USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 563 hydrogens (1 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 71 MET CE :methyl -137:sc= -0.0121 (180deg=-0.103) USER MOD Set 1.2: A 72 MET CE :methyl -179:sc= 0 (180deg=-6.54e-05) USER MOD Set 2.1: A 60 ASN : amide:sc= -3.37 K(o=-4.3,f=-11!) USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= -0.928 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.6!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 8 GLN : amide:sc= -1.86 K(o=-1.9,f=0.17!) USER MOD Single : A 13 LYS NZ :NH3+ 146:sc= -0.21 (180deg=-1.41!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.158) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 30 LYS NZ :NH3+ -154:sc= -0.0518 (180deg=-0.436) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00318 USER MOD Single : A 36 MET CE :methyl 166:sc= -4.51! (180deg=-5.32!) USER MOD Single : A 38 SER OG : rot -15:sc= 0.17 USER MOD Single : A 41 GLN : amide:sc= -1.23 K(o=-1.2,f=-3.2!) USER MOD Single : A 42 ASN : amide:sc= -1.06 K(o=-1.1,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -142:sc= -0.552 (180deg=-1.25) USER MOD Single : A 53 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.0044) USER MOD Single : A 70 THR OG1 : rot -23:sc= 0.376 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 132:sc= -0.919 (180deg=-2.86!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 48.626 16.458 16.459 1.00 0.95 N ATOM 2 CA ALA A 1 48.002 15.140 16.319 1.00 0.57 C ATOM 3 C ALA A 1 46.524 15.402 16.238 1.00 0.53 C ATOM 4 O ALA A 1 45.865 15.573 17.260 1.00 0.84 O ATOM 5 CB ALA A 1 48.327 14.302 17.557 1.00 1.25 C ATOM 0 H1 ALA A 1 49.658 16.349 16.521 1.00 0.95 H new ATOM 0 H2 ALA A 1 48.389 17.044 15.633 1.00 0.95 H new ATOM 0 H3 ALA A 1 48.274 16.919 17.323 1.00 0.95 H new ATOM 0 HA ALA A 1 48.357 14.598 15.443 1.00 0.57 H new ATOM 0 HB1 ALA A 1 47.866 13.319 17.462 1.00 1.25 H new ATOM 0 HB2 ALA A 1 49.407 14.190 17.647 1.00 1.25 H new ATOM 0 HB3 ALA A 1 47.939 14.800 18.446 1.00 1.25 H new ATOM 13 N ASP A 2 46.105 15.595 14.981 1.00 0.01 N ATOM 14 CA ASP A 2 44.682 15.787 14.733 1.00 0.02 C ATOM 15 C ASP A 2 43.998 14.446 14.640 1.00 0.00 C ATOM 16 O ASP A 2 43.258 14.067 15.541 1.00 0.01 O ATOM 17 CB ASP A 2 44.425 16.665 13.492 1.00 1.81 C ATOM 18 CG ASP A 2 45.418 16.391 12.379 1.00 2.29 C ATOM 19 OD1 ASP A 2 46.526 16.933 12.452 1.00 2.17 O ATOM 20 OD2 ASP A 2 45.076 15.651 11.462 1.00 2.99 O ATOM 0 H ASP A 2 46.705 15.621 14.157 1.00 0.01 H new ATOM 0 HA ASP A 2 44.252 16.332 15.573 1.00 0.02 H new ATOM 0 HB2 ASP A 2 43.414 16.486 13.126 1.00 1.81 H new ATOM 0 HB3 ASP A 2 44.481 17.716 13.775 1.00 1.81 H new ATOM 25 N GLN A 3 44.342 13.748 13.548 1.00 0.01 N ATOM 26 CA GLN A 3 43.940 12.357 13.417 1.00 0.02 C ATOM 27 C GLN A 3 44.789 11.499 14.303 1.00 0.03 C ATOM 28 O GLN A 3 44.292 10.855 15.222 1.00 0.01 O ATOM 29 CB GLN A 3 44.011 11.904 11.953 1.00 0.03 C ATOM 30 CG GLN A 3 43.083 12.713 11.043 1.00 0.02 C ATOM 31 CD GLN A 3 41.683 12.649 11.610 1.00 0.02 C ATOM 32 OE1 GLN A 3 41.137 11.589 11.864 1.00 0.02 O ATOM 33 NE2 GLN A 3 41.146 13.835 11.877 1.00 0.01 N ATOM 0 H GLN A 3 44.883 14.119 12.767 1.00 0.01 H new ATOM 0 HA GLN A 3 42.902 12.254 13.735 1.00 0.02 H new ATOM 0 HB2 GLN A 3 45.037 11.998 11.596 1.00 0.03 H new ATOM 0 HB3 GLN A 3 43.747 10.848 11.890 1.00 0.03 H new ATOM 0 HG2 GLN A 3 43.420 13.748 10.981 1.00 0.02 H new ATOM 0 HG3 GLN A 3 43.101 12.311 10.030 1.00 0.02 H new ATOM 0 HE21 GLN A 3 41.652 14.689 11.641 1.00 0.01 H new ATOM 0 HE22 GLN A 3 40.228 13.892 12.318 1.00 0.01 H new ATOM 42 N LEU A 4 46.086 11.585 14.017 1.00 0.01 N ATOM 43 CA LEU A 4 47.037 10.834 14.807 1.00 0.01 C ATOM 44 C LEU A 4 48.331 11.612 14.853 1.00 0.02 C ATOM 45 O LEU A 4 48.403 12.767 14.437 1.00 0.01 O ATOM 46 CB LEU A 4 47.232 9.426 14.240 1.00 0.01 C ATOM 47 CG LEU A 4 46.602 8.277 15.044 1.00 0.02 C ATOM 48 CD1 LEU A 4 46.770 8.475 16.553 1.00 0.02 C ATOM 49 CD2 LEU A 4 45.162 7.960 14.634 1.00 0.02 C ATOM 0 H LEU A 4 46.486 12.150 13.268 1.00 0.01 H new ATOM 0 HA LEU A 4 46.663 10.703 15.822 1.00 0.01 H new ATOM 0 HB2 LEU A 4 46.821 9.403 13.231 1.00 0.01 H new ATOM 0 HB3 LEU A 4 48.302 9.237 14.153 1.00 0.01 H new ATOM 0 HG LEU A 4 47.166 7.381 14.784 1.00 0.02 H new ATOM 0 HD11 LEU A 4 46.311 7.641 17.083 1.00 0.02 H new ATOM 0 HD12 LEU A 4 47.831 8.520 16.798 1.00 0.02 H new ATOM 0 HD13 LEU A 4 46.288 9.405 16.854 1.00 0.02 H new ATOM 0 HD21 LEU A 4 44.782 7.140 15.243 1.00 0.02 H new ATOM 0 HD22 LEU A 4 44.539 8.842 14.784 1.00 0.02 H new ATOM 0 HD23 LEU A 4 45.138 7.673 13.583 1.00 0.02 H new ATOM 61 N THR A 5 49.351 10.962 15.430 1.00 0.03 N ATOM 62 CA THR A 5 50.655 11.605 15.391 1.00 0.00 C ATOM 63 C THR A 5 51.116 11.809 13.953 1.00 0.01 C ATOM 64 O THR A 5 50.655 11.137 13.042 1.00 0.00 O ATOM 65 CB THR A 5 51.687 10.815 16.228 1.00 0.01 C ATOM 66 OG1 THR A 5 52.223 9.721 15.494 1.00 0.00 O ATOM 67 CG2 THR A 5 51.093 10.314 17.550 1.00 0.02 C ATOM 0 H THR A 5 49.303 10.056 15.896 1.00 0.03 H new ATOM 0 HA THR A 5 50.566 12.593 15.844 1.00 0.00 H new ATOM 0 HB THR A 5 52.493 11.511 16.460 1.00 0.01 H new ATOM 0 HG1 THR A 5 52.873 9.242 16.049 1.00 0.00 H new ATOM 0 HG21 THR A 5 51.853 9.765 18.105 1.00 0.02 H new ATOM 0 HG22 THR A 5 50.755 11.164 18.142 1.00 0.02 H new ATOM 0 HG23 THR A 5 50.248 9.657 17.343 1.00 0.02 H new ATOM 75 N GLU A 6 52.038 12.779 13.807 1.00 0.02 N ATOM 76 CA GLU A 6 52.616 13.037 12.488 1.00 0.03 C ATOM 77 C GLU A 6 53.081 11.804 11.729 1.00 0.02 C ATOM 78 O GLU A 6 52.956 11.749 10.521 1.00 0.00 O ATOM 79 CB GLU A 6 53.703 14.108 12.612 1.00 0.02 C ATOM 80 CG GLU A 6 54.187 14.699 11.283 1.00 0.03 C ATOM 81 CD GLU A 6 55.505 14.080 10.868 1.00 0.01 C ATOM 82 OE1 GLU A 6 56.505 14.365 11.521 1.00 0.01 O ATOM 83 OE2 GLU A 6 55.526 13.356 9.873 1.00 0.01 O ATOM 0 H GLU A 6 52.385 13.374 14.560 1.00 0.02 H new ATOM 0 HA GLU A 6 51.808 13.411 11.859 1.00 0.03 H new ATOM 0 HB2 GLU A 6 53.324 14.918 13.236 1.00 0.02 H new ATOM 0 HB3 GLU A 6 54.558 13.677 13.133 1.00 0.02 H new ATOM 0 HG2 GLU A 6 53.439 14.526 10.509 1.00 0.03 H new ATOM 0 HG3 GLU A 6 54.302 15.779 11.380 1.00 0.03 H new ATOM 90 N GLU A 7 53.502 10.800 12.517 1.00 0.00 N ATOM 91 CA GLU A 7 53.854 9.502 11.942 1.00 0.03 C ATOM 92 C GLU A 7 52.734 8.978 11.060 1.00 0.02 C ATOM 93 O GLU A 7 52.844 8.868 9.846 1.00 0.02 O ATOM 94 CB GLU A 7 54.146 8.546 13.095 1.00 0.02 C ATOM 95 CG GLU A 7 55.273 9.056 13.993 1.00 0.02 C ATOM 96 CD GLU A 7 56.583 8.571 13.442 1.00 0.02 C ATOM 97 OE1 GLU A 7 56.891 7.417 13.697 1.00 0.02 O ATOM 98 OE2 GLU A 7 57.280 9.339 12.786 1.00 0.02 O ATOM 0 H GLU A 7 53.604 10.864 13.530 1.00 0.00 H new ATOM 0 HA GLU A 7 54.734 9.596 11.306 1.00 0.03 H new ATOM 0 HB2 GLU A 7 53.243 8.409 13.690 1.00 0.02 H new ATOM 0 HB3 GLU A 7 54.416 7.568 12.695 1.00 0.02 H new ATOM 0 HG2 GLU A 7 55.260 10.145 14.034 1.00 0.02 H new ATOM 0 HG3 GLU A 7 55.136 8.697 15.013 1.00 0.02 H new ATOM 105 N GLN A 8 51.590 8.770 11.732 1.00 0.02 N ATOM 106 CA GLN A 8 50.480 8.208 10.974 1.00 0.02 C ATOM 107 C GLN A 8 50.020 9.051 9.810 1.00 0.02 C ATOM 108 O GLN A 8 49.812 8.579 8.699 1.00 0.02 O ATOM 109 CB GLN A 8 49.303 7.900 11.890 1.00 0.02 C ATOM 110 CG GLN A 8 48.202 7.043 11.247 1.00 0.02 C ATOM 111 CD GLN A 8 48.745 5.715 10.733 1.00 0.02 C ATOM 112 OE1 GLN A 8 48.325 5.186 9.710 1.00 0.01 O ATOM 113 NE2 GLN A 8 49.727 5.204 11.469 1.00 0.02 N ATOM 0 H GLN A 8 51.421 8.966 12.719 1.00 0.02 H new ATOM 0 HA GLN A 8 50.871 7.288 10.540 1.00 0.02 H new ATOM 0 HB2 GLN A 8 49.674 7.386 12.777 1.00 0.02 H new ATOM 0 HB3 GLN A 8 48.865 8.840 12.226 1.00 0.02 H new ATOM 0 HG2 GLN A 8 47.415 6.855 11.977 1.00 0.02 H new ATOM 0 HG3 GLN A 8 47.748 7.593 10.423 1.00 0.02 H new ATOM 0 HE21 GLN A 8 50.037 5.687 12.312 1.00 0.02 H new ATOM 0 HE22 GLN A 8 50.170 4.329 11.191 1.00 0.02 H new ATOM 122 N ILE A 9 49.866 10.350 10.094 1.00 0.02 N ATOM 123 CA ILE A 9 49.552 11.286 9.006 1.00 0.02 C ATOM 124 C ILE A 9 50.490 11.168 7.796 1.00 0.02 C ATOM 125 O ILE A 9 50.057 11.089 6.646 1.00 0.01 O ATOM 126 CB ILE A 9 49.509 12.722 9.555 1.00 0.03 C ATOM 127 CG1 ILE A 9 48.447 12.849 