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 60 ASN : amide:sc= -3.75 K(o=-5,f=-11!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.327 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.31 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= -0.307 X(o=-0.31,f=-0.049) 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 -5:sc= 0.326 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.404 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.462 USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= -2.58 (180deg=-2.96!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 173:sc= -15.5! (180deg=-15.9!) USER MOD Single : A 38 SER OG : rot -28:sc= 1.09 USER MOD Single : A 41 GLN :FLIP amide:sc= -0.265 F(o=-0.84,f=-0.26) USER MOD Single : A 42 ASN : amide:sc= -0.184 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= -0.0181 (180deg=-0.321) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 70 THR OG1 : rot -1:sc= 0.309 USER MOD Single : A 71 MET CE :methyl 156:sc= -14.3! (180deg=-16!) USER MOD Single : A 72 MET CE :methyl 162:sc= -0.55 (180deg=-1.17) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -142:sc= -0.0228 (180deg=-1.61) 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 14.612 17.148 1.00 0.57 C ATOM 3 C ALA A 1 45.777 14.319 16.923 1.00 0.53 C ATOM 4 O ALA A 1 45.125 13.909 17.883 1.00 0.84 O ATOM 5 CB ALA A 1 48.097 13.564 16.501 1.00 1.25 C ATOM 0 H1 ALA A 1 47.675 15.415 18.983 1.00 0.95 H new ATOM 0 H2 ALA A 1 46.610 14.094 19.034 1.00 0.95 H new ATOM 0 H3 ALA A 1 48.264 13.840 18.744 1.00 0.95 H new ATOM 0 HA ALA A 1 47.466 15.596 16.743 1.00 0.57 H new ATOM 0 HB1 ALA A 1 47.972 13.606 15.419 1.00 1.25 H new ATOM 0 HB2 ALA A 1 49.141 13.749 16.753 1.00 1.25 H new ATOM 0 HB3 ALA A 1 47.806 12.577 16.862 1.00 1.25 H new ATOM 13 N ASP A 2 45.344 14.582 15.684 1.00 0.01 N ATOM 14 CA ASP A 2 43.936 14.453 15.347 1.00 0.02 C ATOM 15 C ASP A 2 43.587 13.028 15.038 1.00 0.00 C ATOM 16 O ASP A 2 42.880 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 16.794 14.555 1.00 2.29 C ATOM 19 OD1 ASP A 2 42.922 17.211 15.436 1.00 2.99 O ATOM 20 OD2 ASP A 2 44.489 17.510 13.991 1.00 2.17 O ATOM 0 H ASP A 2 45.944 14.880 14.915 1.00 0.01 H new ATOM 0 HA ASP A 2 43.364 14.778 16.216 1.00 0.02 H new ATOM 0 HB2 ASP A 2 44.235 15.138 13.318 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 12.582 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 45.047 10.384 14.388 1.00 0.03 C ATOM 28 O GLN A 3 44.693 9.625 15.278 1.00 0.01 O ATOM 29 CB GLN A 3 44.233 10.888 12.073 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 43.234 11.017 9.796 1.00 0.02 C ATOM 32 OE1 GLN A 3 44.243 11.130 9.128 1.00 0.02 O ATOM 33 NE2 GLN A 3 42.109 10.496 9.304 1.00 0.01 N ATOM 0 H GLN A 3 44.608 13.161 13.193 1.00 0.01 H new ATOM 0 HA GLN A 3 43.039 10.825 13.827 1.00 0.02 H new ATOM 0 HB2 GLN A 3 45.194 11.290 11.752 1.00 0.03 H new ATOM 0 HB3 GLN A 3 44.265 9.812 11.903 1.00 0.03 H new ATOM 0 HG2 GLN A 3 42.147 11.228 11.635 1.00 0.02 H new ATOM 0 HG3 GLN A 3 43.185 12.589 11.257 1.00 0.02 H new ATOM 0 HE21 GLN A 3 41.282 10.417 9.896 1.00 0.01 H new ATOM 0 HE22 GLN A 3 42.076 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 47.385 9.967 14.819 1.00 0.01 C ATOM 44 C LEU A 4 48.598 10.847 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 47.316 7.377 15.076 1.00 0.02 C ATOM 48 CD1 LEU A 4 47.574 7.619 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 47.101 9.794 15.857 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 48.003 6.583 14.784 1.00 0.02 H new ATOM 0 HD11 LEU A 4 47.307 6.726 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 46.970 8.459 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 14.978 1.00 0.02 H new ATOM 0 HD23 LEU A 4 45.859 6.527 13.737 1.00 0.02 H new ATOM 61 N THR A 5 49.692 10.412 15.358 1.00 0.03 N ATOM 62 CA THR A 5 50.932 11.187 15.326 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 10.763 12.985 1.00 0.00 O ATOM 65 CB THR A 5 51.994 10.338 16.035 1.00 0.01 C ATOM 66 OG1 THR A 5 52.018 9.048 15.420 1.00 0.00 O ATOM 67 CG2 THR A 5 51.631 10.133 17.511 1.00 0.02 C ATOM 0 H THR A 5 49.740 9.546 15.896 1.00 0.03 H new ATOM 0 HA THR A 5 50.824 12.147 15.831 1.00 0.00 H new ATOM 0 HB THR A 5 52.955 10.846 15.962 1.00 0.01 H new ATOM 0 HG1 THR A 5 52.693 8.489 15.858 1.00 0.00 H new ATOM 0 HG21 THR A 5 52.398 9.528 17.994 1.00 0.02 H new ATOM 0 HG22 THR A 5 51.566 11.101 18.008 1.00 0.02 H new ATOM 0 HG23 THR A 5 50.670 9.624 17.582 1.00 0.02 H new ATOM 75 N GLU A 6 52.068 12.603 13.715 1.00 0.02 N ATOM 76 CA GLU A 6 52.546 12.975 12.382 1.00 0.03 C ATOM 77 C GLU A 6 53.129 11.827 11.571 1.00 0.02 C ATOM 78 O GLU A 6 53.012 11.779 10.355 1.00 0.00 O ATOM 79 CB GLU A 