USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 741 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 1 ALA N :NH3+ -174:sc= 1 (180deg=0) USER MOD Set 1.2: A 3 GLN :FLIP amide:sc= -2.79! C(o=-7.8!,f=-1.8!) USER MOD Single : A 5 THR OG1 : rot -21:sc= 0.501 USER MOD Single : A 8 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.55) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -148:sc= 0.728 (180deg=0.202) USER MOD Single : A 26 THR OG1 : rot 23:sc= -1.38! USER MOD Single : A 28 THR OG1 : rot 77:sc= -0.195 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 86:sc= 1.2 USER MOD Single : A 36 MET CE :methyl -167:sc= 0 (180deg=-0.0566) USER MOD Single : A 38 SER OG : rot 77:sc= 0.7 USER MOD Single : A 41 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.4) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 44 THR OG1 : rot 171:sc= -2.22! USER MOD Single : A 49 GLN : amide:sc= -0.749 K(o=-0.75,f=-2!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.28) USER MOD Single : A 60 ASN : amide:sc= -0.343 K(o=-0.34,f=-1.6!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 103:sc= 1.32 USER MOD Single : A 71 MET CE :methyl -173:sc= -1.83 (180deg=-2.12) USER MOD Single : A 72 MET CE :methyl -127:sc= -0.184 (180deg=-1.44) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -159:sc= -0.0369 (180deg=-0.535) USER MOD Single : A 77 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0877) USER MOD Single : B 46 THR OG1 : rot 22:sc= 1.12 USER MOD Single : B 51 SER OG : rot 78:sc= 1.24 USER MOD Single : B 53 GLN : amide:sc= -0.0268 K(o=-0.027,f=-1.7!) USER MOD Single : B 61 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.732 -20.692 3.329 1.00 0.00 N ATOM 2 CA ALA A 1 -3.752 -21.741 3.074 1.00 0.00 C ATOM 3 C ALA A 1 -4.423 -21.435 1.748 1.00 0.00 C ATOM 4 O ALA A 1 -5.285 -20.560 1.660 1.00 0.00 O ATOM 5 CB ALA A 1 -4.783 -21.753 4.209 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.189 -20.936 4.182 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.088 -20.629 2.515 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.204 -19.776 3.469 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.284 -22.725 3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.528 -22.525 4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.281 -21.962 5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.273 -20.781 4.265 1.00 0.00 H new ATOM 13 N ASP A 2 -4.006 -22.155 0.715 1.00 0.00 N ATOM 14 CA ASP A 2 -4.562 -21.949 -0.611 1.00 0.00 C ATOM 15 C ASP A 2 -4.424 -20.483 -1.024 1.00 0.00 C ATOM 16 O ASP A 2 -5.276 -19.941 -1.727 1.00 0.00 O ATOM 17 CB ASP A 2 -6.029 -22.376 -0.617 1.00 0.00 C ATOM 18 CG ASP A 2 -6.121 -23.898 -0.539 1.00 0.00 C ATOM 19 OD1 ASP A 2 -5.091 -24.543 -0.664 1.00 0.00 O ATOM 20 OD2 ASP A 2 -7.217 -24.397 -0.350 1.00 0.00 O ATOM 0 H ASP A 2 -3.291 -22.880 0.770 1.00 0.00 H new ATOM 0 HA ASP A 2 -4.013 -22.555 -1.332 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -6.552 -21.926 0.227 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.518 -22.018 -1.523 1.00 0.00 H new ATOM 25 N GLN A 3 -3.338 -19.850 -0.577 1.00 0.00 N ATOM 26 CA GLN A 3 -3.082 -18.448 -0.900 1.00 0.00 C ATOM 27 C GLN A 3 -3.148 -18.222 -2.411 1.00 0.00 C ATOM 28 O GLN A 3 -3.315 -19.166 -3.183 1.00 0.00 O ATOM 29 CB GLN A 3 -1.703 -18.037 -0.375 1.00 0.00 C ATOM 30 CG GLN A 3 -0.654 -19.091 -0.768 1.00 0.00 C ATOM 31 CD GLN A 3 -0.661 -20.248 0.229 1.00 0.00 C ATOM 32 OE1 GLN A 3 -0.680 -19.993 1.510 1.00 0.00 O flip ATOM 33 NE2 GLN A 3 -0.651 -21.413 -0.171 1.00 0.00 N flip ATOM 0 H GLN A 3 -2.625 -20.285 0.008 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.849 -17.837 -0.423 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.424 -17.065 -0.783 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.735 -17.930 0.709 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.863 -19.465 -1.770 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.335 -18.635 -0.798 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.636 -21.608 -1.172 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.658 -22.182 0.499 1.00 0.00 H new ATOM 42 N LEU A 4 -3.038 -16.962 -2.822 1.00 0.00 N ATOM 43 CA LEU A 4 -3.112 -16.618 -4.242 1.00 0.00 C ATOM 44 C LEU A 4 -1.990 -17.301 -5.035 1.00 0.00 C ATOM 45 O LEU A 4 -2.232 -18.273 -5.750 1.00 0.00 O ATOM 46 CB LEU A 4 -3.017 -15.093 -4.421 1.00 0.00 C ATOM 47 CG LEU A 4 -3.754 -14.373 -3.285 1.00 0.00 C ATOM 48 CD1 LEU A 4 -3.727 -12.869 -3.545 1.00 0.00 C ATOM 49 CD2 LEU A 4 -5.204 -14.854 -3.217 1.00 0.00 C ATOM 0 H LEU A 4 -2.898 -16.166 -2.199 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.069 -16.971 -4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.971 -14.787 -4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.447 -14.806 -5.381 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.262 -14.593 -2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.250 -12.351 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.693 -12.525 -3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.219 -12.655 -4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.721 -14.338 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.703 -14.639 -4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.223 -15.928 -3.033 1.00 0.00 H new ATOM 61 N THR A 5 -0.769 -16.788 -4.901 1.00 0.00 N ATOM 62 CA THR A 5 0.380 -17.363 -5.610 1.00 0.00 C ATOM 63 C THR A 5 1.684 -16.784 -5.070 1.00 0.00 C ATOM 64 O THR A 5 1.676 -15.757 -4.402 1.00 0.00 O ATOM 65 CB THR A 5 0.271 -17.077 -7.112 1.00 0.00 C ATOM 66 OG1 THR A 5 -0.927 -17.656 -7.613 1.00 0.00 O ATOM 67 CG2 THR A 5 1.472 -17.679 -7.845 1.00 0.00 C ATOM 0 H THR A 5 -0.547 -15.983 -4.315 1.00 0.00 H new ATOM 0 HA THR A 5 0.379 -18.441 -5.449 1.00 0.00 H new ATOM 0 HB THR A 5 0.257 -15.999 -7.274 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.231 -18.359 -7.001 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.388 -17.472 -8.912 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.391 -17.237 -7.461 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.493 -18.757 -7.685 1.00 0.00 H new ATOM 75 N GLU A 6 2.799 -17.448 -5.367 1.00 0.00 N ATOM 76 CA GLU A 6 4.103 -16.986 -4.901 1.00 0.00 C ATOM 77 C GLU A 6 4.279 -15.497 -5.163 1.00 0.00 C ATOM 78 O GLU A 6 4.490 -14.707 -4.247 1.00 0.00 O ATOM 79 CB GLU A 6 5.216 -17.775 -5.610 1.00 0.00 C ATOM 80 CG GLU A 6 6.584 -17.383 -5.042 1.00 0.00 C ATOM 81 CD GLU A 6 7.689 -18.190 -5.722 1.00 0.00 C ATOM 82 OE1 GLU A 6 7.677 -18.267 -6.940 1.00 0.00 O ATOM 83 OE2 GLU A 6 8.531 -18.717 -5.013 1.00 0.00 O ATOM 0 H GLU A 6 2.826 -18.302 -5.924 1.00 0.00 H new ATOM 0 HA GLU A 6 4.164 -17.154 -3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.053 -18.845 -5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.188 -17.576 -6.681 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.757 -16.317 -5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.604 -17.560 -3.967 1.00 0.00 H new ATOM 90 N GLU A 7 4.207 -15.125 -6.422 1.00 0.00 N ATOM 91 CA GLU A 7 4.368 -13.722 -6.800 1.00 0.00 C ATOM 92 C GLU A 7 3.548 -12.816 -5.871 1.00 0.00 C ATOM 93 O GLU A 7 4.094 -11.935 -5.206 1.00 0.00 O ATOM 94 CB GLU A 7 3.910 -13.522 -8.264 1.00 0.00 C ATOM 95 CG GLU A 7 2.882 -14.603 -8.636 1.00 0.00 C ATOM 96 CD GLU A 7 2.037 -14.166 -9.829 1.00 0.00 C ATOM 97 OE1 GLU A 7 1.784 -12.980 -9.952 1.00 0.00 O ATOM 98 OE2 GLU A 7 1.653 -15.030 -10.602 1.00 0.00 O ATOM 0 H GLU A 7 4.040 -15.761 -7.201 1.00 0.00 H new ATOM 0 HA GLU A 7 5.420 -13.453 -6.708 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.471 -12.532 -8.386 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.768 -13.576 -8.934 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.397 -15.534 -8.872 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.235 -14.804 -7.782 1.00 0.00 H new ATOM 105 N GLN A 8 2.236 -13.014 -5.868 1.00 0.00 N ATOM 106 CA GLN A 8 1.333 -12.190 -5.081 1.00 0.00 C ATOM 107 C GLN A 8 1.848 -11.941 -3.665 1.00 0.00 C ATOM 108 O GLN A 8 2.044 -10.789 -3.276 1.00 0.00 O ATOM 109 CB GLN A 8 -0.019 -12.892 -5.002 1.00 0.00 C ATOM 110 CG GLN A 8 -0.691 -12.918 -6.382 1.00 0.00 C ATOM 111 CD GLN A 8 -1.088 -11.510 -6.812 1.00 0.00 C ATOM 112 OE1 GLN A 8 -1.638 -10.749 -6.016 1.00 0.00 O ATOM 113 NE2 GLN A 8 -0.847 -11.123 -8.034 1.00 0.00 N ATOM 0 H GLN A 8 1.772 -13.745 -6.407 1.00 0.00 H new ATOM 0 HA GLN A 8 1.252 -11.220 -5.572 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.114 -13.910 -4.636 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.662 -12.378 -4.287 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.010 -13.350 -7.116 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.573 -13.557 -6.351 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.391 -11.758 -8.689 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.115 -10.186 -8.334 1.00 0.00 H new ATOM 122 N ILE A 9 2.046 -13.001 -2.882 1.00 0.00 N ATOM 123 CA ILE A 9 2.507 -12.814 -1.513 1.00 0.00 C ATOM 124 C ILE A 9 3.807 -12.004 -1.483 1.00 0.00 C ATOM 125 O ILE A 9 3.927 -11.024 -0.747 1.00 0.00 O ATOM 126 CB ILE A 9 2.689 -14.174 -0.823 1.00 0.00 C ATOM 127 CG1 ILE A 9 3.522 -15.102 -1.701 1.00 0.00 C ATOM 128 CG2 ILE A 9 1.321 -14.818 -0.594 1.00 0.00 C ATOM 129 CD1 ILE A 9 3.724 -16.434 -1.000 1.00 0.00 C ATOM 0 H ILE A 9 1.899 -13.970 -3.164 1.00 0.00 H new ATOM 0 HA ILE A 9 1.751 -12.250 -0.966 1.00 0.00 H new ATOM 0 HB ILE A 9 3.197 -14.017 0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.023 -15.257 -2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.488 -14.644 -1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.451 -15.783 -0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.715 -14.169 0.038 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.821 -14.961 -1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.320 -17.092 -1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.242 -16.273 -0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.755 -16.895 -0.808 1.00 0.00 H new ATOM 141 N ALA A 10 4.774 -12.407 -2.289 1.00 0.00 N ATOM 142 CA ALA A 10 6.042 -11.705 -2.341 1.00 0.00 C ATOM 143 C ALA A 10 5.802 -10.252 -2.735 1.00 0.00 C ATOM 144 O ALA A 10 6.553 -9.358 -2.348 1.00 0.00 O ATOM 145 CB ALA A 10 6.960 -12.385 -3.364 1.00 0.00 C ATOM 0 H ALA A 10 4.705 -13.212 -2.912 1.00 0.00 H new ATOM 0 HA ALA A 10 6.519 -11.733 -1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.913 -11.858 -3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.130 -13.420 -3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.490 -12.360 -4.347 1.00 0.00 H new ATOM 151 N GLU A 11 4.742 -10.033 -3.508 1.00 0.00 N ATOM 152 CA GLU A 11 4.389 -8.692 -3.965 1.00 0.00 C ATOM 153 C GLU A 11 3.971 -7.802 -2.796 1.00 0.00 C ATOM 154 O GLU A 11 4.413 -6.657 -2.691 1.00 0.00 O ATOM 155 CB GLU A 11 3.235 -8.785 -4.979 1.00 0.00 C ATOM 156 CG GLU A 11 3.299 -7.614 -5.966 1.00 0.00 C ATOM 157 CD GLU A 11 3.183 -6.287 -5.221 1.00 0.00 C ATOM 158 OE1 GLU A 11 2.437 -6.230 -4.258 1.00 0.00 O ATOM 159 OE2 GLU A 11 3.846 -5.345 -5.627 1.00 0.00 O ATOM 0 H GLU A 11 4.112 -10.767 -3.831 1.00 0.00 H new ATOM 0 HA GLU A 11 5.266 -8.247 -4.436 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.293 -9.729 -5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.279 -8.776 -4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.237 -7.647 -6.520 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.494 -7.701 -6.696 1.00 0.00 H new ATOM 166 N PHE A 12 3.108 -8.325 -1.928 1.00 0.00 N ATOM 167 CA PHE A 12 2.640 -7.555 -0.793 1.00 0.00 C ATOM 168 C PHE A 12 3.807 -7.219 0.133 1.00 0.00 C ATOM 169 O PHE A 12 3.923 -6.094 0.597 1.00 0.00 O ATOM 170 CB PHE A 12 1.521 -8.345 -0.059 1.00 0.00 C ATOM 171 CG PHE A 12 1.965 -8.769 1.326 1.00 0.00 C ATOM 172 CD1 PHE A 12 2.066 -7.817 2.348 1.00 0.00 C ATOM 173 CD2 PHE A 12 2.301 -10.103 1.578 1.00 0.00 C ATOM 174 CE1 PHE A 12 2.494 -8.202 3.617 1.00 0.00 C ATOM 175 CE2 PHE A 12 2.734 -10.487 2.847 1.00 0.00 C ATOM 176 CZ PHE A 12 2.829 -9.538 3.869 1.00 0.00 C ATOM 0 H PHE A 12 2.726 -9.269 -1.993 1.00 0.00 H new ATOM 0 HA PHE A 12 2.217 -6.610 -1.134 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.626 -7.727 0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.252 -9.225 -0.642 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.812 -6.785 2.153 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.225 -10.837 0.789 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.567 -7.469 4.407 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.996 -11.517 3.040 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.161 -9.835 4.853 1.00 0.00 H new ATOM 186 N LYS A 13 4.657 -8.211 0.399 1.00 0.00 N ATOM 187 CA LYS A 13 5.795 -8.008 1.286 1.00 0.00 C ATOM 188 C LYS A 13 6.674 -6.872 0.777 1.00 0.00 C ATOM 189 O LYS A 13 7.053 -5.981 1.539 1.00 0.00 O ATOM 190 CB LYS A 13 6.622 -9.295 1.363 1.00 0.00 C ATOM 191 CG LYS A 13 7.730 -9.159 2.425 1.00 0.00 C ATOM 192 CD LYS A 13 7.187 -9.573 3.797 1.00 0.00 C ATOM 193 CE LYS A 13 6.939 -11.095 3.851 1.00 0.00 C ATOM 194 NZ LYS A 13 7.336 -11.586 5.195 1.00 0.00 N ATOM 0 H LYS A 13 4.578 -9.153 0.016 1.00 0.00 H new ATOM 0 HA LYS A 13 5.422 -7.748 2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.975 -10.137 1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.066 -9.508 0.391 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.582 -9.784 2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.088 -8.130 2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.895 -9.287 4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.258 -9.041 4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.888 -11.315 3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.515 -11.601 3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.176 -12.612 5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.344 -11.384 5.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.767 -11.107 5.922 1.00 0.00 H new ATOM 208 N GLU A 14 6.991 -6.906 -0.510 1.00 0.00 N ATOM 209 CA GLU A 14 7.821 -5.868 -1.102 1.00 0.00 C ATOM 210 C GLU A 14 7.190 -4.495 -0.885 1.00 0.00 C ATOM 211 O GLU A 14 7.808 -3.596 -0.312 1.00 0.00 O ATOM 212 CB GLU A 14 7.974 -6.130 -2.604 1.00 0.00 C ATOM 213 CG GLU A 14 8.900 -7.335 -2.837 1.00 0.00 C ATOM 214 CD GLU A 14 8.927 -7.718 -4.320 1.00 0.00 C ATOM 215 OE1 GLU A 14 8.298 -7.029 -5.107 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.576 -8.700 -4.646 1.00 0.00 O ATOM 0 H GLU A 14 6.689 -7.634 -1.158 1.00 0.00 H new ATOM 0 HA GLU A 14 8.801 -5.885 -0.624 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.998 -6.320 -3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.382 -5.247 -3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.908 -7.096 -2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.558 -8.183 -2.243 1.00 0.00 H new ATOM 223 N ALA A 15 5.950 -4.346 -1.335 1.00 0.00 N ATOM 224 CA ALA A 15 5.241 -3.080 -1.182 1.00 0.00 C ATOM 225 C ALA A 15 5.142 -2.705 0.294 1.00 0.00 C ATOM 226 O ALA A 15 5.355 -1.550 0.668 1.00 0.00 O ATOM 227 CB ALA A 15 3.842 -3.196 -1.806 1.00 0.00 C ATOM 0 H ALA A 15 5.418 -5.078 -1.805 1.00 0.00 H new ATOM 0 HA ALA A 15 5.793 -2.293 -1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.313 -2.250 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.935 -3.434 -2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.284 -3.987 -1.304 1.00 0.00 H new ATOM 233 N PHE A 16 4.837 -3.688 1.131 1.00 0.00 N ATOM 234 CA PHE A 16 4.730 -3.444 2.562 1.00 0.00 C ATOM 235 C PHE A 16 6.037 -2.874 3.116 1.00 0.00 C ATOM 236 O PHE A 16 6.036 -1.853 3.803 1.00 0.00 O ATOM 237 CB PHE A 16 4.365 -4.770 3.277 1.00 0.00 C ATOM 238 CG PHE A 16 5.050 -4.877 4.624 1.00 0.00 C ATOM 239 CD1 PHE A 16 4.582 -4.148 5.719 1.00 0.00 C ATOM 240 CD2 PHE A 16 6.178 -5.699 4.757 1.00 0.00 C ATOM 241 CE1 PHE A 16 5.240 -4.245 6.949 1.00 0.00 C ATOM 242 CE2 PHE A 16 6.836 -5.791 5.981 1.00 0.00 C ATOM 243 CZ PHE A 16 6.368 -5.068 7.075 1.00 0.00 C ATOM 0 H PHE A 16 4.661 -4.652 0.847 1.00 0.00 H new ATOM 0 HA PHE A 16 3.947 -2.708 2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.285 -4.828 3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.655 -5.614 2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.715 -3.512 5.616 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.537 -6.262 3.908 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.880 -3.687 7.801 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.707 -6.422 6.081 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.876 -5.142 8.025 1.00 0.00 H new ATOM 253 N SER A 17 7.140 -3.550 2.824 1.00 0.00 N ATOM 254 CA SER A 17 8.446 -3.120 3.316 1.00 0.00 C ATOM 255 C SER A 17 8.750 -1.686 2.895 1.00 0.00 C ATOM 256 O SER A 17 9.376 -0.932 3.641 1.00 0.00 O ATOM 257 CB SER A 17 9.541 -4.052 2.786 1.00 0.00 C ATOM 258 OG SER A 17 10.709 -3.902 3.583 1.00 0.00 O ATOM 0 H SER A 17 7.159 -4.394 2.252 1.00 0.00 H new ATOM 0 HA SER A 17 8.424 -3.163 4.405 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.199 -5.087 2.812 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.764 -3.816 1.745 1.00 0.00 H new ATOM 0 HG SER A 17 11.412 -4.497 3.249 1.00 0.00 H new ATOM 264 N LEU A 18 8.314 -1.314 1.698 1.00 0.00 N ATOM 265 CA LEU A 18 8.559 0.041 1.195 1.00 0.00 C ATOM 266 C LEU A 18 7.808 1.087 2.012 1.00 0.00 C ATOM 267 O LEU A 18 8.350 2.148 2.325 1.00 0.00 O ATOM 268 CB LEU A 18 8.131 0.140 -0.273 1.00 0.00 C ATOM 269 CG LEU A 18 9.072 -0.697 -1.154 1.00 0.00 C ATOM 270 CD1 LEU A 18 8.537 -0.721 -2.590 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.496 -0.100 -1.144 1.00 0.00 C ATOM 0 H LEU A 18 7.795 -1.919 1.061 1.00 0.00 H new ATOM 0 HA LEU A 18 9.627 0.239 1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.106 -0.212 -0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.148 1.181 -0.596 1.00 0.00 H new ATOM 0 HG LEU A 18 9.115 -1.712 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.203 -1.314 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.541 -1.163 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.486 0.297 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.149 -0.705 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.466 0.920 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.880 -0.092 -0.124 1.00 0.00 H new ATOM 283 N PHE A 19 6.553 0.794 2.333 1.00 0.00 N ATOM 284 CA PHE A 19 5.734 1.733 3.093 1.00 0.00 C ATOM 285 C PHE A 19 6.212 1.860 4.533 1.00 0.00 C ATOM 286 O PHE A 19 6.442 2.959 5.009 1.00 0.00 O ATOM 287 CB PHE A 19 4.273 1.287 3.078 1.00 0.00 C ATOM 288 CG PHE A 19 3.739 1.324 1.665 1.00 0.00 C ATOM 289 CD1 PHE A 19 3.673 2.538 0.967 1.00 0.00 C ATOM 290 CD2 PHE A 19 3.310 0.144 1.047 1.00 0.00 C ATOM 291 CE1 PHE A 19 3.181 2.568 -0.342 1.00 0.00 C ATOM 292 CE2 PHE A 19 2.819 0.175 -0.254 1.00 0.00 C ATOM 293 CZ PHE A 19 2.755 1.385 -0.955 1.00 0.00 C ATOM 0 H PHE A 19 6.084 -0.076 2.083 1.00 0.00 H new ATOM 0 HA PHE A 19 5.827 2.709 2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.187 0.278 3.482 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.678 1.938 3.718 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.002 3.451 1.441 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.360 -0.793 1.582 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.130 3.504 -0.879 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.486 -0.738 -0.725 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.378 1.405 -1.967 1.00 0.00 H new ATOM 303 N ASP A 20 6.349 0.738 5.228 1.00 0.00 N ATOM 304 CA ASP A 20 6.795 0.778 6.619 1.00 0.00 C ATOM 305 C ASP A 20 8.177 1.419 6.731 1.00 0.00 C ATOM 306 O ASP A 20 9.180 0.727 6.901 1.00 0.00 O ATOM 307 CB ASP A 20 6.840 -0.642 7.188 1.00 0.00 C ATOM 308 CG ASP A 20 7.011 -0.596 8.701 1.00 0.00 C ATOM 309 OD1 ASP A 20 6.777 0.456 9.273 1.00 0.00 O ATOM 310 OD2 ASP A 20 7.377 -1.612 9.263 1.00 0.00 O ATOM 0 H ASP A 20 6.162 -0.196 4.862 1.00 0.00 H new ATOM 0 HA ASP A 20 6.088 1.380 7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.922 -1.173 6.934 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.664 -1.196 6.738 1.00 0.00 H new ATOM 315 N LYS A 21 8.226 2.748 6.630 1.00 0.00 N ATOM 316 CA LYS A 21 9.503 3.450 6.717 1.00 0.00 C ATOM 317 C LYS A 21 10.147 3.210 8.079 1.00 0.00 C ATOM 318 O LYS A 21 11.306 2.808 8.163 1.00 0.00 O ATOM 319 CB LYS A 21 9.309 4.959 6.502 1.00 0.00 C ATOM 320 CG LYS A 21 8.282 5.226 5.392 1.00 0.00 C ATOM 321 CD LYS A 21 8.632 4.454 4.105 1.00 0.00 C ATOM 322 CE LYS A 21 10.004 4.896 3.580 1.00 0.00 C ATOM 323 NZ LYS A 21 10.156 4.453 2.165 1.00 0.00 N ATOM 0 H LYS A 21 7.413 3.348 6.491 1.00 0.00 H new ATOM 0 HA LYS A 21 10.156 3.062 5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.976 5.423 7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.262 5.419 6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.289 4.934 5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.244 6.294 5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.639 3.383 4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.870 4.632 3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.100 5.980 3.646 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.796 4.468 4.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.156 4.242 1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.585 3.599 2.