -0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.199 4.515 -1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.701 1.214 0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.560 2.757 0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.974 2.504 1.559 1.00 0.00 H new ATOM 770 N ARG A 55 1.304 7.273 -0.514 1.00 0.00 N ATOM 771 CA ARG A 55 1.026 8.698 -0.461 1.00 0.00 C ATOM 772 C ARG A 55 1.775 9.427 -1.578 1.00 0.00 C ATOM 773 O ARG A 55 1.212 10.295 -2.244 1.00 0.00 O ATOM 774 CB ARG A 55 1.437 9.290 0.889 1.00 0.00 C ATOM 775 CG ARG A 55 0.457 8.878 1.989 1.00 0.00 C ATOM 776 CD ARG A 55 1.178 8.134 3.116 1.00 0.00 C ATOM 777 NE ARG A 55 1.981 9.084 3.917 1.00 0.00 N ATOM 778 CZ ARG A 55 1.467 9.923 4.826 1.00 0.00 C ATOM 779 NH1 ARG A 55 0.146 9.934 5.056 1.00 0.00 N ATOM 780 NH2 ARG A 55 2.272 10.750 5.506 1.00 0.00 N ATOM 0 H ARG A 55 1.608 6.865 0.370 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.048 8.831 -0.592 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.441 8.954 1.147 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.473 10.377 0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.037 9.763 2.391 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.321 8.241 1.568 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.451 7.631 3.754 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.824 7.362 2.698 1.00 0.00 H new ATOM 0 HE ARG A 55 2.990 9.101 3.768 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.467 9.304 4.539 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.246 10.573 5.748 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.277 10.741 5.332 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.880 11.389 6.198 1.00 0.00 H new ATOM 794 N GLU A 56 3.033 9.048 -1.750 1.00 0.00 N ATOM 795 CA GLU A 56 3.865 9.655 -2.775 1.00 0.00 C ATOM 796 C GLU A 56 3.244 9.441 -4.157 1.00 0.00 C ATOM 797 O GLU A 56 3.366 10.294 -5.035 1.00 0.00 O ATOM 798 CB GLU A 56 5.290 9.102 -2.723 1.00 0.00 C ATOM 799 CG GLU A 56 6.094 9.763 -1.602 1.00 0.00 C ATOM 800 CD GLU A 56 7.490 10.159 -2.088 1.00 0.00 C ATOM 801 OE1 GLU A 56 8.397 9.308 -1.963 1.00 0.00 O ATOM 802 OE2 GLU A 56 7.618 11.303 -2.573 1.00 0.00 O ATOM 0 H GLU A 56 3.496 8.328 -1.196 1.00 0.00 H new ATOM 0 HA GLU A 56 3.919 10.727 -2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.260 8.024 -2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.785 9.272 -3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.566 10.646 -1.243 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.179 9.078 -0.758 1.00 0.00 H new ATOM 809 N SER A 57 2.591 8.298 -4.307 1.00 0.00 N ATOM 810 CA SER A 57 1.950 7.961 -5.567 1.00 0.00 C ATOM 811 C SER A 57 0.754 8.885 -5.809 1.00 0.00 C ATOM 812 O SER A 57 0.168 9.408 -4.863 1.00 0.00 O ATOM 813 CB SER A 57 1.504 6.498 -5.584 1.00 0.00 C ATOM 814 OG SER A 57 2.596 5.604 -5.391 1.00 0.00 O ATOM 0 H SER A 57 2.492 7.593 -3.576 1.00 0.00 H new ATOM 0 HA SER A 57 2.676 8.100 -6.368 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.761 6.337 -4.803 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.019 6.278 -6.535 1.00 0.00 H new ATOM 0 HG SER A 57 3.015 5.782 -4.523 1.00 0.00 H new ATOM 820 N GLY A 58 0.428 9.056 -7.082 1.00 0.00 N ATOM 821 CA GLY A 58 -0.688 9.906 -7.460 1.00 0.00 C ATOM 822 C GLY A 58 -2.015 9.315 -6.982 1.00 0.00 C ATOM 823 O GLY A 58 -2.832 8.878 -7.791 1.00 0.00 O ATOM 0 H GLY A 58 0.917 8.621 -7.864 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.554 10.900 -7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.708 10.025 -8.543 1.00 0.00 H new ATOM 827 N MET A 59 -2.189 9.321 -5.668 1.00 0.00 N ATOM 828 CA MET A 59 -3.404 8.791 -5.072 1.00 0.00 C ATOM 829 C MET A 59 -3.910 9.705 -3.954 1.00 0.00 C ATOM 830 O MET A 59 -5.094 10.037 -3.907 1.00 0.00 O ATOM 831 CB MET A 59 -3.128 7.397 -4.506 1.00 0.00 C ATOM 832 CG MET A 59 -3.180 6.337 -5.609 1.00 0.00 C ATOM 833 SD MET A 59 -1.629 5.458 -5.684 1.00 0.00 S ATOM 