6 53.566 14.107 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 15.473 11.146 1.00 0.01 C ATOM 82 OE1 GLU A 6 55.165 16.647 11.500 1.00 0.01 O ATOM 83 OE2 GLU A 6 56.202 14.892 10.814 1.00 0.01 O ATOM 0 H GLU A 6 52.350 13.234 14.465 1.00 0.02 H new ATOM 0 HA GLU A 6 51.655 13.303 11.846 1.00 0.03 H new ATOM 0 HB2 GLU A 6 53.191 14.880 13.142 1.00 0.02 H new ATOM 0 HB3 GLU A 6 54.491 13.728 12.906 1.00 0.02 H new ATOM 0 HG2 GLU A 6 53.909 13.939 10.343 1.00 0.03 H new ATOM 0 HG3 GLU A 6 53.057 15.397 10.812 1.00 0.03 H new ATOM 90 N GLU A 7 53.671 10.860 12.317 1.00 0.00 N ATOM 91 CA GLU A 7 54.188 9.640 11.713 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 8.740 12.835 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 55.482 10.403 14.682 1.00 0.02 C ATOM 97 OE1 GLU A 7 55.388 11.571 14.312 1.00 0.02 O ATOM 98 OE2 GLU A 7 55.259 10.085 15.852 1.00 0.02 O ATOM 0 H GLU A 7 53.760 10.902 13.332 1.00 0.00 H new ATOM 0 HA GLU A 7 55.015 9.833 11.030 1.00 0.03 H new ATOM 0 HB2 GLU A 7 53.917 8.496 13.511 1.00 0.02 H new ATOM 0 HB3 GLU A 7 55.072 7.803 12.390 1.00 0.02 H new ATOM 0 HG2 GLU A 7 56.389 8.512 14.213 1.00 0.02 H new ATOM 0 HG3 GLU A 7 56.644 9.748 12.997 1.00 0.02 H new ATOM 105 N GLN A 8 52.034 8.590 11.598 1.00 0.02 N ATOM 106 CA GLN A 8 50.941 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 50.107 8.270 8.632 1.00 0.02 O ATOM 109 CB GLN A 8 49.826 7.533 11.788 1.00 0.02 C ATOM 110 CG GLN A 8 48.918 6.504 11.121 1.00 0.02 C ATOM 111 CD GLN A 8 49.127 5.166 11.788 1.00 0.02 C ATOM 112 OE1 GLN A 8 48.160 4.508 12.161 1.00 0.01 O ATOM 113 NE2 GLN A 8 50.394 4.815 12.006 1.00 0.02 N ATOM 0 H GLN A 8 51.916 8.677 12.607 1.00 0.02 H new ATOM 0 HA GLN A 8 51.429 7.097 10.396 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 49.241 8.406 12.078 1.00 0.02 H new ATOM 0 HG2 GLN A 8 47.875 6.809 11.206 1.00 0.02 H new ATOM 0 HG3 GLN A 8 49.144 6.435 10.057 1.00 0.02 H new ATOM 0 HE21 GLN A 8 51.153 5.408 11.669 1.00 0.02 H new ATOM 0 HE22 GLN A 8 50.605 3.954 12.510 1.00 0.02 H new ATOM 122 N ILE A 9 50.065 10.030 10.057 1.00 0.02 N ATOM 123 CA ILE A 9 49.574 10.943 9.015 1.00 0.02 C ATOM 124 C ILE A 9 50.439 10.929 7.750 1.00 0.02 C ATOM 125 O ILE A 9 49.954 10.758 6.632 1.00 0.01 O ATOM 126 CB ILE A 9 49.405 12.361 9.594 1.00 0.03 C ATOM 127 CG1 ILE A 9 48.420 12.338 10.771 1.00 0.03 C ATOM 128 CG2 ILE A 9 48.911 13.333 8.514 1.00 0.02 C ATOM 129 CD1 ILE A 9 48.077 13.730 11.313 1.00 0.01 C ATOM 0 H ILE A 9 50.170 10.436 10.987 1.00 0.02 H new ATOM 0 HA ILE A 9 48.596 10.584 8.694 1.00 0.02 H new ATOM 0 HB ILE A 9 50.376 12.704 9.950 1.00 0.03 H new ATOM 0 HG12 ILE A 9 47.501 11.844 10.455 1.00 0.03 H new ATOM 0 HG13 ILE A 9 48.844 11.738 11.576 1.00 0.03 H new ATOM 0 HG21 ILE A 9 48.798 14.328 8.944 1.00 0.02 H new ATOM 0 HG22 ILE A 9 49.634 13.370 7.699 1.00 0.02 H new ATOM 0 HG23 ILE A 9 47.949 12.993 8.131 1.00 0.02 H new ATOM 0 HD11 ILE A 9 47.376 13.635 12.143 1.00 0.01 H new ATOM 0 HD12 ILE A 9 48.987 14.219 11.661 1.00 0.01 H new ATOM 0 HD13 ILE A 9 47.623 14.327 10.522 1.00 0.01 H new ATOM 141 N ALA A 10 51.749 11.056 7.992 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 52.615 9.676 6.122 1.00 0.00 C ATOM 144 O ALA A 10 52.468 9.696 4.903 1.00 0.02 O ATOM 145 CB ALA A 10 54.148 11.142 7.428 1.00 0.02 C ATOM 0 H ALA A 10 52.152 11.215 8.915 1.00 0.00 H new ATOM 0 HA ALA A 10 52.485 11.788 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 54.246 12.116 7.907 1.00 0.02 H new ATOM 0 HB3 ALA A 10 54.366 10.358 8.153 1.00 0.02 H new ATOM 151 N GLU A 11 52.588 8.567 6.873 1.00 0.03 N ATOM 152 CA GLU A 11 52.373 7.256 6.255 1.00 0.00 C ATOM 153 C GLU A 11 51.073 7.125 5.472 1.00 0.02 C ATOM 154 O GLU A 11 50.965 6.415 4.470 1.00 0.02 O ATOM 155 CB GLU A 11 52.461 6.141 7.295 1.00 0.02 C ATOM 156 CG GLU A 11 53.852 5.959 7.916 1.00 0.02 C ATOM 157 CD GLU A 11 53.778 6.066 9.435 1.00 0.03 C ATOM 158 OE1 GLU A 11 52.784 5.646 10.035 1.00 0.02 O ATOM 159 OE2 GLU A 11 54.711 6.594 10.031 1.00 0.03 O ATOM 0 H GLU A 11 52.709 8.551 7.886 1.00 0.03 H new ATOM 0 HA GLU A 11 53.177 7.159 5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 11 51.746 6.347 8.091 1.00 0.02 H new ATOM 0 HB3 GLU A 11 52.159 5.203 6.830 1.00 0.02 H new ATOM 0 HG2 GLU A 11 54.258 4.988 7.634 1.00 0.02 H new ATOM 0 HG3 GLU A 11 54.533 6.715 7.525 1.00 0.02 H new ATOM 166 N PHE A 12 50.051 7.875 5.912 1.00 0.00 N ATOM 167 CA PHE A 12 48.867 7.952 5.050 1.00 0.02 C ATOM 168 C PHE A 12 49.177 8.556 3.694 1.00 0.02 C ATOM 169 O PHE A 12 48.747 8.049 2.669 1.00 0.02 O ATOM 170 CB PHE A 12 47.694 8.675 5.726 1.00 0.01 C ATOM 171 CG PHE A 12 47.025 7.824 6.786 1.00 0.02 C ATOM 172 CD1 PHE A 12 46.761 6.455 6.546 1.00 0.02 C ATOM 173 CD2 