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.833 5.209 1.528 1.00 0.00 H new ATOM 337 N ASP A 22 9.394 3.474 9.143 1.00 0.00 N ATOM 338 CA ASP A 22 9.924 3.310 10.488 1.00 0.00 C ATOM 339 C ASP A 22 10.364 1.865 10.688 1.00 0.00 C ATOM 340 O ASP A 22 11.171 1.567 11.570 1.00 0.00 O ATOM 341 CB ASP A 22 8.822 3.653 11.501 1.00 0.00 C ATOM 342 CG ASP A 22 8.037 4.876 11.035 1.00 0.00 C ATOM 343 OD1 ASP A 22 8.662 5.877 10.720 1.00 0.00 O ATOM 344 OD2 ASP A 22 6.817 4.786 10.996 1.00 0.00 O ATOM 0 H ASP A 22 8.428 3.798 9.100 1.00 0.00 H new ATOM 0 HA ASP A 22 10.779 3.970 10.632 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.149 2.804 11.618 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.264 3.847 12.478 1.00 0.00 H new ATOM 349 N GLY A 23 9.852 0.975 9.839 1.00 0.00 N ATOM 350 CA GLY A 23 10.215 -0.433 9.901 1.00 0.00 C ATOM 351 C GLY A 23 9.798 -1.068 11.223 1.00 0.00 C ATOM 352 O GLY A 23 10.551 -1.851 11.803 1.00 0.00 O ATOM 0 H GLY A 23 9.186 1.207 9.102 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.742 -0.967 9.076 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.292 -0.537 9.772 1.00 0.00 H new ATOM 356 N ASP A 24 8.597 -0.735 11.698 1.00 0.00 N ATOM 357 CA ASP A 24 8.103 -1.296 12.962 1.00 0.00 C ATOM 358 C ASP A 24 7.214 -2.516 12.717 1.00 0.00 C ATOM 359 O ASP A 24 6.740 -3.148 13.660 1.00 0.00 O ATOM 360 CB ASP A 24 7.333 -0.230 13.748 1.00 0.00 C ATOM 361 CG ASP A 24 5.984 0.059 13.099 1.00 0.00 C ATOM 362 OD1 ASP A 24 5.770 -0.399 11.988 1.00 0.00 O ATOM 363 OD2 ASP A 24 5.185 0.735 13.725 1.00 0.00 O ATOM 0 H ASP A 24 7.955 -0.090 11.237 1.00 0.00 H new ATOM 0 HA ASP A 24 8.964 -1.619 13.547 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.182 -0.567 14.774 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.921 0.687 13.797 1.00 0.00 H new ATOM 368 N GLY A 25 6.991 -2.844 11.445 1.00 0.00 N ATOM 369 CA GLY A 25 6.156 -3.995 11.082 1.00 0.00 C ATOM 370 C GLY A 25 4.735 -3.559 10.746 1.00 0.00 C ATOM 371 O GLY A 25 3.844 -4.389 10.570 1.00 0.00 O ATOM 0 H GLY A 25 7.374 -2.333 10.649 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.593 -4.510 10.227 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.135 -4.708 11.907 1.00 0.00 H new ATOM 375 N THR A 26 4.531 -2.249 10.661 1.00 0.00 N ATOM 376 CA THR A 26 3.216 -1.696 10.348 1.00 0.00 C ATOM 377 C THR A 26 3.359 -0.492 9.434 1.00 0.00 C ATOM 378 O THR A 26 4.460 0.014 9.230 1.00 0.00 O ATOM 379 CB THR A 26 2.507 -1.281 11.639 1.00 0.00 C ATOM 380 OG1 THR A 26 3.420 -0.568 12.470 1.00 0.00 O ATOM 381 CG2 THR A 26 1.985 -2.522 12.372 1.00 0.00 C ATOM 0 H THR A 26 5.259 -1.549 10.804 1.00 0.00 H new ATOM 0 HA THR A 26 2.625 -2.459 9.841 1.00 0.00 H new ATOM 0 HB THR A 26 1.661 -0.637 11.398 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.135 -0.187 11.919 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.482 -2.218 13.290 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.281 -3.054 11.732 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.820 -3.178 12.617 1.00 0.00 H new ATOM 389 N ILE A 27 2.230 -0.021 8.902 1.00 0.00 N ATOM 390 CA ILE A 27 2.230 1.153 8.025 1.00 0.00 C ATOM 391 C ILE A 27 1.368 2.241 8.648 1.00 0.00 C ATOM 392 O ILE A 27 0.347 1.948 9.262 1.00 0.00 O ATOM 393 CB ILE A 27 1.710 0.793 6.634 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.722 -0.112 5.933 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.511 2.072 5.814 1.00 0.00 C ATOM 396 CD1 ILE A 27 2.093 -0.689 4.658 1.00 0.00 C ATOM 0 H ILE A 27 1.309 -0.430 9.061 1.00 0.00 H new ATOM 0 HA ILE A 27 3.252 1.516 7.915 1.00 0.00 H new ATOM 0 HB ILE A 27 0.757 0.271 6.725 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.621 0.453 5.685 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.027 -0.919 6.599 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.140 1.814 4.822 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.789 2.717 6.315 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.462 2.596 5.721 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.814 -1.335 4.157 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.207 -1.268 4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.810 0.125 3.991 1.00 0.00 H new ATOM 408 N THR A 28 1.790 3.497 8.500 1.00 0.00 N ATOM 409 CA THR A 28 1.047 4.628 9.071 1.00 0.00 C ATOM 410 C THR A 28 0.769 5.697 8.015 1.00 0.00 C ATOM 411 O THR A 28 1.359 5.691 6.934 1.00 0.00 O ATOM 412 CB THR A 28 1.851 5.235 10.225 1.00 0.00 C ATOM 413 OG1 THR A 28 2.048 4.249 11.231 1.00 0.00 O ATOM 414 CG2 THR A 28 1.087 6.420 10.819 1.00 0.00 C ATOM 0 H THR A 28 2.636 3.759 7.994 1.00 0.00 H new ATOM 0 HA THR A 28 0.089 4.260 9.439 1.00 0.00 H new ATOM 0 HB THR A 28 2.816 5.578 9.852 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.755 3.631 10.950 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.662 6.849 11.640 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.933 7.176 10.049 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.121 6.080 11.192 1.00 0.00 H new ATOM 422 N THR A 29 -0.148 6.607 8.340 1.00 0.00 N ATOM 423 CA THR A 29 -0.523 7.679 7.423 1.00 0.00 C ATOM 424 C THR A 29 0.709 8.459 6.978 1.00 0.00 C ATOM 425 O THR A 29 0.863 8.779 5.800 1.00 0.00 O ATOM 426 CB THR A 29 -1.490 8.641 8.119 1.00 0.00 C ATOM 427 OG1 THR A 29 -0.803 9.334 9.152 1.00 0.00 O ATOM 428 CG2 THR A 29 -2.661 7.863 8.722 1.00 0.00 C ATOM 0 H THR A 29 -0.644 6.622 9.231 1.00 0.00 H new ATOM 0 HA THR A 29 -1.001 7.232 6.551 1.00 0.00 H new ATOM 0 HB THR A 29 -1.873 9.353 7.388 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.420 9.952 9.598 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.343 8.556 9.215 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.191 7.333 7.931 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.284 7.145 9.451 1.00 0.00 H new ATOM 436 N LYS A 30 1.576 8.764 7.934 1.00 0.00 N ATOM 437 CA LYS A 30 2.797 9.508 7.652 1.00 0.00 C ATOM 438 C LYS A 30 3.757 8.676 6.801 1.00 0.00 C ATOM 439 O LYS A 30 4.371 9.186 5.862 1.00 0.00 O ATOM 440 CB LYS A 30 3.471 9.909 8.966 1.00 0.00 C ATOM 441 CG LYS A 30 2.599 10.941 9.690 1.00 0.00 C ATOM 442 CD LYS A 30 3.259 11.331 11.017 1.00 0.00 C ATOM 443 CE LYS A 30 2.390 12.360 11.746 1.00 0.00 C ATOM 444 NZ LYS A 30 3.031 12.715 13.045 1.00 0.00 N ATOM 0 H LYS A 30 1.456 8.507 8.914 1.00 0.00 H new ATOM 0 HA LYS A 30 2.536 10.405 7.091 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.615 9.032 9.596 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.459 10.325 8.769 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.467 11.824 9.064 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.607 10.529 9.873 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.393 10.447 11.641 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.251 11.744 10.833 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.269 13.252 11.131 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.393 11.954 11.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.443 13.414 13.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.124 11.861 13.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.973 13.118 12.868 1.00 0.00 H new ATOM 458 N GLU A 31 3.874 7.390 7.130 1.00 0.00 N ATOM 459 CA GLU A 31 4.755 6.494 6.383 1.00 0.00 C ATOM 460 C GLU A 31 4.319 6.432 4.923 1.00 0.00 C ATOM 461 O GLU A 31 5.047 6.853 4.021 1.00 0.00 O ATOM 462 CB GLU A 31 4.709 5.089 7.000 1.00 0.00 C ATOM 463 CG GLU A 31 5.502 5.067 8.314 1.00 0.00 C ATOM 464 CD GLU A 31 5.379 3.700 8.988 1.00 0.00 C ATOM 465 OE1 GLU A 31 4.262 3.233 9.138 1.00 0.00 O ATOM 466 OE2 GLU A 31 6.403 3.148 9.356 1.00 0.00 O ATOM 0 H GLU A 31 3.375 6.948 7.902 1.00 0.00 H new ATOM 0 HA GLU A 31 5.775 6.875 6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.675 4.798 7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.125 4.362 6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.551 5.289 8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.132 5.844 8.983 1.00 0.00 H new ATOM 473 N LEU A 32 3.114 5.930 4.702 1.00 0.00 N ATOM 474 CA LEU A 32 2.572 5.834 3.357 1.00 0.00 C ATOM 475 C LEU A 32 2.436 7.224 2.732 1.00 0.00 C ATOM 476 O LEU A 32 2.762 7.416 1.562 1.00 0.00 O ATOM 477 CB LEU A 32 1.207 5.108 3.422 1.00 0.00 C ATOM 478 CG LEU A 32 0.212 5.638 2.343 1.00 0.00 C ATOM 479 CD1 LEU A 32 -0.709 4.511 1.873 1.00 0.00 C ATOM 480 CD2 LEU A 32 -0.627 6.805 2.919 1.00 0.00 C ATOM 0 H LEU A 32 2.495 5.584 5.435 1.00 0.00 H new ATOM 0 HA LEU A 32 3.250 5.261 2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.358 4.038 3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.772 5.241 4.413 1.00 0.00 H new ATOM 0 HG LEU A 32 0.784 6.002 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.398 4.894 1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.111 3.708 1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.275 4.126 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.318 7.167 2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.191 6.455 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.036 7.615 3.222 1.00 0.00 H new ATOM 492 N GLY A 33 1.925 8.170 3.500 1.00 0.00 N ATOM 493 CA GLY A 33 1.719 9.514 2.990 1.00 0.00 C ATOM 494 C GLY A 33 3.004 10.055 2.390 1.00 0.00 C ATOM 495 O GLY A 33 2.995 10.652 1.313 1.00 0.00 O ATOM 0 H GLY A 33 1.647 8.034 4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.933 9.507 2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.383 10.168 3.795 1.00 0.00 H new ATOM 499 N THR A 34 4.112 9.834 3.087 1.00 0.00 N ATOM 500 CA THR A 34 5.404 10.295 2.604 1.00 0.00 C ATOM 501 C THR A 34 5.721 9.643 1.263 1.00 0.00 C ATOM 502 O THR A 34 6.124 10.321 0.318 1.00 0.00 O ATOM 503 CB THR A 34 6.496 9.945 3.619 1.00 0.00 C ATOM 504 OG1 THR A 34 6.223 10.599 4.848 1.00 0.00 O ATOM 505 CG2 THR A 34 7.860 10.399 3.093 1.00 0.00 C ATOM 0 H THR A 34 4.141 9.343 3.980 1.00 0.00 H new ATOM 0 HA THR A 34 5.368 11.377 2.476 1.00 0.00 H new ATOM 0 HB THR A 34 6.512 8.866 3.772 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.616 10.048 5.384 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.632 10.147 3.820 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.072 9.896 2.149 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.848 11.477 2.935 1.00 0.00 H new ATOM 513 N VAL A 35 5.534 8.325 1.178 1.00 0.00 N ATOM 514 CA VAL A 35 5.808 7.599 -0.059 1.00 0.00 C ATOM 515 C VAL A 35 4.973 8.148 -1.212 1.00 0.00 C ATOM 516 O VAL A 35 5.467 8.302 -2.324 1.00 0.00 O ATOM 517 CB VAL A 35 5.478 6.111 0.128 1.00 0.00 C ATOM 518 CG1 VAL A 35 5.696 5.357 -1.188 1.00 0.00 C ATOM 519 CG2 VAL A 35 6.382 5.514 1.206 1.00 0.00 C ATOM 0 H VAL A 35 5.197 7.744 1.945 1.00 0.00 H new ATOM 0 HA VAL A 35 6.865 7.724 -0.296 1.00 0.00 H new ATOM 0 HB VAL A 35 4.435 6.016 0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.460 4.302 -1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.047 5.774 -1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.737 5.457 -1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.145 4.458 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.424 5.617 0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.222 6.040 2.147 1.00 0.00 H new ATOM 529 N MET A 36 3.713 8.463 -0.932 1.00 0.00 N ATOM 530 CA MET A 36 2.827 9.006 -1.966 1.00 0.00 C ATOM 531 C MET A 36 3.301 10.386 -2.437 1.00 0.00 C ATOM 532 O MET A 36 3.231 10.705 -3.624 1.00 0.00 O ATOM 533 CB MET A 36 1.397 9.092 -1.435 1.00 0.00 C ATOM 534 CG MET A 36 0.879 7.677 -1.162 1.00 0.00 C ATOM 535 SD MET A 36 -0.843 7.756 -0.606 1.00 0.00 S ATOM 536 CE MET A 36 -1.618 7.367 -2.194 1.00 0.00 C ATOM 0 H MET A 36 3.283 8.356 -0.013 1.00 0.00 H new ATOM 0 HA MET A 36 2.853 8.333 -2.823 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.370 9.685 -0.521 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.756 9.594 -2.160 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.952 7.072 -2.065 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.495 7.194 -0.403 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.685 7.586 -2.142 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.162 7.970 -2.979 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.475 6.310 -2.419 1.00 0.00 H new ATOM 546 N ARG A 37 3.781 11.197 -1.500 1.00 0.00 N ATOM 547 CA ARG A 37 4.266 12.539 -1.838 1.00 0.00 C ATOM 548 C ARG A 37 5.612 12.463 -2.567 1.00 0.00 C ATOM 549 O ARG A 37 5.787 13.061 -3.629 1.00 0.00 O ATOM 550 CB ARG