834 CE MET A 59 -1.944 4.172 -4.486 1.00 0.00 C ATOM 0 H MET A 59 -1.509 9.684 -5.000 1.00 0.00 H new ATOM 0 HA MET A 59 -4.171 8.734 -5.844 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.148 7.382 -4.028 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.862 7.162 -3.735 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.994 5.639 -5.416 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.387 6.809 -6.569 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.125 4.135 -3.768 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.877 4.383 -3.963 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.023 3.212 -4.995 1.00 0.00 H new ATOM 844 N ASN A 60 -2.989 10.087 -3.082 1.00 0.00 N ATOM 845 CA ASN A 60 -3.327 10.956 -1.968 1.00 0.00 C ATOM 846 C ASN A 60 -4.144 10.168 -0.942 1.00 0.00 C ATOM 847 O ASN A 60 -4.783 10.755 -0.070 1.00 0.00 O ATOM 848 CB ASN A 60 -4.171 12.144 -2.433 1.00 0.00 C ATOM 849 CG ASN A 60 -3.519 13.470 -2.033 1.00 0.00 C ATOM 850 OD1 ASN A 60 -2.329 13.554 -1.780 1.00 0.00 O ATOM 851 ND2 ASN A 60 -4.363 14.496 -1.990 1.00 0.00 N ATOM 0 H ASN A 60 -2.008 9.810 -3.124 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.398 11.323 -1.532 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.293 12.107 -3.516 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.168 12.079 -1.998 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.025 15.424 -1.733 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.348 14.356 -2.214 1.00 0.00 H new ATOM 858 N LEU A 61 -4.096 8.852 -1.080 1.00 0.00 N ATOM 859 CA LEU A 61 -4.824 7.978 -0.176 1.00 0.00 C ATOM 860 C LEU A 61 -4.183 8.039 1.212 1.00 0.00 C ATOM 861 O LEU A 61 -3.084 8.567 1.369 1.00 0.00 O ATOM 862 CB LEU A 61 -4.911 6.563 -0.752 1.00 0.00 C ATOM 863 CG LEU A 61 -5.982 6.338 -1.821 1.00 0.00 C ATOM 864 CD1 LEU A 61 -7.229 5.687 -1.219 1.00 0.00 C ATOM 865 CD2 LEU A 61 -6.312 7.642 -2.550 1.00 0.00 C ATOM 0 H LEU A 61 -3.564 8.369 -1.804 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.854 8.316 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.941 6.305 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.093 5.869 0.068 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.584 5.646 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.975 5.538 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.962 4.724 -0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.639 6.335 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.076 7.454 -3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.682 8.376 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.413 8.027 -3.032 1.00 0.00 H new ATOM 877 N ASN A 62 -4.898 7.491 2.183 1.00 0.00 N ATOM 878 CA ASN A 62 -4.413 7.476 3.553 1.00 0.00 C ATOM 879 C ASN A 62 -4.167 6.030 3.986 1.00 0.00 C ATOM 880 O ASN A 62 -5.070 5.369 4.498 1.00 0.00 O ATOM 881 CB ASN A 62 -5.440 8.088 4.507 1.00 0.00 C ATOM 882 CG ASN A 62 -4.757 8.677 5.743 1.00 0.00 C ATOM 883 OD1 ASN A 62 -4.549 8.014 6.745 1.00 0.00 O ATOM 884 ND2 ASN A 62 -4.421 9.958 5.616 1.00 0.00 N ATOM 0 H ASN A 62 -5.810 7.054 2.049 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.493 8.059 3.592 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.002 8.867 3.991 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.158 7.326 4.812 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.960 10.443 6.386 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.624 10.455 4.749 1.00 0.00 H new ATOM 891 N PRO A 63 -2.908 5.568 3.760 1.00 0.00 N ATOM 892 CA PRO A 63 -2.531 4.212 4.122 1.00 0.00 C ATOM 893 C PRO A 63 -2.345 4.080 5.635 1.00 0.00 C ATOM 894 O PRO A 63 -1.953 5.036 6.302 1.00 0.00 O ATOM 895 CB PRO A 63 -1.257 3.936 3.341 1.00 0.00 C ATOM 896 CG PRO A 63 -0.714 5.296 2.935 1.00 0.00 C ATOM 897 CD PRO A 63 -1.813 6.322 3.156 1.00 0.00 C ATOM 0 HA PRO A 63 -3.301 3.481 3.874 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.535 3.393 3.951 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.461 