USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=17 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 60 ASN : amide:sc= -3.77 K(o=-5,f=-11!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.328 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.32 X(o=-1.3,f=-0.95) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.047) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -4:sc= 0.341 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.37 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.384 USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= -2.5 (180deg=-2.88!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 173:sc= -12.2! (180deg=-12.8!) USER MOD Single : A 38 SER OG : rot -25:sc= 1.1 USER MOD Single : A 41 GLN : amide:sc= -0.844 K(o=-0.84,f=-0.26) USER MOD Single : A 42 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.6!) 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 169:sc= -0.0183 (180deg=-0.323) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 70 THR OG1 : rot -0:sc= 0.31 USER MOD Single : A 71 MET CE :methyl 173:sc= -17.4! (180deg=-18.8!) USER MOD Single : A 72 MET CE :methyl 162:sc= -0.558 (180deg=-1.18) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -142:sc= -0.0204 (180deg=-1.59) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 47.461 14.481 18.579 1.00 0.95 N ATOM 2 CA ALA A 1 47.230 14.613 17.148 1.00 0.57 C ATOM 3 C ALA A 1 45.777 14.320 16.922 1.00 0.53 C ATOM 4 O ALA A 1 45.126 13.909 17.883 1.00 0.84 O ATOM 5 CB ALA A 1 48.098 13.566 16.500 1.00 1.25 C ATOM 0 H1 ALA A 1 47.675 15.415 18.984 1.00 0.95 H new ATOM 0 H2 ALA A 1 46.610 14.093 19.034 1.00 0.95 H new ATOM 0 H3 ALA A 1 48.264 13.840 18.743 1.00 0.95 H new ATOM 0 HA ALA A 1 47.465 15.598 16.744 1.00 0.57 H new ATOM 0 HB1 ALA A 1 47.973 13.609 15.418 1.00 1.25 H new ATOM 0 HB2 ALA A 1 49.142 13.752 16.753 1.00 1.25 H new ATOM 0 HB3 ALA A 1 47.808 12.579 16.860 1.00 1.25 H new ATOM 13 N ASP A 2 45.345 14.583 15.684 1.00 0.01 N ATOM 14 CA ASP A 2 43.935 14.453 15.347 1.00 0.02 C ATOM 15 C ASP A 2 43.587 13.029 15.038 1.00 0.00 C ATOM 16 O ASP A 2 42.879 12.365 15.790 1.00 0.01 O ATOM 17 CB ASP A 2 43.568 15.342 14.156 1.00 1.81 C ATOM 18 CG ASP A 2 43.668 16.795 14.555 1.00 2.29 C ATOM 19 OD1 ASP A 2 42.921 17.211 15.437 1.00 2.99 O ATOM 20 OD2 ASP A 2 44.488 17.511 13.992 1.00 2.17 O ATOM 0 H ASP A 2 45.944 14.882 14.915 1.00 0.01 H new ATOM 0 HA ASP A 2 43.362 14.777 16.216 1.00 0.02 H new ATOM 0 HB2 ASP A 2 44.235 15.138 13.319 1.00 1.81 H new ATOM 0 HB3 ASP A 2 42.556 15.116 13.820 1.00 1.81 H new ATOM 25 N GLN A 3 44.130 12.583 13.884 1.00 0.01 N ATOM 26 CA GLN A 3 44.043 11.160 13.569 1.00 0.02 C ATOM 27 C GLN A 3 45.046 10.384 14.389 1.00 0.03 C ATOM 28 O GLN A 3 44.694 9.625 15.278 1.00 0.01 O ATOM 29 CB GLN A 3 44.233 10.888 12.074 1.00 0.03 C ATOM 30 CG GLN A 3 43.120 11.501 11.226 1.00 0.02 C ATOM 31 CD GLN A 3 43.233 11.016 9.796 1.00 0.02 C ATOM 32 OE1 GLN A 3 44.242 11.128 9.128 1.00 0.02 O ATOM 33 NE2 GLN A 3 42.108 10.496 9.304 1.00 0.01 N ATOM 0 H GLN A 3 44.608 13.162 13.193 1.00 0.01 H new ATOM 0 HA GLN A 3 43.038 10.824 13.827 1.00 0.02 H new ATOM 0 HB2 GLN A 3 45.194 11.290 11.753 1.00 0.03 H new ATOM 0 HB3 GLN A 3 44.265 9.812 11.904 1.00 0.03 H new ATOM 0 HG2 GLN A 3 42.147 11.229 11.636 1.00 0.02 H new ATOM 0 HG3 GLN A 3 43.185 12.589 11.256 1.00 0.02 H new ATOM 0 HE21 GLN A 3 41.281 10.418 9.896 1.00 0.01 H new ATOM 0 HE22 GLN A 3 42.075 10.176 8.336 1.00 0.01 H new ATOM 42 N LEU A 4 46.318 10.656 14.105 1.00 0.01 N ATOM 43 CA LEU A 4 47.384 9.966 14.819 1.00 0.01 C ATOM 44 C LEU A 4 48.598 10.846 14.713 1.00 0.02 C ATOM 45 O LEU A 4 48.502 11.909 14.113 1.00 0.01 O ATOM 46 CB LEU A 4 47.670 8.595 14.215 1.00 0.01 C ATOM 47 CG LEU A 4 47.317 7.377 15.076 1.00 0.02 C ATOM 48 CD1 LEU A 4 47.574 7.618 16.565 1.00 0.02 C ATOM 49 CD2 LEU A 4 45.919 6.830 14.782 1.00 0.02 C ATOM 0 H LEU A 4 46.628 11.330 13.405 1.00 0.01 H new ATOM 0 HA LEU A 4 47.098 9.792 15.856 1.00 0.01 H new ATOM 0 HB2 LEU A 4 47.124 8.517 13.275 1.00 0.01 H new ATOM 0 HB3 LEU A 4 48.732 8.544 13.973 1.00 0.01 H new ATOM 0 HG LEU A 4 48.005 6.584 14.784 1.00 0.02 H new ATOM 0 HD11 LEU A 4 47.307 6.724 17.130 1.00 0.02 H new ATOM 0 HD12 LEU A 4 48.629 7.844 16.720 1.00 0.02 H new ATOM 0 HD13 LEU A 4 46.969 8.457 16.907 1.00 0.02 H new ATOM 0 HD21 LEU A 4 45.724 5.969 15.421 1.00 0.02 H new ATOM 0 HD22 LEU A 4 45.177 7.604 14.979 1.00 0.02 H new ATOM 0 HD23 LEU A 4 45.859 6.528 13.737 1.00 0.02 H new ATOM 61 N THR A 5 49.691 10.412 15.358 1.00 0.03 N ATOM 62 CA THR A 5 50.932 11.187 15.325 1.00 0.00 C ATOM 63 C THR A 5 51.318 11.504 13.887 1.00 0.01 C ATOM 64 O THR A 5 50.927 10.764 12.984 1.00 0.00 O ATOM 65 CB THR A 5 51.993 10.337 16.034 1.00 0.01 C ATOM 66 OG1 THR A 5 52.014 9.047 15.420 1.00 0.00 O ATOM 67 CG2 THR A 5 51.633 10.135 17.511 1.00 0.02 C ATOM 0 H THR A 5 49.739 9.547 15.897 1.00 0.03 H new ATOM 0 HA THR A 5 50.825 12.147 15.829 1.00 0.00 H new ATOM 0 HB THR A 5 52.955 10.844 15.959 1.00 0.01 H new ATOM 0 HG1 THR A 5 52.688 8.487 15.858 1.00 0.00 H new ATOM 0 HG21 THR A 5 52.400 9.529 17.993 1.00 0.02 H new ATOM 0 HG22 THR A 5 51.572 11.104 18.006 1.00 0.02 H new ATOM 0 HG23 THR A 5 50.671 9.628 17.585 1.00 0.02 H new ATOM 75 N GLU A 6 52.068 12.604 13.716 1.00 0.02 N ATOM 76 CA GLU A 6 52.547 12.975 12.382 1.00 0.03 C ATOM 77 C GLU A 6 53.128 11.828 11.571 1.00 0.02 C ATOM 78 O GLU A 6 53.011 11.779 10.356 1.00 0.00 O ATOM 79 CB GLU A 6 53.566 14.108 12.471 1.00 0.02 C ATOM 80 CG GLU A 6 53.863 14.722 11.100 1.00 0.03 C ATOM 81 CD GLU A 6 55.173 15.474 11.145 1.00 0.01 C ATOM 82 OE1 GLU A 6 55.164 16.648 11.499 1.00 0.01 O ATOM 83 OE2 GLU A 6 56.202 14.894 10.815 1.00 0.01 O ATOM 0 H GLU A 6 52.349 13.236 14.466 1.00 0.02 H new ATOM 0 HA GLU A 6 51.656 13.302 11.846 1.00 0.03 H new ATOM 0 HB2 GLU A 6 53.190 14.882 13.141 1.00 0.02 H new ATOM 0 HB3 GLU A 6 54.491 13.730 12.907 1.00 0.02 H new ATOM 0 HG2 GLU A 6 53.909 13.939 10.344 1.00 0.03 H new ATOM 0 HG3 GLU A 6 53.057 15.396 10.812 1.00 0.03 H new ATOM 90 N GLU A 7 53.673 10.859 12.315 1.00 0.00 N ATOM 91 CA GLU A 7 54.188 9.641 11.714 1.00 0.03 C ATOM 92 C GLU A 7 53.090 9.000 10.881 1.00 0.02 C ATOM 93 O GLU A 7 53.106 8.976 9.660 1.00 0.02 O ATOM 94 CB GLU A 7 54.737 8.741 12.836 1.00 0.02 C ATOM 95 CG GLU A 7 55.902 9.325 13.674 1.00 0.02 C ATOM 96 CD GLU A 7 55.481 10.402 14.683 1.00 0.02 C ATOM 97 OE1 GLU A 7 55.388 11.571 14.314 1.00 0.02 O ATOM 98 OE2 GLU A 7 55.259 10.084 15.853 1.00 0.02 O ATOM 0 H GLU A 7 53.765 10.902 13.330 1.00 0.00 H new ATOM 0 HA GLU A 7 55.015 9.834 11.031 1.00 0.03 H new ATOM 0 HB2 GLU A 7 53.917 8.498 13.512 1.00 0.02 H new ATOM 0 HB3 GLU A 7 55.072 7.804 12.391 1.00 0.02 H new ATOM 0 HG2 GLU A 7 56.390 8.512 14.212 1.00 0.02 H new ATOM 0 HG3 GLU A 7 56.643 9.749 12.997 1.00 0.02 H new ATOM 105 N GLN A 8 52.033 8.590 11.597 1.00 0.02 N ATOM 106 CA GLN A 8 50.942 7.954 10.860 1.00 0.02 C ATOM 107 C GLN A 8 50.337 8.758 9.732 1.00 0.02 C ATOM 108 O GLN A 8 50.105 8.270 8.633 1.00 0.02 O ATOM 109 CB GLN A 8 49.826 7.532 11.788 1.00 0.02 C ATOM 110 CG GLN A 8 48.919 6.503 11.122 1.00 0.02 C ATOM 111 CD GLN A 8 49.126 5.167 11.788 1.00 0.02 C ATOM 112 OE1 GLN A 8 48.161 4.509 12.162 1.00 0.01 O ATOM 113 NE2 GLN A 8 50.395 4.812 12.007 1.00 0.02 N ATOM 0 H GLN A 8 51.914 8.678 12.606 1.00 0.02 H new ATOM 0 HA GLN A 8 51.431 7.097 10.397 1.00 0.02 H new ATOM 0 HB2 GLN A 8 50.247 7.113 12.702 1.00 0.02 H new ATOM 0 HB3 GLN A 8 49.240 8.404 12.078 1.00 0.02 H new ATOM 0 HG2 GLN A 8 47.876 6.809 11.206 1.00 0.02 H new ATOM 0 HG3 GLN A 8 49.146 6.433 10.058 1.00 0.02 H new ATOM 0 HE21 GLN A 8 51.155 5.403 11.670 1.00 0.02 H new ATOM 0 HE22 GLN A 8 50.604 3.950 12.511 1.00 0.02 H new ATOM 122 N ILE A 9 50.065 10.031 10.055 1.00 0.02 N ATOM 123 CA ILE A 9 49.575 10.943 9.016 1.00 0.02 C ATOM 124 C ILE A 9 50.440 10.929 7.750 1.00 0.02 C ATOM 125 O ILE A 9 49.955 10.758 6.631 1.00 0.01 O ATOM 126 CB ILE A 9 49.405 12.362 9.594 1.00 0.03 C ATOM 127 CG1 ILE A 9 48.419 12.338 10.770 1.00 0.03 C ATOM 128 CG2 ILE A 9 48.911 13.333 8.513 1.00 0.02 C ATOM 