A 37 4.394 13.386 -0.578 1.00 0.00 C ATOM 551 CG ARG A 37 4.805 14.805 -0.975 1.00 0.00 C ATOM 552 CD ARG A 37 4.701 15.717 0.234 1.00 0.00 C ATOM 553 NE ARG A 37 5.216 17.045 -0.092 1.00 0.00 N ATOM 554 CZ ARG A 37 4.440 17.976 -0.640 1.00 0.00 C ATOM 555 NH1 ARG A 37 3.184 17.723 -0.883 1.00 0.00 N ATOM 556 NH2 ARG A 37 4.943 19.143 -0.941 1.00 0.00 N ATOM 0 H ARG A 37 3.846 10.957 -0.511 1.00 0.00 H new ATOM 0 HA ARG A 37 3.542 13.008 -2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.447 13.405 -0.039 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.135 12.953 0.094 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.825 14.806 -1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.163 15.171 -1.776 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.662 15.790 0.555 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.263 15.295 1.067 1.00 0.00 H new ATOM 0 HE ARG A 37 6.193 17.263 0.105 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.794 16.809 -0.653 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.592 18.439 -1.303 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.927 19.337 -0.756 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.352 19.860 -1.361 1.00 0.00 H new ATOM 570 N SER A 38 6.559 11.727 -1.988 1.00 0.00 N ATOM 571 CA SER A 38 7.889 11.587 -2.583 1.00 0.00 C ATOM 572 C SER A 38 7.786 11.174 -4.047 1.00 0.00 C ATOM 573 O SER A 38 8.629 11.542 -4.866 1.00 0.00 O ATOM 574 CB SER A 38 8.700 10.543 -1.815 1.00 0.00 C ATOM 575 OG SER A 38 8.828 10.948 -0.458 1.00 0.00 O ATOM 0 H SER A 38 6.432 11.220 -1.112 1.00 0.00 H new ATOM 0 HA SER A 38 8.391 12.553 -2.525 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.209 9.572 -1.871 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.686 10.428 -2.266 1.00 0.00 H new ATOM 0 HG SER A 38 7.991 10.767 0.018 1.00 0.00 H new ATOM 581 N LEU A 39 6.754 10.404 -4.368 1.00 0.00 N ATOM 582 CA LEU A 39 6.556 9.940 -5.737 1.00 0.00 C ATOM 583 C LEU A 39 6.149 11.089 -6.657 1.00 0.00 C ATOM 584 O LEU A 39 6.190 10.955 -7.881 1.00 0.00 O ATOM 585 CB LEU A 39 5.485 8.847 -5.755 1.00 0.00 C ATOM 586 CG LEU A 39 6.055 7.553 -5.148 1.00 0.00 C ATOM 587 CD1 LEU A 39 4.904 6.611 -4.782 1.00 0.00 C ATOM 588 CD2 LEU A 39 6.977 6.846 -6.162 1.00 0.00 C ATOM 0 H LEU A 39 6.045 10.089 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 39 7.499 9.536 -6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.611 9.171 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.154 8.665 -6.778 1.00 0.00 H new ATOM 0 HG LEU A 39 6.629 7.808 -4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.307 5.694 -4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.253 7.097 -4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.332 6.371 -5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.373 5.932 -5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.409 6.598 -7.059 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.802 7.508 -6.427 1.00 0.00 H new ATOM 600 N GLY A 40 5.779 12.219 -6.065 1.00 0.00 N ATOM 601 CA GLY A 40 5.388 13.397 -6.840 1.00 0.00 C ATOM 602 C GLY A 40 3.907 13.378 -7.208 1.00 0.00 C ATOM 603 O GLY A 40 3.499 14.005 -8.187 1.00 0.00 O ATOM 0 H GLY A 40 5.741 12.347 -5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.607 14.297 -6.265 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.986 13.447 -7.750 1.00 0.00 H new ATOM 607 N GLN A 41 3.099 12.663 -6.427 1.00 0.00 N ATOM 608 CA GLN A 41 1.659 12.582 -6.695 1.00 0.00 C ATOM 609 C GLN A 41 0.906 13.678 -5.936 1.00 0.00 C ATOM 610 O GLN A 41 1.275 14.042 -4.819 1.00 0.00 O ATOM 611 CB GLN A 41 1.135 11.201 -6.291 1.00 0.00 C ATOM 612 CG GLN A 41 -0.345 11.057 -6.679 1.00 0.00 C ATOM 613 CD GLN A 41 -0.535 11.177 -8.194 1.00 0.00 C ATOM 614 OE1 GLN A 41 -1.316 12.010 -8.653 1.00 0.00 O ATOM 615 NE2 GLN A 41 0.125 10.388 -9.002 1.00 0.00 N ATOM 0 H GLN A 41 3.410 12.136 -5.611 1.00 0.00 H new ATOM 0 HA GLN A 41 1.492 12.730 -7.762 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.723 10.424 -6.780 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.251 11.061 -5.216 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.721 10.092 -6.338 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.932 11.824 -6.174 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.773 9.697 -8.624 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.008 10.464 -10.010 1.00 0.00 H new ATOM 624 N ASN A 42 -0.143 14.204 -6.564 1.00 0.00 N ATOM 625 CA ASN A 42 -0.950 15.268 -5.970 1.00 0.00 C ATOM 626 C ASN A 42 -1.224 15.002 -4.487 1.00 0.00 C ATOM 627 O ASN A 42 -1.236 13.852 -4.049 1.00 0.00 O ATOM 628 CB ASN A 42 -2.282 15.373 -6.730 1.00 0.00 C ATOM 629 CG ASN A 42 -2.101 16.197 -8.001 1.00 0.00 C ATOM 630 OD1 ASN A 42 -1.130 16.004 -8.733 1.00 0.00 O ATOM 631 ND2 ASN A 42 -2.980 17.114 -8.305 1.00 0.00 N ATOM 0 H ASN A 42 -0.456 13.909 -7.489 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.396 16.204 -6.046 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.644 14.376 -6.983 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.037 15.835 -6.093 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.863 17.672 -9.151 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.784 17.272 -7.697 1.00 0.00 H new ATOM 638 N PRO A 43 -1.452 16.040 -3.714 1.00 0.00 N ATOM 639 CA PRO A 43 -1.740 15.902 -2.254 1.00 0.00 C ATOM 640 C PRO A 43 -3.042 15.141 -2.006 1.00 0.00 C ATOM 641 O PRO A 43 -4.100 15.514 -2.516 1.00 0.00 O ATOM 642 CB PRO A 43 -1.824 17.360 -1.753 1.00 0.00 C ATOM 643 CG PRO A 43 -2.114 18.182 -2.969 1.00 0.00 C ATOM 644 CD PRO A 43 -1.461 17.451 -4.142 1.00 0.00 C ATOM 0 HA PRO A 43 -0.977 15.326 -1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.609 17.474 -1.005 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.890 17.669 -1.284 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.188 18.284 -3.123 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.710 19.189 -2.864 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.028 17.586 -5.063 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.452 17.818 -4.331 1.00 0.00 H new ATOM 652 N THR A 44 -2.952 14.076 -1.213 1.00 0.00 N ATOM 653 CA THR A 44 -4.123 13.267 -0.894 1.00 0.00 C ATOM 654 C THR A 44 -3.905 12.504 0.413 1.00 0.00 C ATOM 655 O THR A 44 -4.652 11.581 0.738 1.00 0.00 O ATOM 656 CB THR A 44 -4.410 12.292 -2.043 1.00 0.00 C ATOM 657 OG1 THR A 44 -5.697 11.719 -1.862 1.00 0.00 O ATOM 658 CG2 THR A 44 -3.355 11.186 -2.072 1.00 0.00 C ATOM 0 H THR A 44 -2.085 13.755 -0.782 1.00 0.00 H new ATOM 0 HA THR A 44 -4.983 13.925 -0.766 1.00 0.00 H new ATOM 0 HB THR A 44 -4.378 12.834 -2.988 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.946 11.214 -2.664 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.569 10.500 -2.892 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.369 11.627 -2.217 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.374 10.641 -1.128 1.00 0.00 H new ATOM 666 N GLU A 45 -2.885 12.912 1.163 1.00 0.00 N ATOM 667 CA GLU A 45 -2.579 12.278 2.440 1.00 0.00 C ATOM 668 C GLU A 45 -3.805 12.303 3.348 1.00 0.00 C ATOM 669 O GLU A 45 -3.902 11.529 4.296 1.00 0.00 O ATOM 670 CB GLU A 45 -1.408 13.016 3.109 1.00 0.00 C ATOM 671 CG GLU A 45 -1.130 12.421 4.494 1.00 0.00 C ATOM 672 CD GLU A 45 0.100 13.079 5.117 1.00 0.00 C ATOM 673 OE1 GLU A 45 0.555 14.074 4.576 1.00 0.00 O ATOM 674 OE2 GLU A 45 0.563 12.582 6.130 1.00 0.00 O ATOM 0 H GLU A 45 -2.259 13.676 0.909 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.298 11.239 2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.517 12.939 2.486 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.642 14.077 3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.995 12.567 5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.972 11.346 4.410 1.00 0.00 H new ATOM 681 N ALA A 46 -4.748 13.184 3.037 1.00 0.00 N ATOM 682 CA ALA A 46 -5.973 13.288 3.823 1.00 0.00 C ATOM 683 C ALA A 46 -6.899 12.114 3.512 1.00 0.00 C ATOM 684 O ALA A 46 -7.471 11.500 4.416 1.00 0.00 O ATOM 685 CB ALA A 46 -6.678 14.606 3.506 1.00 0.00 C ATOM 0 H ALA A 46 -4.690 13.833 2.252 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.718 13.263 4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.592 14.680 4.095 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.020 15.439 3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.926 14.640 2.445 1.00 0.00 H new ATOM 691 N GLU A 47 -7.025 11.808 2.226 1.00 0.00 N ATOM 692 CA GLU A 47 -7.864 10.704 1.782 1.00 0.00 C ATOM 693 C GLU A 47 -7.454 9.417 2.489 1.00 0.00 C ATOM 694 O GLU A 47 -8.289 8.713 3.057 1.00 0.00 O ATOM 695 CB GLU A 47 -7.719 10.535 0.259 1.00 0.00 C ATOM 696 CG GLU A 47 -8.544 11.608 -0.472 1.00 0.00 C ATOM 697 CD GLU A 47 -8.349 11.497 -1.985 1.00 0.00 C ATOM 698 OE1 GLU A 47 -7.686 10.569 -2.415 1.00 0.00 O ATOM 699 OE2 GLU A 47 -8.873 12.345 -2.691 1.00 0.00 O ATOM 0 H GLU A 47 -6.556 12.310 1.472 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.904 10.921 2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.670 10.615 -0.026 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.055 9.542 -0.038 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.600 11.493 -0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.244 12.599 -0.133 1.00 0.00 H new ATOM 706 N LEU A 48 -6.160 9.125 2.455 1.00 0.00 N ATOM 707 CA LEU A 48 -5.645 7.924 3.099 1.00 0.00 C ATOM 708 C LEU A 48 -5.922 7.970 4.599 1.00 0.00 C ATOM 709 O LEU A 48 -6.462 7.027 5.165 1.00 0.00 O ATOM 710 CB LEU A 48 -4.130 7.834 2.849 1.00 0.00 C ATOM 711 CG LEU A 48 -3.840 7.112 1.519 1.00 0.00 C ATOM 712 CD1 LEU A 48 -4.301 5.638 1.590 1.00 0.00 C ATOM 713 CD2 LEU A 48 -4.576 7.837 0.385 1.00 0.00 C ATOM 0 H LEU A 48 -5.454 9.698 1.993 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.141 7.047 2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.700 8.835 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.652 7.300 3.670 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.767 7.126 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.088 5.144 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.768 5.128 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.373 5.601 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.376 7.332 -0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.648 7.827 0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.228 8.868 0.326 1.00 0.00 H new ATOM 725 N GLN A 49 -5.551 9.072 5.234 1.00 0.00 N ATOM 726 CA GLN A 49 -5.766 9.218 6.672 1.00 0.00 C ATOM 727 C GLN A 49 -7.169 8.758 7.058 1.00 0.00 C ATOM 728 O GLN A 49 -7.351 8.054 8.053 1.00 0.00 O ATOM 729 CB GLN A 49 -5.580 10.690 7.065 1.00 0.00 C ATOM 730 CG GLN A 49 -4.092 11.009 7.227 1.00 0.00 C ATOM 731 CD GLN A 49 -3.889 12.518 7.323 1.00 0.00 C ATOM 732 OE1 GLN A 49 -4.856 13.279 7.291 1.00 0.00 O ATOM 733 NE2 GLN A 49 -2.680 12.995 7.440 1.00 0.00 N ATOM 0 H GLN A 49 -5.104 9.872 4.785 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.042 8.598 7.200 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.017 11.336 6.303 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.107 10.895 7.997 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.703 10.524 8.122 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.532 