10.651 1.00 0.03 C ATOM 128 CG2 ILE A 9 49.237 13.740 8.439 1.00 0.02 C ATOM 129 CD1 ILE A 9 48.448 14.235 11.299 1.00 0.01 C ATOM 0 H ILE A 9 49.949 10.764 11.023 1.00 0.02 H new ATOM 0 HA ILE A 9 48.568 11.015 8.624 1.00 0.02 H new ATOM 0 HB ILE A 9 50.488 12.940 9.983 1.00 0.03 H new ATOM 0 HG12 ILE A 9 47.463 12.649 10.226 1.00 0.03 H new ATOM 0 HG13 ILE A 9 48.624 12.092 11.415 1.00 0.03 H new ATOM 0 HG21 ILE A 9 49.213 14.745 8.861 1.00 0.02 H new ATOM 0 HG22 ILE A 9 50.027 13.679 7.691 1.00 0.02 H new ATOM 0 HG23 ILE A 9 48.277 13.520 7.972 1.00 0.02 H new ATOM 0 HD11 ILE A 9 47.678 14.277 12.070 1.00 0.01 H new ATOM 0 HD12 ILE A 9 49.422 14.426 11.749 1.00 0.01 H new ATOM 0 HD13 ILE A 9 48.244 14.991 10.541 1.00 0.01 H new ATOM 141 N ALA A 10 51.787 11.136 8.118 1.00 0.00 N ATOM 142 CA ALA A 10 52.813 10.942 7.098 1.00 0.02 C ATOM 143 C ALA A 10 52.580 9.681 6.291 1.00 0.00 C ATOM 144 O ALA A 10 52.478 9.709 5.068 1.00 0.02 O ATOM 145 CB ALA A 10 54.208 10.895 7.725 1.00 0.02 C ATOM 0 H ALA A 10 52.145 11.241 9.067 1.00 0.00 H new ATOM 0 HA ALA A 10 52.749 11.796 6.424 1.00 0.02 H new ATOM 0 HB1 ALA A 10 54.954 10.750 6.943 1.00 0.02 H new ATOM 0 HB2 ALA A 10 54.405 11.833 8.245 1.00 0.02 H new ATOM 0 HB3 ALA A 10 54.260 10.069 8.434 1.00 0.02 H new ATOM 151 N GLU A 11 52.390 8.590 7.035 1.00 0.03 N ATOM 152 CA GLU A 11 52.059 7.343 6.360 1.00 0.00 C ATOM 153 C GLU A 11 50.736 7.340 5.631 1.00 0.02 C ATOM 154 O GLU A 11 50.540 6.596 4.672 1.00 0.02 O ATOM 155 CB GLU A 11 52.098 6.170 7.317 1.00 0.02 C ATOM 156 CG GLU A 11 53.522 5.872 7.768 1.00 0.02 C ATOM 157 CD GLU A 11 53.548 5.793 9.275 1.00 0.03 C ATOM 158 OE1 GLU A 11 52.643 5.192 9.857 1.00 0.02 O ATOM 159 OE2 GLU A 11 54.473 6.345 9.859 1.00 0.03 O ATOM 0 H GLU A 11 52.456 8.544 8.052 1.00 0.03 H new ATOM 0 HA GLU A 11 52.833 7.244 5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 11 51.477 6.386 8.186 1.00 0.02 H new ATOM 0 HB3 GLU A 11 51.675 5.289 6.834 1.00 0.02 H new ATOM 0 HG2 GLU A 11 53.866 4.933 7.335 1.00 0.02 H new ATOM 0 HG3 GLU A 11 54.199 6.651 7.419 1.00 0.02 H new ATOM 166 N PHE A 12 49.827 8.230 6.049 1.00 0.00 N ATOM 167 CA PHE A 12 48.633 8.394 5.222 1.00 0.02 C ATOM 168 C PHE A 12 48.982 8.893 3.842 1.00 0.02 C ATOM 169 O PHE A 12 48.403 8.466 2.853 1.00 0.02 O ATOM 170 CB PHE A 12 47.577 9.306 5.860 1.00 0.01 C ATOM 171 CG PHE A 12 46.855 8.682 7.036 1.00 0.02 C ATOM 172 CD1 PHE A 12 46.908 7.290 7.290 1.00 0.02 C ATOM 173 CD2 PHE A 12 46.094 9.536 7.867 1.00 0.02 C ATOM 174 CE1 PHE A 12 46.183 6.753 8.367 1.00 0.01 C ATOM 175 CE2 PHE A 12 45.371 9.002 8.946 1.00 0.02 C ATOM 176 CZ PHE A 12 45.418 7.613 9.183 1.00 0.02 C ATOM 0 H PHE A 12 49.885 8.806 6.889 1.00 0.00 H new ATOM 0 HA PHE A 12 48.193 7.400 5.140 1.00 0.02 H new ATOM 0 HB2 PHE A 12 48.058 10.227 6.189 1.00 0.01 H new ATOM 0 HB3 PHE A 12 46.844 9.582 5.102 1.00 0.01 H new ATOM 0 HD1 PHE A 12 47.502 6.645 6.660 1.00 0.02 H new ATOM 0 HD2 PHE A 12 46.069 10.598 7.672 1.00 0.02 H new ATOM 0 HE1 PHE A 12 46.211 5.692 8.568 1.00 0.01 H new ATOM 0 HE2 PHE A 12 44.787 9.647 9.586 1.00 0.02 H new ATOM 0 HZ PHE A 12 44.856 7.198 10.007 1.00 0.02 H new ATOM 186 N LYS A 13 49.989 9.770 3.793 1.00 0.02 N ATOM 187 CA LYS A 13 50.527 10.142 2.491 1.00 0.02 C ATOM 188 C LYS A 13 51.068 8.949 1.720 1.00 0.02 C ATOM 189 O LYS A 13 50.826 8.815 0.531 1.00 0.02 O ATOM 190 CB LYS A 13 51.554 11.274 2.661 1.00 0.02 C ATOM 191 CG LYS A 13 52.294 11.808 1.425 1.00 0.02 C ATOM 192 CD LYS A 13 53.506 10.994 0.934 1.00 0.00 C ATOM 193 CE LYS A 13 53.302 10.348 -0.445 1.00 0.02 C ATOM 194 NZ LYS A 13 52.834 11.362 -1.394 1.00 0.00 N ATOM 0 H LYS A 13 50.428 10.215 4.599 1.00 0.02 H new ATOM 0 HA LYS A 13 49.713 10.520 1.873 1.00 0.02 H new ATOM 0 HB2 LYS A 13 51.040 12.116 3.125 1.00 0.02 H new ATOM 0 HB3 LYS A 13 52.307 10.930 3.371 1.00 0.02 H new ATOM 0 HG2 LYS A 13 51.579 11.879 0.606 1.00 0.02 H new ATOM 0 HG3 LYS A 13 52.631 12.821 1.643 1.00 0.02 H new ATOM 0 HD2 LYS A 13 54.378 11.647 0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 13 53.726 10.213 1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 13 54.237 9.910 -0.795 1.00 0.02 H new ATOM 0 HE3 LYS A 13 52.577 9.537 -0.375 1.00 0.02 H new ATOM 0 HZ1 LYS A 13 53.220 11.158 -2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 51.795 11.347 -1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 53.155 12.302 -1.085 1.00 0.00 H new ATOM 208 N GLU A 14 51.807 8.083 2.418 1.00 0.00 N ATOM 209 CA GLU A 14 52.283 6.873 1.738 1.00 0.02 C ATOM 210 C GLU A 14 51.157 5.973 1.235 1.00 0.02 C ATOM 211 O GLU A 14 51.175 5.386 0.163 1.00 0.00 O ATOM 212 CB GLU A 14 53.244 6.091 2.632 1.00 0.03 C ATOM 213 CG GLU A 14 54.427 6.932 3.119 1.00 0.03 C ATOM 214 CD GLU A 14 55.473 6.015 3.715 1.00 0.03 C ATOM 215 OE1 GLU A 14 56.191 5.380 2.942 1.00 0.00 O ATOM 216 OE2 GLU A 14 55.566 5.949 4.941 1.00 0.03 O ATOM 0 H GLU A 14 52.078 8.183 3.396 1.00 0.00 H new ATOM 0 HA GLU A 14 52.817 7.214 0.851 1.00 0.02 H new ATOM 0 HB2 GLU A 14 52.699 5.708 3.494 1.00 0.03 H new ATOM 0 HB3 GLU A 14 53.621 5.228 2.083 1.00 0.03 H new ATOM 0 HG2 GLU A 14 54.852 7.499 2.291 1.00 0.03 H new ATOM 0 HG3 GLU A 14 54.093 7.656 3.863 1.00 0.03 H new ATOM 223 N ALA A 15 50.099 5.927 2.046 1.00 0.02 N ATOM 224 CA ALA A 15 48.911 5.166 1.660 1.00 0.03 C ATOM 225 C ALA A 15 48.213 5.734 0.438 1.00 0.02 C ATOM 226 O ALA A 15 47.767 5.008 -0.437 1.00 0.03 O ATOM 227 CB ALA A 15 47.926 5.098 2.826 1.00 0.02 C ATOM 0 H ALA A 15 50.039 6.394 2.951 1.00 0.02 H new ATOM 0 HA ALA A 15 49.255 4.165 1.399 1.00 0.03 H new ATOM 0 HB1 ALA A 15 47.046 4.529 2.526 1.00 0.02 H new ATOM 0 HB2 ALA A 15 48.402 4.609 3.676 1.00 0.02 H new ATOM 0 HB3 ALA A 15 47.627 6.107 3.109 1.00 0.02 H new ATOM 233 N PHE A 16 48.215 7.079 0.426 1.00 0.00 N ATOM 234 CA PHE A 16 47.716 7.792 -0.737 1.00 0.02 C ATOM 235 C PHE A 16 48.434 7.344 -2.001 1.00 0.02 C ATOM 236 O PHE A 16 47.847 6.968 -3.005 1.00 0.02 O ATOM 237 CB PHE A 16 47.824 9.306 -0.491 1.00 0.00 C ATOM 238 CG PHE A 16 47.126 10.076 -1.582 1.00 0.02 C ATOM 239 CD1 PHE A 16 45.793 9.746 -1.915 1.00 0.02 C ATOM 240 CD2 PHE A 16 47.817 11.104 -2.263 1.00 0.02 C ATOM 241 CE1 PHE A 16 45.156 10.427 -2.964 1.00 0.02 C ATOM 242 CE2 PHE A 16 47.173 11.792 -3.309 1.00 0.00 C ATOM 243 CZ PHE A 16 45.852 11.438 -3.659 1.00 0.00 C ATOM 0 H PHE A 16 48.548 7.669 1.189 1.00 0.00 H new ATOM 0 HA PHE A 16 46.663 7.555 -0.891 1.00 0.02 H new ATOM 0 HB2 PHE A 16 47.384 9.554 0.475 1.00 0.00 H new ATOM 0 HB3 PHE A 16 48.873 9.598 -0.448 1.00 0.00 H new ATOM 0 HD1 PHE A 16 45.269 8.977 -1.367 1.00 0.02 H new ATOM 0 HD2 PHE A 16 48.829 11.359 -1.984 1.00 0.02 H new ATOM 0 HE1 PHE A 16 44.141 10.179 -3.237 1.00 0.02 H new ATOM 0 HE2 PHE A 16 47.684 12.582 -3.838 1.00 0.00 H new ATOM 0 HZ PHE A 16 45.365 11.951 -4.475 1.00 0.00 H new ATOM 253 N SER A 17 49.765 7.296 -1.869 1.00 0.00 N ATOM 254 CA SER A 17 50.579 6.764 -2.969 1.00 0.00 C ATOM 255 C SER A 17 50.164 5.367 -3.415 1.00 0.00 C ATOM 256 O SER A 17 50.120 5.018 -4.587 1.00 0.02 O ATOM 257 CB SER A 17 52.043 6.802 -2.524 1.00 0.09 C ATOM 258 OG SER A 17 52.969 6.523 -3.583 1.00 0.17 O ATOM 0 H SER A 17 50.285 7.605 -1.048 1.00 0.00 H new ATOM 0 HA SER A 17 50.426 7.388 -3.850 1.00 0.00 H new ATOM 0 HB2 SER A 17 52.263 7.786 -2.109 1.00 0.09 H new ATOM 0 HB3 SER A 17 52.190 6.078 -1.723 1.00 0.09 H new ATOM 0 HG SER A 17 53.885 6.564 -3.236 1.00 0.17 H new ATOM 264 N LEU A 18 49.838 4.552 -2.401 1.00 0.02 N ATOM 265 CA LEU A 18 49.438 3.190 -2.740 1.00 0.02 C ATOM 266 C LEU A 18 48.287 3.105 -3.713 1.00 0.02 C ATOM 267 O LEU A 18 48.259 2.245 -4.589 1.00 0.03 O ATOM 268 CB LEU A 18 49.117 2.373 -1.492 1.00 0.00 C ATOM 269 CG LEU A 18 50.357 2.033 -0.673 1.00 0.02 C ATOM 270 CD1 LEU A 18 49.989 1.402 0.669 1.00 0.02 C ATOM 271 CD2 LEU A 18 51.330 1.164 -1.472 1.00 0.02 C ATOM 0 H LEU A 18 49.842 4.792 -1.410 1.00 0.02 H new ATOM 0 HA LEU A 18 50.306 2.766 -3.244 1.00 0.02 H new ATOM 0 HB2 LEU A 18 48.417 2.930 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 18 48.617 1.450 -1.786 1.00 0.00 H new ATOM 0 HG LEU A 18 50.872 2.967 -0.450 1.00 0.02 