129 CD1 ILE A 9 48.078 13.730 11.314 1.00 0.01 C ATOM 0 H ILE A 9 50.170 10.438 10.985 1.00 0.02 H new ATOM 0 HA ILE A 9 48.597 10.584 8.696 1.00 0.02 H new ATOM 0 HB ILE A 9 50.376 12.707 9.950 1.00 0.03 H new ATOM 0 HG12 ILE A 9 47.500 11.846 10.452 1.00 0.03 H new ATOM 0 HG13 ILE A 9 48.841 11.736 11.575 1.00 0.03 H new ATOM 0 HG21 ILE A 9 48.798 14.328 8.942 1.00 0.02 H new ATOM 0 HG22 ILE A 9 49.634 13.369 7.698 1.00 0.02 H new ATOM 0 HG23 ILE A 9 47.949 12.992 8.129 1.00 0.02 H new ATOM 0 HD11 ILE A 9 47.377 13.635 12.143 1.00 0.01 H new ATOM 0 HD12 ILE A 9 48.988 14.217 11.663 1.00 0.01 H new ATOM 0 HD13 ILE A 9 47.626 14.329 10.523 1.00 0.01 H new ATOM 141 N ALA A 10 51.749 11.056 7.991 1.00 0.00 N ATOM 142 CA ALA A 10 52.721 10.971 6.905 1.00 0.02 C ATOM 143 C ALA A 10 52.616 9.676 6.121 1.00 0.00 C ATOM 144 O ALA A 10 52.468 9.695 4.903 1.00 0.02 O ATOM 145 CB ALA A 10 54.149 11.142 7.428 1.00 0.02 C ATOM 0 H ALA A 10 52.152 11.215 8.914 1.00 0.00 H new ATOM 0 HA ALA A 10 52.484 11.789 6.224 1.00 0.02 H new ATOM 0 HB1 ALA A 10 54.851 11.074 6.597 1.00 0.02 H new ATOM 0 HB2 ALA A 10 54.247 12.116 7.907 1.00 0.02 H new ATOM 0 HB3 ALA A 10 54.367 10.358 8.153 1.00 0.02 H new ATOM 151 N GLU A 11 52.589 8.567 6.873 1.00 0.03 N ATOM 152 CA GLU A 11 52.374 7.256 6.255 1.00 0.00 C ATOM 153 C GLU A 11 51.073 7.123 5.473 1.00 0.02 C ATOM 154 O GLU A 11 50.964 6.415 4.473 1.00 0.02 O ATOM 155 CB GLU A 11 52.461 6.140 7.295 1.00 0.02 C ATOM 156 CG GLU A 11 53.851 5.960 7.917 1.00 0.02 C ATOM 157 CD GLU A 11 53.777 6.066 9.436 1.00 0.03 C ATOM 158 OE1 GLU A 11 52.781 5.646 10.035 1.00 0.02 O ATOM 159 OE2 GLU A 11 54.709 6.593 10.033 1.00 0.03 O ATOM 0 H GLU A 11 52.710 8.551 7.886 1.00 0.03 H new ATOM 0 HA GLU A 11 53.179 7.161 5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 11 51.744 6.345 8.090 1.00 0.02 H new ATOM 0 HB3 GLU A 11 52.161 5.202 6.829 1.00 0.02 H new ATOM 0 HG2 GLU A 11 54.259 4.990 7.634 1.00 0.02 H new ATOM 0 HG3 GLU A 11 54.531 6.717 7.527 1.00 0.02 H new ATOM 166 N PHE A 12 50.050 7.875 5.912 1.00 0.00 N ATOM 167 CA PHE A 12 48.869 7.952 5.053 1.00 0.02 C ATOM 168 C PHE A 12 49.179 8.556 3.697 1.00 0.02 C ATOM 169 O PHE A 12 48.749 8.047 2.673 1.00 0.02 O ATOM 170 CB PHE A 12 47.694 8.676 5.726 1.00 0.01 C ATOM 171 CG PHE A 12 47.024 7.824 6.787 1.00 0.02 C ATOM 172 CD1 PHE A 12 46.762 6.455 6.546 1.00 0.02 C ATOM 173 CD2 PHE A 12 46.645 8.431 8.005 1.00 0.02 C ATOM 174 CE1 PHE A 12 46.101 5.691 7.527 1.00 0.01 C ATOM 175 CE2 PHE A 12 45.975 7.670 8.983 1.00 0.02 C ATOM 176 CZ PHE A 12 45.700 6.310 8.730 1.00 0.02 C ATOM 0 H PHE A 12 50.015 8.399 6.787 1.00 0.00 H new ATOM 0 HA PHE A 12 48.558 6.921 4.887 1.00 0.02 H new ATOM 0 HB2 PHE A 12 48.051 9.601 6.178 1.00 0.01 H new ATOM 0 HB3 PHE A 12 46.960 8.954 4.970 1.00 0.01 H new ATOM 0 HD1 PHE A 12 47.067 5.999 5.616 1.00 0.02 H new ATOM 0 HD2 PHE A 12 46.868 9.472 8.185 1.00 0.02 H new ATOM 0 HE1 PHE A 12 45.903 4.642 7.360 1.00 0.01 H new ATOM 0 HE2 PHE A 12 45.675 8.123 9.916 1.00 0.02 H new ATOM 0 HZ PHE A 12 45.172 5.730 9.472 1.00 0.02 H new ATOM 186 N LYS A 13 49.994 9.613 3.741 1.00 0.02 N ATOM 187 CA LYS A 13 50.495 10.133 2.471 1.00 0.02 C ATOM 188 C LYS A 13 51.345 9.134 1.694 1.00 0.02 C ATOM 189 O LYS A 13 51.288 9.060 0.476 1.00 0.02 O ATOM 190 CB LYS A 13 51.209 11.478 2.695 1.00 0.02 C ATOM 191 CG LYS A 13 51.602 12.249 1.425 1.00 0.02 C ATOM 192 CD LYS A 13 52.989 11.933 0.847 1.00 0.00 C ATOM 193 CE LYS A 13 54.133 12.550 1.655 1.00 0.02 C ATOM 194 NZ LYS A 13 55.419 12.214 1.031 1.00 0.00 N ATOM 0 H LYS A 13 50.304 10.098 4.583 1.00 0.02 H new ATOM 0 HA LYS A 13 49.632 10.308 1.828 1.00 0.02 H new ATOM 0 HB2 LYS A 13 50.562 12.115 3.298 1.00 0.02 H new ATOM 0 HB3 LYS A 13 52.111 11.296 3.280 1.00 0.02 H new ATOM 0 HG2 LYS A 13 50.856 12.048 0.656 1.00 0.02 H new ATOM 0 HG3 LYS A 13 51.556 13.316 1.643 1.00 0.02 H new ATOM 0 HD2 LYS A 13 53.122 10.852 0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 13 53.040 12.297 -0.179 1.00 0.00 H new ATOM 0 HE2 LYS A 13 54.014 13.632 1.704 1.00 0.02 H new ATOM 0 HE3 LYS A 13 54.108 12.180 2.680 1.00 0.02 H new ATOM 0 HZ1 LYS A 13 56.193 12.635 1.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 55.533 11.181 1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 55.442 12.588 0.061 1.00 0.00 H new ATOM 208 N GLU A 14 52.141 8.335 2.421 1.00 0.00 N ATOM 209 CA GLU A 14 52.843 7.273 1.698 1.00 0.02 C ATOM 210 C GLU A 14 51.910 6.293 0.999 1.00 0.02 C ATOM 211 O GLU A 14 52.070 5.962 -0.166 1.00 0.00 O ATOM 212 CB GLU A 14 53.825 6.536 2.604 1.00 0.03 C ATOM 213 CG GLU A 14 54.873 7.467 3.216 1.00 0.03 C ATOM 214 CD GLU A 14 56.003 6.637 3.786 1.00 0.03 C ATOM 215 OE1 GLU A 14 56.652 5.926 3.011 1.00 0.00 O ATOM 216 OE2 GLU A 14 56.246 6.717 4.985 1.00 0.03 O ATOM 0 H GLU A 14 52.306 8.394 3.426 1.00 0.00 H new ATOM 0 HA GLU A 14 53.405 7.775 0.911 1.00 0.02 H new ATOM 0 HB2 GLU A 14 53.274 6.040 3.403 1.00 0.03 H new ATOM 0 HB3 GLU A 14 54.327 5.756 2.031 1.00 0.03 H new ATOM 0 HG2 GLU A 14 55.255 8.152 2.459 1.00 0.03 H new ATOM 0 HG3 GLU A 14 54.422 8.077 3.999 1.00 0.03 H new ATOM 223 N ALA A 15 50.859 5.913 1.738 1.00 0.02 N ATOM 224 CA ALA A 15 49.847 5.043 1.133 1.00 0.03 C ATOM 225 C ALA A 15 49.221 5.632 -0.126 1.00 0.02 C ATOM 226 O ALA A 15 48.949 4.957 -1.109 1.00 0.03 O ATOM 227 CB ALA A 15 48.749 4.730 2.149 1.00 0.02 C ATOM 0 H ALA A 15 50.692 6.179 2.708 1.00 0.02 H new ATOM 0 HA ALA A 15 50.363 4.130 0.837 1.00 0.03 H new ATOM 0 HB1 ALA A 15 48.002 4.083 1.690 1.00 0.02 H new ATOM 0 HB2 ALA A 15 49.185 4.226 3.012 1.00 0.02 H new ATOM 0 HB3 ALA A 15 48.276 5.658 2.471 1.00 0.02 H new ATOM 233 N PHE A 16 49.086 6.966 -0.064 1.00 0.00 N ATOM 234 CA PHE A 16 48.620 7.689 -1.246 1.00 0.02 C ATOM 235 C PHE A 16 49.491 7.463 -2.471 1.00 0.02 C ATOM 236 O PHE A 16 49.003 7.171 -3.549 1.00 0.02 O ATOM 237 CB PHE A 16 48.454 9.180 -0.925 1.00 0.00 C ATOM 238 CG PHE A 16 47.696 9.899 -2.018 1.00 0.02 C ATOM 239 CD1 PHE A 16 46.306 9.691 -2.143 1.00 0.02 C ATOM 240 CD2 PHE A 16 48.388 10.768 -2.890 1.00 0.02 C ATOM 241 CE1 PHE A 16 45.597 10.367 -3.154 1.00 0.02 C ATOM 242 CE2 PHE A 16 47.677 11.444 -3.901 1.00 0.00 C ATOM 243 CZ PHE A 16 46.287 11.238 -4.022 1.00 0.00 C ATOM 0 H PHE A 16 49.284 7.541 0.755 1.00 0.00 H new ATOM 0 HA PHE A 16 47.645 7.280 -1.510 1.00 0.02 H new ATOM 0 HB2 PHE A 16 47.925 9.293 0.021 1.00 0.00 H new ATOM 0 HB3 PHE A 16 49.435 9.638 -0.799 1.00 0.00 H new ATOM 0 HD1 PHE A 16 45.792 9.021 -1.470 1.00 0.02 H new ATOM 0 HD2 PHE A 16 49.453 10.913 -2.783 1.00 0.02 H new ATOM 0 HE1 PHE A 16 44.533 10.220 -3.264 1.00 0.02 H new ATOM 0 HE2 PHE A 16 48.191 12.113 -4.576 1.00 0.00 H new ATOM 0 HZ PHE A 16 45.740 11.758 -4.795 1.00 0.00 H new ATOM 253 N SER A 17 50.816 7.525 -2.240 1.00 0.00 N ATOM 254 CA SER A 17 51.775 7.231 -3.312 1.00 0.00 C ATOM 255 C SER A 17 51.580 5.850 -3.937 1.00 0.00 C ATOM 256 O SER A 17 51.744 5.630 -5.125 1.00 0.02 O ATOM 257 CB SER A 17 53.203 7.417 -2.755 1.00 0.09 C ATOM 258 OG SER A 17 54.224 7.425 -3.769 1.00 0.17 O ATOM 0 H SER A 17 51.235 7.770 -1.343 1.00 0.00 H new ATOM 0 HA SER A 17 51.602 7.930 -4.130 1.00 0.00 H new ATOM 0 HB2 SER A 17 53.248 8.354 -2.200 1.00 0.09 H new ATOM 0 HB3 SER A 17 53.414 6.616 -2.046 1.00 0.09 H new ATOM 0 HG SER A 17 55.101 7.548 -3.349 1.00 0.17 H new ATOM 264 N LEU A 18 51.226 4.903 -3.057 1.00 0.02 N ATOM 265 CA LEU A 18 50.967 3.544 -3.539 1.00 0.02 C ATOM 266 C LEU A 18 49.648 3.417 -4.286 1.00 0.02 C ATOM 267 O LEU A 18 49.434 2.518 -5.094 1.00 0.03 O ATOM 268 CB LEU A 18 50.996 2.527 -2.388 1.00 0.00 C ATOM 269 CG LEU A 18 52.371 2.152 -1.809 1.00 0.02 C ATOM 270 CD1 LEU A 18 52.993 3.212 -0.904 1.00 0.02 C ATOM 271 CD2 LEU A 18 52.301 0.823 -1.061 1.00 0.02 C ATOM 0 H LEU A 18 51.117 5.043 -2.053 1.00 0.02 H new ATOM 0 HA LEU A 18 51.771 3.326 -4.242 1.00 0.02 H new ATOM 0 HB2 LEU A 18 50.384 2.920 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 18 50.516 1.612 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 18 53.025 2.069 -2.677 1.00 0.02 H new ATOM 0 HD11 LEU A 18 53.960 2.860 -0.543 1.00 0.02 H new ATOM 