10.612 6.380 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.882 12.361 7.466 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.533 14.002 7.505 1.00 0.00 H new ATOM 742 N ASP A 50 -8.150 9.164 6.270 1.00 0.00 N ATOM 743 CA ASP A 50 -9.534 8.795 6.536 1.00 0.00 C ATOM 744 C ASP A 50 -9.772 7.313 6.246 1.00 0.00 C ATOM 745 O ASP A 50 -10.511 6.645 6.969 1.00 0.00 O ATOM 746 CB ASP A 50 -10.465 9.652 5.675 1.00 0.00 C ATOM 747 CG ASP A 50 -11.899 9.559 6.187 1.00 0.00 C ATOM 748 OD1 ASP A 50 -12.083 9.112 7.308 1.00 0.00 O ATOM 749 OD2 ASP A 50 -12.794 9.941 5.450 1.00 0.00 O ATOM 0 H ASP A 50 -8.017 9.747 5.444 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.744 8.971 7.591 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.133 10.690 5.692 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.420 9.319 4.638 1.00 0.00 H new ATOM 754 N MET A 51 -9.149 6.806 5.183 1.00 0.00 N ATOM 755 CA MET A 51 -9.313 5.401 4.813 1.00 0.00 C ATOM 756 C MET A 51 -8.621 4.479 5.809 1.00 0.00 C ATOM 757 O MET A 51 -9.217 3.516 6.283 1.00 0.00 O ATOM 758 CB MET A 51 -8.737 5.165 3.415 1.00 0.00 C ATOM 759 CG MET A 51 -9.600 5.881 2.371 1.00 0.00 C ATOM 760 SD MET A 51 -11.217 5.076 2.268 1.00 0.00 S ATOM 761 CE MET A 51 -12.056 6.356 1.300 1.00 0.00 C ATOM 0 H MET A 51 -8.533 7.340 4.569 1.00 0.00 H new ATOM 0 HA MET A 51 -10.379 5.173 4.821 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.712 5.533 3.367 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.703 4.097 3.201 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.721 6.930 2.641 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.108 5.857 1.399 1.00 0.00 H new ATOM 0 HE1 MET A 51 -13.088 6.057 1.119 1.00 0.00 H new ATOM 0 HE2 MET A 51 -12.042 7.296 1.851 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.543 6.486 0.347 1.00 0.00 H new ATOM 771 N ILE A 52 -7.370 4.786 6.136 1.00 0.00 N ATOM 772 CA ILE A 52 -6.615 3.974 7.078 1.00 0.00 C ATOM 773 C ILE A 52 -7.316 3.973 8.433 1.00 0.00 C ATOM 774 O ILE A 52 -7.435 2.932 9.080 1.00 0.00 O ATOM 775 CB ILE A 52 -5.178 4.515 7.210 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.427 4.256 5.892 1.00 0.00 C ATOM 777 CG2 ILE A 52 -4.451 3.808 8.366 1.00 0.00 C ATOM 778 CD1 ILE A 52 -2.965 4.695 6.019 1.00 0.00 C ATOM 0 H ILE A 52 -6.861 5.588 5.764 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.563 2.949 6.710 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.209 5.585 7.418 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.475 3.197 5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.908 4.799 5.079 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.437 4.198 8.450 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.988 3.988 9.298 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.413 2.736 8.171 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.445 4.506 5.080 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.923 5.760 6.249 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.484 4.132 6.819 1.00 0.00 H new ATOM 790 N ASN A 53 -7.781 5.142 8.849 1.00 0.00 N ATOM 791 CA ASN A 53 -8.474 5.279 10.124 1.00 0.00 C ATOM 792 C ASN A 53 -9.704 4.372 10.176 1.00 0.00 C ATOM 793 O ASN A 53 -10.260 4.128 11.247 1.00 0.00 O ATOM 794 CB ASN A 53 -8.895 6.738 10.326 1.00 0.00 C ATOM 795 CG ASN A 53 -9.725 6.880 11.598 1.00 0.00 C ATOM 796 OD1 ASN A 53 -10.943 7.044 11.529 1.00 0.00 O ATOM 797 ND2 ASN A 53 -9.134 6.832 12.761 1.00 0.00 N ATOM 0 H ASN A 53 -7.691 6.011 8.322 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.794 4.980 10.922 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.011 7.373 10.388 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.473 7.079 9.467 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.682 6.930 13.616 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.125 6.696 12.815 1.00 0.00 H new ATOM 804 N GLU A 54 -10.140 3.890 9.009 1.00 0.00 N ATOM 805 CA GLU A 54 -11.322 3.023 8.933 1.00 0.00 C ATOM 806 C GLU A 54 -10.932 1.544 8.873 1.00 0.00 C ATOM 807 O GLU A 54 -11.330 0.756 9.729 1.00 0.00 O ATOM 808 CB GLU A 54 -12.149 3.387 7.692 1.00 0.00 C ATOM 809 CG GLU A 54 -13.451 2.577 7.687 1.00 0.00 C ATOM 810 CD GLU A 54 -14.317 2.960 6.489 1.00 0.00 C ATOM 811 OE1 GLU A 54 -14.584 4.141 6.328 1.00 0.00 O ATOM 812 OE2 GLU A 54 -14.704 2.068 5.753 1.00 0.00 O ATOM 0 H GLU A 54 -9.698 4.082 8.110 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.913 3.180 9.835 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.372 4.454 7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.577 3.181 6.788 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.223 1.512 7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.000 2.755 8.612 1.00 0.00 H new ATOM 819 N VAL A 55 -10.172 1.166 7.847 1.00 0.00 N ATOM 820 CA VAL A 55 -9.764 -0.229 7.676 1.00 0.00 C ATOM 821 C VAL A 55 -8.896 -0.724 8.840 1.00 0.00 C ATOM 822 O VAL A 55 -8.400 -1.850 8.807 1.00 0.00 O ATOM 823 CB VAL A 55 -9.000 -0.397 6.356 1.00 0.00 C ATOM 824 CG1 VAL A 55 -9.954 -0.149 5.183 1.00 0.00 C ATOM 825 CG2 VAL A 55 -7.829 0.601 6.286 1.00 0.00 C ATOM 0 H VAL A 55 -9.828 1.800 7.126 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.672 -0.832 7.658 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.603 -1.411 6.302 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.414 -0.268 4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.774 -0.866 5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.353 0.863 5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.296 0.471 5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.214 1.619 6.347 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.147 0.421 7.117 1.00 0.00 H new ATOM 835 N ASP A 56 -8.715 0.108 9.861 1.00 0.00 N ATOM 836 CA ASP A 56 -7.901 -0.282 11.016 1.00 0.00 C ATOM 837 C ASP A 56 -8.702 -1.178 11.964 1.00 0.00 C ATOM 838 O ASP A 56 -9.766 -0.793 12.448 1.00 0.00 O ATOM 839 CB ASP A 56 -7.414 0.965 11.755 1.00 0.00 C ATOM 840 CG ASP A 56 -6.306 0.590 12.733 1.00 0.00 C ATOM 841 OD1 ASP A 56 -6.526 -0.298 13.538 1.00 0.00 O ATOM 842 OD2 ASP A 56 -5.249 1.192 12.657 1.00 0.00 O ATOM 0 H ASP A 56 -9.113 1.045 9.916 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.039 -0.845 10.659 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.046 1.701 11.040 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.243 1.427 12.291 1.00 0.00 H new ATOM 847 N ALA A 57 -8.187 -2.385 12.204 1.00 0.00 N ATOM 848 CA ALA A 57 -8.862 -3.349 13.074 1.00 0.00 C ATOM 849 C ALA A 57 -8.844 -2.916 14.543 1.00 0.00 C ATOM 850 O ALA A 57 -9.872 -2.957 15.218 1.00 0.00 O ATOM 851 CB ALA A 57 -8.190 -4.719 12.937 1.00 0.00 C ATOM 0 H ALA A 57 -7.307 -2.718 11.809 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.904 -3.403 12.759 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.693 -5.437 13.585 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.257 -5.055 11.902 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.142 -4.641 13.226 1.00 0.00 H new ATOM 857 N ASP A 58 -7.673 -2.516 15.041 1.00 0.00 N ATOM 858 CA ASP A 58 -7.548 -2.098 16.444 1.00 0.00 C ATOM 859 C ASP A 58 -7.782 -0.595 16.602 1.00 0.00 C ATOM 860 O ASP A 58 -7.847 -0.088 17.721 1.00 0.00 O ATOM 861 CB ASP A 58 -6.150 -2.442 16.966 1.00 0.00 C ATOM 862 CG ASP A 58 -5.977 -3.954 17.067 1.00 0.00 C ATOM 863 OD1 ASP A 58 -6.958 -4.659 16.899 1.00 0.00 O ATOM 864 OD2 ASP A 58 -4.861 -4.388 17.311 1.00 0.00 O ATOM 0 H ASP A 58 -6.807 -2.472 14.505 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.306 -2.630 17.018 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.394 -2.027 16.300 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.998 -1.986 17.944 1.00 0.00 H new ATOM 869 N GLY A 59 -7.886 0.115 15.483 1.00 0.00 N ATOM 870 CA GLY A 59 -8.089 1.562 15.528 1.00 0.00 C ATOM 871 C GLY A 59 -6.786 2.262 15.903 1.00 0.00 C ATOM 872 O GLY A 59 -6.791 3.366 16.452 1.00 0.00 O ATOM 0 H GLY A 59 -7.834 -0.280 14.544 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.437 1.919 14.559 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.864 1.806 16.254 1.00 0.00 H new ATOM 876 N ASN A 60 -5.674 1.597 15.607 1.00 0.00 N ATOM 877 CA ASN A 60 -4.351 2.124 15.913 1.00 0.00 C ATOM 878 C ASN A 60 -3.928 3.151 14.866 1.00 0.00 C ATOM 879 O ASN A 60 -2.930 3.852 15.036 1.00 0.00 O ATOM 880 CB ASN A 60 -3.343 0.968 15.942 1.00 0.00 C ATOM 881 CG ASN A 60 -3.527 0.131 17.208 1.00 0.00 C ATOM 882 OD1 ASN A 60 -3.999 0.635 18.226 1.00 0.00 O ATOM 883 ND2 ASN A 60 -3.183 -1.133 17.198 1.00 0.00 N ATOM 0 H ASN A 60 -5.665 0.684 15.152 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.380 2.615 16.886 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.475 0.340 15.061 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.327 1.362 15.903 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.306 -1.702 18.036 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.792 -1.548 16.353 1.00 0.00 H new ATOM 890 N GLY A 61 -4.691 3.225 13.782 1.00 0.00 N ATOM 891 CA GLY A 61 -4.393 4.158 12.707 1.00 0.00 C ATOM 892 C GLY A 61 -3.290 3.614 11.803 1.00 0.00 C ATOM 893 O GLY A 61 -2.661 4.362 11.054 1.00 0.00 O ATOM 0 H GLY A 61 -5.519 2.650 13.626 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.293 4.341 12.120 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.085 5.116 13.126 1.00 0.00 H new ATOM 897 N THR A 62 -3.057 2.299 11.881 1.00 0.00 N ATOM 898 CA THR A 62 -2.025 1.656 11.070 1.00 0.00 C ATOM 899 C THR A 62 -2.566 0.402 10.390 1.00 0.00 C ATOM 900 O THR A 62 -3.554 -0.181 10.834 1.00 0.00 O ATOM 901 CB THR A 62 -0.839 1.280 11.957 1.00 0.00 C ATOM 902 OG1 THR A 62 -1.239 0.286 12.892 1.00 0.00 O ATOM 903 CG2 THR A 62 -0.345 2.516 12.709 1.00 0.00 C ATOM 0 H THR A 62 -3.568 1.665 12.495 1.00 0.00 H new ATOM 0 HA THR A 62 -1.707 2.358 10.299 1.00 0.00 H new ATOM 0 HB THR A 62 -0.034 0.890 11.334 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.477 0.045 13.459 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.501 2.244 13.340 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.034 3.277 11.993 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.150 2.910 13.330 1.00 0.00 H new ATOM 911 N ILE A 63 -1.898 -0.010 9.308 1.00 0.00 N ATOM 912 CA ILE A 63 -2.304 -1.206 8.563 1.00 0.00 C ATOM 913 C ILE A 63 -1.359 -2.362 8.864 1.00 0.00 C ATOM 914 O ILE A 63 -0.148 -2.267 8.638 1.00 0.00 O ATOM 915 CB ILE A 63 -2.285 -0.920 7.057 1.00 0.00 C ATOM 916 CG1 ILE A 63 -3.095 0.346 6.756 1.00 0.00 C ATOM 917 CG2 ILE A 63 -2.891 -2.101 6.299 1.00 0.00 C ATOM 918 CD1 ILE A 63 -4.495 0.237 7.365 1.00 0.00 C ATOM 0 H ILE A 63 -1.078 0.464 8.930 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.314 -1.476 8.870 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.253 -0.773 6.738 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.582 1.219 7.160 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.170 0.491 5.678 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.875 -1.893 5.229 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.310 -3.001 6.502 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.920 -2.252 6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.060 1.143 7.144 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.010 -0.625 6.941 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.413 0.115 8.445 1.00 0.00 H new ATOM 930 N ASP A 64 -1.923 -3.439 9.401 1.00 0.00 N ATOM 931 CA ASP A 64 -1.137 -4.611 9.766 1.00 0.00 C ATOM 932 C ASP A 64 -0.870 -5.498 8.550 1.00 0.00 C ATOM 933 O ASP A 64 -1.350 -5.232 7.447 1.00 0.00 O ATOM 934 CB ASP A 64 -1.877 -5.411 10.841 1.00 0.00 C ATOM 935 CG ASP A 64 -2.094 -4.544 12.076 1.00 0.00 C ATOM 936 OD1 ASP A 64 -1.322 -3.618 12.269 1.00 0.00 O ATOM 937 OD2 ASP A 64 -3.028 -4.818 12.812 1.00 0.00 O ATOM 0 H ASP A 64 -2.921 -3.524 9.593 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.177 -4.273 10.155 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.836 -5.755 10.455 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.303 -6.299 11.106 1.00 0.00 H new ATOM 942 N PHE A 65 -0.094 -6.553 8.772 1.00 0.00 N ATOM 943 CA PHE A 65 0.253 -7.495 7.717 1.00 0.00 C ATOM 944 C PHE A 65 -0.997 -8.032 6.988 1.00 0.00 C ATOM 945 O PHE A 65 -1.112 -7.889 5.768 1.00 0.00 O ATOM 946 CB PHE A 65 1.076 -8.667 8.327 1.00 0.00 C ATOM 947 CG PHE A 65 0.863 -9.943 7.527 1.00 0.00 C ATOM 948 CD1 PHE A 65 0.881 -9.888 6.131 1.00 0.00 C ATOM 949 CD2 PHE A 65 0.624 -11.162 8.173 1.00 0.00 C ATOM 950 CE1 PHE A 65 0.668 -11.042 5.379 1.00 0.00 C ATOM 951 CE2 PHE A 65 0.408 -12.321 7.416 1.00 0.00 C ATOM 952 CZ PHE A 65 0.430 -12.260 6.018 1.00 0.00 C ATOM 0 H PHE A 65 0.309 -6.777 9.682 1.00 0.00 H new ATOM 0 HA PHE A 65 0.853 -6.971 6.973 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.135 -8.409 8.336 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.778 -8.827 9.363 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.061 -8.947 5.632 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.606 -11.209 9.252 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.687 -10.994 4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 65 0.224 -13.263 7.912 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.263 -13.154 5.435 1.00 0.00 H new ATOM 962 N PRO A 66 -1.880 -8.708 7.686 1.00 0.00 N ATOM 963 CA PRO A 66 -3.086 -9.337 7.064 1.00 0.00 C ATOM 964 C PRO A 66 -3.945 -8.348 6.283 1.00 0.00 C ATOM 965 O PRO A 66 -4.345 -8.613 5.148 1.00 0.00 O ATOM 966 CB PRO A 66 -3.863 -9.921 8.269 1.00 0.00 C ATOM 967 CG PRO A 66 -3.295 -9.249 9.479 1.00 0.00 C ATOM 968 CD PRO A 66 -1.850 -8.940 9.139 1.00 0.00 C ATOM 0 HA PRO A 66 -2.805 -10.087 6.324 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.932 -9.726 8.178 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.740 -11.002 8.327 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.845 -8.338 9.715 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.361 -9.896 10.353 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.490 -8.064 9.678 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.191 -9.768 9.400 1.00 0.00 H new ATOM 976 N GLU A 67 -4.232 -7.219 6.906 1.00 0.00 N ATOM 977 CA GLU A 67 -5.063 -6.207 6.277 1.00 0.00 C ATOM 978 C GLU A 67 -4.502 -5.803 4.921 1.00 0.00 C ATOM 979 O GLU A 67 -5.237 -5.720 3.938 1.00 0.00 O ATOM 980 CB GLU A 67 -5.136 -4.977 7.177 1.00 0.00 C ATOM 981 CG GLU A 67 -5.888 -5.332 8.455 1.00 0.00 C ATOM 982 CD GLU A 67 -5.877 -4.143 9.408 1.00 0.00 C ATOM 983 OE1 GLU A 67 -5.373 -3.103 9.017 1.00 0.00 O ATOM 984 OE2 GLU A 67 -6.364 -4.290 10.516 1.00 0.00 O ATOM 0 H GLU A 67 -3.904 -6.980 7.842 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.059 -6.625 6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.132 -4.628 7.417 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.641 -4.162 6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.915 -5.610 8.218 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.425 -6.196 8.932 1.00 0.00 H new ATOM 991 N PHE A 68 -3.201 -5.546 4.878 1.00 0.00 N ATOM 992 CA PHE A 68 -2.556 -5.142 3.638 1.00 0.00 C ATOM 993 C PHE A 68 -2.682 -6.232 2.585 1.00 0.00 C ATOM 994 O PHE A 68 -3.326 -6.048 1.553 1.00 0.00 O ATOM 995 CB PHE A 68 -1.082 -4.849 3.902 1.00 0.00 C ATOM 996 CG PHE A 68 -0.472 -4.204 2.681 1.00 0.00 C ATOM 997 CD1 PHE A 68 -0.125 -4.987 1.576 1.00 0.00 C ATOM 998 CD2 PHE A 68 -0.246 -2.822 2.660 1.00 0.00 C ATOM 999 CE1 PHE A 68 0.447 -4.391 0.448 1.00 0.00 C ATOM 1000 CE2 PHE A 68 0.326 -2.225 1.529 1.00 0.00 C ATOM 1001 CZ PHE A 68 0.672 -3.012 0.424 1.00 0.00 C ATOM 0 H PHE A 68 -2.576 -5.610 5.682 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.048 -4.244 3.265 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.980 -4.190 4.764 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.554 -5.772 4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.299 -6.053 1.594 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.512 -2.217 3.514 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.715 -4.997 -0.405 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.500 -1.159 1.510 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.113 -2.553 -0.448 1.00 0.00 H new ATOM 1011 N LEU A 69 -2.067 -7.372 2.859 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.114 -8.494 1.938 1.00 0.00 C ATOM 1013 C LEU A 69 -3.540 -8.721 1.441 1.00 0.00 C ATOM 1014 O LEU A 69 -3.750 -9.262 0.356 1.00 0.00 O ATOM 1015 CB LEU A 69 -1.571 -9.750 2.641 1.00 0.00 C ATOM 1016 CG LEU A 69 -1.950 -11.037 1.856 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -0.827 -12.072 1.974 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -3.252 -11.644 2.423 1.00 0.00 C ATOM 0 H LEU A 69 -1.531 -7.543 3.710 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.492 -8.276 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.487 -9.681 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.972 -9.806 3.653 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.098 -10.771 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.101 -12.971 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.094 -11.659 1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.673 -12.324 3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.507 -12.545 1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.108 -11.897 3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.061 -10.919 2.331 1.00 0.00 H new ATOM 1030 N THR A 70 -4.517 -8.325 2.249 1.00 0.00 N ATOM 1031 CA THR A 70 -5.919 -8.512 1.885 1.00 0.00 C ATOM 1032 C THR A 70 -6.444 -7.375 1.009 1.00 0.00 C ATOM 1033 O THR A 70 -6.692 -7.561 -0.181 1.00 0.00 O ATOM 1034 CB THR A 70 -6.759 -8.607 3.158 1.00 0.00 C ATOM 1035 OG1 THR A 70 -6.346 -9.740 3.911 1.00 0.00 O ATOM 1036 CG2 THR A 70 -8.236 -8.747 2.794 1.00 0.00 C ATOM 0 H THR A 70 -4.368 -7.876 3.153 1.00 0.00 H new ATOM 0 HA THR A 70 -5.995 -9.433 1.306 1.00 0.00 H new ATOM 0 HB THR A 70 -6.620 -7.703 3.751 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.791 -9.448 4.664 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.830 -8.814 3.705 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.553 -7.878 2.218 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.380 -9.649 2.199 1.00 0.00 H new ATOM 1044 N MET A 71 -6.628 -6.204 1.605 1.00 0.00 N ATOM 1045 CA MET A 71 -7.147 -5.056 0.867 1.00 0.00 C ATOM 1046 C MET A 71 -6.365 -4.816 -0.423 1.00 0.00 C ATOM 1047 O MET A 71 -6.842 -4.126 -1.321 1.00 0.00 O ATOM 1048 CB MET A 71 -7.137 -3.798 1.746 1.00 0.00 C ATOM 1049 CG MET A 71 -5.712 -3.251 1.894 1.00 0.00 C ATOM 1050 SD MET A 71 -5.739 -1.778 2.945 1.00 0.00 S ATOM 1051 CE MET A 71 -5.650 -2.630 4.536 1.00 0.00 C ATOM 0 H MET A 71 -6.428 -6.023 2.589 1.00 0.00 H new ATOM 0 HA MET A 71 -8.177 -5.281 0.591 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.780 -3.036 1.306 1.00 0.00 H new ATOM 0 HB3 MET A 71 -7.546 -4.032 2.729 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.063 -4.010 2.330 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.302 -3.005 0.915 1.00 0.00 H new ATOM 0 HE1 MET A 71 -5.779 -1.909 5.343 1.00 0.00 H new ATOM 0 HE2 MET A 71 -6.438 -3.381 4.591 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.679 -3.115 4.635 1.00 0.00 H new ATOM 1061 N MET A 72 -5.167 -5.388 -0.517 1.00 0.00 N ATOM 1062 CA MET A 72 -4.346 -5.223 -1.720 1.00 0.00 C ATOM 1063 C MET A 72 -4.693 -6.278 -2.778 1.00 0.00 C ATOM 1064 O MET A 72 -4.529 -6.049 -3.977 1.00 0.00 O ATOM 1065 CB MET A 72 -2.859 -5.281 -1.348 1.00 0.00 C ATOM 1066 CG MET A 72 -2.373 -6.728 -1.282 1.00 0.00 C ATOM 1067 SD MET A 72 -1.926 -7.298 -2.941 1.00 0.00 S ATOM 1068 CE MET A 72 -0.224 -6.682 -2.942 1.00 0.00 C ATOM 0 H MET A 72 -4.745 -5.963 0.213 1.00 0.00 H new ATOM 0 HA MET A 72 -4.559 -4.247 -2.155 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.274 -4.729 -2.083 1.00 0.00 H new ATOM 0 HB3 MET A 72 -2.701 -4.795 -0.385 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.512 -6.803 -0.617 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.153 -7.365 -0.866 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.060 -6.068 -3.828 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.054 -6.082 -2.048 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.468 -7.524 -2.951 1.00 0.00 H new ATOM 1078 N ALA A 73 -5.155 -7.440 -2.315 1.00 0.00 N ATOM 1079 CA ALA A 73 -5.510 -8.543 -3.209 1.00 0.00 C ATOM 1080 C ALA A 73 -6.877 -8.325 -3.852 1.00 0.00 C ATOM 1081 O ALA A 73 -7.488 -9.264 -4.364 1.00 0.00 O ATOM 1082 CB ALA A 73 -5.527 -9.852 -2.417 1.00 0.00 C ATOM 0 H ALA A 73 -5.292 -7.642 -1.325 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.764 -8.589 -4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.791 -10.675 -3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.540 -10.032 -1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.262 -9.782 -1.615 1.00 0.00 H new ATOM 1088 N ARG A 74 -7.357 -7.091 -3.814 1.00 0.00 N ATOM 1089 CA ARG A 74 -8.660 -6.769 -4.389 1.00 0.00 C ATOM 1090 C ARG A 74 -8.532 -6.506 -5.888 1.00 0.00 C ATOM 1091 O ARG A 74 -9.481 -6.066 -6.537 1.00 0.00 O ATOM 1092 CB ARG A 74 -9.237 -5.542 -3.670 1.00 0.00 C ATOM 1093 CG ARG A 74 -9.397 -5.843 -2.166 1.00 0.00 C ATOM 1094 CD ARG A 74 -10.705 -6.603 -1.909 1.00 0.00 C ATOM 1095 NE ARG A 74 -11.839 -5.842 -2.423 1.00 0.00 N ATOM 1096 CZ ARG A 74 -12.408 -4.881 -1.701 1.00 0.00 C ATOM 1097 NH1 ARG A 74 -11.967 -4.614 -0.503 1.00 0.00 N ATOM 1098 NH2 ARG A 74 -13.412 -4.204 -2.188 1.00 0.00 N ATOM 0 H ARG A 74 -6.870 -6.299 -3.395 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.335 -7.614 -4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.579 -4.684 -3.810 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.202 -5.277 -4.102 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.551 -6.433 -1.815 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.393 -4.912 -1.600 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.666 -7.581 -2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.829 -6.777 -0.840 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.202 -6.051 -3.353 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.184 -5.143 -0.118 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.405 -3.876 0.049 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.761 -4.412 -3.124 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.847 -3.467 -1.633 1.00 0.00 H new ATOM 1112 N LYS A 75 -7.347 -6.787 -6.427 1.00 0.00 N ATOM 1113 CA LYS A 75 -7.082 -6.590 -7.851 1.00 0.00 C ATOM 1114 C LYS A 75 -8.001 -7.463 -8.706 1.00 0.00 C ATOM 1115 O LYS A 75 -8.940 -8.080 -8.200 1.00 0.00 O ATOM 1116 CB LYS A 75 -5.617 -6.929 -8.150 1.00 0.00 C ATOM 1117 CG LYS A 75 -4.707 -5.882 -7.497 1.00 0.00 C ATOM 1118 CD LYS A 75 -3.236 -6.311 -7.619 1.00 0.00 C ATOM 1119 CE LYS A 75 -2.732 -6.079 -9.048 1.00 0.00 C ATOM 1120 NZ LYS A 75 -1.255 -6.271 -9.087 1.00 0.00 N ATOM 0 H LYS A 75 -6.555 -7.152 -5.899 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.277 -5.547 -8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.378 -7.922 -7.770 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.450 -6.951 -9.227 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.852 -4.913 -7.975 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.973 -5.762 -6.447 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.626 -5.746 -6.914 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.134 -7.364 -7.356 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.218 -6.772 -9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.988 -5.072 -9.