3.320 2.465 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.167 5.547 3.526 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.405 5.287 1.890 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.478 7.127 3.811 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.120 6.782 2.217 1.00 0.00 H new ATOM 905 N GLU A 64 -2.636 2.887 6.133 1.00 0.00 N ATOM 906 CA GLU A 64 -2.506 2.617 7.555 1.00 0.00 C ATOM 907 C GLU A 64 -1.273 1.750 7.820 1.00 0.00 C ATOM 908 O GLU A 64 -0.637 1.268 6.884 1.00 0.00 O ATOM 909 CB GLU A 64 -3.770 1.956 8.106 1.00 0.00 C ATOM 910 CG GLU A 64 -4.961 2.915 8.047 1.00 0.00 C ATOM 911 CD GLU A 64 -5.558 3.133 9.438 1.00 0.00 C ATOM 912 OE1 GLU A 64 -6.409 2.305 9.827 1.00 0.00 O ATOM 913 OE2 GLU A 64 -5.150 4.124 10.082 1.00 0.00 O ATOM 0 H GLU A 64 -2.961 2.096 5.577 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.377 3.566 8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.994 1.057 7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.601 1.643 9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.643 3.871 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.723 2.514 7.379 1.00 0.00 H new ATOM 920 N VAL A 65 -0.974 1.579 9.099 1.00 0.00 N ATOM 921 CA VAL A 65 0.171 0.779 9.499 1.00 0.00 C ATOM 922 C VAL A 65 -0.035 0.280 10.931 1.00 0.00 C ATOM 923 O VAL A 65 -0.171 1.079 11.856 1.00 0.00 O ATOM 924 CB VAL A 65 1.460 1.586 9.327 1.00 0.00 C ATOM 925 CG1 VAL A 65 1.639 2.584 10.473 1.00 0.00 C ATOM 926 CG2 VAL A 65 2.674 0.662 9.210 1.00 0.00 C ATOM 0 H VAL A 65 -1.505 1.981 9.872 1.00 0.00 H new ATOM 0 HA VAL A 65 0.265 -0.099 8.859 1.00 0.00 H new ATOM 0 HB VAL A 65 1.379 2.152 8.399 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.562 3.144 10.327 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.795 3.273 10.490 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.687 2.046 11.420 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.577 1.261 9.089 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.759 0.057 10.112 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.553 0.009 8.345 1.00 0.00 H new ATOM 936 N GLU A 66 -0.053 -1.038 11.068 1.00 0.00 N ATOM 937 CA GLU A 66 -0.241 -1.652 12.371 1.00 0.00 C ATOM 938 C GLU A 66 0.876 -2.660 12.648 1.00 0.00 C ATOM 939 O GLU A 66 0.878 -3.758 12.094 1.00 0.00 O ATOM 940 CB GLU A 66 -1.616 -2.316 12.471 1.00 0.00 C ATOM 941 CG GLU A 66 -2.501 -1.594 13.489 1.00 0.00 C ATOM 942 CD GLU A 66 -3.734 -2.431 13.835 1.00 0.00 C ATOM 943 OE1 GLU A 66 -3.556 -3.654 14.020 1.00 0.00 O ATOM 944 OE2 GLU A 66 -4.827 -1.828 13.906 1.00 0.00 O ATOM 0 H GLU A 66 0.060 -1.697 10.298 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.195 -0.871 13.130 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.099 -2.309 11.494 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.499 -3.360 12.761 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.929 -1.391 14.394 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.813 -0.630 13.086 1.00 0.00 H new ATOM 951 N GLY A 67 1.798 -2.251 13.507 1.00 0.00 N ATOM 952 CA GLY A 67 2.918 -3.104 13.865 1.00 0.00 C ATOM 953 C GLY A 67 3.865 -3.293 12.678 1.00 0.00 C ATOM 954 O GLY A 67 4.849 -2.566 12.543 1.00 0.00 O ATOM 0 H GLY A 67 1.792 -1.340 13.966 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.461 -2.665 14.702 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.549 -4.074 14.198 1.00 0.00 H new ATOM 958 N THR A 68 3.535 -4.272 11.849 1.00 0.00 N ATOM 959 CA THR A 68 4.344 -4.565 10.678 1.00 0.00 C ATOM 960 C THR A 68 3.452 -4.780 9.453 1.00 0.00 C ATOM 961 O THR A 68 3.929 -5.193 8.398 1.00 0.00 O ATOM 962 CB THR A 68 5.229 -5.770 11.004 1.00 0.00 C ATOM 963 OG1 THR A 68 4.444 -6.542 11.908 1.00 0.00 O ATOM 964 CG2 THR A 68 6.465 -5.385 11.818 1.00 0.00 C ATOM 0 H THR A 68 2.719 -4.872 11.965 1.00 0.00 H new ATOM 0 HA THR A 68 4.992 -3.726 10.426 1.00 0.00 H new ATOM 0 HB THR A 68 5.541 -6.253 10.078 