H new ATOM 0 HD11 LEU A 18 50.898 1.173 1.225 1.00 0.02 H new ATOM 0 HD12 LEU A 18 49.378 2.099 1.243 1.00 0.02 H new ATOM 0 HD13 LEU A 18 49.428 0.483 0.497 1.00 0.02 H new ATOM 0 HD21 LEU A 18 52.204 0.939 -0.860 1.00 0.02 H new ATOM 0 HD22 LEU A 18 50.838 0.234 -1.757 1.00 0.02 H new ATOM 0 HD23 LEU A 18 51.643 1.699 -2.369 1.00 0.02 H new ATOM 283 N PHE A 19 47.311 4.004 -3.523 1.00 0.02 N ATOM 284 CA PHE A 19 46.227 4.003 -4.496 1.00 0.00 C ATOM 285 C PHE A 19 46.708 4.579 -5.800 1.00 0.02 C ATOM 286 O PHE A 19 46.822 3.874 -6.795 1.00 0.02 O ATOM 287 CB PHE A 19 45.002 4.760 -3.999 1.00 0.02 C ATOM 288 CG PHE A 19 44.553 4.375 -2.612 1.00 0.02 C ATOM 289 CD1 PHE A 19 43.716 3.251 -2.425 1.00 0.02 C ATOM 290 CD2 PHE A 19 44.960 5.167 -1.516 1.00 0.00 C ATOM 291 CE1 PHE A 19 43.303 2.904 -1.126 1.00 0.02 C ATOM 292 CE2 PHE A 19 44.551 4.820 -0.219 1.00 0.02 C ATOM 293 CZ PHE A 19 43.736 3.683 -0.033 1.00 0.02 C ATOM 0 H PHE A 19 47.252 4.687 -2.768 1.00 0.02 H new ATOM 0 HA PHE A 19 45.922 2.967 -4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 19 45.219 5.828 -4.014 1.00 0.02 H new ATOM 0 HB3 PHE A 19 44.179 4.592 -4.694 1.00 0.02 H new ATOM 0 HD1 PHE A 19 43.396 2.663 -3.273 1.00 0.02 H new ATOM 0 HD2 PHE A 19 45.583 6.035 -1.675 1.00 0.00 H new ATOM 0 HE1 PHE A 19 42.661 2.050 -0.967 1.00 0.02 H new ATOM 0 HE2 PHE A 19 44.857 5.417 0.628 1.00 0.02 H new ATOM 0 HZ PHE A 19 43.438 3.404 0.967 1.00 0.02 H new ATOM 303 N ASP A 20 47.071 5.857 -5.703 1.00 0.03 N ATOM 304 CA ASP A 20 47.460 6.580 -6.903 1.00 0.02 C ATOM 305 C ASP A 20 48.895 6.320 -7.318 1.00 0.00 C ATOM 306 O ASP A 20 49.822 7.104 -7.115 1.00 0.02 O ATOM 307 CB ASP A 20 47.192 8.073 -6.715 1.00 0.02 C ATOM 308 CG ASP A 20 47.192 8.759 -8.062 1.00 0.02 C ATOM 309 OD1 ASP A 20 46.702 8.160 -9.012 1.00 0.02 O ATOM 310 OD2 ASP A 20 47.698 9.877 -8.152 1.00 0.02 O ATOM 0 H ASP A 20 47.103 6.394 -4.837 1.00 0.03 H new ATOM 0 HA ASP A 20 46.848 6.205 -7.723 1.00 0.02 H new ATOM 0 HB2 ASP A 20 46.233 8.221 -6.219 1.00 0.02 H new ATOM 0 HB3 ASP A 20 47.954 8.512 -6.071 1.00 0.02 H new ATOM 315 N LYS A 21 49.073 5.121 -7.898 1.00 0.02 N ATOM 316 CA LYS A 21 50.453 4.740 -8.243 1.00 0.02 C ATOM 317 C LYS A 21 51.078 5.569 -9.354 1.00 0.02 C ATOM 318 O LYS A 21 52.289 5.596 -9.558 1.00 0.02 O ATOM 319 CB LYS A 21 50.605 3.248 -8.598 1.00 0.02 C ATOM 320 CG LYS A 21 50.166 2.818 -10.011 1.00 0.00 C ATOM 321 CD LYS A 21 48.686 2.465 -10.146 1.00 0.02 C ATOM 322 CE LYS A 21 47.966 3.190 -11.284 1.00 0.03 C ATOM 323 NZ LYS A 21 48.604 3.027 -12.583 1.00 0.02 N ATOM 0 H LYS A 21 48.343 4.445 -8.124 1.00 0.02 H new ATOM 0 HA LYS A 21 50.995 4.948 -7.321 1.00 0.02 H new ATOM 0 HB2 LYS A 21 51.652 2.974 -8.470 1.00 0.02 H new ATOM 0 HB3 LYS A 21 50.033 2.667 -7.874 1.00 0.02 H new ATOM 0 HG2 LYS A 21 50.397 3.623 -10.708 1.00 0.00 H new ATOM 0 HG3 LYS A 21 50.759 1.955 -10.313 1.00 0.00 H new ATOM 0 HD2 LYS A 21 48.594 1.390 -10.300 1.00 0.02 H new ATOM 0 HD3 LYS A 21 48.182 2.697 -9.207 1.00 0.02 H new ATOM 0 HE2 LYS A 21 46.941 2.823 -11.345 1.00 0.03 H new ATOM 0 HE3 LYS A 21 47.911 4.253 -11.048 1.00 0.03 H new ATOM 0 HZ1 LYS A 21 47.923 3.254 -13.335 1.00 0.02 H new ATOM 0 HZ2 LYS A 21 49.421 3.667 -12.651 1.00 0.02 H new ATOM 0 HZ3 LYS A 21 48.924 2.044 -12.691 1.00 0.02 H new ATOM 337 N ASP A 22 50.154 6.159 -10.124 1.00 0.00 N ATOM 338 CA ASP A 22 50.581 7.022 -11.223 1.00 0.02 C ATOM 339 C ASP A 22 50.908 8.440 -10.771 1.00 0.02 C ATOM 340 O ASP A 22 51.683 9.157 -11.404 1.00 0.03 O ATOM 341 CB ASP A 22 49.515 6.993 -12.329 1.00 0.00 C ATOM 342 CG ASP A 22 48.146 7.231 -11.722 1.00 0.02 C ATOM 343 OD1 ASP A 22 47.981 8.248 -11.075 1.00 0.02 O ATOM 344 OD2 ASP A 22 47.278 6.378 -11.861 1.00 0.02 O ATOM 0 H ASP A 22 49.145 6.059 -10.011 1.00 0.00 H new ATOM 0 HA ASP A 22 51.517 6.632 -11.622 1.00 0.02 H new ATOM 0 HB2 ASP A 22 49.731 7.757 -13.076 1.00 0.00 H new ATOM 0 HB3 ASP A 22 49.534 6.031 -12.842 1.00 0.00 H new ATOM 349 N GLY A 23 50.345 8.788 -9.597 1.00 0.00 N ATOM 350 CA GLY A 23 50.570 10.149 -9.128 1.00 0.00 C ATOM 351 C GLY A 23 49.826 11.214 -9.929 1.00 0.00 C ATOM 352 O GLY A 23 50.304 12.349 -10.017 1.00 0.02 O ATOM 0 H GLY A 23 49.774 8.189 -9.001 1.00 0.00 H new ATOM 0 HA2 GLY A 23 50.266 10.217 -8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 23 51.638 10.363 -9.164 1.00 0.00 H new ATOM 356 N ASP A 24 48.691 10.810 -10.519 1.00 0.02 N ATOM 357 CA ASP A 24 47.822 11.690 -11.309 1.00 0.01 C ATOM 358 C ASP A 24 46.981 12.645 -10.473 1.00 0.02 C ATOM 359 O ASP A 24 46.390 13.577 -11.012 1.00 0.02 O ATOM 360 CB ASP A 24 46.924 10.909 -12.313 1.00 0.02 C ATOM 361 CG ASP A 24 45.967 9.923 -11.632 1.00 0.02 C ATOM 362 OD1 ASP A 24 45.844 10.009 -10.420 1.00 0.02 O ATOM 363 OD2 ASP A 24 45.395 9.048 -12.296 1.00 0.01 O ATOM 0 H ASP A 24 48.348 9.851 -10.459 1.00 0.02 H new ATOM 0 HA ASP A 24 48.517 12.304 -11.882 1.00 0.01 H new ATOM 0 HB2 ASP A 24 46.344 11.621 -12.900 1.00 0.02 H new ATOM 0 HB3 ASP A 24 47.560 10.364 -13.011 1.00 0.02 H new ATOM 368 N GLY A 25 47.060 12.444 -9.148 1.00 0.02 N ATOM 369 CA GLY A 25 46.228 13.195 -8.214 1.00 0.02 C ATOM 370 C GLY A 25 44.779 12.737 -8.152 1.00 0.02 C ATOM 371 O GLY A 25 43.911 13.496 -7.740 1.00 0.00 O ATOM 0 H GLY A 25 47.689 11.772 -8.709 1.00 0.02 H new ATOM 0 HA2 GLY A 25 46.663 13.119 -7.217 1.00 0.02 H new ATOM 0 HA3 GLY A 25 46.251 14.249 -8.492 1.00 0.02 H new ATOM 375 N THR A 26 44.564 11.495 -8.598 1.00 0.02 N ATOM 376 CA THR A 26 43.226 10.936 -8.724 1.00 0.02 C ATOM 377 C THR A 26 43.240 9.426 -8.526 1.00 0.02 C ATOM 378 O THR A 26 43.823 8.648 -9.261 1.00 0.02 O ATOM 379 CB THR A 26 42.424 11.355 -10.014 1.00 0.01 C ATOM 380 OG1 THR A 26 42.861 10.841 -11.270 1.00 0.02 O ATOM 381 CG2 THR A 26 42.233 12.857 -10.194 1.00 0.00 C ATOM 0 H THR A 26 45.310 10.858 -8.878 1.00 0.02 H new ATOM 0 HA THR A 26 42.661 11.396 -7.913 1.00 0.02 H new ATOM 0 HB THR A 26 41.482 10.865 -9.768 1.00 0.01 H new ATOM 0 HG1 THR A 26 42.277 11.177 -11.982 1.00 0.02 H new ATOM 0 HG21 THR A 26 41.670 13.045 -11.108 1.00 0.00 H new ATOM 0 HG22 THR A 26 41.685 13.259 -9.342 1.00 0.00 H new ATOM 0 HG23 THR A 26 43.207 13.342 -10.261 1.00 0.00 H new ATOM 389 N ILE A 27 42.537 9.026 -7.445 1.00 0.02 N ATOM 390 CA ILE A 27 42.407 7.586 -7.201 1.00 0.02 C ATOM 391 C ILE A 27 41.273 7.030 -8.031 1.00 0.00 C ATOM 392 O ILE A 27 40.102 7.358 -7.857 1.00 0.02 O ATOM 393 CB ILE A 27 42.163 7.292 -5.712 1.00 0.00 C ATOM 394 CG1 ILE A 27 43.365 7.727 -4.875 1.00 0.02 C ATOM 395 CG2 ILE A 27 41.815 5.818 -5.445 1.00 0.02 C ATOM 396 CD1 ILE A 27 43.053 7.692 -3.376 1.00 0.01 C ATOM 0 H ILE A 27 42.080 9.639 -6.770 1.00 0.02 H new ATOM 0 HA ILE A 27 43.341 7.104 -7.489 1.00 0.02 H new ATOM 0 HB ILE A 27 41.293 7.876 -5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 27 44.211 7.073 -5.086 1.00 0.02 H new ATOM 0 HG13 ILE A 27 43.662 8.736 -5.162 1.00 0.02 H new ATOM 0 HG21 ILE A 27 41.653 5.670 -4.377 1.00 0.02 H new ATOM 0 HG22 ILE A 27 40.908 5.554 -5.989 1.00 0.02 H new ATOM 0 HG23 ILE A 27 42.636 5.184 -5.779 1.00 0.02 H new ATOM 0 HD11 ILE A 27 43.932 8.008 -2.814 1.00 0.01 H new ATOM 0 HD12 ILE A 27 42.224 8.366 -3.161 1.00 0.01 H new ATOM 0 HD13 ILE A 27 42.781 6.677 -3.085 1.00 0.01 H new ATOM 408 N THR A 28 41.632 6.166 -8.967 1.00 0.02 N ATOM 409 CA THR A 28 40.597 5.508 -9.740 1.00 0.02 C ATOM 410 C THR A 28 39.988 4.304 -9.054 1.00 0.02 C ATOM 411 O THR A 28 40.521 3.688 -8.134 1.00 0.00 O ATOM 412 CB THR A 28 41.070 5.142 -11.161 1.00 0.02 C ATOM 413 OG1 THR A 28 41.831 3.911 -11.238 1.00 0.01 O ATOM 414 CG2 THR A 28 41.824 6.292 -11.828 1.00 0.02 C ATOM 0 H THR A 28 42.592 5.913 -9.202 1.00 0.02 H new ATOM 0 HA THR A 28 39.804 6.251 -9.823 1.00 0.02 H new ATOM 0 HB THR A 28 40.151 4.961 -11.719 1.00 0.02 H new ATOM 0 HG1 THR A 28 42.093 3.746 -12.168 1.00 0.01 H new ATOM 0 HG21 THR A 28 42.139 5.990 -12.827 1.00 0.02 H new ATOM 0 HG22 THR A 28 41.171 7.162 -11.901 1.00 0.02 H new ATOM 0 HG23 THR A 28 42.701 6.546 -11.233 1.00 0.02 H new ATOM 422 N THR A 29 38.847 3.888 -9.625 1.00 0.01 N ATOM 423 CA THR A 29 38.170 2.750 -8.993 1.00 0.02 C ATOM 424 C