PHE A 12 46.645 8.430 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 8.982 1.00 0.02 C ATOM 176 CZ PHE A 12 45.699 6.309 8.729 1.00 0.02 C ATOM 0 H PHE A 12 50.016 8.397 6.787 1.00 0.00 H new ATOM 0 HA PHE A 12 48.555 6.921 4.881 1.00 0.02 H new ATOM 0 HB2 PHE A 12 48.053 9.599 6.179 1.00 0.01 H new ATOM 0 HB3 PHE A 12 46.959 8.954 4.971 1.00 0.01 H new ATOM 0 HD1 PHE A 12 47.064 5.999 5.615 1.00 0.02 H new ATOM 0 HD2 PHE A 12 46.868 9.471 8.186 1.00 0.02 H new ATOM 0 HE1 PHE A 12 45.905 4.642 7.361 1.00 0.01 H new ATOM 0 HE2 PHE A 12 45.675 8.123 9.915 1.00 0.02 H new ATOM 0 HZ PHE A 12 45.169 5.730 9.471 1.00 0.02 H new ATOM 186 N LYS A 13 49.993 9.613 3.741 1.00 0.02 N ATOM 187 CA LYS A 13 50.497 10.134 2.472 1.00 0.02 C ATOM 188 C LYS A 13 51.348 9.135 1.697 1.00 0.02 C ATOM 189 O LYS A 13 51.290 9.061 0.479 1.00 0.02 O ATOM 190 CB LYS A 13 51.210 11.479 2.696 1.00 0.02 C ATOM 191 CG LYS A 13 51.602 12.249 1.426 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 54.134 12.550 1.655 1.00 0.02 C ATOM 194 NZ LYS A 13 55.420 12.215 1.032 1.00 0.00 N ATOM 0 H LYS A 13 50.302 10.097 4.584 1.00 0.02 H new ATOM 0 HA LYS A 13 49.635 10.310 1.828 1.00 0.02 H new ATOM 0 HB2 LYS A 13 50.562 12.116 3.299 1.00 0.02 H new ATOM 0 HB3 LYS A 13 52.112 11.297 3.281 1.00 0.02 H new ATOM 0 HG2 LYS A 13 50.855 12.047 0.658 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 53.039 12.298 -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 54.109 12.180 2.680 1.00 0.02 H new ATOM 0 HZ1 LYS A 13 56.194 12.636 1.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 55.535 11.182 1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 55.444 12.589 0.062 1.00 0.00 H new ATOM 208 N GLU A 14 52.143 8.334 2.423 1.00 0.00 N ATOM 209 CA GLU A 14 52.844 7.273 1.699 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 52.071 5.963 -0.167 1.00 0.00 O ATOM 212 CB GLU A 14 53.825 6.535 2.604 1.00 0.03 C ATOM 213 CG GLU A 14 54.873 7.466 3.217 1.00 0.03 C ATOM 214 CD GLU A 14 56.003 6.635 3.786 1.00 0.03 C ATOM 215 OE1 GLU A 14 56.652 5.927 3.015 1.00 0.00 O ATOM 216 OE2 GLU A 14 56.244 6.717 4.988 1.00 0.03 O ATOM 0 H GLU A 14 52.307 8.391 3.428 1.00 0.00 H new ATOM 0 HA GLU A 14 53.406 7.776 0.912 1.00 0.02 H new ATOM 0 HB2 GLU A 14 53.274 6.038 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 2.461 1.00 0.03 H new ATOM 0 HG3 GLU A 14 54.422 8.075 4.001 1.00 0.03 H new ATOM 223 N ALA A 15 50.858 5.915 1.737 1.00 0.02 N ATOM 224 CA ALA A 15 49.846 5.043 1.132 1.00 0.03 C ATOM 225 C ALA A 15 49.221 5.631 -0.127 1.00 0.02 C ATOM 226 O ALA A 15 48.948 4.958 -1.110 1.00 0.03 O ATOM 227 CB ALA A 15 48.749 4.731 2.148 1.00 0.02 C ATOM 0 H ALA A 15 50.689 6.183 2.706 1.00 0.02 H new ATOM 0 HA ALA A 15 50.362 4.129 0.836 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 4.228 3.011 1.00 0.02 H new ATOM 0 HB3 ALA A 15 48.276 5.659 2.469 1.00 0.02 H new ATOM 233 N PHE A 16 49.087 6.967 -0.065 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 49.490 7.464 -2.472 1.00 0.02 C ATOM 236 O PHE A 16 49.001 7.170 -3.550 1.00 0.02 O ATOM 237 CB PHE A 16 48.454 9.181 -0.926 1.00 0.00 C ATOM 238 CG PHE A 16 47.696 9.899 -2.017 1.00 0.02 C ATOM 239 CD1 PHE A 16 46.306 9.692 -2.143 1.00 0.02 C ATOM 240 CD2 PHE A 16 48.388 10.769 -2.891 1.00 0.02 C ATOM 241 CE1 PHE A 16 45.597 10.366 -3.154 1.00 0.02 C ATOM 242 CE2 PHE A 16 47.676 11.444 -3.901 1.00 0.00 C ATOM 243 CZ PHE A 16 46.286 11.239 -4.022 1.00 0.00 C ATOM 0 H PHE A 16 49.287 7.542 0.754 1.00 0.00 H new ATOM 0 HA PHE A 16 47.645 7.279 -1.508 1.00 0.02 H new ATOM 0 HB2 PHE A 16 47.926 9.295 0.021 1.00 0.00 H new ATOM 0 HB3 PHE A 16 49.435 9.639 -0.801 1.00 0.00 H new ATOM 0 HD1 PHE A 16 45.791 9.023 -1.470 1.00 0.02 H new ATOM 0 HD2 PHE A 16 49.453 10.914 -2.785 1.00 0.02 H new ATOM 0 HE1 PHE A 16 44.533 10.216 -3.265 1.00 0.02 H new ATOM 0 HE2 PHE A 16 48.189 12.112 -4.576 1.00 0.00 H new ATOM 0 HZ PHE A 16 45.739 11.760 -4.794 1.00 0.00 H new ATOM 253 N SER A 17 50.815 7.526 -2.242 1.00 0.00 N ATOM 254 CA SER A 17 51.774 7.231 -3.314 1.00 0.00 C ATOM 255 C SER A 17 51.578 5.849 -3.937 1.00 0.00 C ATOM 256 O SER A 17 51.739 5.631 -5.128 1.00 0.02 O ATOM 257 CB SER A 17 53.203 7.416 -2.755 1.00 0.09 C ATOM 258 OG SER A 17 54.224 7.427 -3.769 1.00 0.17 O ATOM 0 H SER A 17 51.235 7.772 -1.345 1.00 0.00 H new ATOM 0 HA SER A 17 51.603 7.929 -4.133 1.00 0.00 H new ATOM 0 HB2 SER A 17 53.247 8.352 -2.197 1.00 0.09 H new ATOM 0 HB3 SER A 17 53.414 6.613 -2.048 1.00 0.09 H new ATOM 0 HG SER A 17 55.101 7.549 -3.349 1.00 0.17 H new ATOM 264 N LEU A 18 51.227 4.904 -3.057 1.00 0.02 N ATOM 265 CA LEU A 18 50.967 3.543 -3.540 1.00 0.02 C ATOM 266 C LEU A 18 49.648 3.417 -4.287 1.00 0.02 C ATOM 267 O LEU A 18 49.434 2.518 -5.095 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 2.153 -1.809 1.00 0.02 C ATOM 270 CD1 LEU A 18 52.992 3.213 -0.903 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 51.120 5.044 -2.052 1.00 0.02 H new ATOM 0 HA LEU A 18 51.770 3.324 -4.244 1.00 0.02 H new ATOM 0 HB2 LEU A 18 50.384 2.921 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 18 50.516 1.612 -2.734 1.00 0.00 H new ATOM 0 HG LEU A 18 53.025 2.071 -2.677 1.00 0.02 H new ATOM 0 HD11 LEU A 18 53.959 2.862 -0.542 1.00 0.02 H new ATOM 0 HD12 LEU A 18 53.128 4.137 -1.465 1.00 0.02 H new ATOM 0 HD13 LEU A 18 52.333 3.398 -0.055 1.00 0.02 H new ATOM 0 HD21 LEU A 18 53.285 0.579 -0.660 1.00 0.02 H new ATOM 0 HD22 LEU A 18 51.585 0.903 -0.243 1.00 0.02 H new ATOM 0 HD23 LEU A 18 51.983 0.037 -1.746 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 4.835 -5.991 1.00 0.02 C ATOM 286 O PHE A 19 47.226 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 46.228 4.495 -2.386 1.00 0.02 C ATOM 289 CD1 PHE A 19 46.738 3.210 -2.058 1.00 0.02 C ATOM 290 CD2 PHE A 19 45.528 5.254 -1.429 1.00 0.00 C ATOM 291 CE1 PHE A 19 46.551 2.690 -0.766 1.00 0.02 C ATOM 292 CE2 PHE A 19 45.336 4.736 -0.138 1.00 0.02 C ATOM 293 CZ PHE A 19 45.853 3.459 0.182 1.00 0.02 C ATOM 0 H PHE A 19 48.885 5.074 -3.248 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 46.721 6.135 -3.671 1.00 0.02 H new ATOM 0 HB3 PHE A 19 45.452 5.096 -4.289 1.00 0.02 H new ATOM 0 HD1 PHE A 19 47.269 2.633 -2.801 1.00 0.02 H new ATOM 0 HD2 PHE A 19 45.141 6.229 -1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 19 46.937 1.716 -0.505 1.00 0.02 H new ATOM 0 HE2 PHE A 19 44.798 5.308 0.604 1.00 0.02 H new ATOM 0 HZ PHE A 19 45.708 3.065 1.177 1.00 0.02 H new ATOM 303 N ASP A 20 48.063 6.062 -6.072 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 6.145 -8.150 1.00 0.00 C ATOM 306 O ASP A 20 50.449 6.733 -8.248 1.00 0.02 O ATOM 307 CB ASP A 20 48.307 8.227 -7.197 1.00 0.02 C ATOM 308 CG ASP A 20 47.949 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 48.399 6.607 -5.278 1.00 0.03 H new ATOM 0 HA ASP A 20 47.305 6.491 -7.958 1.00 0.02 H new ATOM 0 HB2 ASP A 20 47.641 8.556 -6.399 1.00 0.02 H new ATOM 0 HB3 ASP A 20 49.320 8.494 -6.897 1.00 0.02 H new ATOM 315 N LYS A 21 49.131 4.918 -8.621 1.00 0.02 N ATOM 316 CA LYS A 21 50.212 4.139 -9.235 1.00 0.02 C ATOM 317 C LYS A 21 50.683 4.696 -10.563 1.00 0.02 C ATOM 318 O LYS A 21 51.820 4.506 -10.989 1.00 0.02 O ATOM 319 CB LYS A 21 49.787 2.661 -9.350 1.00 0.02 C ATOM 320 CG LYS A 21 48.514 2.384 -10.169 1.00 0.00 C ATOM 321 CD LYS A 21 48.739 2.217 -11.673 1.00 0.02 C ATOM 322 CE LYS A 21 47.461 2.443 -12.476 1.00 0.03 C ATOM 323 NZ LYS A 21 47.750 2.108 -13.876 1.00 0.02 N ATOM 0 H LYS A 21 48.224 4.452 -8.592 1.00 0.02 H new ATOM 0 HA LYS A 21 51.078 4.213 -8.577 1.00 0.02 H new ATOM 0 HB2 LYS A 21 50.610 2.101 -9.795 1.00 0.02 H new ATOM 0 HB3 LYS A 21 49.640 2.267 -8.344 1.00 0.02 H new ATOM 0 HG2 LYS A 21 48.042 1.480 -9.785 1.00 0.00 H new ATOM 0 HG3 LYS A 21 47.812 3.203 -10.010 1.00 0.00 H new ATOM 0 HD2 LYS A 21 49.503 2.920 -12.004 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 46.653 1.820 -12.092 1.00 0.03 H new ATOM 0 HE3 LYS A 21 47.133 3.479 -12.390 1.00 0.03 H new ATOM 0 HZ1 LYS A 21 46.896 2.252 -14.451 1.00 0.02 H new ATOM 0 HZ2 LYS A 21 48.513 2.721 -14.229 1.00 0.02 H new ATOM 0 HZ3 LYS A 21 48.047 1.113 -13.941 1.00 0.02 H new ATOM 337 N ASP A 22 49.695 5.310 -11.221 1.00 0.00 N ATOM 338 CA ASP A 22 49.972 5.992 -12.482 1.00 0.02 C ATOM 339 C ASP A 22 50.481 7.411 -12.278 1.00 0.02 C ATOM 340 O ASP A 22 51.136 7.971 -13.163 1.00 0.03 O ATOM 341 CB ASP A 22 48.716 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 48.724 5.348 -10.911 1.00 0.00 H new ATOM 0 HA ASP A 22 50.778 5.456 -12.983 1.00 0.02 H new ATOM 0 HB2 ASP A 22 48.871 6.600 -14.251 1.00 0.00 H new ATOM 0 HB3 ASP A 22 48.565 4.945 -13.760 1.00 0.00 H new ATOM 349 N GLY A 23 50.179 7.939 -11.074 1.00 0.00 N ATOM 350 CA GLY A 23 50.520 9.336 -10.853 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 -11.968 1.00 0.02 O ATOM 0 H GLY A 23 49.732 7.452 -10.298 1.00 0.00 H new ATOM 0 HA2 GLY A 23 50.446 9.557 -9.788 1.00 0.00 H new ATOM 0 HA3 GLY A 23 51.558 9.500 -11.142 1.00 0.00 H new ATOM 356 N ASP A 24 48.411 9.832 -11.934 1.00 0.02 N ATOM 357 CA ASP A 24 47.488 10.702 -12.659 1.00 0.01 C ATOM 358 C ASP A 24 46.849 11.803 -11.814 1.00 0.02 C ATOM 359 O ASP A 24 46.177 12.691 -12.331 1.00 0.02 O ATOM 360 CB ASP A 24 46.445 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 8.902 -11.705 1.00 0.02 H new ATOM 0 HA ASP A 24 48.099 11.248 -13.378 1.00 0.01 H new ATOM 0 HB2 ASP A 24 45.880 10.536 -14.100 1.00 0.02 H new ATOM 0 HB3 ASP A 24 46.964 9.159 -14.085 