0 HD12 LEU A 18 53.130 4.136 -1.466 1.00 0.02 H new ATOM 0 HD13 LEU A 18 52.335 3.398 -0.056 1.00 0.02 H new ATOM 0 HD21 LEU A 18 53.285 0.579 -0.661 1.00 0.02 H new ATOM 0 HD22 LEU A 18 51.586 0.903 -0.242 1.00 0.02 H new ATOM 0 HD23 LEU A 18 51.982 0.037 -1.745 1.00 0.02 H new ATOM 283 N PHE A 19 48.743 4.340 -3.942 1.00 0.02 N ATOM 284 CA PHE A 19 47.439 4.326 -4.588 1.00 0.00 C ATOM 285 C PHE A 19 47.524 4.836 -5.991 1.00 0.02 C ATOM 286 O PHE A 19 47.227 4.098 -6.917 1.00 0.02 O ATOM 287 CB PHE A 19 46.408 5.095 -3.765 1.00 0.02 C ATOM 288 CG PHE A 19 46.229 4.494 -2.385 1.00 0.02 C ATOM 289 CD1 PHE A 19 46.738 3.210 -2.057 1.00 0.02 C ATOM 290 CD2 PHE A 19 45.528 5.255 -1.429 1.00 0.00 C ATOM 291 CE1 PHE A 19 46.553 2.689 -0.765 1.00 0.02 C ATOM 292 CE2 PHE A 19 45.336 4.735 -0.137 1.00 0.02 C ATOM 293 CZ PHE A 19 45.853 3.461 0.183 1.00 0.02 C ATOM 0 H PHE A 19 48.885 5.075 -3.249 1.00 0.02 H new ATOM 0 HA PHE A 19 47.102 3.291 -4.642 1.00 0.00 H new ATOM 0 HB2 PHE A 19 46.720 6.135 -3.671 1.00 0.02 H new ATOM 0 HB3 PHE A 19 45.452 5.095 -4.288 1.00 0.02 H new ATOM 0 HD1 PHE A 19 47.268 2.633 -2.801 1.00 0.02 H new ATOM 0 HD2 PHE A 19 45.141 6.230 -1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 19 46.940 1.715 -0.504 1.00 0.02 H new ATOM 0 HE2 PHE A 19 44.797 5.306 0.605 1.00 0.02 H new ATOM 0 HZ PHE A 19 45.708 3.069 1.179 1.00 0.02 H new ATOM 303 N ASP A 20 48.062 6.062 -6.071 1.00 0.03 N ATOM 304 CA ASP A 20 48.199 6.705 -7.372 1.00 0.02 C ATOM 305 C ASP A 20 49.373 6.147 -8.149 1.00 0.00 C ATOM 306 O ASP A 20 50.448 6.733 -8.247 1.00 0.02 O ATOM 307 CB ASP A 20 48.305 8.228 -7.196 1.00 0.02 C ATOM 308 CG ASP A 20 47.948 8.933 -8.492 1.00 0.02 C ATOM 309 OD1 ASP A 20 47.292 8.312 -9.316 1.00 0.02 O ATOM 310 OD2 ASP A 20 48.334 10.093 -8.670 1.00 0.02 O ATOM 0 H ASP A 20 48.397 6.607 -5.276 1.00 0.03 H new ATOM 0 HA ASP A 20 47.307 6.489 -7.960 1.00 0.02 H new ATOM 0 HB2 ASP A 20 47.637 8.556 -6.399 1.00 0.02 H new ATOM 0 HB3 ASP A 20 49.317 8.497 -6.895 1.00 0.02 H new ATOM 315 N LYS A 21 49.133 4.918 -8.623 1.00 0.02 N ATOM 316 CA LYS A 21 50.211 4.140 -9.235 1.00 0.02 C ATOM 317 C LYS A 21 50.683 4.695 -10.564 1.00 0.02 C ATOM 318 O LYS A 21 51.821 4.503 -10.990 1.00 0.02 O ATOM 319 CB LYS A 21 49.787 2.661 -9.349 1.00 0.02 C ATOM 320 CG LYS A 21 48.514 2.383 -10.168 1.00 0.00 C ATOM 321 CD LYS A 21 48.739 2.217 -11.672 1.00 0.02 C ATOM 322 CE LYS A 21 47.461 2.444 -12.474 1.00 0.03 C ATOM 323 NZ LYS A 21 47.751 2.108 -13.874 1.00 0.02 N ATOM 0 H LYS A 21 48.226 4.452 -8.596 1.00 0.02 H new ATOM 0 HA LYS A 21 51.076 4.215 -8.577 1.00 0.02 H new ATOM 0 HB2 LYS A 21 50.610 2.101 -9.794 1.00 0.02 H new ATOM 0 HB3 LYS A 21 49.641 2.268 -8.343 1.00 0.02 H new ATOM 0 HG2 LYS A 21 48.043 1.478 -9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 21 47.811 3.201 -10.009 1.00 0.00 H new ATOM 0 HD2 LYS A 21 49.503 2.920 -12.003 1.00 0.02 H new ATOM 0 HD3 LYS A 21 49.119 1.215 -11.873 1.00 0.02 H new ATOM 0 HE2 LYS A 21 46.652 1.822 -12.090 1.00 0.03 H new ATOM 0 HE3 LYS A 21 47.134 3.480 -12.389 1.00 0.03 H new ATOM 0 HZ1 LYS A 21 46.897 2.253 -14.450 1.00 0.02 H new ATOM 0 HZ2 LYS A 21 48.514 2.720 -14.227 1.00 0.02 H new ATOM 0 HZ3 LYS A 21 48.047 1.113 -13.938 1.00 0.02 H new ATOM 337 N ASP A 22 49.697 5.311 -11.222 1.00 0.00 N ATOM 338 CA ASP A 22 49.973 5.992 -12.482 1.00 0.02 C ATOM 339 C ASP A 22 50.483 7.411 -12.279 1.00 0.02 C ATOM 340 O ASP A 22 51.141 7.970 -13.163 1.00 0.03 O ATOM 341 CB ASP A 22 48.717 5.957 -13.384 1.00 0.00 C ATOM 342 CG ASP A 22 47.471 6.411 -12.629 1.00 0.02 C ATOM 343 OD1 ASP A 22 47.640 7.078 -11.619 1.00 0.02 O ATOM 344 OD2 ASP A 22 46.355 6.077 -13.037 1.00 0.02 O ATOM 0 H ASP A 22 48.726 5.351 -10.911 1.00 0.00 H new ATOM 0 HA ASP A 22 50.779 5.456 -12.983 1.00 0.02 H new ATOM 0 HB2 ASP A 22 48.873 6.600 -14.251 1.00 0.00 H new ATOM 0 HB3 ASP A 22 48.567 4.945 -13.760 1.00 0.00 H new ATOM 349 N GLY A 23 50.180 7.939 -11.076 1.00 0.00 N ATOM 350 CA GLY A 23 50.521 9.337 -10.854 1.00 0.00 C ATOM 351 C GLY A 23 49.630 10.302 -11.625 1.00 0.00 C ATOM 352 O GLY A 23 50.046 11.413 -11.969 1.00 0.02 O ATOM 0 H GLY A 23 49.732 7.452 -10.300 1.00 0.00 H new ATOM 0 HA2 GLY A 23 50.448 9.557 -9.789 1.00 0.00 H new ATOM 0 HA3 GLY A 23 51.559 9.501 -11.143 1.00 0.00 H new ATOM 356 N ASP A 24 48.411 9.833 -11.933 1.00 0.02 N ATOM 357 CA ASP A 24 47.489 10.701 -12.658 1.00 0.01 C ATOM 358 C ASP A 24 46.852 11.805 -11.815 1.00 0.02 C ATOM 359 O ASP A 24 46.179 12.692 -12.333 1.00 0.02 O ATOM 360 CB ASP A 24 46.444 9.872 -13.445 1.00 0.02 C ATOM 361 CG ASP A 24 45.476 9.118 -12.540 1.00 0.02 C ATOM 362 OD1 ASP A 24 45.392 9.476 -11.376 1.00 0.01 O ATOM 363 OD2 ASP A 24 44.807 8.189 -13.005 1.00 0.02 O ATOM 0 H ASP A 24 48.059 8.904 -11.703 1.00 0.02 H new ATOM 0 HA ASP A 24 48.101 11.244 -13.378 1.00 0.01 H new ATOM 0 HB2 ASP A 24 45.879 10.537 -14.098 1.00 0.02 H new ATOM 0 HB3 ASP A 24 46.962 9.159 -14.087 1.00 0.02 H new ATOM 368 N GLY A 25 47.170 11.763 -10.523 1.00 0.02 N ATOM 369 CA GLY A 25 46.588 12.713 -9.587 1.00 0.02 C ATOM 370 C GLY A 25 45.159 12.408 -9.181 1.00 0.02 C ATOM 371 O GLY A 25 44.454 13.303 -8.725 1.00 0.00 O ATOM 0 H GLY A 25 47.817 11.092 -10.108 1.00 0.02 H new ATOM 0 HA2 GLY A 25 47.207 12.745 -8.690 1.00 0.02 H new ATOM 0 HA3 GLY A 25 46.621 13.707 -10.032 1.00 0.02 H new ATOM 375 N THR A 26 44.751 11.149 -9.355 1.00 0.02 N ATOM 376 CA THR A 26 43.378 10.756 -9.078 1.00 0.02 C ATOM 377 C THR A 26 43.299 9.285 -8.729 1.00 0.02 C ATOM 378 O THR A 26 43.750 8.401 -9.441 1.00 0.02 O ATOM 379 CB THR A 26 42.386 11.047 -10.238 1.00 0.01 C ATOM 380 OG1 THR A 26 42.738 10.412 -11.471 1.00 0.02 O ATOM 381 CG2 THR A 26 42.099 12.529 -10.489 1.00 0.00 C ATOM 0 H THR A 26 45.351 10.393 -9.684 1.00 0.02 H new ATOM 0 HA THR A 26 43.075 11.372 -8.232 1.00 0.02 H new ATOM 0 HB THR A 26 41.463 10.600 -9.868 1.00 0.01 H new ATOM 0 HG1 THR A 26 43.599 9.956 -11.370 1.00 0.02 H new ATOM 0 HG21 THR A 26 41.397 12.629 -11.317 1.00 0.00 H new ATOM 0 HG22 THR A 26 41.668 12.973 -9.592 1.00 0.00 H new ATOM 0 HG23 THR A 26 43.028 13.042 -10.738 1.00 0.00 H new ATOM 389 N ILE A 27 42.605 9.036 -7.608 1.00 0.02 N ATOM 390 CA ILE A 27 42.413 7.625 -7.270 1.00 0.02 C ATOM 391 C ILE A 27 41.248 7.053 -8.048 1.00 0.00 C ATOM 392 O ILE A 27 40.094 7.459 -7.912 1.00 0.02 O ATOM 393 CB ILE A 27 42.227 7.403 -5.757 1.00 0.00 C ATOM 394 CG1 ILE A 27 43.469 7.864 -4.993 1.00 0.02 C ATOM 395 CG2 ILE A 27 41.921 5.936 -5.415 1.00 0.02 C ATOM 396 CD1 ILE A 27 43.265 7.796 -3.477 1.00 0.01 C ATOM 0 H ILE A 27 42.201 9.725 -6.973 1.00 0.02 H new ATOM 0 HA ILE A 27 43.323 7.096 -7.554 1.00 0.02 H new ATOM 0 HB ILE A 27 41.367 7.999 -5.452 1.00 0.00 H new ATOM 0 HG12 ILE A 27 44.319 7.242 -5.273 1.00 0.02 H new ATOM 0 HG13 ILE A 27 43.714 8.886 -5.281 1.00 0.02 H new ATOM 0 HG21 ILE A 27 41.799 5.832 -4.337 1.00 0.02 H new ATOM 0 HG22 ILE A 27 41.003 5.630 -5.916 1.00 0.02 H new ATOM 0 HG23 ILE A 27 42.745 5.305 -5.749 1.00 0.02 H new ATOM 0 HD11 ILE A 27 44.171 8.132 -2.973 1.00 0.01 H new ATOM 0 HD12 ILE A 27 42.432 8.439 -3.193 1.00 0.01 H new ATOM 0 HD13 ILE A 27 43.047 6.769 -3.185 1.00 0.01 H new ATOM 408 N THR A 28 41.582 6.088 -8.899 1.00 0.02 N ATOM 409 CA THR A 28 40.490 5.469 -9.639 1.00 0.02 C ATOM 410 C THR A 28 39.835 4.337 -8.884 1.00 0.02 C ATOM 411 O THR A 28 40.410 3.735 -7.982 1.00 0.00 O ATOM 412 CB THR A 28 40.917 4.973 -11.031 1.00 0.02 C ATOM 413 OG1 THR A 28 41.538 3.660 -11.025 1.00 0.01 O ATOM 414 CG2 THR A 28 41.778 6.002 -11.764 1.00 0.02 C ATOM 0 H THR A 28 42.522 5.739 -9.085 1.00 0.02 H new ATOM 0 HA THR A 28 39.758 6.267 -9.766 1.00 0.02 H new ATOM 0 HB THR A 28 39.989 4.854 -11.590 1.00 0.02 H new ATOM 0 HG1 THR A 28 41.781 3.409 -11.941 1.00 0.01 H new ATOM 0 HG21 THR A 28 42.058 5.612 -12.743 1.00 0.02 H new ATOM 0 HG22 THR A 28 41.213 6.926 -11.890 1.00 0.02 H new ATOM 0 HG23 THR A 28 42.678 6.203 -11.183 1.00 0.02 H new ATOM 422 N THR A 29 38.645 3.945 -9.381 1.00 0.01 N ATOM 423 CA THR A 29 37.936 2.850 -8.695 1.00 0.02 C ATOM 424 C THR A 29 38.793 1.570 -8.695 1.00 0.02 C ATOM 425 O THR A 29 39.012 0.748 -7.797 1.00 0.02 O ATOM 426 CB THR A 29 36.592 2.613 -9.418 1.00 0.01 C ATOM 427 OG1 THR A 29 36.826 1.878 -10.633 1.00 0.02 O ATOM 428 CG2 THR A 29 35.814 3.894 -9.735 1.00 0.02 C ATOM 0 H THR A 29 38.180 4.339 -10.199 1.00 0.01 H new ATOM 0 HA THR A 29 37.750 3.119 -7.655 1.00 0.02 H new ATOM 0 HB THR A 29 35.969 2.045 -8.727 1.00 0.01 H new ATOM 0 HG1 THR A 29 35.974 1.725 -11.092 1.00 0.02 H new ATOM 0 HG21 THR A 29 34.884 3.639 -10.242 1.00 0.02 H new ATOM 0 HG22 THR A 29 35.589 4.422 -8.808 1.00 0.02 H new ATOM 0 HG23 THR A 29 36.415 4.534 -10.381 1.00 0.02 H new ATOM 436 N LYS A 30 39.360 1.411 -9.905 1.00 0.02 N ATOM 437 CA LYS A 30 40.250 0.274 -10.061 1.00 0.02 C ATOM 438 C LYS A 30 41.430 0.310 -9.117 1.00 0.01 C ATOM 439 O LYS A 30 41.793 -0.711 -8.520 1.00 0.00 O ATOM 440 CB LYS A 30 40.713 0.099 -11.505 1.00 0.03 C ATOM 441 CG LYS A 30 41.303 -1.292 -11.774 1.00 0.03 C ATOM 442 CD LYS A 30 40.257 -2.407 -11.666 1.00 0.03 C ATOM 443 CE LYS A 30 40.558 -3.449 -10.588 1.00 0.02 C ATOM 444 NZ LYS A 30 40.548 -2.825 -9.259 1.00 0.02 N ATOM 0 H LYS A 30 39.228 2.008 -10.722 1.00 0.02 H new ATOM 0 HA LYS A 30 39.656 -0.599 -9.791 1.00 0.02 H new ATOM 0 HB2 LYS A 30 39.870 0.267 -12.175 1.00 0.03 H new ATOM 0 HB3 LYS A 30 41.461 0.857 -11.737 1.00 0.03 H new ATOM 0 HG2 LYS A 30 41.745 -1.309 -12.770 1.00 0.03 H new ATOM 0 HG3 LYS A 30 42.108 -1.484 -11.065 1.00 0.03 H new ATOM 0 HD2 LYS A 30 39.285 -1.959 -11.460 1.00 0.03 H new ATOM 0 HD3 LYS A 30 40.178 -2.910 -12.630 1.00 0.03 H new ATOM 0 HE2 LYS A 30 39.817 -4.248 -10.628 1.00 0.02 H new ATOM 0 HE3 LYS A 30 41.530 -3.906 -10.775 1.00 0.02 H new ATOM 0 HZ1 LYS A 30 40.636 -3.561 -8.529 1.00 0.02 H new ATOM 0 HZ2 LYS A 30 41.346 -2.163 -9.180 1.00 0.02 H new ATOM 0 HZ3 LYS A 30 39.655 -2.309 -9.125 1.00 0.02 H new ATOM 458 N GLU A 31 42.013 1.509 -9.024 1.00 0.02 N ATOM 459 CA GLU A 31 43.085 1.705 -8.061 1.00 0.01 C ATOM 460 C GLU A 31 42.654 1.359 -6.671 1.00 0.02 C ATOM 461 O GLU A 31 43.331 0.567 -6.034 1.00 0.02 O ATOM 462 CB GLU A 31 43.662 3.097 -8.101 1.00 0.02 C ATOM 463 CG GLU A 31 44.459 3.327 -9.379 1.00 0.02 C ATOM 464 CD GLU A 31 45.074 4.700 -9.307 1.00 0.02 C ATOM 465 OE1 GLU A 31 44.434 5.585 -8.755 1.00 0.00 O ATOM 466 OE2 GLU A 31 46.189 4.854 -9.786 1.00 0.01 O ATOM 0 H GLU A 31 41.769 2.326 -9.583 1.00 0.02 H new ATOM 0 HA GLU A 31 43.877 1.018 -8.358 1.00 0.01 H new ATOM 0 HB2 GLU A 31 42.857 3.829 -8.035 1.00 0.02 H new ATOM 0 HB3 GLU A 31 44.306 3.252 -7.235 1.00 0.02 H new ATOM 0 HG2 GLU A 31 45.234 2.568 -9.486 1.00 0.02 H new ATOM 0 HG3 GLU A 31 43.811 3.246 -10.252 1.00 0.02 H new ATOM 473 N LEU A 32 41.449 1.800 -6.287 1.00 0.02 N ATOM 474 CA LEU A 32 40.885 1.398 -4.998 1.00 0.02 C ATOM 475 C LEU A 32 40.895 -0.099 -4.803 1.00 0.02 C ATOM 476 O LEU A 32 41.204 -0.642 -3.749 1.00 0.00 O ATOM 477 CB LEU A 32 39.474 1.954 -4.792 1.00 0.02 C ATOM 478 CG LEU A 32 38.930 1.674 -3.384 1.00 0.02 C ATOM 479 CD1 LEU A 32 38.146 2.862 -2.847 1.00 0.02 C ATOM 480 CD2 LEU A 32 38.137 0.366 -3.284 1.00 0.00 C ATOM 0 H LEU A 32 40.859 2.422 -6.839 1.00 0.02 H new ATOM 0 HA LEU A 32 41.536 1.833 -4.240 1.00 0.02 H new ATOM 0 HB2 LEU A 32 39.482 3.030 -4.967 1.00 0.02 H new ATOM 0 HB3 LEU A 32 38.803 1.516 -5.531 1.00 0.02 H new ATOM 0 HG LEU A 32 39.801 1.533 -2.744 1.00 0.02 H new ATOM 0 HD11 LEU A 32 37.774 2.631 -1.849 1.00 0.02 H new ATOM 0 HD12 LEU A 32 38.796 3.736 -2.799 1.00 0.02 H new ATOM 0 HD13 LEU A 32 37.305 3.071 -3.508 1.00 0.02 H new ATOM 0 HD21 LEU A 32 37.783 0.232 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 32 37.284 0.405 -3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 32 38.780 -0.471 -3.558 1.00 0.00 H new ATOM 492 N GLY A 33 40.592 -0.800 -5.903 1.00 0.00 N ATOM 493 CA GLY A 33 40.703 -2.252 -5.810 1.00 0.03 C ATOM 494 C GLY A 33 42.079 -2.692 -5.380 1.00 0.02 C ATOM 495 O GLY A 33 42.285 -3.485 -4.477 1.00 0.02 O ATOM 0 H GLY A 33 40.291 -0.420 -6.800 1.00 0.00 H new ATOM 0 HA2 GLY A 33 39.965 -2.626 -5.100 1.00 0.03 H new ATOM 0 HA3 GLY A 33 40.468 -2.695 -6.778 1.00 0.03 H new ATOM 499 N THR A 34 43.055 -2.114 -6.064 1.00 0.02 N ATOM 500 CA THR A 34 44.431 -2.342 -5.625 1.00 0.02 C ATOM 501 C THR A 34 44.707 -1.974 -4.177 1.00 0.00 C ATOM 502 O THR A 34 45.247 -2.795 -3.449 1.00 0.02 O ATOM 503 CB THR A 34 45.351 -1.681 -6.635 1.00 0.02 C ATOM 504 OG1 THR A 34 44.948 -2.215 -7.907 1.00 0.02 O ATOM 505 CG2 THR A 34 46.847 -1.880 -6.369 1.00 0.02 C ATOM 0 H THR A 34 42.938 -1.515 -6.881 1.00 0.02 H new ATOM 0 HA THR A 34 44.628 -3.414 -5.609 1.00 0.02 H new ATOM 0 HB THR A 34 45.247 -0.597 -6.582 1.00 0.02 H new ATOM 0 HG1 THR A 34 45.504 -1.828 -8.615 1.00 0.02 H new ATOM 0 HG21 THR A 34 47.425 -1.373 -7.142 1.00 0.02 H new ATOM 0 HG22 THR A 34 47.102 -1.465 -5.394 1.00 0.02 H new ATOM 0 HG23 THR A 34 47.080 -2.945 -6.382 1.00 0.02 H new ATOM 513 N VAL A 35 44.179 -0.811 -3.778 1.00 0.01 N ATOM 514 CA VAL A 35 44.231 -0.294 -2.410 1.00 0.02 C ATOM 515 C VAL A 35 43.717 -1.295 -1.386 1.00 0.02 C ATOM 516 O VAL A 35 44.473 -1.868 -0.610 1.00 0.02 O ATOM 517 CB VAL A 35 43.423 1.012 -2.355 1.00 0.02 C ATOM 518 CG1 VAL A 35 43.267 1.588 -0.949 1.00 0.02 C ATOM 519 CG2 VAL A 35 43.967 2.028 -3.353 1.00 0.00 C ATOM 0 H VAL A 35 43.690 -0.187 -4.419 1.00 0.01 H new ATOM 0 HA VAL A 35 45.272 -0.107 -2.148 1.00 0.02 H new ATOM 0 HB VAL A 35 42.406 0.760 -2.655 1.00 0.02 H new ATOM 0 HG11 VAL A 35 42.685 2.509 -0.995 1.00 0.02 H new ATOM 0 HG12 VAL A 35 42.753 0.866 -0.315 1.00 0.02 H new ATOM 0 HG13 VAL A 35 44.251 1.802 -0.532 1.00 0.02 H new ATOM 0 HG21 VAL A 35 43.379 2.944 -3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 35 45.008 2.249 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 35 43.903 1.618 -4.361 1.00 0.00 H new ATOM 529 N MET A 36 42.412 -1.545 -1.453 1.00 0.02 N ATOM 530 CA MET A 36 41.834 -2.495 -0.508 1.00 0.02 C ATOM 531 C MET A 36 42.510 -3.851 -0.552 1.00 0.00 C ATOM 532 O MET A 36 42.819 -4.499 0.441 1.00 0.02 O ATOM 533 CB MET A 36 40.325 -2.583 -0.731 1.00 0.02 C ATOM 534 CG MET A 36 39.589 -1.368 -0.157 1.00 0.01 C ATOM 535 SD MET A 36 39.803 -1.252 1.628 1.00 0.01 S ATOM 536 CE MET A 36 40.905 0.171 1.682 1.00 0.02 C ATOM 0 H MET A 36 41.761 -1.126 -2.118 1.00 0.02 H new ATOM 0 HA MET A 36 42.013 -2.125 0.502 1.00 0.02 H new ATOM 0 HB2 MET A 36 40.120 -2.660 -1.799 1.00 0.02 H new ATOM 0 HB3 MET A 36 39.942 -3.492 -0.267 1.00 0.02 H new ATOM 0 HG2 MET A 36 39.961 -0.459 -0.629 1.00 0.01 H new ATOM 0 HG3 MET A 36 38.527 -1.439 -0.394 1.00 0.01 H new ATOM 0 HE1 MET A 36 41.054 0.476 2.718 1.00 0.02 H new ATOM 0 HE2 MET A 36 41.865 -0.095 1.240 1.00 0.02 H new ATOM 0 HE3 MET A 36 40.463 0.995 1.121 1.00 0.02 H new ATOM 546 N ARG A 37 42.814 -4.232 -1.796 1.00 0.02 N ATOM 547 CA ARG A 37 43.575 -5.460 -1.993 1.00 0.00 C ATOM 548 C ARG A 37 44.950 -5.474 -1.345 1.00 0.01 C ATOM 549 O ARG A 37 45.399 -6.502 -0.859 1.00 0.02 O ATOM 550 CB ARG A 37 43.732 -5.761 -3.477 1.00 0.02 C ATOM 551 CG ARG A 37 44.038 -7.210 -3.780 1.00 0.02 C ATOM 552 CD ARG A 37 42.784 -8.047 -4.039 1.00 0.00 C ATOM 553 NE ARG A 37 42.972 -9.398 -3.501 1.00 0.02 N ATOM 554 CZ ARG A 37 43.786 -10.283 -4.115 1.00 0.02 C ATOM 555 NH1 ARG A 37 44.369 -9.947 -5.266 1.00 0.02 N ATOM 556 NH2 ARG A 37 44.017 -11.476 -3.573 1.00 0.02 N ATOM 0 H ARG A 37 42.557 -3.730 -2.646 1.00 0.02 H new ATOM 0 HA ARG A 37 42.987 -6.229 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 37 42.815 -5.478 -3.994 1.00 0.02 H new ATOM 0 HB3 ARG A 37 44.531 -5.139 -3.881 1.00 0.02 H new ATOM 0 HG2 ARG A 37 44.689 -7.263 -4.652 1.00 0.02 H new ATOM 0 HG3 ARG A 37 44.589 -7.641 -2.944 1.00 0.02 H new ATOM 0 HD2 ARG A 37 41.918 -7.577 -3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 37 42.582 -8.096 -5.109 1.00 0.00 H new ATOM 0 HE ARG A 37 42.481 -9.673 -2.651 1.00 0.02 H new ATOM 0 HH11 ARG A 37 44.198 -9.028 -5.675 1.00 0.02 H new ATOM 0 HH12 ARG A 37 44.986 -10.609 -5.738 1.00 0.02 H new ATOM 0 HH21 ARG A 37 43.578 -11.727 -2.687 1.00 0.02 H new ATOM 0 HH22 ARG A 37 44.633 -12.139 -4.043 1.00 0.02 H new ATOM 570 N SER A 38 45.597 -4.309 -1.366 1.00 0.02 N ATOM 571 