THR A 29 39.050 1.492 -8.998 1.00 0.02 C ATOM 425 O THR A 29 39.274 0.706 -8.075 1.00 0.02 O ATOM 426 CB THR A 29 36.843 2.493 -9.724 1.00 0.01 C ATOM 427 OG1 THR A 29 37.062 1.871 -11.011 1.00 0.02 O ATOM 428 CG2 THR A 29 36.017 3.771 -9.914 1.00 0.02 C ATOM 0 H THR A 29 38.404 4.284 -10.454 1.00 0.01 H new ATOM 0 HA THR A 29 37.974 2.992 -7.949 1.00 0.02 H new ATOM 0 HB THR A 29 36.277 1.815 -9.085 1.00 0.01 H new ATOM 0 HG1 THR A 29 36.200 1.718 -11.451 1.00 0.02 H new ATOM 0 HG21 THR A 29 35.090 3.531 -10.436 1.00 0.02 H new ATOM 0 HG22 THR A 29 35.784 4.202 -8.940 1.00 0.02 H new ATOM 0 HG23 THR A 29 36.588 4.490 -10.501 1.00 0.02 H new ATOM 436 N LYS A 30 39.639 1.352 -10.203 1.00 0.02 N ATOM 437 CA LYS A 30 40.517 0.197 -10.377 1.00 0.02 C ATOM 438 C LYS A 30 41.631 0.105 -9.350 1.00 0.01 C ATOM 439 O LYS A 30 42.009 -0.977 -8.892 1.00 0.00 O ATOM 440 CB LYS A 30 41.070 0.166 -11.801 1.00 0.03 C ATOM 441 CG LYS A 30 41.655 -1.183 -12.236 1.00 0.03 C ATOM 442 CD LYS A 30 40.617 -2.311 -12.274 1.00 0.03 C ATOM 443 CE LYS A 30 40.776 -3.325 -11.143 1.00 0.02 C ATOM 444 NZ LYS A 30 42.060 -4.024 -11.304 1.00 0.02 N ATOM 0 H LYS A 30 39.533 1.972 -11.006 1.00 0.02 H new ATOM 0 HA LYS A 30 39.901 -0.686 -10.207 1.00 0.02 H new ATOM 0 HB2 LYS A 30 40.272 0.439 -12.491 1.00 0.03 H new ATOM 0 HB3 LYS A 30 41.844 0.928 -11.891 1.00 0.03 H new ATOM 0 HG2 LYS A 30 42.101 -1.076 -13.225 1.00 0.03 H new ATOM 0 HG3 LYS A 30 42.458 -1.460 -11.553 1.00 0.03 H new ATOM 0 HD2 LYS A 30 39.618 -1.877 -12.224 1.00 0.03 H new ATOM 0 HD3 LYS A 30 40.691 -2.830 -13.230 1.00 0.03 H new ATOM 0 HE2 LYS A 30 40.740 -2.821 -10.177 1.00 0.02 H new ATOM 0 HE3 LYS A 30 39.953 -4.040 -11.160 1.00 0.02 H new ATOM 0 HZ1 LYS A 30 42.002 -4.963 -10.860 1.00 0.02 H new ATOM 0 HZ2 LYS A 30 42.272 -4.133 -12.316 1.00 0.02 H new ATOM 0 HZ3 LYS A 30 42.815 -3.472 -10.850 1.00 0.02 H new ATOM 458 N GLU A 31 42.153 1.316 -9.066 1.00 0.02 N ATOM 459 CA GLU A 31 43.185 1.501 -8.050 1.00 0.01 C ATOM 460 C GLU A 31 42.708 1.208 -6.652 1.00 0.02 C ATOM 461 O GLU A 31 43.399 0.519 -5.903 1.00 0.02 O ATOM 462 CB GLU A 31 43.767 2.901 -8.096 1.00 0.02 C ATOM 463 CG GLU A 31 44.506 3.179 -9.401 1.00 0.02 C ATOM 464 CD GLU A 31 45.003 4.608 -9.410 1.00 0.02 C ATOM 465 OE1 GLU A 31 44.309 5.469 -8.883 1.00 0.00 O ATOM 466 OE2 GLU A 31 46.083 4.838 -9.944 1.00 0.01 O ATOM 0 H GLU A 31 41.869 2.177 -9.533 1.00 0.02 H new ATOM 0 HA GLU A 31 43.959 0.773 -8.294 1.00 0.01 H new ATOM 0 HB2 GLU A 31 42.965 3.629 -7.973 1.00 0.02 H new ATOM 0 HB3 GLU A 31 44.451 3.035 -7.258 1.00 0.02 H new ATOM 0 HG2 GLU A 31 45.345 2.491 -9.509 1.00 0.02 H new ATOM 0 HG3 GLU A 31 43.843 3.009 -10.249 1.00 0.02 H new ATOM 473 N LEU A 32 41.480 1.655 -6.367 1.00 0.02 N ATOM 474 CA LEU A 32 40.833 1.306 -5.105 1.00 0.02 C ATOM 475 C LEU A 32 40.950 -0.186 -4.849 1.00 0.02 C ATOM 476 O LEU A 32 41.380 -0.686 -3.806 1.00 0.00 O ATOM 477 CB LEU A 32 39.367 1.766 -5.165 1.00 0.02 C ATOM 478 CG LEU A 32 38.540 1.652 -3.883 1.00 0.02 C ATOM 479 CD1 LEU A 32 38.195 0.207 -3.516 1.00 0.02 C ATOM 480 CD2 LEU A 32 39.178 2.443 -2.740 1.00 0.00 C ATOM 0 H LEU A 32 40.925 2.249 -6.983 1.00 0.02 H new ATOM 0 HA LEU A 32 41.324 1.810 -4.273 1.00 0.02 H new ATOM 0 HB2 LEU A 32 39.354 2.809 -5.483 1.00 0.02 H new ATOM 0 HB3 LEU A 32 38.865 1.190 -5.942 1.00 0.02 H new ATOM 0 HG LEU A 32 37.574 2.117 -4.080 1.00 0.02 H new ATOM 0 HD11 LEU A 32 37.608 0.195 -2.598 1.00 0.02 H new ATOM 0 HD12 LEU A 32 37.617 -0.245 -4.322 1.00 0.02 H new ATOM 0 HD13 LEU A 32 39.114 -0.360 -3.367 1.00 0.02 H new ATOM 0 HD21 LEU A 32 38.567 2.343 -1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 32 40.178 2.056 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 32 39.244 3.495 -3.018 1.00 0.00 H new ATOM 492 N GLY A 33 40.572 -0.911 -5.908 1.00 0.00 N ATOM 493 CA GLY A 33 40.646 -2.363 -5.825 1.00 0.03 C ATOM 494 C GLY A 33 42.051 -2.867 -5.595 1.00 0.02 C ATOM 495 O GLY A 33 42.315 -3.758 -4.796 1.00 0.02 O ATOM 0 H GLY A 33 40.228 -0.534 -6.791 1.00 0.00 H new ATOM 0 HA2 GLY A 33 40.004 -2.709 -5.015 1.00 0.03 H new ATOM 0 HA3 GLY A 33 40.257 -2.795 -6.747 1.00 0.03 H new ATOM 499 N THR A 34 42.983 -2.240 -6.314 1.00 0.02 N ATOM 500 CA THR A 34 44.396 -2.574 -6.105 1.00 0.02 C ATOM 501 C THR A 34 44.845 -2.522 -4.664 1.00 0.00 C ATOM 502 O THR A 34 45.314 -3.522 -4.123 1.00 0.02 O ATOM 503 CB THR A 34 45.234 -1.699 -7.023 1.00 0.02 C ATOM 504 OG1 THR A 34 44.699 -1.887 -8.335 1.00 0.02 O ATOM 505 CG2 THR A 34 46.738 -2.006 -6.991 1.00 0.02 C ATOM 0 H THR A 34 42.800 -1.526 -7.019 1.00 0.02 H new ATOM 0 HA THR A 34 44.540 -3.623 -6.365 1.00 0.02 H new ATOM 0 HB THR A 34 45.172 -0.663 -6.688 1.00 0.02 H new ATOM 0 HG1 THR A 34 45.203 -1.342 -8.975 1.00 0.02 H new ATOM 0 HG21 THR A 34 47.261 -1.337 -7.674 1.00 0.02 H new ATOM 0 HG22 THR A 34 47.118 -1.861 -5.980 1.00 0.02 H new ATOM 0 HG23 THR A 34 46.905 -3.039 -7.296 1.00 0.02 H new ATOM 513 N VAL A 35 44.608 -1.376 -4.031 1.00 0.01 N ATOM 514 CA VAL A 35 45.068 -1.291 -2.648 1.00 0.02 C ATOM 515 C VAL A 35 44.276 -2.120 -1.678 1.00 0.02 C ATOM 516 O VAL A 35 44.811 -2.883 -0.886 1.00 0.02 O ATOM 517 CB VAL A 35 45.133 0.142 -2.186 1.00 0.02 C ATOM 518 CG1 VAL A 35 45.639 0.330 -0.752 1.00 0.02 C ATOM 519 CG2 VAL A 35 46.038 0.816 -3.181 1.00 0.00 C ATOM 0 H VAL A 35 44.139 -0.555 -4.413 1.00 0.01 H new ATOM 0 HA VAL A 35 46.071 -1.718 -2.654 1.00 0.02 H new ATOM 0 HB VAL A 35 44.131 0.570 -2.150 1.00 0.02 H new ATOM 0 HG11 VAL A 35 45.652 1.392 -0.507 1.00 0.02 H new ATOM 0 HG12 VAL A 35 44.978 -0.194 -0.061 1.00 0.02 H new ATOM 0 HG13 VAL A 35 46.648 -0.074 -0.666 1.00 0.02 H new ATOM 0 HG21 VAL A 35 46.144 1.869 -2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 35 47.018 0.338 -3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 35 45.609 0.729 -4.179 1.00 0.00 H new ATOM 529 N MET A 36 42.952 -2.017 -1.822 1.00 0.02 N ATOM 530 CA MET A 36 42.143 -2.903 -0.975 1.00 0.02 C ATOM 531 C MET A 36 42.566 -4.366 -1.055 1.00 0.00 C ATOM 532 O MET A 36 42.634 -5.122 -0.094 1.00 0.02 O ATOM 533 CB MET A 36 40.659 -2.728 -1.288 1.00 0.02 C ATOM 534 CG MET A 36 40.096 -1.400 -0.769 1.00 0.01 C ATOM 535 SD MET A 36 40.203 -1.248 1.023 1.00 0.01 S ATOM 536 CE MET A 36 41.591 -0.101 1.106 1.00 0.02 C ATOM 0 H MET A 36 42.451 -1.392 -2.454 1.00 0.02 H new ATOM 0 HA MET A 36 42.321 -2.604 0.058 1.00 0.02 H new ATOM 0 HB2 MET A 36 40.511 -2.784 -2.366 1.00 0.02 H new ATOM 0 HB3 MET A 36 40.099 -3.552 -0.846 1.00 0.02 H new ATOM 0 HG2 MET A 36 40.638 -0.575 -1.232 1.00 0.01 H new ATOM 0 HG3 MET A 36 39.054 -1.308 -1.075 1.00 0.01 H new ATOM 0 HE1 MET A 36 41.660 0.314 2.111 1.00 0.02 H new ATOM 0 HE2 MET A 36 42.514 -0.629 0.867 1.00 0.02 H new ATOM 0 HE3 MET A 36 41.439 0.706 0.390 1.00 0.02 H new ATOM 546 N ARG A 37 42.925 -4.725 -2.284 1.00 0.02 N ATOM 547 CA ARG A 37 43.553 -6.019 -2.512 1.00 0.00 C ATOM 548 C ARG A 37 44.902 -6.212 -1.834 1.00 0.01 C ATOM 549 O ARG A 37 45.149 -7.265 -1.262 1.00 0.02 O ATOM 550 CB ARG A 37 43.705 -6.261 -4.006 1.00 0.02 C ATOM 551 CG ARG A 37 43.944 -7.713 -4.352 1.00 0.02 C ATOM 552 CD ARG A 37 42.636 -8.486 -4.498 1.00 0.00 C ATOM 553 NE ARG A 37 42.758 -9.813 -3.890 1.00 0.02 N ATOM 554 CZ ARG A 37 43.452 -10.792 -4.495 1.00 0.02 C ATOM 555 NH1 ARG A 37 44.004 -10.566 -5.687 1.00 0.02 N ATOM 556 NH2 ARG A 37 43.582 -11.972 -3.900 1.00 0.02 N ATOM 0 H ARG A 37 42.795 -4.153 -3.118 1.00 0.02 H new ATOM 0 HA ARG A 37 42.883 -6.746 -2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 37 42.806 -5.915 -4.517 1.00 0.02 H new ATOM 0 HB3 ARG A 37 44.535 -5.663 -4.382 1.00 0.02 H new ATOM 0 HG2 ARG A 37 44.509 -7.776 -5.282 1.00 0.02 H new ATOM 0 HG3 ARG A 37 44.554 -8.175 -3.576 1.00 0.02 H new ATOM 0 HD2 ARG A 37 41.825 -7.934 -4.023 1.00 0.00 H new ATOM 0 HD3 ARG A 37 42.380 -8.584 -5.553 1.00 0.00 H new ATOM 0 HE ARG A 37 42.309 -9.997 -2.993 1.00 0.02 H new ATOM 0 HH11 ARG A 37 43.898 -9.655 -6.134 1.00 0.02 H new ATOM 0 HH12 ARG A 37 44.532 -11.304 -6.153 1.00 0.02 H new ATOM 0 HH21 ARG A 37 43.156 -12.133 -2.987 1.00 0.02 H new ATOM 0 HH22 ARG A 37 44.108 -12.718 -4.356 1.00 0.02 H new