1.00 0.02 H new ATOM 368 N GLY A 25 47.165 11.757 -10.522 1.00 0.02 N ATOM 369 CA GLY A 25 46.575 12.696 -9.579 1.00 0.02 C ATOM 370 C GLY A 25 45.146 12.383 -9.174 1.00 0.02 C ATOM 371 O GLY A 25 44.443 13.282 -8.723 1.00 0.00 O ATOM 0 H GLY A 25 47.817 11.089 -10.111 1.00 0.02 H new ATOM 0 HA2 GLY A 25 47.193 12.724 -8.682 1.00 0.02 H new ATOM 0 HA3 GLY A 25 46.603 13.694 -10.017 1.00 0.02 H new ATOM 375 N THR A 26 44.734 11.119 -9.340 1.00 0.02 N ATOM 376 CA THR A 26 43.345 10.732 -9.099 1.00 0.02 C ATOM 377 C THR A 26 43.158 9.260 -8.776 1.00 0.02 C ATOM 378 O THR A 26 43.364 8.354 -9.569 1.00 0.02 O ATOM 379 CB THR A 26 42.379 11.063 -10.266 1.00 0.01 C ATOM 380 OG1 THR A 26 42.746 10.440 -11.499 1.00 0.02 O ATOM 381 CG2 THR A 26 42.104 12.550 -10.496 1.00 0.00 C ATOM 0 H THR A 26 45.341 10.355 -9.638 1.00 0.02 H new ATOM 0 HA THR A 26 43.093 11.338 -8.229 1.00 0.02 H new ATOM 0 HB THR A 26 41.441 10.630 -9.917 1.00 0.01 H new ATOM 0 HG1 THR A 26 43.601 9.975 -11.389 1.00 0.02 H new ATOM 0 HG21 THR A 26 41.417 12.668 -11.334 1.00 0.00 H new ATOM 0 HG22 THR A 26 41.659 12.981 -9.599 1.00 0.00 H new ATOM 0 HG23 THR A 26 43.040 13.063 -10.719 1.00 0.00 H new ATOM 389 N ILE A 27 42.604 9.027 -7.583 1.00 0.02 N ATOM 390 CA ILE A 27 42.377 7.611 -7.268 1.00 0.02 C ATOM 391 C ILE A 27 41.189 7.058 -8.041 1.00 0.00 C ATOM 392 O ILE A 27 40.050 7.493 -7.892 1.00 0.02 O ATOM 393 CB ILE A 27 42.213 7.388 -5.753 1.00 0.00 C ATOM 394 CG1 ILE A 27 43.461 7.853 -4.998 1.00 0.02 C ATOM 395 CG2 ILE A 27 41.916 5.920 -5.413 1.00 0.02 C ATOM 396 CD1 ILE A 27 43.266 7.794 -3.480 1.00 0.01 C ATOM 0 H ILE A 27 42.328 9.716 -6.883 1.00 0.02 H new ATOM 0 HA ILE A 27 43.263 7.060 -7.584 1.00 0.02 H new ATOM 0 HB ILE A 27 41.357 7.984 -5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 27 44.309 7.229 -5.279 1.00 0.02 H new ATOM 0 HG13 ILE A 27 43.705 8.874 -5.293 1.00 0.02 H new ATOM 0 HG21 ILE A 27 41.808 5.811 -4.334 1.00 0.02 H new ATOM 0 HG22 ILE A 27 40.992 5.613 -5.903 1.00 0.02 H new ATOM 0 HG23 ILE A 27 42.737 5.293 -5.761 1.00 0.02 H new ATOM 0 HD11 ILE A 27 44.175 8.132 -2.983 1.00 0.01 H new ATOM 0 HD12 ILE A 27 42.435 8.439 -3.195 1.00 0.01 H new ATOM 0 HD13 ILE A 27 43.049 6.769 -3.181 1.00 0.01 H new ATOM 408 N THR A 28 41.475 6.079 -8.902 1.00 0.02 N ATOM 409 CA THR A 28 40.403 5.473 -9.657 1.00 0.02 C ATOM 410 C THR A 28 39.794 4.330 -8.893 1.00 0.02 C ATOM 411 O THR A 28 40.391 3.735 -8.000 1.00 0.00 O ATOM 412 CB THR A 28 40.881 4.974 -11.037 1.00 0.02 C ATOM 413 OG1 THR A 28 41.523 3.670 -11.007 1.00 0.01 O ATOM 414 CG2 THR A 28 41.751 6.008 -11.754 1.00 0.02 C ATOM 0 H THR A 28 42.407 5.707 -9.083 1.00 0.02 H new ATOM 0 HA THR A 28 39.650 6.245 -9.816 1.00 0.02 H new ATOM 0 HB THR A 28 39.968 4.841 -11.618 1.00 0.02 H new ATOM 0 HG1 THR A 28 41.797 3.419 -11.914 1.00 0.01 H new ATOM 0 HG21 THR A 28 42.064 5.613 -12.720 1.00 0.02 H new ATOM 0 HG22 THR A 28 41.179 6.924 -11.904 1.00 0.02 H new ATOM 0 HG23 THR A 28 42.631 6.225 -11.149 1.00 0.02 H new ATOM 422 N THR A 29 38.614 3.926 -9.383 1.00 0.01 N ATOM 423 CA THR A 29 37.917 2.834 -8.692 1.00 0.02 C ATOM 424 C THR A 29 38.786 1.559 -8.697 1.00 0.02 C ATOM 425 O THR A 29 39.010 0.738 -7.794 1.00 0.02 O ATOM 426 CB THR A 29 36.577 2.599 -9.418 1.00 0.01 C ATOM 427 OG1 THR A 29 36.819 1.872 -10.636 1.00 0.02 O ATOM 428 CG2 THR A 29 35.803 3.885 -9.735 1.00 0.02 C ATOM 0 H THR A 29 38.145 4.310 -10.203 1.00 0.01 H new ATOM 0 HA THR A 29 37.731 3.093 -7.650 1.00 0.02 H new ATOM 0 HB THR A 29 35.950 2.028 -8.733 1.00 0.01 H new ATOM 0 HG1 THR A 29 35.969 1.719 -11.100 1.00 0.02 H new ATOM 0 HG21 THR A 29 34.873 3.634 -10.245 1.00 0.02 H new ATOM 0 HG22 THR A 29 35.577 4.412 -8.808 1.00 0.02 H new ATOM 0 HG23 THR A 29 36.408 4.525 -10.378 1.00 0.02 H new ATOM 436 N LYS A 30 39.351 1.413 -9.904 1.00 0.02 N ATOM 437 CA LYS A 30 40.252 0.270 -10.060 1.00 0.02 C ATOM 438 C LYS A 30 41.428 0.309 -9.116 1.00 0.01 C ATOM 439 O LYS A 30 41.792 -0.710 -8.518 1.00 0.00 O ATOM 440 CB LYS A 30 40.712 0.099 -11.504 1.00 0.03 C ATOM 441 CG LYS A 30 41.303 -1.293 -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 -3.450 -10.588 1.00 0.02 C ATOM 444 NZ LYS A 30 40.548 -2.823 -9.260 1.00 0.02 N ATOM 0 H LYS A 30 39.218 2.013 -10.718 1.00 0.02 H new ATOM 0 HA LYS A 30 39.664 -0.607 -9.789 1.00 0.02 H new ATOM 0 HB2 LYS A 30 39.868 0.267 -12.173 1.00 0.03 H new ATOM 0 HB3 LYS A 30 41.459 0.858 -11.736 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 -1.486 -11.065 1.00 0.03 H new ATOM 0 HD2 LYS A 30 39.285 -1.958 -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 -10.627 1.00 0.02 H new ATOM 0 HE3 LYS A 30 41.530 -3.907 -10.775 1.00 0.02 H new ATOM 0 HZ1 LYS A 30 40.635 -3.557 -8.529 1.00 0.02 