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.910 -6.114 -10.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.800 -5.593 -8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.023 -7.240 -8.790 1.00 0.00 H new ATOM 1134 N MET A 76 -7.722 -7.503 -10.008 1.00 0.00 N ATOM 1135 CA MET A 76 -8.522 -8.298 -10.939 1.00 0.00 C ATOM 1136 C MET A 76 -8.073 -9.757 -10.915 1.00 0.00 C ATOM 1137 O MET A 76 -8.890 -10.675 -10.869 1.00 0.00 O ATOM 1138 CB MET A 76 -8.374 -7.731 -12.356 1.00 0.00 C ATOM 1139 CG MET A 76 -8.750 -6.242 -12.360 1.00 0.00 C ATOM 1140 SD MET A 76 -10.477 -6.036 -11.850 1.00 0.00 S ATOM 1141 CE MET A 76 -11.260 -6.658 -13.361 1.00 0.00 C ATOM 0 H MET A 76 -6.950 -6.996 -10.441 1.00 0.00 H new ATOM 0 HA MET A 76 -9.568 -8.251 -10.636 1.00 0.00 H new ATOM 0 HB2 MET A 76 -7.349 -7.858 -12.704 1.00 0.00 H new ATOM 0 HB3 MET A 76 -9.015 -8.280 -13.046 1.00 0.00 H new ATOM 0 HG2 MET A 76 -8.095 -5.691 -11.685 1.00 0.00 H new ATOM 0 HG3 MET A 76 -8.604 -5.825 -13.356 1.00 0.00 H new ATOM 0 HE1 MET A 76 -12.283 -6.286 -13.420 1.00 0.00 H new ATOM 0 HE2 MET A 76 -10.698 -6.315 -14.230 1.00 0.00 H new ATOM 0 HE3 MET A 76 -11.271 -7.748 -13.343 1.00 0.00 H new ATOM 1151 N LYS A 77 -6.759 -9.953 -10.952 1.00 0.00 N ATOM 1152 CA LYS A 77 -6.173 -11.292 -10.942 1.00 0.00 C ATOM 1153 C LYS A 77 -4.921 -11.296 -10.071 1.00 0.00 C ATOM 1154 O LYS A 77 -4.385 -10.225 -9.840 1.00 0.00 O ATOM 1155 CB LYS A 77 -5.815 -11.703 -12.378 1.00 0.00 C ATOM 1156 CG LYS A 77 -5.364 -13.171 -12.407 1.00 0.00 C ATOM 1157 CD LYS A 77 -5.059 -13.608 -13.856 1.00 0.00 C ATOM 1158 CE LYS A 77 -6.335 -14.107 -14.552 1.00 0.00 C ATOM 1159 NZ LYS A 77 -6.678 -15.474 -14.062 1.00 0.00 N ATOM 1160 OXT LYS A 77 -4.521 -12.365 -9.641 1.00 0.00 O ATOM 0 H LYS A 77 -6.075 -9.198 -10.989 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.892 -12.003 -10.534 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.678 -11.566 -13.030 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.021 -11.062 -12.761 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.477 -13.298 -11.787 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.142 -13.806 -11.984 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.639 -12.771 -14.413 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.308 -14.398 -13.853 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.160 -13.422 -14.354 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.188 -14.124 -15.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.387 -15.901 -14.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.822 -16.065 -14.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.064 -15.411 -13.099 1.00 0.00 H new TER 1174 LYS A 77 ATOM 1175 N GLY B 45 -12.724 9.711 -8.769 1.00 0.00 N ATOM 1176 CA GLY B 45 -11.714 8.941 -7.989 1.00 0.00 C ATOM 1177 C GLY B 45 -12.367 8.373 -6.732 1.00 0.00 C ATOM 1178 O GLY B 45 -13.199 7.468 -6.809 1.00 0.00 O ATOM 0 HA2 GLY B 45 -11.308 8.133 -8.597 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -10.879 9.587 -7.718 1.00 0.00 H new ATOM 1184 N THR B 46 -11.983 8.906 -5.571 1.00 0.00 N ATOM 1185 CA THR B 46 -12.534 8.439 -4.299 1.00 0.00 C ATOM 1186 C THR B 46 -12.651 6.914 -4.294 1.00 0.00 C ATOM 1187 O THR B 46 -13.743 6.362 -4.443 1.00 0.00 O ATOM 1188 CB THR B 46 -13.917 9.061 -4.052 1.00 0.00 C ATOM 1189 OG1 THR B 46 -14.822 8.619 -5.052 1.00 0.00 O ATOM 1190 CG2 THR B 46 -13.824 10.590 -4.094 1.00 0.00 C ATOM 0 H THR B 46 -11.297 9.656 -5.486 1.00 0.00 H new ATOM 0 HA THR B 46 -11.857 8.747 -3.502 1.00 0.00 H new ATOM 0 HB THR B 46 -14.273 8.751 -3.069 1.00 0.00 H new ATOM 0 HG1 THR B 46 -14.496 7.780 -5.441 1.00 0.00 H new ATOM 0 HG21 THR B 46 -14.810 11.019 -3.918 1.00 0.00 H new ATOM 0 HG22 THR B 46 -13.135 10.934 -3.322 1.00 0.00 H new ATOM 0 HG23 THR B 46 -13.460 10.906 -5.072 1.00 0.00 H new ATOM 1198 N GLY B 47 -11.512 6.242 -4.124 1.00 0.00 N ATOM 1199 CA GLY B 47 -11.481 4.782 -4.099 1.00 0.00 C ATOM 1200 C GLY B 47 -10.221 4.278 -3.393 1.00 0.00 C ATOM 1201 O GLY B 47 -9.101 4.488 -3.864 1.00 0.00 O ATOM 0 H GLY B 47 -10.602 6.685 -4.002 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -12.366 4.404 -3.588 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -11.512 4.395 -5.118 1.00 0.00 H new ATOM 1205 N ALA B 48 -10.421 3.628 -2.250 1.00 0.00 N ATOM 1206 CA ALA B 48 -9.315 3.105 -1.448 1.00 0.00 C ATOM 1207 C ALA B 48 -8.512 2.033 -2.197 1.00 0.00 C ATOM 1208 O ALA B 48 -7.282 2.005 -2.120 1.00 0.00 O ATOM 1209 CB ALA B 48 -9.881 2.521 -0.148 1.00 0.00 C ATOM 0 H ALA B 48 -11.344 3.449 -1.855 1.00 0.00 H new ATOM 0 HA ALA B 48 -8.631 3.926 -1.234 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.066 2.127 0.459 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.401 3.302 0.406 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.579 1.717 -0.384 1.00 0.00 H new ATOM 1215 N ALA B 49 -9.206 1.152 -2.912 1.00 0.00 N ATOM 1216 CA ALA B 49 -8.539 0.084 -3.658 1.00 0.00 C ATOM 1217 C ALA B 49 -7.594 0.662 -4.709 1.00 0.00 C ATOM 1218 O ALA B 49 -6.448 0.226 -4.838 1.00 0.00 O ATOM 1219 CB ALA B 49 -9.591 -0.795 -4.342 1.00 0.00 C ATOM 0 H ALA B 49 -10.223 1.154 -2.992 1.00 0.00 H new ATOM 0 HA ALA B 49 -7.954 -0.514 -2.959 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -9.095 -1.591 -4.898 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -10.245 -1.233 -3.588 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -10.182 -0.188 -5.027 1.00 0.00 H new ATOM 1225 N LEU B 50 -8.084 1.640 -5.459 1.00 0.00 N ATOM 1226 CA LEU B 50 -7.282 2.267 -6.499 1.00 0.00 C ATOM 1227 C LEU B 50 -6.074 2.966 -5.876 1.00 0.00 C ATOM 1228 O LEU B 50 -4.958 2.892 -6.382 1.00 0.00 O ATOM 1229 CB LEU B 50 -8.148 3.288 -7.263 1.00 0.00 C ATOM 1230 CG LEU B 50 -7.656 3.427 -8.716 1.00 0.00 C ATOM 1231 CD1 LEU B 50 -6.159 3.759 -8.738 1.00 0.00 C ATOM 1232 CD2 LEU B 50 -7.916 2.109 -9.493 1.00 0.00 C ATOM 0 H LEU B 50 -9.028 2.014 -5.367 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.925 1.505 -7.192 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -9.190 2.970 -7.254 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.106 4.256 -6.764 1.00 0.00 H new ATOM 0 HG LEU B 50 -8.204 4.237 -9.196 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -5.823 3.855 -9.770 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -5.987 4.698 -8.212 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -5.602 2.961 -8.248 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -7.565 2.216 -10.519 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -7.382 1.291 -9.010 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.984 1.893 -9.496 1.00 0.00 H new ATOM 1244 N SER B 51 -6.317 3.650 -4.771 1.00 0.00 N ATOM 1245 CA SER B 51 -5.255 4.371 -4.087 1.00 0.00 C ATOM 1246 C SER B 51 -4.105 3.429 -3.765 1.00 0.00 C ATOM 1247 O SER B 51 -2.934 3.760 -3.969 1.00 0.00 O ATOM 1248 CB SER B 51 -5.808 4.959 -2.791 1.00 0.00 C ATOM 1249 OG SER B 51 -6.862 5.860 -3.097 1.00 0.00 O ATOM 0 H SER B 51 -7.234 3.722 -4.330 1.00 0.00 H new ATOM 0 HA SER B 51 -4.887 5.169 -4.732 1.00 0.00 H new ATOM 0 HB2 SER B 51 -6.172 4.162 -2.143 1.00 0.00 H new ATOM 0 HB3 SER B 51 -5.018 5.477 -2.247 1.00 0.00 H new ATOM 0 HG SER B 51 -7.674 5.354 -3.309 1.00 0.00 H new ATOM 1255 N TRP B 52 -4.454 2.250 -3.274 1.00 0.00 N ATOM 1256 CA TRP B 52 -3.457 1.251 -2.933 1.00 0.00 C ATOM 1257 C TRP B 52 -2.776 0.720 -4.196 1.00 0.00 C ATOM 1258 O TRP B 52 -1.551 0.613 -4.252 1.00 0.00 O ATOM 1259 CB TRP B 52 -4.131 0.102 -2.170 1.00 0.00 C ATOM 1260 CG TRP B 52 -4.353 0.487 -0.736 1.00 0.00 C ATOM 1261 CD1 TRP B 52 -5.562 0.573 -0.131 1.00 0.00 C ATOM 1262 CD2 TRP B 52 -3.364 0.839 0.279 1.00 0.00 C ATOM 1263 NE1 TRP B 52 -5.378 0.947 1.187 1.00 0.00 N ATOM 1264 CE2 TRP B 52 -4.044 1.123 1.489 1.00 0.00 C ATOM 1265 CE3 TRP B 52 -1.961 0.935 0.269 1.00 0.00 C ATOM 1266 CZ2 TRP B 52 -3.355 1.489 2.648 1.00 0.00 C ATOM 1267 CZ3 TRP B 52 -1.265 1.302 1.432 1.00 0.00 C ATOM 1268 CH2 TRP B 52 -1.958 1.578 2.621 1.00 0.00 C ATOM 0 H TRP B 52 -5.418 1.963 -3.104 1.00 0.00 H new ATOM 0 HA TRP B 52 -2.695 1.708 -2.302 1.00 0.00 H new ATOM 0 HB2 TRP B 52 -5.084 -0.145 -2.639 1.00 0.00 H new ATOM 0 HB3 TRP B 52 -3.509 -0.792 -2.221 1.00 0.00 H new ATOM 0 HD1 TRP B 52 -6.515 0.381 -0.602 1.00 0.00 H new ATOM 0 HE1 TRP B 52 -6.137 1.077 1.856 1.00 0.00 H new ATOM 0 HE3 TRP B 52 -1.415 0.725 -0.639 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 -3.896 1.702 3.558 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 -0.187 1.372 1.411 1.00 0.00 H new ATOM 0 HH2 TRP B 52 -1.416 1.858 3.512 1.00 0.00 H new ATOM 1279 N GLN B 53 -3.577 0.385 -5.204 1.00 0.00 N ATOM 1280 CA GLN B 53 -3.040 -0.142 -6.458 1.00 0.00 C ATOM 1281 C GLN B 53 -2.113 0.869 -7.140 1.00 0.00 C ATOM 1282 O GLN B 53 -1.017 0.515 -7.578 1.00 0.00 O ATOM 1283 CB GLN B 53 -4.192 -0.501 -7.405 1.00 0.00 C ATOM 1284 CG GLN B 53 -3.628 -1.096 -8.697 1.00 0.00 C ATOM 1285 CD GLN B 53 -4.757 -1.653 -9.560 1.00 0.00 C ATOM 1286 OE1 GLN B 53 -5.867 -1.871 -9.069 1.00 0.00 O ATOM 1287 NE2 GLN B 53 -4.539 -1.898 -10.824 1.00 0.00 N ATOM 0 H GLN B 53 -4.593 0.468 -5.179 1.00 0.00 H new ATOM 0 HA GLN B 53 -2.458 -1.034 -6.225 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.861 -1.215 -6.925 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.782 0.388 -7.629 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -3.082 -0.331 -9.250 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -2.917 -1.888 -8.461 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -3.620 -1.717 -11.228 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -5.288 -2.271 -11.408 1.00 0.00 H new ATOM 1296 N ALA B 54 -2.554 2.121 -7.231 1.00 0.00 N ATOM 1297 CA ALA B 54 -1.750 3.163 -7.869 1.00 0.00 C ATOM 1298 C ALA B 54 -0.445 3.397 -7.109 1.00 0.00 C ATOM 1299 O ALA B 54 0.602 3.628 -7.714 1.00 0.00 O ATOM 1300 CB ALA B 54 -2.548 4.468 -7.935 1.00 0.00 C ATOM 0 H ALA B 54 -3.456 2.438 -6.875 1.00 0.00 H new ATOM 0 HA ALA B 54 -1.504 2.831 -8.878 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -1.944 5.240 -8.411 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -3.457 4.310 -8.515 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -2.812 