ATOM 570 N SER A 38 45.755 -5.179 -1.932 1.00 0.02 N ATOM 571 CA SER A 38 47.106 -5.234 -1.360 1.00 0.02 C ATOM 572 C SER A 38 47.120 -5.491 0.132 1.00 0.02 C ATOM 573 O SER A 38 47.977 -6.166 0.681 1.00 0.02 O ATOM 574 CB SER A 38 47.938 -3.973 -1.693 1.00 0.00 C ATOM 575 OG SER A 38 47.355 -2.777 -1.160 1.00 0.02 O ATOM 0 H SER A 38 45.532 -4.301 -2.400 1.00 0.02 H new ATOM 0 HA SER A 38 47.576 -6.093 -1.839 1.00 0.02 H new ATOM 0 HB2 SER A 38 48.946 -4.091 -1.296 1.00 0.00 H new ATOM 0 HB3 SER A 38 48.031 -3.878 -2.775 1.00 0.00 H new ATOM 0 HG SER A 38 46.430 -2.956 -0.891 1.00 0.02 H new ATOM 581 N LEU A 39 46.082 -4.939 0.767 1.00 0.02 N ATOM 582 CA LEU A 39 45.904 -5.142 2.205 1.00 0.00 C ATOM 583 C LEU A 39 45.478 -6.556 2.581 1.00 0.02 C ATOM 584 O LEU A 39 45.321 -6.889 3.749 1.00 0.03 O ATOM 585 CB LEU A 39 44.908 -4.105 2.732 1.00 0.01 C ATOM 586 CG LEU A 39 45.432 -2.683 3.009 1.00 0.02 C ATOM 587 CD1 LEU A 39 46.426 -2.109 1.994 1.00 0.00 C ATOM 588 CD2 LEU A 39 44.253 -1.732 3.188 1.00 0.02 C ATOM 0 H LEU A 39 45.369 -4.362 0.321 1.00 0.02 H new ATOM 0 HA LEU A 39 46.877 -5.007 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 39 44.093 -4.027 2.013 1.00 0.01 H new ATOM 0 HB3 LEU A 39 44.481 -4.491 3.658 1.00 0.01 H new ATOM 0 HG LEU A 39 46.018 -2.778 3.923 1.00 0.02 H new ATOM 0 HD11 LEU A 39 46.719 -1.105 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 39 47.309 -2.747 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 39 45.958 -2.066 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 39 44.624 -0.726 3.384 1.00 0.02 H new ATOM 0 HD22 LEU A 39 43.649 -1.726 2.280 1.00 0.02 H new ATOM 0 HD23 LEU A 39 43.642 -2.064 4.028 1.00 0.02 H new ATOM 600 N GLY A 40 45.315 -7.376 1.535 1.00 0.02 N ATOM 601 CA GLY A 40 44.974 -8.775 1.724 1.00 0.02 C ATOM 602 C GLY A 40 43.480 -8.959 1.787 1.00 0.01 C ATOM 603 O GLY A 40 42.958 -9.466 2.767 1.00 0.02 O ATOM 0 H GLY A 40 45.415 -7.090 0.561 1.00 0.02 H new ATOM 0 HA2 GLY A 40 45.383 -9.367 0.906 1.00 0.02 H new ATOM 0 HA3 GLY A 40 45.429 -9.144 2.643 1.00 0.02 H new ATOM 607 N GLN A 41 42.818 -8.496 0.713 1.00 0.01 N ATOM 608 CA GLN A 41 41.354 -8.573 0.646 1.00 0.01 C ATOM 609 C GLN A 41 40.926 -8.757 -0.790 1.00 0.02 C ATOM 610 O GLN A 41 41.758 -8.633 -1.678 1.00 0.02 O ATOM 611 CB GLN A 41 40.674 -7.310 1.203 1.00 0.02 C ATOM 612 CG GLN A 41 40.886 -7.024 2.696 1.00 0.00 C ATOM 613 CD GLN A 41 40.437 -8.219 3.515 1.00 0.02 C ATOM 614 OE1 GLN A 41 39.722 -9.095 3.049 1.00 0.02 O ATOM 615 NE2 GLN A 41 40.905 -8.229 4.764 1.00 0.00 N ATOM 0 H GLN A 41 43.263 -8.074 -0.102 1.00 0.01 H new ATOM 0 HA GLN A 41 41.047 -9.420 1.259 1.00 0.01 H new ATOM 0 HB2 GLN A 41 41.032 -6.451 0.636 1.00 0.02 H new ATOM 0 HB3 GLN A 41 39.603 -7.389 1.019 1.00 0.02 H new ATOM 0 HG2 GLN A 41 41.938 -6.813 2.890 1.00 0.00 H new ATOM 0 HG3 GLN A 41 40.323 -6.138 2.990 1.00 0.00 H new ATOM 0 HE21 GLN A 41 41.498 -7.467 5.093 1.00 0.00 H new ATOM 0 HE22 GLN A 41 40.670 -8.999 5.391 1.00 0.00 H new ATOM 624 N ASN A 42 39.637 -9.031 -1.040 1.00 0.02 N ATOM 625 CA ASN A 42 39.203 -9.110 -2.448 1.00 0.01 C ATOM 626 C ASN A 42 37.938 -8.329 -2.722 1.00 0.00 C ATOM 627 O ASN A 42 36.861 -8.789 -2.396 1.00 0.02 O ATOM 628 CB ASN A 42 39.013 -10.569 -2.895 1.00 0.02 C ATOM 629 CG ASN A 42 38.793 -10.680 -4.402 1.00 0.02 C ATOM 630 OD1 ASN A 42 37.703 -10.827 -4.922 1.00 0.02 O ATOM 631 ND2 ASN A 42 39.921 -10.670 -5.109 1.00 0.01 N ATOM 0 H ASN A 42 38.915 -9.193 -0.338 1.00 0.02 H new ATOM 0 HA ASN A 42 40.005 -8.654 -3.029 1.00 0.01 H new ATOM 0 HB2 ASN A 42 39.889 -11.152 -2.612 1.00 0.02 H new ATOM 0 HB3 ASN A 42 38.160 -11.001 -2.371 1.00 0.02 H new ATOM 0 HD21 ASN A 42 39.889 -10.788 -6.122 1.00 0.01 H new ATOM 0 HD22 ASN A 42 40.817 -10.544 -4.638 1.00 0.01 H new ATOM 638 N PRO A 43 38.140 -7.132 -3.324 1.00 0.02 N ATOM 639 CA PRO A 43 36.995 -6.327 -3.713 1.00 0.00 C ATOM 640 C PRO A 43 36.440 -6.784 -5.063 1.00 0.01 C ATOM 641 O PRO A 43 37.175 -7.072 -6.008 1.00 0.01 O ATOM 642 CB PRO A 43 37.621 -4.926 -3.715 1.00 0.02 C ATOM 643 CG PRO A 43 39.054 -5.136 -4.194 1.00 0.02 C ATOM 644 CD PRO A 43 39.423 -6.492 -3.610 1.00 0.01 C ATOM 0 HA PRO A 43 36.120 -6.390 -3.066 1.00 0.00 H new ATOM 0 HB2 PRO A 43 37.078 -4.252 -4.377 1.00 0.02 H new ATOM 0 HB3 PRO A 43 37.598 -4.482 -2.720 1.00 0.02 H new ATOM 0 HG2 PRO A 43 39.119 -5.136 -5.282 1.00 0.02 H new ATOM 0 HG3 PRO A 43 39.718 -4.349 -3.835 1.00 0.02 H new ATOM 0 HD2 PRO A 43 40.011 -7.080 -4.314 1.00 0.01 H new ATOM 0 HD3 PRO A 43 40.023 -6.384 -2.706 1.00 0.01 H new ATOM 652 N THR A 44 35.110 -6.876 -5.095 1.00 0.02 N ATOM 653 CA THR A 44 34.418 -7.149 -6.354 1.00 0.01 C ATOM 654 C THR A 44 34.426 -5.897 -7.225 1.00 0.02 C ATOM 655 O THR A 44 34.748 -4.837 -6.722 1.00 0.02 O ATOM 656 CB THR A 44 33.013 -7.632 -5.975 1.00 0.00 C ATOM 657 OG1 THR A 44 33.171 -8.710 -5.046 1.00 0.01 O ATOM 658 CG2 THR A 44 32.135 -8.082 -7.150 1.00 0.02 C ATOM 0 H THR A 44 34.502 -6.768 -4.283 1.00 0.02 H new ATOM 0 HA THR A 44 34.905 -7.920 -6.952 1.00 0.01 H new ATOM 0 HB THR A 44 32.483 -6.779 -5.550 1.00 0.00 H new ATOM 0 HG1 THR A 44 32.289 -9.044 -4.779 1.00 0.01 H new ATOM 0 HG21 THR A 44 31.163 -8.404 -6.776 1.00 0.02 H new ATOM 0 HG22 THR A 44 32.000 -7.251 -7.842 1.00 0.02 H new ATOM 0 HG23 THR A 44 32.617 -8.911 -7.668 1.00 0.02 H new ATOM 666 N GLU A 45 34.086 -6.008 -8.526 1.00 0.02 N ATOM 667 CA GLU A 45 34.002 -4.780 -9.341 1.00 0.02 C ATOM 668 C GLU A 45 33.118 -3.706 -8.724 1.00 0.02 C ATOM 669 O GLU A 45 33.470 -2.531 -8.674 1.00 0.01 O ATOM 670 CB GLU A 45 33.565 -5.101 -10.779 1.00 0.01 C ATOM 671 CG GLU A 45 34.622 -5.910 -11.551 1.00 0.02 C ATOM 672 CD GLU A 45 34.274 -6.096 -13.028 1.00 0.02 C ATOM 673 OE1 GLU A 45 34.102 -5.095 -13.727 1.00 0.02 O ATOM 674 OE2 GLU A 45 34.225 -7.242 -13.495 1.00 0.02 O ATOM 0 H GLU A 45 33.876 -6.880 -9.012 1.00 0.02 H new ATOM 0 HA GLU A 45 35.009 -4.363 -9.368 1.00 0.02 H new ATOM 0 HB2 GLU A 45 32.630 -5.661 -10.754 1.00 0.01 H new ATOM 0 HB3 GLU A 45 33.365 -4.171 -11.311 1.00 0.01 H new ATOM 0 HG2 GLU A 45 35.586 -5.407 -11.472 1.00 0.02 H new ATOM 0 HG3 GLU A 45 34.734 -6.889 -11.084 1.00 0.02 H new ATOM 681 N ALA A 46 31.998 -4.247 -8.184 1.00 0.00 N ATOM 682 CA ALA A 46 31.085 -3.426 -7.403 1.00 0.01 C ATOM 683 C ALA A 46 31.828 -2.729 -6.291 1.00 0.00 C ATOM 684 O ALA A 46 31.799 -1.535 -6.177 1.00 0.01 O ATOM 685 CB ALA A 46 29.940 -4.261 -6.826 1.00 0.01 C ATOM 0 H ALA A 46 31.723 -5.225 -8.280 1.00 0.00 H new ATOM 0 HA ALA A 46 30.656 -2.678 -8.070 1.00 0.01 H new ATOM 0 HB1 ALA A 46 29.276 -3.618 -6.248 1.00 0.01 H new ATOM 0 HB2 ALA A 46 29.380 -4.723 -7.640 1.00 0.01 H new ATOM 0 HB3 ALA A 46 30.347 -5.038 -6.179 1.00 0.01 H new ATOM 691 N GLU A 47 32.642 -3.506 -5.566 1.00 0.02 N ATOM 692 CA GLU A 47 33.360 -2.820 -4.490 1.00 0.00 C ATOM 693 C GLU A 47 34.260 -1.689 -4.935 1.00 0.00 C ATOM 694 O GLU A 47 34.597 -0.815 -4.161 1.00 0.02 O ATOM 695 CB GLU A 47 34.211 -3.778 -3.677 1.00 0.02 C ATOM 696 CG GLU A 47 33.426 -4.854 -2.938 1.00 0.00 C ATOM 697 CD GLU A 47 32.737 -4.282 -1.723 1.00 0.01 C ATOM 698 OE1 GLU A 47 33.408 -4.075 -0.711 1.00 0.02 O ATOM 699 OE2 GLU A 47 31.531 -4.087 -1.775 1.00 0.02 O ATOM 0 H GLU A 47 32.810 -4.505 -5.683 1.00 0.02 H new ATOM 0 HA GLU A 47 32.554 -2.394 -3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 47 34.927 -4.261 -4.342 1.00 0.02 H new ATOM 0 HB3 GLU A 47 34.787 -3.204 -2.951 1.00 0.02 H new ATOM 0 HG2 GLU A 47 32.686 -5.294 -3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 47 34.099 -5.657 -2.635 1.00 0.00 H new ATOM 706 N LEU A 48 34.693 -1.708 -6.193 1.00 0.01 N ATOM 707 CA LEU A 48 35.514 -0.533 -6.569 1.00 0.02 C ATOM 708 C LEU A 48 34.675 0.738 -6.726 1.00 0.01 C ATOM 709 O LEU A 48 34.960 1.825 -6.252 1.00 0.00 O ATOM 710 CB LEU A 48 36.298 -0.869 -7.839 1.00 0.01 C ATOM 711 CG LEU A 48 37.504 -1.818 -7.703 1.00 0.01 C ATOM 712 CD1 LEU A 48 37.251 -3.180 -7.068 1.00 0.01 C ATOM 713 CD2 LEU A 48 38.115 -2.059 -9.071 1.00 0.02 C ATOM 0 H LEU A 48 34.525 -2.422 -6.902 1.00 0.01 H new ATOM 0 HA LEU A 48 36.214 -0.316 -5.762 1.00 0.02 H new ATOM 0 HB2 LEU A 