H new ATOM 0 HZ2 LYS A 30 41.346 -2.161 -9.183 1.00 0.02 H new ATOM 0 HZ3 LYS A 30 39.655 -2.306 -9.127 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 43.084 1.705 -8.062 1.00 0.01 C ATOM 460 C GLU A 31 42.653 1.360 -6.672 1.00 0.02 C ATOM 461 O GLU A 31 43.330 0.568 -6.034 1.00 0.02 O ATOM 462 CB GLU A 31 43.659 3.098 -8.102 1.00 0.02 C ATOM 463 CG GLU A 31 44.458 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 41.770 2.326 -9.584 1.00 0.02 H new ATOM 0 HA GLU A 31 43.876 1.018 -8.358 1.00 0.01 H new ATOM 0 HB2 GLU A 31 42.853 3.829 -8.038 1.00 0.02 H new ATOM 0 HB3 GLU A 31 44.301 3.254 -7.235 1.00 0.02 H new ATOM 0 HG2 GLU A 31 45.233 2.568 -9.484 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 41.447 1.801 -6.290 1.00 0.02 N ATOM 474 CA LEU A 32 40.884 1.398 -5.000 1.00 0.02 C ATOM 475 C LEU A 32 40.895 -0.100 -4.805 1.00 0.02 C ATOM 476 O LEU A 32 41.203 -0.642 -3.749 1.00 0.00 O ATOM 477 CB LEU A 32 39.474 1.953 -4.793 1.00 0.02 C ATOM 478 CG LEU A 32 38.931 1.674 -3.384 1.00 0.02 C ATOM 479 CD1 LEU A 32 38.145 2.861 -2.848 1.00 0.02 C ATOM 480 CD2 LEU A 32 38.139 0.365 -3.283 1.00 0.00 C ATOM 0 H LEU A 32 40.856 2.422 -6.843 1.00 0.02 H new ATOM 0 HA LEU A 32 41.536 1.832 -4.242 1.00 0.02 H new ATOM 0 HB2 LEU A 32 39.481 3.029 -4.969 1.00 0.02 H new ATOM 0 HB3 LEU A 32 38.803 1.514 -5.531 1.00 0.02 H new ATOM 0 HG LEU A 32 39.802 1.535 -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 38.794 3.736 -2.802 1.00 0.02 H new ATOM 0 HD13 LEU A 32 37.303 3.068 -3.508 1.00 0.02 H new ATOM 0 HD21 LEU A 32 37.785 0.232 -2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 32 37.286 0.403 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 32 38.782 -0.471 -3.556 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 -2.255 -5.809 1.00 0.03 C ATOM 494 C GLY A 33 42.080 -2.693 -5.380 1.00 0.02 C ATOM 495 O GLY A 33 42.286 -3.485 -4.476 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 39.966 -2.629 -5.098 1.00 0.03 H new ATOM 0 HA3 GLY A 33 40.467 -2.699 -6.776 1.00 0.03 H new ATOM 499 N THR A 34 43.053 -2.114 -6.065 1.00 0.02 N ATOM 500 CA THR A 34 44.432 -2.342 -5.625 1.00 0.02 C ATOM 501 C THR A 34 44.707 -1.975 -4.178 1.00 0.00 C ATOM 502 O THR A 34 45.248 -2.794 -3.449 1.00 0.02 O ATOM 503 CB THR A 34 45.350 -1.681 -6.635 1.00 0.02 C ATOM 504 OG1 THR A 34 44.949 -2.215 -7.907 1.00 0.02 O ATOM 505 CG2 THR A 34 46.848 -1.879 -6.368 1.00 0.02 C ATOM 0 H THR A 34 42.934 -1.515 -6.882 1.00 0.02 H new ATOM 0 HA THR A 34 44.631 -3.414 -5.608 1.00 0.02 H new ATOM 0 HB THR A 34 45.244 -0.597 -6.582 1.00 0.02 H new ATOM 0 HG1 THR A 34 45.505 -1.826 -8.615 1.00 0.02 H new ATOM 0 HG21 THR A 34 47.425 -1.372 -7.141 1.00 0.02 H new ATOM 0 HG22 THR A 34 47.102 -1.463 -5.393 1.00 0.02 H new ATOM 0 HG23 THR A 34 47.082 -2.943 -6.380 1.00 0.02 H new ATOM 513 N VAL A 35 44.178 -0.811 -3.778 1.00 0.01 N ATOM 514 CA VAL A 35 44.231 -0.294 -2.412 1.00 0.02 C ATOM 515 C VAL A 35 43.717 -1.295 -1.387 1.00 0.02 C ATOM 516 O VAL A 35 44.473 -1.868 -0.611 1.00 0.02 O ATOM 517 CB VAL A 35 43.423 1.012 -2.356 1.00 0.02 C ATOM 518 CG1 VAL A 35 43.267 1.587 -0.949 1.00 0.02 C ATOM 519 CG2 VAL A 35 43.968 2.028 -3.353 1.00 0.00 C ATOM 0 H VAL A 35 43.687 -0.187 -4.419 1.00 0.01 H new ATOM 0 HA VAL A 35 45.273 -0.107 -2.152 1.00 0.02 H new ATOM 0 HB VAL A 35 42.406 0.761 -2.656 1.00 0.02 H new ATOM 0 HG11 VAL A 35 42.685 2.508 -0.995 1.00 0.02 H new ATOM 0 HG12 VAL A 35 42.753 0.864 -0.315 1.00 0.02 H new ATOM 0 HG13 VAL A 35 44.251 1.800 -0.532 1.00 0.02 H new ATOM 0 HG21 VAL A 35 43.381 2.945 -3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 35 45.009 2.248 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 35 43.905 1.619 -4.361 1.00 0.00 H new ATOM 529 N MET A 36 42.412 -1.544 -1.453 1.00 0.02 N ATOM 530 CA MET A 36 41.833 -2.495 -0.507 1.00 0.02 C ATOM 531 C MET A 36 42.510 -3.852 -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 -0.158 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 40.906 0.171 1.682 1.00 0.02 C ATOM 0 H MET A 36 41.761 -1.124 -2.117 1.00 0.02 H new ATOM 0 HA MET A 36 42.011 -2.126 0.503 1.00 0.02 H new ATOM 0 HB2 MET A 36 40.121 -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 -0.630 1.00 0.01 H new ATOM 0 HG3 MET A 36 38.527 -1.439 -0.395 1.00 0.01 H new ATOM 0 HE1 MET A 36 41.056 0.476 2.718 1.00 0.02 H new ATOM 0 HE2 MET A 36 41.866 -0.096 1.240 1.00 0.02 H new ATOM 0 HE3 MET A 36 40.465 0.995 1.121 1.00 0.02 H new ATOM 546 N ARG A 37 42.813 -4.230 -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 45.398 -6.501 -0.859 1.00 0.02 O ATOM 550 CB ARG A 37 43.732 -5.761 -3.476 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 -10.282 -4.115 1.00 0.02 C ATOM 555 NH1 ARG A 37 44.368 -9.945 -5.266 1.00 0.02 N ATOM 556 NH2 ARG A 37 44.018 -11.477 -3.574 1.00 0.02 N ATOM 0 H ARG A 37 42.556 -3.727 -2.645 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 -3.993 1.00 0.02 H new ATOM 0 HB3 ARG A 37 44.531 -5.139 -3.880 1.00 0.02 H new ATOM 0 HG2 ARG A 37 44.689 -7.262 -4.653 1.00 0.02 H new ATOM 0 HG3 ARG A 37 44.589 -7.642 -2.945 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 -9.674 -2.651 1.00 0.02 H new ATOM 0 HH11 ARG A 37 44.196 -9.026 -5.674 1.00 0.02 H new ATOM 0 HH12 ARG A 37 44.985 -10.606 -5.738 1.00 0.02 H new ATOM 0 HH21 ARG A 37 43.579 -11.730 -2.689 1.00 0.02 H new ATOM 0 HH22 ARG A 37 44.635 -12.139 -4.045 1.00 0.02 H new ATOM 570 N SER A 38 45.598 -4.308 -1.366 1.00 0.02 N ATOM 571 CA SER A 38 46.974 -4.217 -0.886 1.00 0.02 C ATOM 572 C SER A 38 47.062 -4.441 0.606 1.00 0.02 C ATOM 573 O SER A 38 47.968 -5.071 1.131 1.00 0.02 O ATOM 574 CB SER A 38 47.638 -2.885 -1.293 1.00 0.00 C ATOM 575 OG SER A 38 47.015 -1.765 -0.653 1.00 0.02 O ATOM 0 H SER A 38 45.201 -3.431 -1.703 1.00 0.02 H new ATOM 0 HA SER A 38 47.531 -5.019 -1.371 1.00 0.02 H new ATOM 0 HB2 SER A 38 48.696 -2.911 -1.032 1.00 0.00 H new ATOM 0 HB3 SER A 38 47.579 -2.765 -2.375 1.00 0.00 H new ATOM 0 HG SER A 38 46.078 -1.977 -0.462 1.00 0.02 H new ATOM 581 N LEU A 39 46.001 -3.943 1.249 1.00 0.02 N ATOM 582 CA LEU A 39 45.853 -4.141 2.689 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 -5.909 4.235 1.00 0.03 O ATOM 585 CB LEU A 39 44.820 -3.135 3.208 1.00 0.01 C ATOM 586 CG LEU A 39 45.258 -1.666 3.404 1.00 0.02 C ATOM 587 CD1 LEU A 39 46.145 -1.050 2.318 1.00 0.00 C ATOM 588 CD2 LEU A 39 44.025 -0.792 3.608 1.00 0.02 C ATOM 0 H LEU A 39 45.250 -3.413 0.806 1.00 0.02 H new ATOM 0 HA LEU A 39 46.820 -3.969 3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 39 43.976 -3.140 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 45.901 -1.697 4.284 1.00 0.02 H new ATOM 0 HD11 LEU A 39 46.378 -0.018 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 39 47.070 -1.621 2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 39 45.620 -1.072 1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 39 44.333 0.245 3.746 1.00 0.02 H new ATOM 0 HD22 LEU A 39 43.379 -0.865 2.733 1.00 0.02 H new ATOM 0 HD23 LEU A 39 43.481 -1.130 4.490 1.00 0.02 H new ATOM 600 N GLY A 40 45.332 -6.395 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 -8.140 2.249 1.00 0.01 C ATOM 603 O GLY A 40 43.078 -8.708 3.192 1.00 0.02 O ATOM 0 H GLY A 40 45.383 -6.110 1.038 1.00 0.02 H new ATOM 0 HA2 GLY A 40 45.572 -8.391 1.462 1.00 0.02 H new ATOM 0 HA3 GLY A 40 45.519 -8.108 3.191 1.00 0.02 H new ATOM 607 N GLN A 41 42.941 -7.767 1.144 1.00 0.01 N ATOM 608 CA GLN A 41 41.485 -7.962 1.087 1.00 0.01 C ATOM 609 C GLN A 41 41.086 -8.281 -0.336 1.00 0.02 C ATOM 610 O GLN A 41 41.929 -8.246 -1.223 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 -6.310 3.030 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 39.329 -8.092 3.581 1.00 0.02 O flip ATOM 615 NE2 GLN A 41 41.081 -7.712 4.963 1.00 0.00 N flip ATOM 0 H GLN A 41 43.364 -7.349 0.315 1.00 0.01 H new ATOM 0 HA GLN A 41 41.230 -8.783 1.758 1.00 0.01 H new ATOM 0 HB2 GLN A 41 41.044 -5.871 0.941 1.00 0.02 H new ATOM 0 HB3 GLN A 41 39.661 -6.869 1.342 1.00 0.02 H new ATOM 0 HG2 GLN A 41 41.891 -6.035 3.237 1.00 0.00 H new ATOM 0 HG3 GLN A 41 40.247 -5.428 3.225 1.00 0.00 H new ATOM 0 HE21 GLN A 41 41.915 -7.173 5.198 1.00 0.00 H new ATOM 0 HE22 GLN A 41 40.786 -8.482 5.563 1.00 0.00 H new ATOM 624 N ASN A 42 39.793 -8.565 -0.574 1.00 0.02 N ATOM 625 CA ASN A 42 39.366 -8.733 -1.974 1.00 0.01 C ATOM 626 C ASN A 42 38.053 -8.043 -2.256 1.00 0.00 C ATOM 627 O ASN A 42 37.008 -8.549 -1.884 1.00 0.02 O ATOM 628 CB ASN A 42 39.256 -10.218 -2.351 1.00 0.02 C ATOM 629 CG ASN A 42 39.118 -10.411 -3.856 1.00 0.02 C ATOM 630 OD1 ASN A 42 38.899 -9.502 -4.641 1.00 0.02 O ATOM 631 ND2 ASN A 42 39.322 -11.672 -4.244 1.00 0.01 N ATOM 0 H ASN A 42 39.067 -8.677 0.133 1.00 0.02 H new ATOM 0 HA ASN A 42 40.136 -8.265 -2.587 1.00 0.01 H new ATOM 0 HB2 ASN A 42 40.139 -10.750 -1.996 1.00 0.02 H new ATOM 0 HB3 ASN A 42 38.395 -10.658 -1.848 1.00 0.02 H new ATOM 0 HD21 ASN A 42 39.299 -11.911 -5.235 1.00 0.01 H new ATOM 0 HD22 ASN A 42 39.501 -12.397 -3.549 1.00 0.01 H new ATOM 638 N PRO A 43 38.172 -6.856 -2.893 1.00 0.02 N ATOM 639 CA PRO A 43 36.982 -6.105 -3.244 1.00 0.00 C ATOM 640 C PRO A 43 36.397 -6.546 -4.590 1.00 0.01 C ATOM 641 O PRO A 43 37.109 -6.792 -5.569 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 39.420 -6.167 -3.223 1.00 0.01 C ATOM 0 HA PRO A 43 36.120 -6.236 -2.590 1.00 0.00 H new ATOM 0 HB2 PRO A 43 36.960 -4.009 -3.834 1.00 0.02 H new ATOM 0 HB3 PRO A 43 37.532 -4.276 -2.199 