CA SER A 38 46.975 -4.218 -0.886 1.00 0.02 C ATOM 572 C SER A 38 47.063 -4.442 0.605 1.00 0.02 C ATOM 573 O SER A 38 47.968 -5.071 1.132 1.00 0.02 O ATOM 574 CB SER A 38 47.638 -2.888 -1.292 1.00 0.00 C ATOM 575 OG SER A 38 47.015 -1.770 -0.649 1.00 0.02 O ATOM 0 H SER A 38 45.199 -3.432 -1.703 1.00 0.02 H new ATOM 0 HA SER A 38 47.532 -5.019 -1.371 1.00 0.02 H new ATOM 0 HB2 SER A 38 48.696 -2.914 -1.032 1.00 0.00 H new ATOM 0 HB3 SER A 38 47.578 -2.766 -2.374 1.00 0.00 H new ATOM 0 HG SER A 38 46.091 -1.999 -0.417 1.00 0.02 H new ATOM 581 N LEU A 39 46.001 -3.943 1.250 1.00 0.02 N ATOM 582 CA LEU A 39 45.853 -4.140 2.688 1.00 0.00 C ATOM 583 C LEU A 39 45.480 -5.571 3.068 1.00 0.02 C ATOM 584 O LEU A 39 45.323 -5.908 4.235 1.00 0.03 O ATOM 585 CB LEU A 39 44.820 -3.134 3.208 1.00 0.01 C ATOM 586 CG LEU A 39 45.258 -1.666 3.405 1.00 0.02 C ATOM 587 CD1 LEU A 39 46.145 -1.049 2.319 1.00 0.00 C ATOM 588 CD2 LEU A 39 44.025 -0.792 3.609 1.00 0.02 C ATOM 0 H LEU A 39 45.250 -3.413 0.807 1.00 0.02 H new ATOM 0 HA LEU A 39 46.821 -3.967 3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 39 43.976 -3.139 2.518 1.00 0.01 H new ATOM 0 HB3 LEU A 39 44.451 -3.502 4.166 1.00 0.01 H new ATOM 0 HG LEU A 39 45.900 -1.698 4.285 1.00 0.02 H new ATOM 0 HD11 LEU A 39 46.378 -0.017 2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 39 47.070 -1.620 2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 39 45.619 -1.070 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 39 44.333 0.244 3.748 1.00 0.02 H new ATOM 0 HD22 LEU A 39 43.379 -0.864 2.734 1.00 0.02 H new ATOM 0 HD23 LEU A 39 43.481 -1.130 4.491 1.00 0.02 H new ATOM 600 N GLY A 40 45.332 -6.394 2.016 1.00 0.02 N ATOM 601 CA GLY A 40 45.078 -7.809 2.240 1.00 0.02 C ATOM 602 C GLY A 40 43.603 -8.141 2.249 1.00 0.01 C ATOM 603 O GLY A 40 43.078 -8.710 3.191 1.00 0.02 O ATOM 0 H GLY A 40 45.383 -6.108 1.038 1.00 0.02 H new ATOM 0 HA2 GLY A 40 45.573 -8.391 1.462 1.00 0.02 H new ATOM 0 HA3 GLY A 40 45.520 -8.107 3.191 1.00 0.02 H new ATOM 607 N GLN A 41 42.940 -7.767 1.145 1.00 0.01 N ATOM 608 CA GLN A 41 41.486 -7.962 1.087 1.00 0.01 C ATOM 609 C GLN A 41 41.086 -8.283 -0.336 1.00 0.02 C ATOM 610 O GLN A 41 41.929 -8.249 -1.222 1.00 0.02 O ATOM 611 CB GLN A 41 40.719 -6.713 1.552 1.00 0.02 C ATOM 612 CG GLN A 41 40.857 -6.309 3.029 1.00 0.00 C ATOM 613 CD GLN A 41 40.435 -7.435 3.961 1.00 0.02 C ATOM 614 OE1 GLN A 41 41.081 -7.711 4.963 1.00 0.02 O ATOM 615 NE2 GLN A 41 39.329 -8.091 3.582 1.00 0.00 N ATOM 0 H GLN A 41 43.363 -7.347 0.317 1.00 0.01 H new ATOM 0 HA GLN A 41 41.232 -8.783 1.758 1.00 0.01 H new ATOM 0 HB2 GLN A 41 41.043 -5.871 0.940 1.00 0.02 H new ATOM 0 HB3 GLN A 41 39.661 -6.870 1.343 1.00 0.02 H new ATOM 0 HG2 GLN A 41 41.891 -6.033 3.236 1.00 0.00 H new ATOM 0 HG3 GLN A 41 40.247 -5.427 3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 41 38.835 -7.811 2.735 1.00 0.00 H new ATOM 0 HE22 GLN A 41 38.981 -8.870 4.141 1.00 0.00 H new ATOM 624 N ASN A 42 39.793 -8.565 -0.575 1.00 0.02 N ATOM 625 CA ASN A 42 39.368 -8.734 -1.973 1.00 0.01 C ATOM 626 C ASN A 42 38.052 -8.041 -2.257 1.00 0.00 C ATOM 627 O ASN A 42 37.008 -8.551 -1.885 1.00 0.02 O ATOM 628 CB ASN A 42 39.257 -10.218 -2.350 1.00 0.02 C ATOM 629 CG ASN A 42 39.119 -10.411 -3.856 1.00 0.02 C ATOM 630 OD1 ASN A 42 38.901 -9.502 -4.641 1.00 0.02 O ATOM 631 ND2 ASN A 42 39.321 -11.672 -4.243 1.00 0.01 N ATOM 0 H ASN A 42 39.066 -8.675 0.132 1.00 0.02 H new ATOM 0 HA ASN A 42 40.140 -8.268 -2.585 1.00 0.01 H new ATOM 0 HB2 ASN A 42 40.139 -10.750 -1.995 1.00 0.02 H new ATOM 0 HB3 ASN A 42 38.396 -10.657 -1.847 1.00 0.02 H new ATOM 0 HD21 ASN A 42 39.297 -11.911 -5.234 1.00 0.01 H new ATOM 0 HD22 ASN A 42 39.500 -12.397 -3.548 1.00 0.01 H new ATOM 638 N PRO A 43 38.175 -6.859 -2.891 1.00 0.02 N ATOM 639 CA PRO A 43 36.980 -6.104 -3.245 1.00 0.00 C ATOM 640 C PRO A 43 36.398 -6.546 -4.590 1.00 0.01 C ATOM 641 O PRO A 43 37.110 -6.791 -5.570 1.00 0.01 O ATOM 642 CB PRO A 43 37.549 -4.682 -3.210 1.00 0.02 C ATOM 643 CG PRO A 43 38.980 -4.804 -3.730 1.00 0.02 C ATOM 644 CD PRO A 43 39.419 -6.167 -3.223 1.00 0.01 C ATOM 0 HA PRO A 43 36.116 -6.233 -2.593 1.00 0.00 H new ATOM 0 HB2 PRO A 43 36.961 -4.008 -3.833 1.00 0.02 H new ATOM 0 HB3 PRO A 43 37.532 -4.277 -2.198 1.00 0.02 H new ATOM 0 HG2 PRO A 43 39.019 -4.747 -4.818 1.00 0.02 H new ATOM 0 HG3 PRO A 43 39.617 -4.007 -3.346 1.00 0.02 H new ATOM 0 HD2 PRO A 43 39.983 -6.709 -3.982 1.00 0.01 H new ATOM 0 HD3 PRO A 43 40.066 -6.075 -2.351 1.00 0.01 H new ATOM 652 N THR A 44 35.065 -6.661 -4.585 1.00 0.02 N ATOM 653 CA THR A 44 34.381 -6.965 -5.839 1.00 0.01 C ATOM 654 C THR A 44 34.353 -5.718 -6.727 1.00 0.02 C ATOM 655 O THR A 44 34.760 -4.647 -6.297 1.00 0.02 O ATOM 656 CB THR A 44 32.996 -7.536 -5.475 1.00 0.00 C ATOM 657 OG1 THR A 44 33.177 -8.527 -4.454 1.00 0.01 O ATOM 658 CG2 THR A 44 32.188 -8.134 -6.632 1.00 0.02 C ATOM 0 H THR A 44 34.465 -6.554 -3.767 1.00 0.02 H new ATOM 0 HA THR A 44 34.899 -7.718 -6.433 1.00 0.01 H new ATOM 0 HB THR A 44 32.401 -6.686 -5.141 1.00 0.00 H new ATOM 0 HG1 THR A 44 32.307 -8.903 -4.205 1.00 0.01 H new ATOM 0 HG21 THR A 44 31.234 -8.503 -6.257 1.00 0.02 H new ATOM 0 HG22 THR A 44 32.009 -7.367 -7.386 1.00 0.02 H new ATOM 0 HG23 THR A 44 32.746 -8.958 -7.078 1.00 0.02 H new ATOM 666 N GLU A 45 33.914 -5.872 -7.993 1.00 0.02 N ATOM 667 CA GLU A 45 33.770 -4.677 -8.836 1.00 0.02 C ATOM 668 C GLU A 45 32.908 -3.599 -8.213 1.00 0.02 C ATOM 669 O GLU A 45 33.252 -2.420 -8.228 1.00 0.01 O ATOM 670 CB GLU A 45 33.234 -5.035 -10.219 1.00 0.01 C ATOM 671 CG GLU A 45 34.287 -5.761 -11.054 1.00 0.02 C ATOM 672 CD GLU A 45 33.796 -5.940 -12.475 1.00 0.02 C ATOM 673 OE1 GLU A 45 33.169 -6.963 -12.756 1.00 0.02 O ATOM 674 OE2 GLU A 45 34.068 -5.065 -13.299 1.00 0.02 O ATOM 0 H GLU A 45 33.667 -6.759 -8.431 1.00 0.02 H new ATOM 0 HA GLU A 45 34.775 -4.266 -8.932 1.00 0.02 H new ATOM 0 HB2 GLU A 45 32.351 -5.665 -10.117 1.00 0.01 H new ATOM 0 HB3 GLU A 45 32.920 -4.128 -10.735 1.00 0.01 H new ATOM 0 HG2 GLU A 45 35.218 -5.194 -11.052 1.00 0.02 H new ATOM 0 HG3 GLU A 45 34.505 -6.733 -10.612 1.00 0.02 H new ATOM 681 N ALA A 46 31.828 -4.129 -7.593 1.00 0.00 N ATOM 682 CA ALA A 46 30.940 -3.272 -6.816 1.00 0.01 C ATOM 683 C ALA A 46 31.750 -2.512 -5.798 1.00 0.00 C ATOM 684 O ALA A 46 31.740 -1.303 -5.730 1.00 0.01 O ATOM 685 CB ALA A 46 29.854 -4.105 -6.130 1.00 0.01 C ATOM 0 H ALA A 46 31.566 -5.115 -7.620 1.00 0.00 H new ATOM 0 HA ALA A 46 30.447 -2.564 -7.483 1.00 0.01 H new ATOM 0 HB1 ALA A 46 29.201 -3.449 -5.555 1.00 0.01 H new ATOM 0 HB2 ALA A 46 29.268 -4.630 -6.884 1.00 0.01 H new ATOM 0 HB3 ALA A 46 30.319 -4.830 -5.462 1.00 0.01 H new ATOM 691 N GLU A 47 32.627 -3.248 -5.122 1.00 0.02 N ATOM 692 CA GLU A 47 33.344 -2.530 -4.079 1.00 0.00 C ATOM 693 C GLU A 47 34.216 -1.415 -4.579 1.00 0.00 C ATOM 694 O GLU A 47 34.540 -0.500 -3.865 1.00 0.02 O ATOM 695 CB GLU A 47 34.155 -3.496 -3.225 1.00 0.02 C ATOM 696 CG GLU A 47 33.346 -4.203 -2.133 1.00 0.00 C ATOM 697 CD GLU A 47 31.997 -4.637 -2.666 1.00 0.01 C ATOM 698 OE1 GLU A 47 31.960 -5.508 -3.534 1.00 0.02 O ATOM 699 OE2 GLU A 47 30.997 -4.085 -2.230 1.00 0.02 O ATOM 0 H GLU A 47 32.844 -4.236 -5.254 1.00 0.02 H new ATOM 0 HA GLU A 47 32.574 -2.053 -3.472 1.00 0.00 H new ATOM 0 HB2 GLU A 47 34.603 -4.249 -3.874 1.00 0.02 H new ATOM 0 HB3 GLU A 47 34.974 -2.950 -2.758 1.00 0.02 H new ATOM 0 HG2 GLU A 47 33.896 -5.071 -1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 47 33.209 -3.534 -1.283 1.00 0.00 H new ATOM 706 N LEU A 48 34.629 -1.502 -5.839 1.00 0.01 N ATOM 707 CA LEU A 48 35.467 -0.372 -6.272 1.00 0.02 C ATOM 708 C LEU A 48 34.666 0.916 -6.465 1.00 0.01 C ATOM 709 O LEU A 48 34.984 1.995 -5.985 1.00 0.00 O ATOM 710 CB LEU A 48 36.205 -0.784 -7.542 1.00 0.01 C ATOM 711 CG LEU A 48 37.344 -1.809 -7.415 1.00 0.01 C ATOM 712 CD1 LEU A 48 37.328 -2.719 -6.193 1.00 0.01 C ATOM 713 CD2 LEU A 48 37.388 -2.656 -8.676 1.00 0.02 C ATOM 0 H LEU A 48 34.434 -2.242 -6.513 1.00 0.01 H new ATOM 0 HA LEU A 48 36.187 -0.141 -5.487 1.00 0.02 H new ATOM 0 HB2 LEU A 48 35.470 -1.186 -8.240 1.00 0.01 H new ATOM 0 HB3 LEU