48 35.604 -1.308 -8.556 1.00 0.01 H new ATOM 0 HB3 LEU A 48 36.654 0.066 -8.272 1.00 0.01 H new ATOM 0 HG LEU A 48 38.163 -1.292 -7.012 1.00 0.01 H new ATOM 0 HD11 LEU A 48 38.183 -3.745 -7.035 1.00 0.01 H new ATOM 0 HD12 LEU A 48 36.872 -3.044 -6.055 1.00 0.01 H new ATOM 0 HD13 LEU A 48 36.517 -3.727 -7.660 1.00 0.01 H new ATOM 0 HD21 LEU A 48 38.968 -2.730 -8.975 1.00 0.02 H new ATOM 0 HD22 LEU A 48 37.371 -2.510 -9.728 1.00 0.02 H new ATOM 0 HD23 LEU A 48 38.445 -1.110 -9.494 1.00 0.02 H new ATOM 725 N GLN A 49 33.560 0.508 -7.445 1.00 0.00 N ATOM 726 CA GLN A 49 32.603 1.600 -7.642 1.00 0.00 C ATOM 727 C GLN A 49 31.977 2.127 -6.354 1.00 0.00 C ATOM 728 O GLN A 49 31.801 3.322 -6.152 1.00 0.02 O ATOM 729 CB GLN A 49 31.514 1.114 -8.603 1.00 0.01 C ATOM 730 CG GLN A 49 30.567 2.202 -9.115 1.00 0.02 C ATOM 731 CD GLN A 49 30.969 2.603 -10.519 1.00 0.02 C ATOM 732 OE1 GLN A 49 30.405 2.176 -11.518 1.00 0.00 O ATOM 733 NE2 GLN A 49 31.996 3.452 -10.587 1.00 0.01 N ATOM 0 H GLN A 49 33.311 -0.381 -7.878 1.00 0.00 H new ATOM 0 HA GLN A 49 33.154 2.445 -8.055 1.00 0.00 H new ATOM 0 HB2 GLN A 49 31.993 0.638 -9.459 1.00 0.01 H new ATOM 0 HB3 GLN A 49 30.924 0.347 -8.101 1.00 0.01 H new ATOM 0 HG2 GLN A 49 29.540 1.837 -9.110 1.00 0.02 H new ATOM 0 HG3 GLN A 49 30.601 3.068 -8.454 1.00 0.02 H new ATOM 0 HE21 GLN A 49 32.440 3.785 -9.731 1.00 0.01 H new ATOM 0 HE22 GLN A 49 32.337 3.768 -11.495 1.00 0.01 H new ATOM 742 N ASP A 50 31.646 1.154 -5.509 1.00 0.01 N ATOM 743 CA ASP A 50 30.900 1.381 -4.287 1.00 0.01 C ATOM 744 C ASP A 50 31.809 1.910 -3.204 1.00 0.00 C ATOM 745 O ASP A 50 31.491 2.843 -2.488 1.00 0.01 O ATOM 746 CB ASP A 50 30.206 0.088 -3.814 1.00 0.01 C ATOM 747 CG ASP A 50 29.082 -0.407 -4.734 1.00 0.00 C ATOM 748 OD1 ASP A 50 29.152 -0.236 -5.955 1.00 0.01 O ATOM 749 OD2 ASP A 50 28.119 -0.983 -4.209 1.00 0.00 O ATOM 0 H ASP A 50 31.894 0.176 -5.661 1.00 0.01 H new ATOM 0 HA ASP A 50 30.131 2.125 -4.496 1.00 0.01 H new ATOM 0 HB2 ASP A 50 30.955 -0.698 -3.722 1.00 0.01 H new ATOM 0 HB3 ASP A 50 29.796 0.255 -2.818 1.00 0.01 H new ATOM 754 N MET A 51 33.008 1.316 -3.114 1.00 0.01 N ATOM 755 CA MET A 51 33.958 1.862 -2.135 1.00 0.02 C ATOM 756 C MET A 51 34.306 3.301 -2.377 1.00 0.02 C ATOM 757 O MET A 51 34.403 4.077 -1.440 1.00 0.01 O ATOM 758 CB MET A 51 35.279 1.121 -2.077 1.00 0.01 C ATOM 759 CG MET A 51 35.310 -0.149 -1.237 1.00 0.01 C ATOM 760 SD MET A 51 33.766 -1.050 -1.270 1.00 0.01 S ATOM 761 CE MET A 51 33.530 -1.015 0.507 1.00 0.01 C ATOM 0 H MET A 51 33.328 0.517 -3.662 1.00 0.01 H new ATOM 0 HA MET A 51 33.415 1.745 -1.197 1.00 0.02 H new ATOM 0 HB2 MET A 51 35.571 0.864 -3.095 1.00 0.01 H new ATOM 0 HB3 MET A 51 36.036 1.804 -1.691 1.00 0.01 H new ATOM 0 HG2 MET A 51 36.109 -0.796 -1.598 1.00 0.01 H new ATOM 0 HG3 MET A 51 35.550 0.110 -0.206 1.00 0.01 H new ATOM 0 HE1 MET A 51 33.106 -1.964 0.837 1.00 0.01 H new ATOM 0 HE2 MET A 51 34.490 -0.856 0.998 1.00 0.01 H new ATOM 0 HE3 MET A 51 32.850 -0.204 0.768 1.00 0.01 H new ATOM 771 N ILE A 52 34.458 3.622 -3.673 1.00 0.02 N ATOM 772 CA ILE A 52 34.597 5.044 -3.985 1.00 0.00 C ATOM 773 C ILE A 52 33.320 5.783 -3.620 1.00 0.02 C ATOM 774 O ILE A 52 33.316 6.686 -2.808 1.00 0.00 O ATOM 775 CB ILE A 52 35.031 5.236 -5.447 1.00 0.01 C ATOM 776 CG1 ILE A 52 36.490 4.766 -5.522 1.00 0.00 C ATOM 777 CG2 ILE A 52 34.888 6.700 -5.891 1.00 0.00 C ATOM 778 CD1 ILE A 52 37.314 5.397 -6.647 1.00 0.02 C ATOM 0 H ILE A 52 34.486 2.974 -4.460 1.00 0.02 H new ATOM 0 HA ILE A 52 35.390 5.483 -3.380 1.00 0.00 H new ATOM 0 HB ILE A 52 34.397 4.661 -6.123 1.00 0.01 H new ATOM 0 HG12 ILE A 52 36.975 4.983 -4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 52 36.502 3.683 -5.646 1.00 0.00 H new ATOM 0 HG21 ILE A 52 35.204 6.798 -6.930 1.00 0.00 H new ATOM 0 HG22 ILE A 52 33.847 7.008 -5.798 1.00 0.00 H new ATOM 0 HG23 ILE A 52 35.512 7.334 -5.261 1.00 0.00 H new ATOM 0 HD11 ILE A 52 38.330 5.003 -6.619 1.00 0.02 H new ATOM 0 HD12 ILE A 52 36.859 5.159 -7.609 1.00 0.02 H new ATOM 0 HD13 ILE A 52 37.340 6.479 -6.516 1.00 0.02 H new ATOM 790 N ASN A 53 32.206 5.250 -4.145 1.00 0.02 N ATOM 791 CA ASN A 53 30.904 5.909 -3.929 1.00 0.02 C ATOM 792 C ASN A 53 30.541 6.253 -2.487 1.00 0.00 C ATOM 793 O ASN A 53 29.884 7.248 -2.197 1.00 0.01 O ATOM 794 CB ASN A 53 29.780 5.066 -4.550 1.00 0.01 C ATOM 795 CG ASN A 53 28.528 5.883 -4.832 1.00 0.02 C ATOM 796 OD1 ASN A 53 27.409 5.566 -4.429 1.00 0.01 O ATOM 797 ND2 ASN A 53 28.760 6.940 -5.625 1.00 0.00 N ATOM 0 H ASN A 53 32.175 4.396 -4.702 1.00 0.02 H new ATOM 0 HA ASN A 53 31.013 6.874 -4.423 1.00 0.02 H new ATOM 0 HB2 ASN A 53 30.136 4.620 -5.479 1.00 0.01 H new ATOM 0 HB3 ASN A 53 29.531 4.246 -3.877 1.00 0.01 H new ATOM 0 HD21 ASN A 53 27.985 7.531 -5.926 1.00 0.00 H new ATOM 0 HD22 ASN A 53 29.711 7.152 -5.927 1.00 0.00 H new ATOM 804 N GLU A 54 30.982 5.346 -1.604 1.00 0.00 N ATOM 805 CA GLU A 54 30.671 5.501 -0.192 1.00 0.00 C ATOM 806 C GLU A 54 31.492 6.566 0.499 1.00 0.01 C ATOM 807 O GLU A 54 31.094 7.069 1.550 1.00 0.00 O ATOM 808 CB GLU A 54 30.790 4.175 0.587 1.00 0.00 C ATOM 809 CG GLU A 54 32.214 3.593 0.644 1.00 0.01 C ATOM 810 CD GLU A 54 32.437 2.560 1.744 1.00 0.01 C ATOM 811 OE1 GLU A 54 31.548 2.313 2.557 1.00 0.01 O ATOM 812 OE2 GLU A 54 33.531 1.995 1.803 1.00 0.01 O ATOM 0 H GLU A 54 31.538 4.524 -1.840 1.00 0.00 H new ATOM 0 HA GLU A 54 29.631 5.827 -0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 54 30.435 4.334 1.605 1.00 0.00 H new ATOM 0 HB3 GLU A 54 30.129 3.439 0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 54 32.443 3.135 -0.318 1.00 0.01 H new ATOM 0 HG3 GLU A 54 32.921 4.411 0.784 1.00 0.01 H new ATOM 819 N VAL A 55 32.663 6.833 -0.090 1.00 0.01 N ATOM 820 CA VAL A 55 33.512 7.852 0.505 1.00 0.02 C ATOM 821 C VAL A 55 33.796 9.017 -0.415 1.00 0.02 C ATOM 822 O VAL A 55 34.691 9.806 -0.144 1.00 0.02 O ATOM 823 CB VAL A 55 34.811 7.257 1.072 1.00 0.01 C ATOM 824 CG1 VAL A 55 34.481 6.374 2.271 1.00 0.01 C ATOM 825 CG2 VAL A 55 35.656 6.512 0.035 1.00 0.01 C ATOM 0 H VAL A 55 33.024 6.383 -0.931 1.00 0.01 H new ATOM 0 HA VAL A 55 32.937 8.259 1.337 1.00 0.02 H new ATOM 0 HB VAL A 55 35.437 8.090 1.391 1.00 0.01 H new ATOM 0 HG11 VAL A 55 35.401 5.951 2.675 1.00 0.01 H new ATOM 0 HG12 VAL A 55 33.989 6.971 3.038 1.00 0.01 H new ATOM 0 HG13 VAL A 55 33.818 5.568 1.958 1.00 0.01 H new ATOM 0 HG21 VAL A 55 36.555 6.121 0.511 1.00 0.01 H new ATOM 0 HG22 VAL A 55 35.078 5.687 -0.381 1.00 0.01 H new ATOM 0 HG23 VAL A 55 35.937 7.197 -0.765 1.00 0.01 H new ATOM 835 N ASP A 56 33.001 9.101 -1.482 1.00 0.01 N ATOM 836 CA ASP A 56 33.173 10.226 -2.394 1.00 0.02 C ATOM 837 C ASP A 56 32.358 11.420 -1.934 1.00 0.02 C ATOM 838 O ASP A 56 31.147 11.352 -1.714 1.00 0.02 O ATOM 839 CB ASP A 56 32.823 9.799 -3.826 1.00 0.02 C ATOM 840 CG ASP A 56 33.262 10.851 -4.824 1.00 0.01 C ATOM 841 OD1 ASP A 56 34.321 11.439 -4.624 1.00 0.01 O ATOM 842 OD2 ASP A 56 32.529 11.094 -5.783 1.00 0.02 O ATOM 0 H ASP A 56 32.266 8.438 -1.727 1.00 0.01 H new ATOM 0 HA ASP A 56 34.218 10.537 -2.389 1.00 0.02 H new ATOM 0 HB2 ASP A 56 33.306 8.849 -4.056 1.00 0.02 H new ATOM 0 HB3 ASP A 56 31.748 9.638 -3.910 1.00 0.02 H new ATOM 847 N ALA A 57 33.084 12.511 -1.711 1.00 0.00 N ATOM 848 CA ALA A 57 32.342 13.636 -1.145 1.00 0.01 C ATOM 849 C ALA A 57 31.773 14.580 -2.180 1.00 0.02 C ATOM 850 O ALA A 57 30.798 15.297 -1.931 1.00 0.00 O ATOM 851 CB ALA A 57 33.200 14.437 -0.169 1.00 0.01 C ATOM 0 H ALA A 57 34.080 12.641 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 57 31.503 13.177 -0.622 1.00 0.01 H new ATOM 0 HB1 ALA A 57 32.617 15.266 0.233 1.00 0.01 H new ATOM 0 HB2 ALA A 57 33.522 13.791 0.647 1.00 0.01 H new ATOM 0 HB3 ALA A 57 34.075 14.828 -0.689 1.00 0.01 H new ATOM 857 N ASP A 58 32.440 14.566 -3.330 1.00 0.01 N ATOM 858 CA ASP A 58 32.030 15.401 -4.462 1.00 0.01 C ATOM 859 C ASP A 58 31.084 14.723 -5.447 1.00 0.02 C ATOM 860 O ASP A 58 30.418 15.364 -6.270 1.00 0.01 O ATOM 861 CB ASP A 58 33.277 15.958 -5.175 1.00 0.02 C ATOM 862 CG ASP A 58 34.258 14.858 -5.565 1.00 0.02 C ATOM 863 OD1 ASP A 58 33.925 13.690 -5.389 1.00 0.01 O ATOM 864 OD2 ASP A 