4.785 -6.926 1.00 0.00 H new ATOM 1306 N ALA B 55 -0.513 3.341 -5.781 1.00 0.00 N ATOM 1307 CA ALA B 55 0.672 3.550 -4.953 1.00 0.00 C ATOM 1308 C ALA B 55 1.703 2.447 -5.192 1.00 0.00 C ATOM 1309 O ALA B 55 2.904 2.709 -5.265 1.00 0.00 O ATOM 1310 CB ALA B 55 0.269 3.569 -3.477 1.00 0.00 C ATOM 0 H ALA B 55 -1.369 3.154 -5.259 1.00 0.00 H new ATOM 0 HA ALA B 55 1.121 4.506 -5.224 1.00 0.00 H new ATOM 0 HB1 ALA B 55 1.154 3.725 -2.860 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -0.441 4.378 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -0.194 2.618 -3.214 1.00 0.00 H new ATOM 1316 N ILE B 56 1.221 1.213 -5.315 1.00 0.00 N ATOM 1317 CA ILE B 56 2.100 0.070 -5.551 1.00 0.00 C ATOM 1318 C ILE B 56 2.796 0.198 -6.905 1.00 0.00 C ATOM 1319 O ILE B 56 3.997 -0.048 -7.026 1.00 0.00 O ATOM 1320 CB ILE B 56 1.277 -1.225 -5.508 1.00 0.00 C ATOM 1321 CG1 ILE B 56 0.792 -1.470 -4.074 1.00 0.00 C ATOM 1322 CG2 ILE B 56 2.137 -2.409 -5.962 1.00 0.00 C ATOM 1323 CD1 ILE B 56 -0.298 -2.545 -4.077 1.00 0.00 C ATOM 0 H ILE B 56 0.230 0.979 -5.255 1.00 0.00 H new ATOM 0 HA ILE B 56 2.862 0.045 -4.772 1.00 0.00 H new ATOM 0 HB ILE B 56 0.422 -1.128 -6.177 1.00 0.00 H new ATOM 0 HG12 ILE B 56 1.626 -1.785 -3.446 1.00 0.00 H new ATOM 0 HG13 ILE B 56 0.404 -0.545 -3.648 1.00 0.00 H new ATOM 0 HG21 ILE B 56 1.544 -3.323 -5.928 1.00 0.00 H new ATOM 0 HG22 ILE B 56 2.482 -2.238 -6.982 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.997 -2.509 -5.300 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.641 -2.718 -3.057 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -1.135 -2.212 -4.690 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.106 -3.471 -4.486 1.00 0.00 H new ATOM 1335 N ASP B 57 2.029 0.582 -7.919 1.00 0.00 N ATOM 1336 CA ASP B 57 2.568 0.738 -9.264 1.00 0.00 C ATOM 1337 C ASP B 57 3.670 1.796 -9.287 1.00 0.00 C ATOM 1338 O ASP B 57 4.756 1.566 -9.821 1.00 0.00 O ATOM 1339 CB ASP B 57 1.442 1.136 -10.220 1.00 0.00 C ATOM 1340 CG ASP B 57 1.958 1.182 -11.654 1.00 0.00 C ATOM 1341 OD1 ASP B 57 3.158 1.063 -11.835 1.00 0.00 O ATOM 1342 OD2 ASP B 57 1.144 1.329 -12.551 1.00 0.00 O ATOM 0 H ASP B 57 1.034 0.791 -7.835 1.00 0.00 H new ATOM 0 HA ASP B 57 3.000 -0.211 -9.582 1.00 0.00 H new ATOM 0 HB2 ASP B 57 0.622 0.422 -10.144 1.00 0.00 H new ATOM 0 HB3 ASP B 57 1.044 2.111 -9.938 1.00 0.00 H new ATOM 1347 N ALA B 58 3.385 2.953 -8.700 1.00 0.00 N ATOM 1348 CA ALA B 58 4.360 4.035 -8.654 1.00 0.00 C ATOM 1349 C ALA B 58 5.556 3.644 -7.786 1.00 0.00 C ATOM 1350 O ALA B 58 6.698 3.977 -8.101 1.00 0.00 O ATOM 1351 CB ALA B 58 3.702 5.304 -8.106 1.00 0.00 C ATOM 0 H ALA B 58 2.493 3.165 -8.252 1.00 0.00 H new ATOM 0 HA ALA B 58 4.718 4.227 -9.666 1.00 0.00 H new ATOM 0 HB1 ALA B 58 4.436 6.109 -8.074 1.00 0.00 H new ATOM 0 HB2 ALA B 58 2.874 5.593 -8.753 1.00 0.00 H new ATOM 0 HB3 ALA B 58 3.327 5.114 -7.100 1.00 0.00 H new ATOM 1357 N ALA B 59 5.284 2.929 -6.697 1.00 0.00 N ATOM 1358 CA ALA B 59 6.346 2.492 -5.799 1.00 0.00 C ATOM 1359 C ALA B 59 7.288 1.536 -6.525 1.00 0.00 C ATOM 1360 O ALA B 59 8.507 1.605 -6.368 1.00 0.00 O ATOM 1361 CB ALA B 59 5.736 1.796 -4.576 1.00 0.00 C ATOM 0 H ALA B 59 4.346 2.643 -6.418 1.00 0.00 H new ATOM 0 HA ALA B 59 6.914 3.363 -5.471 1.00 0.00 H new ATOM 0 HB1 ALA B 59 6.533 1.471 -3.907 1.00 0.00 H new ATOM 0 HB2 ALA B 59 5.082 2.492 -4.050 1.00 0.00 H new ATOM 0 HB3 ALA B 59 5.159 0.930 -4.900 1.00 0.00 H new ATOM 1367 N ARG B 60 6.709 0.648 -7.322 1.00 0.00 N ATOM 1368 CA ARG B 60 7.492 -0.319 -8.076 1.00 0.00 C ATOM 1369 C ARG B 60 8.398 0.391 -9.087 1.00 0.00 C ATOM 1370 O ARG B 60 9.577 0.066 -9.221 1.00 0.00 O ATOM 1371 CB ARG B 60 6.538 -1.283 -8.805 1.00 0.00 C ATOM 1372 CG ARG B 60 7.152 -2.682 -8.868 1.00 0.00 C ATOM 1373 CD ARG B 60 8.479 -2.624 -9.619 1.00 0.00 C ATOM 1374 NE ARG B 60 8.878 -3.962 -10.021 1.00 0.00 N ATOM 1375 CZ ARG B 60 8.563 -4.455 -11.215 1.00 0.00 C ATOM 1376 NH1 ARG B 60 7.827 -3.763 -12.048 1.00 0.00 N ATOM 1377 NH2 ARG B 60 8.981 -5.643 -11.546 1.00 0.00 N ATOM 0 H ARG B 60 5.701 0.578 -7.462 1.00 0.00 H new ATOM 0 HA ARG B 60 8.125 -0.880 -7.389 1.00 0.00 H new ATOM 0 HB2 ARG B 60 5.580 -1.321 -8.286 1.00 0.00 H new ATOM 0 HB3 ARG B 60 6.340 -0.918 -9.813 1.00 0.00 H new ATOM 0 HG2 ARG B 60 7.309 -3.067 -7.860 1.00 0.00 H new ATOM 0 HG3 ARG B 60 6.469 -3.368 -9.369 1.00 0.00 H new ATOM 0 HD2 ARG B 60 8.383 -1.985 -10.497 1.00 0.00 H new ATOM 0 HD3 ARG B 60 9.247 -2.181 -8.985 1.00 0.00 H new ATOM 0 HE ARG B 60 9.413 -4.538 -9.371 1.00 0.00 H new ATOM 0 HH11 ARG B 60 7.490 -2.837 -11.783 1.00 0.00 H new ATOM 0 HH12 ARG B 60 7.591 -4.150 -12.962 1.00 0.00 H new ATOM 0 HH21 ARG B 60 9.544 -6.186 -10.892 1.00 0.00 H new ATOM 0 HH22 ARG B 60 8.745 -6.031 -12.460 1.00 0.00 H new ATOM 1391 N GLN B 61 7.834 1.363 -9.798 1.00 0.00 N ATOM 1392 CA GLN B 61 8.600 2.102 -10.791 1.00 0.00 C ATOM 1393 C GLN B 61 9.754 2.831 -10.115 1.00 0.00 C ATOM 1394 O GLN B 61 10.874 2.854 -10.626 1.00 0.00 O ATOM 1395 CB GLN B 61 7.696 3.115 -11.507 1.00 0.00 C ATOM 1396 CG GLN B 61 8.507 3.875 -12.562 1.00 0.00 C ATOM 1397 CD GLN B 61 7.587 4.773 -13.389 1.00 0.00 C ATOM 1398 OE1 GLN B 61 6.584 4.307 -13.932 1.00 0.00 O ATOM 1399 NE2 GLN B 61 7.876 6.041 -13.520 1.00 0.00 N ATOM 0 H GLN B 61 6.861 1.653 -9.706 1.00 0.00 H new ATOM 0 HA GLN B 61 8.998 1.400 -11.524 1.00 0.00 H new ATOM 0 HB2 GLN B 61 6.859 2.600 -11.979 1.00 0.00 H new ATOM 0 HB3 GLN B 61 7.274 3.814 -10.785 1.00 0.00 H new ATOM 0 HG2 GLN B 61 9.275 4.477 -12.077 1.00 0.00 H new ATOM 0 HG3 GLN B 61 9.021 3.169 -13.214 1.00 0.00 H new ATOM 0 HE21 GLN B 61 8.707 6.424 -13.069 1.00 0.00 H new ATOM 0 HE22 GLN B 61 7.270 6.648 -14.073 1.00 0.00 H new ATOM 1408 N ALA B 62 9.473 3.414 -8.954 1.00 0.00 N ATOM 1409 CA ALA B 62 10.491 4.135 -8.202 1.00 0.00 C ATOM 1410 C ALA B 62 11.626 3.195 -7.805 1.00 0.00 C ATOM 1411 O ALA B 62 12.803 3.522 -7.964 1.00 0.00 O ATOM 1412 CB ALA B 62 9.867 4.750 -6.947 1.00 0.00 C ATOM 0 H ALA B 62 8.552 3.401 -8.516 1.00 0.00 H new ATOM 0 HA ALA B 62 10.896 4.927 -8.832 1.00 0.00 H new ATOM 0 HB1 ALA B 62 10.632 5.289 -6.387 1.00 0.00 H new ATOM 0 HB2 ALA B 62 9.075 5.441 -7.236 1.00 0.00 H new ATOM 0 HB3 ALA B 62 9.450 3.959 -6.323 1.00 0.00 H new ATOM 1418 N LYS B 63 11.264 2.021 -7.297 1.00 0.00 N ATOM 1419 CA LYS B 63 12.257 1.036 -6.890 1.00 0.00 C ATOM 1420 C LYS B 63 13.076 0.578 -8.091 1.00 0.00 C ATOM 1421 O LYS B 63 14.295 0.437 -8.007 1.00 0.00 O ATOM 1422 CB LYS B 63 11.562 -0.171 -6.248 1.00 0.00 C ATOM 1423 CG LYS B 63 12.612 -1.151 -5.714 1.00 0.00 C ATOM 1424 CD LYS B 63 11.910 -2.331 -5.034 1.00 0.00 C ATOM 1425 CE LYS B 63 12.956 -3.303 -4.486 1.00 0.00 C ATOM 1426 NZ LYS B 63 12.262 -4.451 -3.836 1.00 0.00 N ATOM 0 H LYS B 63 10.296 1.731 -7.158 1.00 0.00 H new ATOM 0 HA LYS B 63 12.926 1.497 -6.163 1.00 0.00 H new ATOM 0 HB2 LYS B 63 10.914 0.160 -5.436 1.00 0.00 H new ATOM 0 HB3 LYS B 63 10.926 -0.668 -6.981 1.00 0.00 H new ATOM 0 HG2 LYS B 63 13.240 -1.509 -6.530 1.00 0.00 H new ATOM 0 HG3 LYS B 63 13.268 -0.647 -5.005 1.00 0.00 H new ATOM 0 HD2 LYS B 63 11.274 -1.972 -4.225 1.00 0.00 H new ATOM 0 HD3 LYS B 63 11.262 -2.842 -5.747 1.00 0.00 H new ATOM 0 HE2 LYS B 63 13.597 -3.659 -5.292 1.00 0.00 H new ATOM 0 HE3 LYS B 63 13.600 -2.797 -3.767 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 12.968 -5.116 -3.461 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 11.668 -4.102 -3.057 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 11.666 -4.937 -4.536 1.00 0.00 H new ATOM 1440 N LEU B 64 12.394 0.329 -9.205 1.00 0.00 N ATOM 1441 CA LEU B 64 13.072 -0.135 -10.406 1.00 0.00 C ATOM 1442 C LEU B 64 14.086 0.902 -10.898 1.00 0.00 C ATOM 1443 O LEU B 64 15.256 0.589 -11.122 1.00 0.00 O ATOM 1444 CB LEU B 64 12.025 -0.407 -11.508 1.00 0.00 C ATOM 1445 CG LEU B 64 12.530 -1.504 -12.466 1.00 0.00 C ATOM 1446 CD1 LEU B 64 13.908 -1.119 -13.018 1.00 0.00 C ATOM 1447 CD2 LEU B 64 12.622 -2.860 -11.717 1.00 0.00 C ATOM 0 H LEU B 64 11.384 0.440 -9.299 1.00 0.00 H new ATOM 0 HA LEU B 64 13.611 -1.053 -10.171 1.00 0.00 H new ATOM 0 HB2 LEU B 64 11.082 -0.715 -11.056 1.00 0.00 H new ATOM 0 HB3 LEU B 64 11.827 0.509 -12.065 1.00 0.00 H new ATOM 0 HG LEU B 64 11.828 -1.603 -13.294 1.00 0.00 H new ATOM 0 HD11 LEU B 64 14.260 -1.898 -13.694 1.00 0.00 H new ATOM 0 HD12 LEU B 64 13.833 -0.176 -13.559 1.00 0.00 H new ATOM 0 HD13 LEU B 64 14.612 -1.009 -12.194 1.00 0.00 H new ATOM 0 HD21 LEU B 64 12.980 -3.630 -12.401 1.00 0.00 H new ATOM 0 HD22 LEU B 64 13.315 -2.767 -10.881 1.00 0.00 H new ATOM 0 HD23 LEU B 64 11.636 -3.137 -11.343 1.00 0.00 H new ATOM 1459 N MET B 65 13.630 2.136 -11.066 1.00 0.00 N ATOM 1460 CA MET B 65 14.504 3.203 -11.538 1.00 0.00 C ATOM 1461 C MET B 65 15.567 3.543 -10.495 1.00 0.00 C ATOM 1462 O MET B 65 16.711 3.837 -10.838 1.00 0.00 O ATOM 1463 CB MET B 65 13.678 4.446 -11.868 1.00 0.00 C ATOM 1464 CG MET B 65 12.800 4.163 -13.093 1.00 0.00 C ATOM 1465 SD MET B 65 11.820 5.632 -13.488 1.00 0.00 S ATOM 1466 CE MET B 65 13.045 6.449 -14.541 1.00 0.00 C ATOM 0 H MET B 65 12.668 2.422 -10.884 1.00 0.00 H new ATOM 0 HA MET B 65 15.010 2.857 -12.439 1.00 0.00 H new ATOM 0 HB2 MET B 65 13.056 4.719 -11.016 1.00 0.00 H new ATOM 0 HB3 MET B 65 14.336 5.292 -12.066 1.00 0.00 H new ATOM 0 HG2 MET B 65 13.423 3.889 -13.944 1.00 0.00 H new ATOM 0 HG3 MET B 65 12.142 3.317 -12.894 1.00 0.00 H new ATOM 0 HE1 MET B 65 12.641 7.395 -14.902 1.00 0.00 H new ATOM 0 HE2 MET B 65 13.951 6.637 -13.966 1.00 0.00 H new ATOM 0 HE3 MET B 65 13.281 5.807 -15.390 1.00 0.00 H new ATOM 1476 N GLY B 66 15.182 3.491 -9.221 1.00 0.00 N ATOM 1477 CA GLY B 66 16.114 3.788 -8.131 1.00 0.00 C ATOM 1478 C GLY B 66 16.141 5.281 -7.795 1.00 0.00 C ATOM 1479 O GLY B 66 17.014 5.740 -7.057 1.00 0.00 O ATOM 0 H GLY B 66 14.239 3.248 -8.918 1.00 0.00 H new ATOM 0 HA2 GLY B 66 15.829 3.221 -7.245 1.00 0.00 H new ATOM 0 HA3 GLY B 66 17.115 3.460 -8.410 1.00 0.00 H new ATOM 1483 N SER B 67 15.185 6.034 -8.332 1.00 0.00 N ATOM 1484 CA SER B 67 15.120 7.470 -8.068 1.00 0.00 C ATOM 1485 C SER B 67 14.537 7.738 -6.680 1.00 0.00 C ATOM 1486 O SER B 67 13.914 6.863 -6.078 1.00 0.00 O ATOM 1487 CB SER B 67 14.256 8.163 -9.124 1.00 0.00 C ATOM 1488 OG SER B 67 12.887 8.047 -8.760 1.00 0.00 O ATOM 0 H SER B 67 14.452 5.680 -8.946 1.00 0.00 H new ATOM 0 HA SER B 67 16.134 7.869 -8.110 1.00 0.00 H new ATOM 0 HB2 SER B 67 14.535 9.214 -9.206 1.00 0.00 H new ATOM 0 HB3 SER B 67 14.424 7.711 -10.102 1.00 0.00 H new ATOM 0 HG SER B 67 12.331 8.491 -9.433 1.00 0.00 H new ATOM 1494 N ALA B 68 14.746 8.954 -6.183 1.00 0.00 N ATOM 1495 CA ALA B 68 14.239 9.336 -4.869 1.00 0.00 C ATOM 1496 C ALA B 68 14.784 8.409 -3.788 1.00 0.00 C ATOM 1497 O ALA B 68 14.054 8.130 -2.850 1.00 0.00 O ATOM 1498 CB ALA B 68 12.709 9.291 -4.866 1.00 0.00 C ATOM 1499 OXT ALA B 68 15.925 7.995 -3.909 1.00 0.00 O ATOM 0 H ALA B 68 15.261 9.689 -6.668 1.00 0.00 H new ATOM 0 HA ALA B 68 14.572 10.352 -4.655 1.00 0.00 H new ATOM 0 HB1 ALA B 68 12.339 9.577 -3.882 1.00 0.00 H new ATOM 0 HB2 ALA B 68 12.323 9.983 -5.614 1.00 0.00 H new ATOM 0 HB3 ALA B 68 12.374 8.280 -5.100 1.00 0.00 H new TER 1505 ALA B 68 HETATM 1506 CA CA A 101 4.862 2.225 11.583 1.00 0.00 CA HETATM 1507 CA CA A 102 -3.876 -2.172 12.646 1.00 0.00 CA