A 48 36.616 0.117 -7.997 1.00 0.01 H new ATOM 0 HG LEU A 48 38.240 -1.204 -7.278 1.00 0.01 H new ATOM 0 HD11 LEU A 48 38.185 -3.391 -6.229 1.00 0.01 H new ATOM 0 HD12 LEU A 48 37.379 -2.114 -5.288 1.00 0.01 H new ATOM 0 HD13 LEU A 48 36.408 -3.304 -6.187 1.00 0.01 H new ATOM 0 HD21 LEU A 48 38.193 -3.386 -8.596 1.00 0.02 H new ATOM 0 HD22 LEU A 48 36.438 -3.175 -8.799 1.00 0.02 H new ATOM 0 HD23 LEU A 48 37.565 -2.014 -9.539 1.00 0.02 H new ATOM 725 N GLN A 49 33.569 0.690 -7.209 1.00 0.00 N ATOM 726 CA GLN A 49 32.639 1.787 -7.460 1.00 0.00 C ATOM 727 C GLN A 49 32.026 2.348 -6.185 1.00 0.00 C ATOM 728 O GLN A 49 31.995 3.545 -5.935 1.00 0.02 O ATOM 729 CB GLN A 49 31.565 1.293 -8.431 1.00 0.01 C ATOM 730 CG GLN A 49 30.608 2.390 -8.902 1.00 0.02 C ATOM 731 CD GLN A 49 30.721 2.518 -10.403 1.00 0.02 C ATOM 732 OE1 GLN A 49 29.876 2.091 -11.177 1.00 0.00 O ATOM 733 NE2 GLN A 49 31.862 3.082 -10.824 1.00 0.01 N ATOM 0 H GLN A 49 33.317 -0.205 -7.628 1.00 0.00 H new ATOM 0 HA GLN A 49 33.190 2.618 -7.901 1.00 0.00 H new ATOM 0 HB2 GLN A 49 32.050 0.849 -9.300 1.00 0.01 H new ATOM 0 HB3 GLN A 49 30.989 0.503 -7.950 1.00 0.01 H new ATOM 0 HG2 GLN A 49 29.584 2.145 -8.619 1.00 0.02 H new ATOM 0 HG3 GLN A 49 30.853 3.337 -8.422 1.00 0.02 H new ATOM 0 HE21 GLN A 49 32.542 3.426 -10.146 1.00 0.01 H new ATOM 0 HE22 GLN A 49 32.051 3.167 -11.823 1.00 0.01 H new ATOM 742 N ASP A 50 31.566 1.392 -5.384 1.00 0.01 N ATOM 743 CA ASP A 50 30.842 1.723 -4.172 1.00 0.01 C ATOM 744 C ASP A 50 31.758 2.261 -3.111 1.00 0.00 C ATOM 745 O ASP A 50 31.451 3.242 -2.470 1.00 0.01 O ATOM 746 CB ASP A 50 30.042 0.538 -3.617 1.00 0.01 C ATOM 747 CG ASP A 50 28.946 0.090 -4.573 1.00 0.00 C ATOM 748 OD1 ASP A 50 28.074 0.892 -4.926 1.00 0.01 O ATOM 749 OD2 ASP A 50 28.962 -1.078 -4.953 1.00 0.00 O ATOM 0 H ASP A 50 31.682 0.393 -5.554 1.00 0.01 H new ATOM 0 HA ASP A 50 30.131 2.500 -4.453 1.00 0.01 H new ATOM 0 HB2 ASP A 50 30.717 -0.296 -3.423 1.00 0.01 H new ATOM 0 HB3 ASP A 50 29.598 0.817 -2.662 1.00 0.01 H new ATOM 754 N MET A 51 32.935 1.642 -2.947 1.00 0.01 N ATOM 755 CA MET A 51 33.826 2.182 -1.910 1.00 0.02 C ATOM 756 C MET A 51 34.320 3.580 -2.184 1.00 0.02 C ATOM 757 O MET A 51 34.586 4.331 -1.266 1.00 0.01 O ATOM 758 CB MET A 51 35.094 1.367 -1.667 1.00 0.01 C ATOM 759 CG MET A 51 35.013 0.019 -0.954 1.00 0.01 C ATOM 760 SD MET A 51 33.376 -0.700 -0.897 1.00 0.01 S ATOM 761 CE MET A 51 33.177 -0.496 0.874 1.00 0.01 C ATOM 0 H MET A 51 33.274 0.834 -3.469 1.00 0.01 H new ATOM 0 HA MET A 51 33.168 2.151 -1.042 1.00 0.02 H new ATOM 0 HB2 MET A 51 35.558 1.192 -2.638 1.00 0.01 H new ATOM 0 HB3 MET A 51 35.778 1.995 -1.096 1.00 0.01 H new ATOM 0 HG2 MET A 51 35.685 -0.680 -1.451 1.00 0.01 H new ATOM 0 HG3 MET A 51 35.377 0.141 0.066 1.00 0.01 H new ATOM 0 HE1 MET A 51 32.141 -0.695 1.149 1.00 0.01 H new ATOM 0 HE2 MET A 51 33.831 -1.194 1.396 1.00 0.01 H new ATOM 0 HE3 MET A 51 33.438 0.525 1.154 1.00 0.01 H new ATOM 771 N ILE A 52 34.481 3.880 -3.484 1.00 0.02 N ATOM 772 CA ILE A 52 34.732 5.286 -3.827 1.00 0.00 C ATOM 773 C ILE A 52 33.522 6.151 -3.511 1.00 0.02 C ATOM 774 O ILE A 52 33.576 7.058 -2.702 1.00 0.00 O ATOM 775 CB ILE A 52 35.207 5.407 -5.289 1.00 0.01 C ATOM 776 CG1 ILE A 52 36.660 4.922 -5.305 1.00 0.00 C ATOM 777 CG2 ILE A 52 35.102 6.841 -5.836 1.00 0.00 C ATOM 778 CD1 ILE A 52 37.552 5.514 -6.396 1.00 0.02 C ATOM 0 H ILE A 52 34.446 3.222 -4.262 1.00 0.02 H new ATOM 0 HA ILE A 52 35.541 5.667 -3.204 1.00 0.00 H new ATOM 0 HB ILE A 52 34.569 4.808 -5.938 1.00 0.01 H new ATOM 0 HG12 ILE A 52 37.107 5.145 -4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 52 36.659 3.837 -5.413 1.00 0.00 H new ATOM 0 HG21 ILE A 52 35.450 6.863 -6.869 1.00 0.00 H new ATOM 0 HG22 ILE A 52 34.064 7.170 -5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 52 35.717 7.507 -5.231 1.00 0.00 H new ATOM 0 HD11 ILE A 52 38.556 5.099 -6.310 1.00 0.02 H new ATOM 0 HD12 ILE A 52 37.141 5.269 -7.375 1.00 0.02 H new ATOM 0 HD13 ILE A 52 37.596 6.597 -6.282 1.00 0.02 H new ATOM 790 N ASN A 53 32.400 5.741 -4.121 1.00 0.02 N ATOM 791 CA ASN A 53 31.195 6.576 -4.018 1.00 0.02 C ATOM 792 C ASN A 53 30.702 6.832 -2.597 1.00 0.00 C ATOM 793 O ASN A 53 30.166 7.874 -2.239 1.00 0.01 O ATOM 794 CB ASN A 53 30.098 5.961 -4.884 1.00 0.01 C ATOM 795 CG ASN A 53 28.960 6.928 -5.148 1.00 0.02 C ATOM 796 OD1 ASN A 53 28.961 8.110 -4.858 1.00 0.01 O ATOM 797 ND2 ASN A 53 27.951 6.372 -5.795 1.00 0.00 N ATOM 0 H ASN A 53 32.301 4.883 -4.663 1.00 0.02 H new ATOM 0 HA ASN A 53 31.468 7.567 -4.381 1.00 0.02 H new ATOM 0 HB2 ASN A 53 30.526 5.640 -5.834 1.00 0.01 H new ATOM 0 HB3 ASN A 53 29.707 5.070 -4.392 1.00 0.01 H new ATOM 0 HD21 ASN A 53 27.145 6.936 -6.065 1.00 0.00 H new ATOM 0 HD22 ASN A 53 27.978 5.379 -6.025 1.00 0.00 H new ATOM 804 N GLU A 54 30.948 5.819 -1.765 1.00 0.00 N ATOM 805 CA GLU A 54 30.561 5.961 -0.367 1.00 0.00 C ATOM 806 C GLU A 54 31.327 7.029 0.388 1.00 0.01 C ATOM 807 O GLU A 54 30.852 7.533 1.409 1.00 0.00 O ATOM 808 CB GLU A 54 30.634 4.635 0.411 1.00 0.00 C ATOM 809 CG GLU A 54 32.060 4.103 0.624 1.00 0.01 C ATOM 810 CD GLU A 54 32.124 2.980 1.646 1.00 0.01 C ATOM 811 OE1 GLU A 54 31.328 2.050 1.572 1.00 0.01 O ATOM 812 OE2 GLU A 54 32.979 3.020 2.527 1.00 0.01 O ATOM 0 H GLU A 54 31.390 4.936 -2.019 1.00 0.00 H new ATOM 0 HA GLU A 54 29.522 6.284 -0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 54 30.161 4.772 1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 54 30.054 3.882 -0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 54 32.455 3.745 -0.327 1.00 0.01 H new ATOM 0 HG3 GLU A 54 32.703 4.921 0.949 1.00 0.01 H new ATOM 819 N VAL A 55 32.534 7.310 -0.121 1.00 0.01 N ATOM 820 CA VAL A 55 33.371 8.336 0.473 1.00 0.02 C ATOM 821 C VAL A 55 33.695 9.486 -0.465 1.00 0.02 C ATOM 822 O VAL A 55 34.573 10.291 -0.182 1.00 0.02 O ATOM 823 CB VAL A 55 34.645 7.710 1.064 1.00 0.01 C ATOM 824 CG1 VAL A 55 34.261 6.753 2.192 1.00 0.01 C ATOM 825 CG2 VAL A 55 35.539 7.031 0.020 1.00 0.01 C ATOM 0 H VAL A 55 32.940 6.843 -0.932 1.00 0.01 H new ATOM 0 HA VAL A 55 32.788 8.783 1.278 1.00 0.02 H new ATOM 0 HB VAL A 55 35.253 8.521 1.465 1.00 0.01 H new ATOM 0 HG11 VAL A 55 35.162 6.307 2.613 1.00 0.01 H new ATOM 0 HG12 VAL A 55 33.730 7.302 2.970 1.00 0.01 H new ATOM 0 HG13 VAL A 55 33.617 5.967 1.798 1.00 0.01 H new ATOM 0 HG21 VAL A 55 36.418 6.613 0.510 1.00 0.01 H new ATOM 0 HG22 VAL A 55 34.983 6.232 -0.471 1.00 0.01 H new ATOM 0 HG23 VAL A 55 35.853 7.765 -0.723 1.00 0.01 H new ATOM 835 N ASP A 56 32.956 9.528 -1.586 1.00 0.01 N ATOM 836 CA ASP A 56 33.148 10.622 -2.536 1.00 0.02 C ATOM 837 C ASP A 56 32.319 11.824 -2.128 1.00 0.02 C ATOM 838 O ASP A 56 31.098 11.778 -1.983 1.00 0.02 O ATOM 839 CB ASP A 56 32.832 10.162 -3.969 1.00 0.02 C ATOM 840 CG ASP A 56 33.311 11.189 -4.978 1.00 0.01 C ATOM 841 OD1 ASP A 56 34.404 11.716 -4.796 1.00 0.01 O ATOM 842 OD2 ASP A 56 32.577 11.477 -5.928 1.00 0.02 O ATOM 0 H ASP A 56 32.247 8.842 -1.846 1.00 0.01 H new ATOM 0 HA ASP A 56 34.195 10.924 -2.521 1.00 0.02 H new ATOM 0 HB2 ASP A 56 33.312 9.203 -4.163 1.00 0.02 H new ATOM 0 HB3 ASP A 56 31.758 10.009 -4.079 1.00 0.02 H new ATOM 847 N ALA A 57 33.058 12.897 -1.855 1.00 0.00 N ATOM 848 CA ALA A 57 32.308 14.023 -1.310 1.00 0.01 C ATOM 849 C ALA A 57 31.794 14.973 -2.366 1.00 0.02 C ATOM 850 O ALA A 57 30.830 15.713 -2.149 1.00 0.00 O ATOM 851 CB ALA A 57 33.140 14.811 -0.301 1.00 0.01 C ATOM 0 H ALA A 57 34.063 13.011 -1.983 1.00 0.00 H new ATOM 0 HA ALA A 57 31.446 13.576 -0.816 1.00 0.01 H new ATOM 0 HB1 ALA A 57 32.551 15.643 0.085 1.00 0.01 H new ATOM 0 HB2 ALA A 57 33.429 14.157 0.522 1.00 0.01 H new ATOM 0 HB3 ALA A 57 34.035 15.196 -0.789 1.00 0.01 H new ATOM 857 N ASP A 58 32.505 14.934 -3.490 1.00 0.01 N ATOM 858 CA ASP A 58 32.176 15.791 -4.628 1.00 0.01 C ATOM 859 C ASP A 58 31.250 15.160 -5.659 1.00 0.02 C ATOM 860 O ASP A 58 30.641 15.857 -6.483 1.00 0.01 O ATOM 861 CB ASP A 58 33.470 16.309 -5.288 1.00 0.02 C ATOM 862 CG ASP A 58 34.374 15.169 -5.742 1.00 0.02 C ATOM 863 OD1 ASP A 58 34.031 14.021 -5.483 1.00 0.01 O ATOM 864 OD2 ASP A 58 35.406 15.434 -6.362 1.00 