58 35.344 15.175 -6.048 1.00 0.02 O ATOM 0 H ASP A 58 33.263 13.990 -3.506 1.00 0.01 H new ATOM 0 HA ASP A 58 31.444 16.218 -4.041 1.00 0.01 H new ATOM 0 HB2 ASP A 58 32.970 16.502 -6.068 1.00 0.02 H new ATOM 0 HB3 ASP A 58 33.777 16.674 -4.522 1.00 0.02 H new ATOM 869 N GLY A 59 30.988 13.387 -5.300 1.00 0.02 N ATOM 870 CA GLY A 59 30.104 12.713 -6.251 1.00 0.01 C ATOM 871 C GLY A 59 30.707 12.571 -7.652 1.00 0.02 C ATOM 872 O GLY A 59 30.007 12.228 -8.610 1.00 0.02 O ATOM 0 H GLY A 59 31.460 12.808 -4.606 1.00 0.02 H new ATOM 0 HA2 GLY A 59 29.859 11.723 -5.868 1.00 0.01 H new ATOM 0 HA3 GLY A 59 29.169 13.268 -6.321 1.00 0.01 H new ATOM 876 N ASN A 60 32.008 12.874 -7.750 1.00 0.01 N ATOM 877 CA ASN A 60 32.672 12.830 -9.054 1.00 0.02 C ATOM 878 C ASN A 60 32.950 11.432 -9.597 1.00 0.01 C ATOM 879 O ASN A 60 32.847 11.226 -10.808 1.00 0.02 O ATOM 880 CB ASN A 60 33.923 13.727 -9.069 1.00 0.01 C ATOM 881 CG ASN A 60 35.006 13.172 -8.167 1.00 0.02 C ATOM 882 OD1 ASN A 60 34.807 12.181 -7.489 1.00 0.02 O ATOM 883 ND2 ASN A 60 36.148 13.851 -8.191 1.00 0.02 N ATOM 0 H ASN A 60 32.604 13.144 -6.967 1.00 0.01 H new ATOM 0 HA ASN A 60 31.946 13.237 -9.758 1.00 0.02 H new ATOM 0 HB2 ASN A 60 34.302 13.810 -10.088 1.00 0.01 H new ATOM 0 HB3 ASN A 60 33.656 14.733 -8.745 1.00 0.01 H new ATOM 0 HD21 ASN A 60 36.933 13.549 -7.614 1.00 0.02 H new ATOM 0 HD22 ASN A 60 36.240 14.674 -8.786 1.00 0.02 H new ATOM 890 N GLY A 61 33.216 10.501 -8.672 1.00 0.01 N ATOM 891 CA GLY A 61 33.626 9.157 -9.068 1.00 0.01 C ATOM 892 C GLY A 61 35.131 8.935 -9.107 1.00 0.02 C ATOM 893 O GLY A 61 35.612 8.195 -9.970 1.00 0.02 O ATOM 0 H GLY A 61 33.155 10.653 -7.665 1.00 0.01 H new ATOM 0 HA2 GLY A 61 33.185 8.439 -8.377 1.00 0.01 H new ATOM 0 HA3 GLY A 61 33.216 8.943 -10.055 1.00 0.01 H new ATOM 897 N THR A 62 35.794 9.612 -8.150 1.00 0.02 N ATOM 898 CA THR A 62 37.231 9.517 -7.948 1.00 0.02 C ATOM 899 C THR A 62 37.536 9.872 -6.496 1.00 0.02 C ATOM 900 O THR A 62 36.728 10.483 -5.807 1.00 0.02 O ATOM 901 CB THR A 62 38.022 10.427 -8.926 1.00 0.02 C ATOM 902 OG1 THR A 62 37.387 11.685 -9.150 1.00 0.02 O ATOM 903 CG2 THR A 62 38.234 9.808 -10.307 1.00 0.02 C ATOM 0 H THR A 62 35.332 10.243 -7.495 1.00 0.02 H new ATOM 0 HA THR A 62 37.553 8.497 -8.159 1.00 0.02 H new ATOM 0 HB THR A 62 38.979 10.556 -8.421 1.00 0.02 H new ATOM 0 HG1 THR A 62 37.927 12.218 -9.771 1.00 0.02 H new ATOM 0 HG21 THR A 62 38.794 10.502 -10.935 1.00 0.02 H new ATOM 0 HG22 THR A 62 38.793 8.878 -10.207 1.00 0.02 H new ATOM 0 HG23 THR A 62 37.267 9.603 -10.766 1.00 0.02 H new ATOM 911 N ILE A 63 38.740 9.477 -6.044 1.00 0.01 N ATOM 912 CA ILE A 63 39.064 9.785 -4.642 1.00 0.02 C ATOM 913 C ILE A 63 40.392 10.502 -4.493 1.00 0.02 C ATOM 914 O ILE A 63 41.429 10.096 -5.029 1.00 0.01 O ATOM 915 CB ILE A 63 39.058 8.515 -3.763 1.00 0.02 C ATOM 916 CG1 ILE A 63 37.697 7.827 -3.729 1.00 0.02 C ATOM 917 CG2 ILE A 63 39.494 8.786 -2.313 1.00 0.00 C ATOM 918 CD1 ILE A 63 36.654 8.549 -2.875 1.00 0.02 C ATOM 0 H ILE A 63 39.454 8.983 -6.580 1.00 0.01 H new ATOM 0 HA ILE A 63 38.279 10.458 -4.298 1.00 0.02 H new ATOM 0 HB ILE A 63 39.785 7.857 -4.239 1.00 0.02 H new ATOM 0 HG12 ILE A 63 37.320 7.741 -4.748 1.00 0.02 H new ATOM 0 HG13 ILE A 63 37.824 6.813 -3.349 1.00 0.02 H new ATOM 0 HG21 ILE A 63 39.469 7.856 -1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 63 40.507 9.188 -2.307 1.00 0.00 H new ATOM 0 HG23 ILE A 63 38.815 9.507 -1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 63 35.715 7.996 -2.903 1.00 0.02 H new ATOM 0 HD12 ILE A 63 37.007 8.612 -1.846 1.00 0.02 H new ATOM 0 HD13 ILE A 63 36.496 9.554 -3.267 1.00 0.02 H new ATOM 930 N ASP A 64 40.363 11.573 -3.715 1.00 0.01 N ATOM 931 CA ASP A 64 41.615 12.266 -3.475 1.00 0.01 C ATOM 932 C ASP A 64 42.147 12.113 -2.054 1.00 0.02 C ATOM 933 O ASP A 64 41.547 11.545 -1.145 1.00 0.02 O ATOM 934 CB ASP A 64 41.466 13.731 -3.910 1.00 0.01 C ATOM 935 CG ASP A 64 40.463 14.478 -3.045 1.00 0.02 C ATOM 936 OD1 ASP A 64 40.571 14.408 -1.827 1.00 0.01 O ATOM 937 OD2 ASP A 64 39.607 15.168 -3.580 1.00 0.01 O ATOM 0 H ASP A 64 39.536 11.963 -3.262 1.00 0.01 H new ATOM 0 HA ASP A 64 42.385 11.792 -4.084 1.00 0.01 H new ATOM 0 HB2 ASP A 64 42.435 14.227 -3.854 1.00 0.01 H new ATOM 0 HB3 ASP A 64 41.148 13.770 -4.952 1.00 0.01 H new ATOM 942 N PHE A 65 43.342 12.680 -1.828 1.00 0.02 N ATOM 943 CA PHE A 65 43.855 12.625 -0.447 1.00 0.01 C ATOM 944 C PHE A 65 42.970 13.220 0.668 1.00 0.03 C ATOM 945 O PHE A 65 42.757 12.607 1.723 1.00 0.02 O ATOM 946 CB PHE A 65 45.321 13.121 -0.371 1.00 0.00 C ATOM 947 CG PHE A 65 45.745 13.402 1.055 1.00 0.02 C ATOM 948 CD1 PHE A 65 45.927 12.333 1.964 1.00 0.01 C ATOM 949 CD2 PHE A 65 45.917 14.744 1.465 1.00 0.00 C ATOM 950 CE1 PHE A 65 46.250 12.614 3.303 1.00 0.02 C ATOM 951 CE2 PHE A 65 46.241 15.026 2.803 1.00 0.02 C ATOM 952 CZ PHE A 65 46.394 13.957 3.713 1.00 0.02 C ATOM 0 H PHE A 65 43.932 13.146 -2.518 1.00 0.02 H new ATOM 0 HA PHE A 65 43.820 11.561 -0.211 1.00 0.01 H new ATOM 0 HB2 PHE A 65 45.982 12.371 -0.806 1.00 0.00 H new ATOM 0 HB3 PHE A 65 45.430 14.026 -0.968 1.00 0.00 H new ATOM 0 HD1 PHE A 65 45.819 11.311 1.632 1.00 0.01 H new ATOM 0 HD2 PHE A 65 45.800 15.548 0.754 1.00 0.00 H new ATOM 0 HE1 PHE A 65 46.387 11.810 4.011 1.00 0.02 H new ATOM 0 HE2 PHE A 65 46.371 16.047 3.131 1.00 0.02 H new ATOM 0 HZ PHE A 65 46.626 14.172 4.746 1.00 0.02 H new ATOM 962 N PRO A 66 42.508 14.496 0.490 1.00 0.02 N ATOM 963 CA PRO A 66 41.485 14.995 1.417 1.00 0.02 C ATOM 964 C PRO A 66 40.323 14.045 1.735 1.00 0.01 C ATOM 965 O PRO A 66 39.993 13.844 2.902 1.00 0.01 O ATOM 966 CB PRO A 66 41.042 16.333 0.812 1.00 0.02 C ATOM 967 CG PRO A 66 42.108 16.761 -0.197 1.00 0.01 C ATOM 968 CD PRO A 66 42.911 15.502 -0.500 1.00 0.02 C ATOM 0 HA PRO A 66 41.911 15.101 2.415 1.00 0.02 H new ATOM 0 HB2 PRO A 66 40.073 16.230 0.324 1.00 0.02 H new ATOM 0 HB3 PRO A 66 40.928 17.086 1.591 1.00 0.02 H new ATOM 0 HG2 PRO A 66 41.653 17.163 -1.102 1.00 0.01 H new ATOM 0 HG3 PRO A 66 42.746 17.544 0.214 1.00 0.01 H new ATOM 0 HD2 PRO A 66 42.712 15.150 -1.512 1.00 0.02 H new ATOM 0 HD3 PRO A 66 43.981 15.701 -0.436 1.00 0.02 H new ATOM 976 N GLU A 67 39.760 13.436 0.688 1.00 0.02 N ATOM 977 CA GLU A 67 38.653 12.486 0.819 1.00 0.01 C ATOM 978 C GLU A 67 39.064 11.177 1.448 1.00 0.02 C ATOM 979 O GLU A 67 38.336 10.538 2.197 1.00 0.02 O ATOM 980 CB GLU A 67 38.018 12.185 -0.528 1.00 0.02 C ATOM 981 CG GLU A 67 37.366 13.390 -1.205 1.00 0.01 C ATOM 982 CD GLU A 67 36.755 12.970 -2.529 1.00 0.01 C ATOM 983 OE1 GLU A 67 37.198 11.974 -3.098 1.00 0.02 O ATOM 984 OE2 GLU A 67 35.827 13.642 -2.971 1.00 0.00 O ATOM 0 H GLU A 67 40.059 13.588 -0.275 1.00 0.02 H new ATOM 0 HA GLU A 67 37.935 12.976 1.477 1.00 0.01 H new ATOM 0 HB2 GLU A 67 38.781 11.780 -1.193 1.00 0.02 H new ATOM 0 HB3 GLU A 67 37.265 11.408 -0.395 1.00 0.02 H new ATOM 0 HG2 GLU A 67 36.597 13.810 -0.557 1.00 0.01 H new ATOM 0 HG3 GLU A 67 38.108 14.172 -1.368 1.00 0.01 H new ATOM 991 N PHE A 68 40.322 10.822 1.196 1.00 0.01 N ATOM 992 CA PHE A 68 40.872 9.643 1.850 1.00 0.02 C ATOM 993 C PHE A 68 41.006 9.857 3.350 1.00 0.02 C ATOM 994 O PHE A 68 40.771 8.973 4.169 1.00 0.02 O ATOM 995 CB PHE A 68 42.231 9.306 1.214 1.00 0.01 C ATOM 996 CG PHE A 68 42.937 8.189 1.945 1.00 0.02 C ATOM 997 CD1 PHE A 68 42.423 6.875 1.880 1.00 0.02 C ATOM 998 CD2 PHE A 68 44.102 8.482 2.693 1.00 0.02 C ATOM 999 CE1 PHE A 68 43.077 5.843 2.573 1.00 0.02 C ATOM 1000 CE2 PHE A 68 44.760 7.449 3.382 1.00 0.02 C ATOM 1001 CZ PHE A 68 44.243 6.137 3.313 1.00 0.00 C ATOM 0 H PHE A 68 40.957 11.314 0.568 1.00 0.01 H new ATOM 0 HA PHE A 68 40.191 8.804 1.708 1.00 0.02 H new ATOM 0 HB2 PHE A 68 42.083 9.021 0.172 1.00 0.01 H new ATOM 0 HB3 PHE A 68 42.862 10.195 1.214 1.00 0.01 H new ATOM 0 HD1 PHE A 68 41.535 6.666 1.302 1.00 0.02 H new ATOM 0 HD2 PHE A 68 44.483 9.492 2.734 1.00 0.02 H new ATOM 0 HE1 PHE A 68 42.692 4.835 2.540 1.00 0.02 H new ATOM 0 HE2 PHE A 68 45.650 7.656 3.957 1.00 0.02 H new ATOM 0 HZ PHE A 68 44.750 5.341 3.838 1.00 0.00 H new ATOM 1011 N LEU A 69 41.501 11.064 3.670 1.00 0.02 N ATOM 1012 CA LEU A 69 41.725 