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.942 -7.345 12.170 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.058 -6.276 12.022 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.065 -4.671 11.253 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.154 -4.933 12.760 1.00 0.00 H new ATOM 972 N LEU A 69 2.172 -4.489 9.635 1.00 0.00 N ATOM 973 CA LEU A 69 1.209 -4.645 8.559 1.00 0.00 C ATOM 974 C LEU A 69 0.754 -3.264 8.083 1.00 0.00 C ATOM 975 O LEU A 69 0.783 -2.300 8.846 1.00 0.00 O ATOM 976 CB LEU A 69 0.059 -5.554 8.996 1.00 0.00 C ATOM 977 CG LEU A 69 0.115 -6.997 8.490 1.00 0.00 C ATOM 978 CD1 LEU A 69 -0.137 -7.059 6.982 1.00 0.00 C ATOM 979 CD2 LEU A 69 1.436 -7.664 8.878 1.00 0.00 C ATOM 0 H LEU A 69 1.780 -4.146 10.512 1.00 0.00 H new ATOM 0 HA LEU A 69 1.670 -5.141 7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.031 -5.573 10.085 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.878 -5.108 8.661 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.683 -7.560 8.974 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.092 -8.096 6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.122 -6.649 6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.623 -6.477 6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.449 -8.689 8.506 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.266 -7.109 8.441 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.535 -7.671 9.963 1.00 0.00 H new ATOM 991 N ILE A 70 0.345 -3.212 6.824 1.00 0.00 N ATOM 992 CA ILE A 70 -0.116 -1.965 6.237 1.00 0.00 C ATOM 993 C ILE A 70 -1.520 -2.164 5.664 1.00 0.00 C ATOM 994 O ILE A 70 -1.712 -2.956 4.742 1.00 0.00 O ATOM 995 CB ILE A 70 0.898 -1.447 5.215 1.00 0.00 C ATOM 996 CG1 ILE A 70 2.327 -1.574 5.748 1.00 0.00 C ATOM 997 CG2 ILE A 70 0.569 -0.014 4.794 1.00 0.00 C ATOM 998 CD1 ILE A 70 3.343 -1.083 4.714 1.00 0.00 C ATOM 0 H ILE A 70 0.323 -4.014 6.194 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.190 -1.190 6.999 1.00 0.00 H new ATOM 0 HB ILE A 70 0.831 -2.068 4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.429 -0.996 6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.534 -2.614 6.001 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.305 0.330 4.067 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.424 0.015 4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.591 0.636 5.668 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.351 -1.184 5.118 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.255 -1.679 3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.148 -0.036 4.481 1.00 0.00 H new ATOM 1010 N ARG A 71 -2.466 -1.432 6.233 1.00 0.00 N ATOM 1011 CA ARG A 71 -3.847 -1.518 5.790 1.00 0.00 C ATOM 1012 C ARG A 71 -4.203 -0.309 4.922 1.00 0.00 C ATOM 1013 O ARG A 71 -4.036 0.834 5.344 1.00 0.00 O ATOM 1014 CB ARG A 71 -4.805 -1.580 6.981 1.00 0.00 C ATOM 1015 CG ARG A 71 -5.842 -2.690 6.794 1.00 0.00 C ATOM 1016 CD ARG A 71 -7.194 -2.282 7.383 1.00 0.00 C ATOM 1017 NE ARG A 71 -7.310 -2.777 8.773 1.00 0.00 N ATOM 1018 CZ ARG A 71 -8.150 -2.267 9.684 1.00 0.00 C ATOM 1019 NH1 ARG A 71 -8.953 -1.245 9.358 1.00 0.00 N ATOM 1020 NH2 ARG A 71 -8.188 -2.779 10.922 1.00 0.00 N ATOM 0 H ARG A 71 -2.303 -0.776 6.997 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.951 -2.433 5.206 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.241 -1.755 7.897 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.310 -0.621 7.096 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.956 -2.911 5.733 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.493 -3.604 7.275 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.295 -1.197 7.365 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.002 -2.688 6.775 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.713 -3.555 9.055 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.925 -0.855 8.416 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.592 -0.857 10.052 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.577 -3.557 11.171 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.828 -2.390 11.615 1.00 0.00 H new ATOM 1034 N VAL A 72 -4.686 -0.603 3.723 1.00 0.00 N ATOM 1035 CA VAL A 72 -5.066 0.445 2.792 1.00 0.00 C ATOM 1036 C VAL A 72 -6.500 0.204 2.317 1.00 0.00 C ATOM 1037 O VAL A 72 -6.731 -0.590 1.407 1.00 0.00 O ATOM 1038 CB VAL A 72 -4.059 0.514 1.642 1.00 0.00 C ATOM 1039 CG1 VAL A 72 -4.753 0.874 0.327 1.00 0.00 C ATOM 1040 CG2 VAL A 72 -2.934 1.501 1.957 1.00 0.00 C ATOM 0 H VAL A 72 -4.823 -1.552 3.376 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.045 1.418 3.283 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.614 -0.474 1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.015 0.917 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.501 0.117 0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.238 1.845 0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.232 1.531 1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.355 2.494 2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.412 1.182 2.859 1.00 0.00 H new ATOM 1050 N PRO A 73 -7.451 0.923 2.972 1.00 0.00 N ATOM 1051 CA PRO A 73 -8.857 0.795 2.626 1.00 0.00 C ATOM 1052 C PRO A 73 -9.166 1.517 1.314 1.00 0.00 C ATOM 1053 O PRO A 73 -8.817 2.684 1.146 1.00 0.00 O ATOM 1054 CB PRO A 73 -9.608 1.374 3.814 1.00 0.00 C ATOM 1055 CG PRO A 73 -8.600 2.223 4.571 1.00 0.00 C ATOM 1056 CD PRO A 73 -7.214 1.873 4.055 1.00 0.00 C ATOM 0 HA PRO A 73 -9.155 -0.238 2.449 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.456 1.975 3.485 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.006 0.582 4.448 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.806 3.283 4.423 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.668 2.032 5.642 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.689 2.759 3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.599 1.433 4.840 1.00 0.00 H new ATOM 1064 N ILE A 74 -9.818 0.792 0.416 1.00 0.00 N ATOM 1065 CA ILE A 74 -10.179 1.349 -0.876 1.00 0.00 C ATOM 1066 C ILE A 74 -11.303 2.370 -0.691 1.00 0.00 C ATOM 1067 O ILE A 74 -12.218 2.154 0.102 1.00 0.00 O ATOM 1068 CB ILE A 74 -10.520 0.232 -1.865 1.00 0.00 C ATOM 1069 CG1 ILE A 74 -9.420 -0.832 -1.890 1.00 0.00 C ATOM 1070 CG2 ILE A 74 -10.801 0.799 -3.258 1.00 0.00 C ATOM 1071 CD1 ILE A 74 -8.449 -0.589 -3.048 1.00 0.00 C ATOM 0 H ILE A 74 -10.105 -0.176 0.558 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.333 1.881 -1.311 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.434 -0.257 -1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.876 -0.820 -0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.868 -1.821 -1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.041 -0.016 -3.941 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.643 1.489 -3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.920 1.328 -3.620 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.677 -1.359 -3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.992 -0.626 -3.992 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.985 0.391 -2.934 1.00 0.00 H new ATOM 1083 N PRO A 75 -11.194 3.489 -1.456 1.00 0.00 N ATOM 1084 CA PRO A 75 -12.191 4.544 -1.385 1.00 0.00 C ATOM 1085 C PRO A 75 -13.476 4.135 -2.105 1.00 0.00 C ATOM 1086 O PRO A 75 -14.544 4.080 -1.496 1.00 0.00 O ATOM 1087 CB PRO A 75 -11.522 5.759 -2.007 1.00 0.00 C ATOM 1088 CG PRO A 75 -10.356 5.223 -2.821 1.00 0.00 C ATOM 1089 CD PRO A 75 -10.124 3.779 -2.407 1.00 0.00 C ATOM 0 HA PRO A 75 -12.505 4.758 -0.363 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.220 6.308 -2.639 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.176 6.451 -1.239 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.575 5.284 -3.887 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -9.461 5.819 -2.644 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.166 3.109 -3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.143 3.651 -1.950 1.00 0.00 H new