0.02 O ATOM 0 H ASP A 58 33.308 14.323 -3.638 1.00 0.01 H new ATOM 0 HA ASP A 58 31.605 16.624 -4.219 1.00 0.01 H new ATOM 0 HB2 ASP A 58 33.216 16.933 -6.145 1.00 0.02 H new ATOM 0 HB3 ASP A 58 34.009 16.941 -4.582 1.00 0.02 H new ATOM 869 N GLY A 59 31.114 13.822 -5.560 1.00 0.02 N ATOM 870 CA GLY A 59 30.241 13.184 -6.548 1.00 0.01 C ATOM 871 C GLY A 59 30.871 13.064 -7.937 1.00 0.02 C ATOM 872 O GLY A 59 30.174 12.844 -8.937 1.00 0.02 O ATOM 0 H GLY A 59 31.555 13.213 -4.871 1.00 0.02 H new ATOM 0 HA2 GLY A 59 29.972 12.189 -6.193 1.00 0.01 H new ATOM 0 HA3 GLY A 59 29.316 13.756 -6.626 1.00 0.01 H new ATOM 876 N ASN A 60 32.196 13.272 -7.980 1.00 0.01 N ATOM 877 CA ASN A 60 32.901 13.215 -9.259 1.00 0.02 C ATOM 878 C ASN A 60 33.155 11.808 -9.794 1.00 0.01 C ATOM 879 O ASN A 60 33.069 11.583 -11.005 1.00 0.02 O ATOM 880 CB ASN A 60 34.178 14.074 -9.235 1.00 0.01 C ATOM 881 CG ASN A 60 35.231 13.462 -8.331 1.00 0.02 C ATOM 882 OD1 ASN A 60 34.977 12.499 -7.633 1.00 0.02 O ATOM 883 ND2 ASN A 60 36.420 14.051 -8.401 1.00 0.02 N ATOM 0 H ASN A 60 32.781 13.475 -7.169 1.00 0.01 H new ATOM 0 HA ASN A 60 32.212 13.650 -9.983 1.00 0.02 H new ATOM 0 HB2 ASN A 60 34.574 14.171 -10.246 1.00 0.01 H new ATOM 0 HB3 ASN A 60 33.937 15.079 -8.889 1.00 0.01 H new ATOM 0 HD21 ASN A 60 37.198 13.697 -7.844 1.00 0.02 H new ATOM 0 HD22 ASN A 60 36.555 14.857 -9.012 1.00 0.02 H new ATOM 890 N GLY A 61 33.379 10.871 -8.867 1.00 0.01 N ATOM 891 CA GLY A 61 33.741 9.512 -9.272 1.00 0.01 C ATOM 892 C GLY A 61 35.231 9.178 -9.226 1.00 0.02 C ATOM 893 O GLY A 61 35.715 8.329 -9.990 1.00 0.02 O ATOM 0 H GLY A 61 33.318 11.022 -7.860 1.00 0.01 H new ATOM 0 HA2 GLY A 61 33.211 8.809 -8.630 1.00 0.01 H new ATOM 0 HA3 GLY A 61 33.383 9.349 -10.288 1.00 0.01 H new ATOM 897 N THR A 62 35.894 9.887 -8.301 1.00 0.02 N ATOM 898 CA THR A 62 37.322 9.731 -8.073 1.00 0.02 C ATOM 899 C THR A 62 37.623 10.130 -6.635 1.00 0.02 C ATOM 900 O THR A 62 36.870 10.843 -5.987 1.00 0.02 O ATOM 901 CB THR A 62 38.139 10.591 -9.065 1.00 0.02 C ATOM 902 OG1 THR A 62 37.477 11.822 -9.306 1.00 0.02 O ATOM 903 CG2 THR A 62 38.354 9.940 -10.433 1.00 0.02 C ATOM 0 H THR A 62 35.450 10.579 -7.697 1.00 0.02 H new ATOM 0 HA THR A 62 37.609 8.692 -8.237 1.00 0.02 H new ATOM 0 HB THR A 62 39.109 10.720 -8.585 1.00 0.02 H new ATOM 0 HG1 THR A 62 38.004 12.359 -9.934 1.00 0.02 H new ATOM 0 HG21 THR A 62 38.936 10.609 -11.067 1.00 0.02 H new ATOM 0 HG22 THR A 62 38.892 9.000 -10.308 1.00 0.02 H new ATOM 0 HG23 THR A 62 37.388 9.746 -10.900 1.00 0.02 H new ATOM 911 N ILE A 63 38.780 9.645 -6.155 1.00 0.01 N ATOM 912 CA ILE A 63 39.110 10.049 -4.780 1.00 0.02 C ATOM 913 C ILE A 63 40.471 10.707 -4.723 1.00 0.02 C ATOM 914 O ILE A 63 41.408 10.254 -5.395 1.00 0.01 O ATOM 915 CB ILE A 63 39.070 8.822 -3.843 1.00 0.02 C ATOM 916 CG1 ILE A 63 37.672 8.222 -3.746 1.00 0.02 C ATOM 917 CG2 ILE A 63 39.560 9.106 -2.415 1.00 0.00 C ATOM 918 CD1 ILE A 63 36.690 9.026 -2.894 1.00 0.02 C ATOM 0 H ILE A 63 39.441 9.036 -6.637 1.00 0.01 H new ATOM 0 HA ILE A 63 38.367 10.774 -4.448 1.00 0.02 H new ATOM 0 HB ILE A 63 39.759 8.117 -4.308 1.00 0.02 H new ATOM 0 HG12 ILE A 63 37.263 8.123 -4.752 1.00 0.02 H new ATOM 0 HG13 ILE A 63 37.751 7.216 -3.334 1.00 0.02 H new ATOM 0 HG21 ILE A 63 39.500 8.194 -1.822 1.00 0.00 H new ATOM 0 HG22 ILE A 63 40.593 9.451 -2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 63 38.935 9.875 -1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 63 35.723 8.524 -2.882 1.00 0.02 H new ATOM 0 HD12 ILE A 63 37.071 9.104 -1.876 1.00 0.02 H new ATOM 0 HD13 ILE A 63 36.575 10.025 -3.316 1.00 0.02 H new ATOM 930 N ASP A 64 40.601 11.721 -3.870 1.00 0.01 N ATOM 931 CA ASP A 64 41.920 12.297 -3.665 1.00 0.01 C ATOM 932 C ASP A 64 42.488 12.046 -2.261 1.00 0.02 C ATOM 933 O ASP A 64 41.944 11.359 -1.401 1.00 0.02 O ATOM 934 CB ASP A 64 41.861 13.791 -4.058 1.00 0.01 C ATOM 935 CG ASP A 64 41.138 14.660 -3.031 1.00 0.02 C ATOM 936 OD1 ASP A 64 40.678 14.139 -2.022 1.00 0.01 O ATOM 937 OD2 ASP A 64 41.111 15.883 -3.182 1.00 0.01 O ATOM 0 H ASP A 64 39.844 12.143 -3.333 1.00 0.01 H new ATOM 0 HA ASP A 64 42.637 11.791 -4.312 1.00 0.01 H new ATOM 0 HB2 ASP A 64 42.876 14.165 -4.189 1.00 0.01 H new ATOM 0 HB3 ASP A 64 41.359 13.886 -5.021 1.00 0.01 H new ATOM 942 N PHE A 65 43.638 12.675 -1.980 1.00 0.02 N ATOM 943 CA PHE A 65 44.094 12.583 -0.585 1.00 0.01 C ATOM 944 C PHE A 65 43.173 13.127 0.532 1.00 0.03 C ATOM 945 O PHE A 65 43.002 12.468 1.563 1.00 0.02 O ATOM 946 CB PHE A 65 45.562 13.060 -0.443 1.00 0.00 C ATOM 947 CG PHE A 65 45.959 13.270 1.008 1.00 0.02 C ATOM 948 CD1 PHE A 65 46.048 12.169 1.891 1.00 0.01 C ATOM 949 CD2 PHE A 65 46.206 14.586 1.459 1.00 0.00 C ATOM 950 CE1 PHE A 65 46.362 12.390 3.246 1.00 0.02 C ATOM 951 CE2 PHE A 65 46.524 14.809 2.813 1.00 0.02 C ATOM 952 CZ PHE A 65 46.591 13.709 3.693 1.00 0.02 C ATOM 0 H PHE A 65 44.222 13.204 -2.627 1.00 0.02 H new ATOM 0 HA PHE A 65 44.033 11.513 -0.385 1.00 0.01 H new ATOM 0 HB2 PHE A 65 46.227 12.325 -0.897 1.00 0.00 H new ATOM 0 HB3 PHE A 65 45.694 13.992 -0.993 1.00 0.00 H new ATOM 0 HD1 PHE A 65 45.876 11.166 1.529 1.00 0.01 H new ATOM 0 HD2 PHE A 65 46.151 15.416 0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 65 46.427 11.560 3.935 1.00 0.02 H new ATOM 0 HE2 PHE A 65 46.714 15.809 3.173 1.00 0.02 H new ATOM 0 HZ PHE A 65 46.823 13.880 4.734 1.00 0.02 H new ATOM 962 N PRO A 66 42.679 14.395 0.412 1.00 0.02 N ATOM 963 CA PRO A 66 41.697 14.890 1.390 1.00 0.02 C ATOM 964 C PRO A 66 40.529 13.957 1.717 1.00 0.01 C ATOM 965 O PRO A 66 40.256 13.662 2.878 1.00 0.01 O ATOM 966 CB PRO A 66 41.239 16.227 0.794 1.00 0.02 C ATOM 967 CG PRO A 66 42.357 16.698 -0.131 1.00 0.01 C ATOM 968 CD PRO A 66 43.027 15.411 -0.584 1.00 0.02 C ATOM 0 HA PRO A 66 42.159 14.977 2.373 1.00 0.02 H new ATOM 0 HB2 PRO A 66 40.306 16.106 0.244 1.00 0.02 H new ATOM 0 HB3 PRO A 66 41.053 16.958 1.581 1.00 0.02 H new ATOM 0 HG2 PRO A 66 41.964 17.262 -0.977 1.00 0.01 H new ATOM 0 HG3 PRO A 66 43.058 17.351 0.390 1.00 0.01 H new ATOM 0 HD2 PRO A 66 42.679 15.119 -1.575 1.00 0.02 H new ATOM 0 HD3 PRO A 66 44.108 15.537 -0.650 1.00 0.02 H new ATOM 976 N GLU A 67 39.874 13.491 0.643 1.00 0.02 N ATOM 977 CA GLU A 67 38.728 12.577 0.713 1.00 0.01 C ATOM 978 C GLU A 67 39.130 11.234 1.277 1.00 0.02 C ATOM 979 O GLU A 67 38.456 10.619 2.100 1.00 0.02 O ATOM 980 CB GLU A 67 38.084 12.359 -0.655 1.00 0.02 C ATOM 981 CG GLU A 67 37.471 13.602 -1.314 1.00 0.01 C ATOM 982 CD GLU A 67 36.874 13.257 -2.673 1.00 0.01 C ATOM 983 OE1 GLU A 67 37.299 12.275 -3.283 1.00 0.02 O ATOM 984 OE2 GLU A 67 35.972 13.975 -3.105 1.00 0.00 O ATOM 0 H GLU A 67 40.131 13.743 -0.311 1.00 0.02 H new ATOM 0 HA GLU A 67 38.003 13.051 1.374 1.00 0.01 H new ATOM 0 HB2 GLU A 67 38.837 11.949 -1.328 1.00 0.02 H new ATOM 0 HB3 GLU A 67 37.304 11.605 -0.552 1.00 0.02 H new ATOM 0 HG2 GLU A 67 36.698 14.018 -0.668 1.00 0.01 H new ATOM 0 HG3 GLU A 67 38.235 14.370 -1.432 1.00 0.01 H new ATOM 991 N PHE A 68 40.351 10.840 0.895 1.00 0.01 N ATOM 992 CA PHE A 68 40.893 9.641 1.529 1.00 0.02 C ATOM 993 C PHE A 68 41.056 9.807 3.031 1.00 0.02 C ATOM 994 O PHE A 68 40.780 8.932 3.844 1.00 0.02 O ATOM 995 CB PHE A 68 42.231 9.247 0.887 1.00 0.01 C ATOM 996 CG PHE A 68 42.878 8.073 1.589 1.00 0.02 C ATOM 997 CD1 PHE A 68 42.339 6.778 1.428 1.00 0.02 C ATOM 998 CD2 PHE A 68 44.014 8.300 2.397 1.00 0.02 C ATOM 999 CE1 PHE A 68 42.953 5.690 2.077 1.00 0.02 C ATOM 1000 CE2 PHE A 68 44.633 7.213 3.042 1.00 0.02 C ATOM 1001 CZ PHE A 68 44.100 5.918 2.867 1.00 0.00 C ATOM 0 H PHE A 68 40.943 11.297 0.201 1.00 0.01 H new ATOM 0 HA PHE A 68 40.171 8.841 1.367 1.00 0.02 H new ATOM 0 HB2 PHE A 68 42.069 8.997 -0.162 1.00 0.01 H new ATOM 0 HB3 PHE A 68 42.909 10.101 0.910 1.00 0.01 H new ATOM 0 HD1 PHE A 68 41.465 6.624 0.813 1.00 0.02 H new ATOM 0 HD2 PHE A 68 44.404 9.300 2.519 1.00 0.02 H new ATOM 0 HE1 PHE A 68 42.551 4.693 1.972 1.00 0.02 H new ATOM 0 HE2 PHE A 68 45.504 7.368 3.662 1.00 0.02 H new ATOM 0 HZ PHE A 68 44.582 5.081 3.350 1.00 0.00 H new ATOM 1011 N LEU A 69 41.598 10.964 3.426 1.00 0.02 N ATOM 1012 CA LEU A 69 41.819 