11.418 5.079 1.00 0.02 C ATOM 1013 C LEU A 69 40.464 11.512 5.921 1.00 0.02 C ATOM 1014 O LEU A 69 40.434 11.119 7.087 1.00 0.02 O ATOM 1015 CB LEU A 69 42.517 12.728 5.209 1.00 0.02 C ATOM 1016 CG LEU A 69 42.856 13.097 6.664 1.00 0.01 C ATOM 1017 CD1 LEU A 69 44.354 13.008 6.951 1.00 0.02 C ATOM 1018 CD2 LEU A 69 42.241 14.433 7.091 1.00 0.02 C ATOM 0 H LEU A 69 41.747 11.789 2.996 1.00 0.02 H new ATOM 0 HA LEU A 69 42.303 10.583 5.475 1.00 0.02 H new ATOM 0 HB2 LEU A 69 43.442 12.642 4.639 1.00 0.02 H new ATOM 0 HB3 LEU A 69 41.941 13.538 4.762 1.00 0.02 H new ATOM 0 HG LEU A 69 42.385 12.342 7.293 1.00 0.01 H new ATOM 0 HD11 LEU A 69 44.542 13.278 7.990 1.00 0.02 H new ATOM 0 HD12 LEU A 69 44.699 11.990 6.772 1.00 0.02 H new ATOM 0 HD13 LEU A 69 44.891 13.693 6.295 1.00 0.02 H new ATOM 0 HD21 LEU A 69 42.512 14.644 8.125 1.00 0.02 H new ATOM 0 HD22 LEU A 69 42.617 15.229 6.448 1.00 0.02 H new ATOM 0 HD23 LEU A 69 41.156 14.378 7.004 1.00 0.02 H new ATOM 1030 N THR A 70 39.425 12.070 5.299 1.00 0.02 N ATOM 1031 CA THR A 70 38.125 12.120 5.971 1.00 0.01 C ATOM 1032 C THR A 70 37.593 10.738 6.324 1.00 0.02 C ATOM 1033 O THR A 70 37.098 10.462 7.423 1.00 0.02 O ATOM 1034 CB THR A 70 37.109 12.867 5.109 1.00 0.13 C ATOM 1035 OG1 THR A 70 36.987 12.204 3.850 1.00 0.18 O ATOM 1036 CG2 THR A 70 37.470 14.342 4.917 1.00 0.11 C ATOM 0 H THR A 70 39.452 12.480 4.365 1.00 0.02 H new ATOM 0 HA THR A 70 38.275 12.656 6.908 1.00 0.01 H new ATOM 0 HB THR A 70 36.151 12.855 5.629 1.00 0.13 H new ATOM 0 HG1 THR A 70 37.796 11.679 3.677 1.00 0.18 H new ATOM 0 HG21 THR A 70 36.714 14.824 4.297 1.00 0.11 H new ATOM 0 HG22 THR A 70 37.512 14.836 5.888 1.00 0.11 H new ATOM 0 HG23 THR A 70 38.442 14.418 4.429 1.00 0.11 H new ATOM 1044 N MET A 71 37.792 9.826 5.360 1.00 0.02 N ATOM 1045 CA MET A 71 37.423 8.436 5.636 1.00 0.02 C ATOM 1046 C MET A 71 38.238 7.857 6.778 1.00 0.02 C ATOM 1047 O MET A 71 37.771 7.176 7.690 1.00 0.02 O ATOM 1048 CB MET A 71 37.616 7.550 4.409 1.00 0.28 C ATOM 1049 CG MET A 71 37.091 6.132 4.660 1.00 0.67 C ATOM 1050 SD MET A 71 37.783 4.908 3.544 1.00 1.89 S ATOM 1051 CE MET A 71 39.338 4.696 4.404 1.00 2.60 C ATOM 0 H MET A 71 38.183 10.011 4.436 1.00 0.02 H new ATOM 0 HA MET A 71 36.369 8.451 5.913 1.00 0.02 H new ATOM 0 HB2 MET A 71 37.096 7.987 3.556 1.00 0.28 H new ATOM 0 HB3 MET A 71 38.674 7.508 4.150 1.00 0.28 H new ATOM 0 HG2 MET A 71 37.317 5.845 5.687 1.00 0.67 H new ATOM 0 HG3 MET A 71 36.006 6.131 4.560 1.00 0.67 H new ATOM 0 HE1 MET A 71 40.152 4.659 3.680 1.00 2.60 H new ATOM 0 HE2 MET A 71 39.495 5.533 5.084 1.00 2.60 H new ATOM 0 HE3 MET A 71 39.316 3.766 4.972 1.00 2.60 H new ATOM 1061 N MET A 72 39.536 8.180 6.703 1.00 0.00 N ATOM 1062 CA MET A 72 40.450 7.811 7.783 1.00 0.02 C ATOM 1063 C MET A 72 40.074 8.360 9.141 1.00 0.02 C ATOM 1064 O MET A 72 40.351 7.744 10.151 1.00 0.02 O ATOM 1065 CB MET A 72 41.871 8.246 7.450 1.00 0.02 C ATOM 1066 CG MET A 72 42.556 7.383 6.396 1.00 0.02 C ATOM 1067 SD MET A 72 43.324 5.914 7.095 1.00 0.02 S ATOM 1068 CE MET A 72 42.356 4.646 6.284 1.00 0.02 C ATOM 0 H MET A 72 39.965 8.683 5.926 1.00 0.00 H new ATOM 0 HA MET A 72 40.379 6.726 7.854 1.00 0.02 H new ATOM 0 HB2 MET A 72 41.851 9.279 7.102 1.00 0.02 H new ATOM 0 HB3 MET A 72 42.468 8.229 8.362 1.00 0.02 H new ATOM 0 HG2 MET A 72 41.824 7.084 5.646 1.00 0.02 H new ATOM 0 HG3 MET A 72 43.314 7.975 5.883 1.00 0.02 H new ATOM 0 HE1 MET A 72 42.689 3.664 6.619 1.00 0.02 H new ATOM 0 HE2 MET A 72 41.303 4.777 6.534 1.00 0.02 H new ATOM 0 HE3 MET A 72 42.485 4.724 5.205 1.00 0.02 H new ATOM 1078 N ALA A 73 39.437 9.538 9.124 1.00 0.01 N ATOM 1079 CA ALA A 73 38.917 10.096 10.373 1.00 0.02 C ATOM 1080 C ALA A 73 37.770 9.309 10.978 1.00 0.01 C ATOM 1081 O ALA A 73 37.532 9.286 12.177 1.00 0.02 O ATOM 1082 CB ALA A 73 38.423 11.528 10.150 1.00 0.01 C ATOM 0 H ALA A 73 39.274 10.104 8.291 1.00 0.01 H new ATOM 0 HA ALA A 73 39.755 10.055 11.069 1.00 0.02 H new ATOM 0 HB1 ALA A 73 38.039 11.931 11.087 1.00 0.01 H new ATOM 0 HB2 ALA A 73 39.249 12.147 9.800 1.00 0.01 H new ATOM 0 HB3 ALA A 73 37.629 11.527 9.403 1.00 0.01 H new ATOM 1088 N ARG A 74 37.012 8.705 10.055 1.00 0.02 N ATOM 1089 CA ARG A 74 35.962 7.789 10.498 1.00 0.01 C ATOM 1090 C ARG A 74 36.474 6.490 11.068 1.00 0.00 C ATOM 1091 O ARG A 74 35.995 5.982 12.070 1.00 0.02 O ATOM 1092 CB ARG A 74 35.064 7.437 9.326 1.00 0.02 C ATOM 1093 CG ARG A 74 34.336 8.653 8.783 1.00 0.00 C ATOM 1094 CD ARG A 74 32.967 8.837 9.442 1.00 0.01 C ATOM 1095 NE ARG A 74 32.098 7.676 9.206 1.00 0.00 N ATOM 1096 CZ ARG A 74 31.589 7.383 7.982 1.00 0.01 C ATOM 1097 NH1 ARG A 74 31.844 8.159 6.923 1.00 0.02 N ATOM 1098 NH2 ARG A 74 30.836 6.286 7.835 1.00 0.01 N ATOM 0 H ARG A 74 37.099 8.826 9.046 1.00 0.02 H new ATOM 0 HA ARG A 74 35.433 8.319 11.290 1.00 0.01 H new ATOM 0 HB2 ARG A 74 35.662 6.988 8.533 1.00 0.02 H new ATOM 0 HB3 ARG A 74 34.336 6.688 9.639 1.00 0.02 H new ATOM 0 HG2 ARG A 74 34.942 9.544 8.949 1.00 0.00 H new ATOM 0 HG3 ARG A 74 34.210 8.550 7.705 1.00 0.00 H new ATOM 0 HD2 ARG A 74 33.095 8.986 10.514 1.00 0.01 H new ATOM 0 HD3 ARG A 74 32.491 9.736 9.050 1.00 0.01 H new ATOM 0 HE ARG A 74 31.868 7.067 9.991 1.00 0.00 H new ATOM 0 HH11 ARG A 74 32.430 8.987 7.027 1.00 0.02 H new ATOM 0 HH12 ARG A 74 31.453 7.922 6.011 1.00 0.02 H new ATOM 0 HH21 ARG A 74 30.651 5.683 8.637 1.00 0.01 H new ATOM 0 HH22 ARG A 74 30.447 6.053 6.921 1.00 0.01 H new ATOM 1112 N LYS A 75 37.410 5.918 10.299 1.00 0.00 N ATOM 1113 CA LYS A 75 38.082 4.740 10.814 1.00 0.01 C ATOM 1114 C LYS A 75 38.946 5.156 11.993 1.00 0.02 C ATOM 1115 O LYS A 75 39.412 6.275 12.024 1.00 0.02 O ATOM 1116 CB LYS A 75 38.930 4.138 9.690 1.00 0.01 C ATOM 1117 CG LYS A 75 39.364 2.688 9.908 1.00 0.01 C ATOM 1118 CD LYS A 75 40.616 2.348 9.096 1.00 0.00 C ATOM 1119 CE LYS A 75 40.502 1.026 8.349 1.00 0.02 C ATOM 1120 NZ LYS A 75 41.640 0.193 8.754 1.00 0.02 N ATOM 0 H LYS A 75 37.700 6.235 9.374 1.00 0.00 H new ATOM 0 HA LYS A 75 37.368 3.990 11.153 1.00 0.01 H new ATOM 0 HB2 LYS A 75 38.365 4.196 8.760 1.00 0.01 H new ATOM 0 HB3 LYS A 75 39.821 4.752 9.560 1.00 0.01 H new ATOM 0 HG2 LYS A 75 39.560 2.521 10.967 1.00 0.01 H new ATOM 0 HG3 LYS A 75 38.552 2.018 9.625 1.00 0.01 H new ATOM 0 HD2 LYS A 75 40.806 3.148 8.380 1.00 0.00 H new ATOM 0 HD3 LYS A 75 41.476 2.308 9.765 1.00 0.00 H new ATOM 0 HE2 LYS A 75 39.560 0.531 8.587 1.00 0.02 H new ATOM 0 HE3 LYS A 75 40.512 1.192 7.272 1.00 0.02 H new ATOM 0 HZ1 LYS A 75 41.594 -0.721 8.261 1.00 0.02 H new ATOM 0 HZ2 LYS A 75 42.528 0.675 8.507 1.00 0.02 H new ATOM 0 HZ3 LYS A 75 41.606 0.034 9.781 1.00 0.02 H new ATOM 1134 N MET A 76 39.146 4.202 12.930 1.00 0.02 N ATOM 1135 CA MET A 76 39.878 4.503 14.165 1.00 0.02 C ATOM 1136 C MET A 76 39.376 5.700 14.969 1.00 0.02 C ATOM 1137 O MET A 76 38.242 6.114 14.741 1.00 20.00 O ATOM 1138 CB MET A 76 41.424 4.453 14.043 1.00 0.02 C ATOM 1139 CG MET A 76 42.146 5.192 12.913 1.00 0.02 C ATOM 1140 SD MET A 76 41.966 4.283 11.376 1.00 0.02 S ATOM 1141 CE MET A 76 42.940 5.368 10.336 1.00 0.02 C ATOM 1142 OXT MET A 76 40.095 6.168 15.849 1.00 20.00 O ATOM 0 H MET A 76 38.816 3.240 12.852 1.00 0.02 H new ATOM 0 HA MET A 76 39.613 3.645 14.783 1.00 0.02 H new ATOM 0 HB2 MET A 76 41.832 4.827 14.982 1.00 0.02 H new ATOM 0 HB3 MET A 76 41.706 3.403 13.970 1.00 0.02 H new ATOM 0 HG2 MET A 76 41.735 6.196 12.802 1.00 0.02 H new ATOM 0 HG3 MET A 76 43.202 5.305 13.157 1.00 0.02 H new ATOM 0 HE1 MET A 76 43.644 4.776 9.751 1.00 0.02 H new ATOM 0 HE2 MET A 76 42.280 5.917 9.664 1.00 0.02 H new ATOM 0 HE3 MET A 76 43.490 6.073 10.960 1.00 0.02 H new TER 1152 MET A 76 HETATM 1153 CA CA A 990 44.995 7.029 -10.787 1.00 1.00 CA HETATM 1154 CA CA A 991 36.342 12.876 -5.384 1.00 1.00 CA HETATM 1155 F1 HLT A 149 36.041 2.798 2.640 1.00 0.00 F HETATM 1156 C2 HLT A 149 36.935 1.897 2.122 1.00 64.50 C HETATM 1157 F2 HLT A 149 37.690 1.368 3.136 1.00 0.00 F HETATM 1158 F3 HLT A 149 36.254 0.891 1.486 1.00 0.00 F HETATM 1159 C1 HLT A 149 37.848 2.605 1.122 1.00 63.73 C HETATM 1160 BR HLT A 149 38.978 1.434 0.396 1.00 0.00 BR HETATM 1161 CL HLT A 149 36.869 3.376 -0.152 1.00 0.00 CL