11.190 4.863 1.00 0.02 C ATOM 1013 C LEU A 69 40.528 11.245 5.660 1.00 0.02 C ATOM 1014 O LEU A 69 40.410 10.703 6.757 1.00 0.02 O ATOM 1015 CB LEU A 69 42.678 12.439 5.110 1.00 0.02 C ATOM 1016 CG LEU A 69 43.043 12.709 6.582 1.00 0.01 C ATOM 1017 CD1 LEU A 69 44.458 13.265 6.713 1.00 0.02 C ATOM 1018 CD2 LEU A 69 42.035 13.603 7.318 1.00 0.02 C ATOM 0 H LEU A 69 41.880 11.725 2.809 1.00 0.02 H new ATOM 0 HA LEU A 69 42.369 10.322 5.226 1.00 0.02 H new ATOM 0 HB2 LEU A 69 43.600 12.345 4.536 1.00 0.02 H new ATOM 0 HB3 LEU A 69 42.147 13.307 4.720 1.00 0.02 H new ATOM 0 HG LEU A 69 43.000 11.737 7.074 1.00 0.01 H new ATOM 0 HD11 LEU A 69 44.683 13.444 7.764 1.00 0.02 H new ATOM 0 HD12 LEU A 69 45.170 12.547 6.307 1.00 0.02 H new ATOM 0 HD13 LEU A 69 44.533 14.202 6.161 1.00 0.02 H new ATOM 0 HD21 LEU A 69 42.361 13.747 8.348 1.00 0.02 H new ATOM 0 HD22 LEU A 69 41.973 14.570 6.818 1.00 0.02 H new ATOM 0 HD23 LEU A 69 41.054 13.128 7.311 1.00 0.02 H new ATOM 1030 N THR A 70 39.543 11.905 5.060 1.00 0.02 N ATOM 1031 CA THR A 70 38.222 11.915 5.695 1.00 0.01 C ATOM 1032 C THR A 70 37.623 10.519 5.833 1.00 0.02 C ATOM 1033 O THR A 70 37.038 10.124 6.845 1.00 0.02 O ATOM 1034 CB THR A 70 37.288 12.846 4.923 1.00 0.13 C ATOM 1035 OG1 THR A 70 37.287 12.490 3.547 1.00 0.18 O ATOM 1036 CG2 THR A 70 37.732 14.307 5.030 1.00 0.11 C ATOM 0 H THR A 70 39.620 12.416 4.181 1.00 0.02 H new ATOM 0 HA THR A 70 38.345 12.290 6.711 1.00 0.01 H new ATOM 0 HB THR A 70 36.294 12.741 5.357 1.00 0.13 H new ATOM 0 HG1 THR A 70 37.893 11.733 3.405 1.00 0.18 H new ATOM 0 HG21 THR A 70 37.044 14.939 4.468 1.00 0.11 H new ATOM 0 HG22 THR A 70 37.732 14.612 6.077 1.00 0.11 H new ATOM 0 HG23 THR A 70 38.737 14.413 4.621 1.00 0.11 H new ATOM 1044 N MET A 71 37.867 9.737 4.772 1.00 0.02 N ATOM 1045 CA MET A 71 37.497 8.322 4.832 1.00 0.02 C ATOM 1046 C MET A 71 38.212 7.588 5.960 1.00 0.02 C ATOM 1047 O MET A 71 37.653 6.828 6.747 1.00 0.02 O ATOM 1048 CB MET A 71 37.759 7.694 3.464 1.00 0.28 C ATOM 1049 CG MET A 71 37.601 6.176 3.356 1.00 0.67 C ATOM 1050 SD MET A 71 38.945 5.240 4.100 1.00 1.89 S ATOM 1051 CE MET A 71 38.819 3.819 3.011 1.00 2.60 C ATOM 0 H MET A 71 38.299 10.044 3.901 1.00 0.02 H new ATOM 0 HA MET A 71 36.436 8.234 5.065 1.00 0.02 H new ATOM 0 HB2 MET A 71 37.085 8.157 2.744 1.00 0.28 H new ATOM 0 HB3 MET A 71 38.774 7.952 3.162 1.00 0.28 H new ATOM 0 HG2 MET A 71 36.664 5.885 3.831 1.00 0.67 H new ATOM 0 HG3 MET A 71 37.523 5.904 2.303 1.00 0.67 H new ATOM 0 HE1 MET A 71 39.649 3.139 3.203 1.00 2.60 H new ATOM 0 HE2 MET A 71 37.877 3.303 3.194 1.00 2.60 H new ATOM 0 HE3 MET A 71 38.855 4.151 1.974 1.00 2.60 H new ATOM 1061 N MET A 72 39.507 7.910 6.076 1.00 0.00 N ATOM 1062 CA MET A 72 40.315 7.356 7.164 1.00 0.02 C ATOM 1063 C MET A 72 39.807 7.644 8.556 1.00 0.02 C ATOM 1064 O MET A 72 39.985 6.840 9.460 1.00 0.02 O ATOM 1065 CB MET A 72 41.767 7.809 7.083 1.00 0.02 C ATOM 1066 CG MET A 72 42.499 7.378 5.820 1.00 0.02 C ATOM 1067 SD MET A 72 43.480 5.877 5.970 1.00 0.02 S ATOM 1068 CE MET A 72 42.192 4.637 6.134 1.00 0.02 C ATOM 0 H MET A 72 40.006 8.537 5.445 1.00 0.00 H new ATOM 0 HA MET A 72 40.234 6.280 7.008 1.00 0.02 H new ATOM 0 HB2 MET A 72 41.798 8.896 7.151 1.00 0.02 H new ATOM 0 HB3 MET A 72 42.304 7.420 7.948 1.00 0.02 H new ATOM 0 HG2 MET A 72 41.766 7.235 5.027 1.00 0.02 H new ATOM 0 HG3 MET A 72 43.154 8.190 5.505 1.00 0.02 H new ATOM 0 HE1 MET A 72 42.605 3.652 5.917 1.00 0.02 H new ATOM 0 HE2 MET A 72 41.801 4.651 7.151 1.00 0.02 H new ATOM 0 HE3 MET A 72 41.386 4.854 5.433 1.00 0.02 H new ATOM 1078 N ALA A 73 39.144 8.802 8.681 1.00 0.01 N ATOM 1079 CA ALA A 73 38.467 9.058 9.950 1.00 0.02 C ATOM 1080 C ALA A 73 37.398 8.027 10.277 1.00 0.01 C ATOM 1081 O ALA A 73 37.211 7.612 11.412 1.00 0.02 O ATOM 1082 CB ALA A 73 37.839 10.452 9.947 1.00 0.01 C ATOM 0 H ALA A 73 39.065 9.529 7.970 1.00 0.01 H new ATOM 0 HA ALA A 73 39.233 8.989 10.722 1.00 0.02 H new ATOM 0 HB1 ALA A 73 37.338 10.628 10.899 1.00 0.01 H new ATOM 0 HB2 ALA A 73 38.617 11.201 9.803 1.00 0.01 H new ATOM 0 HB3 ALA A 73 37.113 10.522 9.137 1.00 0.01 H new ATOM 1088 N ARG A 74 36.713 7.613 9.200 1.00 0.02 N ATOM 1089 CA ARG A 74 35.737 6.530 9.329 1.00 0.01 C ATOM 1090 C ARG A 74 36.311 5.160 9.634 1.00 0.00 C ATOM 1091 O ARG A 74 35.622 4.293 10.149 1.00 0.02 O ATOM 1092 CB ARG A 74 34.905 6.450 8.060 1.00 0.02 C ATOM 1093 CG ARG A 74 34.036 7.686 7.860 1.00 0.00 C ATOM 1094 CD ARG A 74 32.801 7.604 8.761 1.00 0.01 C ATOM 1095 NE ARG A 74 31.570 7.751 7.979 1.00 0.00 N ATOM 1096 CZ ARG A 74 31.137 6.799 7.104 1.00 0.01 C ATOM 1097 NH1 ARG A 74 31.759 5.625 6.983 1.00 0.02 N ATOM 1098 NH2 ARG A 74 30.075 7.039 6.344 1.00 0.01 N ATOM 0 H ARG A 74 36.813 7.999 8.261 1.00 0.02 H new ATOM 0 HA ARG A 74 35.136 6.791 10.200 1.00 0.01 H new ATOM 0 HB2 ARG A 74 35.566 6.330 7.202 1.00 0.02 H new ATOM 0 HB3 ARG A 74 34.270 5.565 8.099 1.00 0.02 H new ATOM 0 HG2 ARG A 74 34.607 8.585 8.092 1.00 0.00 H new ATOM 0 HG3 ARG A 74 33.731 7.762 6.816 1.00 0.00 H new ATOM 0 HD2 ARG A 74 32.791 6.648 9.285 1.00 0.01 H new ATOM 0 HD3 ARG A 74 32.849 8.384 9.521 1.00 0.01 H new ATOM 0 HE ARG A 74 31.015 8.599 8.094 1.00 0.00 H new ATOM 0 HH11 ARG A 74 32.580 5.422 7.553 1.00 0.02 H new ATOM 0 HH12 ARG A 74 31.414 4.931 6.320 1.00 0.02 H new ATOM 0 HH21 ARG A 74 29.587 7.932 6.416 1.00 0.01 H new ATOM 0 HH22 ARG A 74 29.747 6.330 5.688 1.00 0.01 H new ATOM 1112 N LYS A 75 37.597 4.998 9.294 1.00 0.00 N ATOM 1113 CA LYS A 75 38.280 3.750 9.650 1.00 0.01 C ATOM 1114 C LYS A 75 38.401 3.555 11.154 1.00 0.02 C ATOM 1115 O LYS A 75 39.356 4.025 11.775 1.00 0.02 O ATOM 1116 CB LYS A 75 39.663 3.721 8.978 1.00 0.01 C ATOM 1117 CG LYS A 75 40.496 2.430 9.068 1.00 0.01 C ATOM 1118 CD LYS A 75 41.787 2.553 9.898 1.00 0.00 C ATOM 1119 CE LYS A 75 41.612 2.159 11.367 1.00 0.02 C ATOM 1120 NZ LYS A 75 42.812 2.479 12.147 1.00 0.02 N ATOM 0 H LYS A 75 38.164 5.683 8.795 1.00 0.00 H new ATOM 0 HA LYS A 75 37.675 2.920 9.286 1.00 0.01 H new ATOM 0 HB2 LYS A 75 39.523 3.953 7.922 1.00 0.01 H new ATOM 0 HB3 LYS A 75 40.256 4.529 9.406 1.00 0.01 H new ATOM 0 HG2 LYS A 75 39.877 1.644 9.499 1.00 0.01 H new ATOM 0 HG3 LYS A 75 40.758 2.112 8.059 1.00 0.01 H new ATOM 0 HD2 LYS A 75 42.557 1.924 9.451 1.00 0.00 H new ATOM 0 HD3 LYS A 75 42.145 3.581 9.847 1.00 0.00 H new ATOM 0 HE2 LYS A 75 40.752 2.681 11.787 1.00 0.02 H new ATOM 0 HE3 LYS A 75 41.403 1.092 11.438 1.00 0.02 H new ATOM 0 HZ1 LYS A 75 42.666 2.202 13.139 1.00 0.02 H new ATOM 0 HZ2 LYS A 75 43.626 1.961 11.759 1.00 0.02 H new ATOM 0 HZ3 LYS A 75 42.996 3.501 12.097 1.00 0.02 H new ATOM 1134 N MET A 76 37.432 2.826 11.717 1.00 0.02 N ATOM 1135 CA MET A 76 37.303 2.557 13.151 1.00 0.02 C ATOM 1136 C MET A 76 36.083 1.679 13.431 1.00 0.02 C ATOM 1137 O MET A 76 35.348 1.372 12.491 1.00 20.00 O ATOM 1138 CB MET A 76 37.249 3.860 13.976 1.00 0.02 C ATOM 1139 CG MET A 76 36.252 4.914 13.474 1.00 0.02 C ATOM 1140 SD MET A 76 34.528 4.422 13.623 1.00 0.02 S ATOM 1141 CE MET A 76 33.823 5.624 12.490 1.00 0.02 C ATOM 1142 OXT MET A 76 35.863 1.298 14.583 1.00 20.00 O ATOM 0 H MET A 76 36.691 2.392 11.167 1.00 0.02 H new ATOM 0 HA MET A 76 38.195 2.014 13.464 1.00 0.02 H new ATOM 0 HB2 MET A 76 36.998 3.608 15.006 1.00 0.02 H new ATOM 0 HB3 MET A 76 38.245 4.303 13.990 1.00 0.02 H new ATOM 0 HG2 MET A 76 36.405 5.838 14.032 1.00 0.02 H new ATOM 0 HG3 MET A 76 36.467 5.134 12.428 1.00 0.02 H new ATOM 0 HE1 MET A 76 32.867 5.974 12.879 1.00 0.02 H new ATOM 0 HE2 MET A 76 34.504 6.469 12.386 1.00 0.02 H new ATOM 0 HE3 MET A 76 33.670 5.160 11.516 1.00 0.02 H new TER 1152 MET A 76 HETATM 1153 CA CA A 990 45.263 7.004 -10.755 1.00 1.00 CA HETATM 1154 CA CA A 991 36.433 13.209 -5.526 1.00 1.00 CA HETATM 1155 F1 HLT A 149 40.760 0.447 5.091 1.00 0.00 F HETATM 1156 C2 HLT A 149 39.575 0.948 5.562 1.00 64.50 C HETATM 1157 F2 HLT A 149 39.300 0.397 6.787 1.00 0.00 F HETATM 1158 F3 HLT A 149 39.673 2.310 5.685 1.00 0.00 F HETATM 1159 C1 HLT A 149 38.452 0.602 4.585 1.00 63.73 C HETATM 1160 BR HLT A 149 38.825 1.261 2.969 1.00 0.00 BR HETATM 1161 CL HLT A 149 38.255 -1.168 4.488 1.00 0.00 CL