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 39.984 -6.709 -3.982 1.00 0.01 H new ATOM 0 HD3 PRO A 43 40.066 -6.076 -2.350 1.00 0.01 H new ATOM 652 N THR A 44 35.066 -6.661 -4.585 1.00 0.02 N ATOM 653 CA THR A 44 34.381 -6.963 -5.837 1.00 0.01 C ATOM 654 C THR A 44 34.354 -5.716 -6.728 1.00 0.02 C ATOM 655 O THR A 44 34.762 -4.645 -6.298 1.00 0.02 O ATOM 656 CB THR A 44 32.996 -7.534 -5.476 1.00 0.00 C ATOM 657 OG1 THR A 44 33.178 -8.526 -4.454 1.00 0.01 O ATOM 658 CG2 THR A 44 32.188 -8.133 -6.632 1.00 0.02 C ATOM 0 H THR A 44 34.467 -6.555 -3.766 1.00 0.02 H new ATOM 0 HA THR A 44 34.899 -7.717 -6.430 1.00 0.01 H new ATOM 0 HB THR A 44 32.400 -6.683 -5.145 1.00 0.00 H new ATOM 0 HG1 THR A 44 32.308 -8.903 -4.206 1.00 0.01 H new ATOM 0 HG21 THR A 44 31.234 -8.502 -6.256 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 -8.957 -7.077 1.00 0.02 H new ATOM 666 N GLU A 45 33.915 -5.873 -7.993 1.00 0.02 N ATOM 667 CA GLU A 45 33.768 -4.677 -8.836 1.00 0.02 C ATOM 668 C GLU A 45 32.907 -3.600 -8.214 1.00 0.02 C ATOM 669 O GLU A 45 33.250 -2.422 -8.228 1.00 0.01 O ATOM 670 CB GLU A 45 33.233 -5.037 -10.219 1.00 0.01 C ATOM 671 CG GLU A 45 34.286 -5.760 -11.055 1.00 0.02 C ATOM 672 CD GLU A 45 33.795 -5.939 -12.475 1.00 0.02 C ATOM 673 OE1 GLU A 45 33.168 -6.963 -12.756 1.00 0.02 O ATOM 674 OE2 GLU A 45 34.066 -5.065 -13.299 1.00 0.02 O ATOM 0 H GLU A 45 33.670 -6.761 -8.431 1.00 0.02 H new ATOM 0 HA GLU A 45 34.772 -4.264 -8.932 1.00 0.02 H new ATOM 0 HB2 GLU A 45 32.351 -5.670 -10.116 1.00 0.01 H new ATOM 0 HB3 GLU A 45 32.916 -4.131 -10.735 1.00 0.01 H new ATOM 0 HG2 GLU A 45 35.216 -5.191 -11.053 1.00 0.02 H new ATOM 0 HG3 GLU A 45 34.506 -6.732 -10.614 1.00 0.02 H new ATOM 681 N ALA A 46 31.826 -4.129 -7.592 1.00 0.00 N ATOM 682 CA ALA A 46 30.940 -3.273 -6.816 1.00 0.01 C ATOM 683 C ALA A 46 31.750 -2.511 -5.799 1.00 0.00 C ATOM 684 O ALA A 46 31.741 -1.304 -5.731 1.00 0.01 O ATOM 685 CB ALA A 46 29.853 -4.104 -6.129 1.00 0.01 C ATOM 0 H ALA A 46 31.564 -5.114 -7.618 1.00 0.00 H new ATOM 0 HA ALA A 46 30.447 -2.566 -7.484 1.00 0.01 H new ATOM 0 HB1 ALA A 46 29.201 -3.446 -5.554 1.00 0.01 H new ATOM 0 HB2 ALA A 46 29.266 -4.629 -6.882 1.00 0.01 H new ATOM 0 HB3 ALA A 46 30.317 -4.829 -5.461 1.00 0.01 H new ATOM 691 N GLU A 47 32.627 -3.249 -5.122 1.00 0.02 N ATOM 692 CA GLU A 47 33.342 -2.532 -4.079 1.00 0.00 C ATOM 693 C GLU A 47 34.213 -1.418 -4.580 1.00 0.00 C ATOM 694 O GLU A 47 34.532 -0.501 -3.861 1.00 0.02 O ATOM 695 CB GLU A 47 34.155 -3.497 -3.225 1.00 0.02 C ATOM 696 CG GLU A 47 33.346 -4.205 -2.133 1.00 0.00 C ATOM 697 CD GLU A 47 31.996 -4.636 -2.667 1.00 0.01 C ATOM 698 OE1 GLU A 47 31.957 -5.507 -3.533 1.00 0.02 O ATOM 699 OE2 GLU A 47 30.997 -4.079 -2.231 1.00 0.02 O ATOM 0 H GLU A 47 32.844 -4.237 -5.255 1.00 0.02 H new ATOM 0 HA GLU A 47 32.572 -2.057 -3.471 1.00 0.00 H new ATOM 0 HB2 GLU A 47 34.604 -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 33.895 -5.075 -1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 47 33.211 -3.537 -1.282 1.00 0.00 H new ATOM 706 N LEU A 48 34.624 -1.509 -5.837 1.00 0.01 N ATOM 707 CA LEU A 48 35.465 -0.373 -6.270 1.00 0.02 C ATOM 708 C LEU A 48 34.667 0.914 -6.463 1.00 0.01 C ATOM 709 O LEU A 48 34.989 1.993 -5.988 1.00 0.00 O ATOM 710 CB LEU A 48 36.203 -0.786 -7.540 1.00 0.01 C ATOM 711 CG LEU A 48 37.344 -1.810 -7.413 1.00 0.01 C ATOM 712 CD1 LEU A 48 37.328 -2.719 -6.191 1.00 0.01 C ATOM 713 CD2 LEU A 48 37.389 -2.656 -8.674 1.00 0.02 C ATOM 0 H LEU A 48 34.430 -2.250 -6.511 1.00 0.01 H new ATOM 0 HA LEU A 48 36.183 -0.141 -5.483 1.00 0.02 H new ATOM 0 HB2 LEU A 48 35.468 -1.190 -8.237 1.00 0.01 H new ATOM 0 HB3 LEU A 48 36.613 0.115 -7.996 1.00 0.01 H new ATOM 0 HG LEU A 48 38.240 -1.205 -7.276 1.00 0.01 H new ATOM 0 HD11 LEU A 48 38.186 -3.391 -6.226 1.00 0.01 H new ATOM 0 HD12 LEU A 48 37.378 -2.113 -5.286 1.00 0.01 H new ATOM 0 HD13 LEU A 48 36.409 -3.305 -6.185 1.00 0.01 H new ATOM 0 HD21 LEU A 48 38.195 -3.386 -8.594 1.00 0.02 H new ATOM 0 HD22 LEU A 48 36.439 -3.177 -8.797 1.00 0.02 H new ATOM 0 HD23 LEU A 48 37.565 -2.014 -9.537 1.00 0.02 H new ATOM 725 N GLN A 49 33.570 0.690 -7.209 1.00 0.00 N ATOM 726 CA GLN A 49 32.641 1.789 -7.460 1.00 0.00 C ATOM 727 C GLN A 49 32.027 2.349 -6.186 1.00 0.00 C ATOM 728 O GLN A 49 31.990 3.546 -5.936 1.00 0.02 O ATOM 729 CB GLN A 49 31.567 1.294 -8.431 1.00 0.01 C ATOM 730 CG GLN A 49 30.608 2.389 -8.901 1.00 0.02 C ATOM 731 CD GLN A 49 30.722 2.518 -10.403 1.00 0.02 C ATOM 732 OE1 GLN A 49 29.875 2.090 -11.177 1.00 0.00 O ATOM 733 NE2 GLN A 49 31.861 3.082 -10.820 1.00 0.01 N ATOM 0 H GLN A 49 33.318 -0.204 -7.630 1.00 0.00 H new ATOM 0 HA GLN A 49 33.192 2.620 -7.900 1.00 0.00 H new ATOM 0 HB2 GLN A 49 32.053 0.852 -9.301 1.00 0.01 H new ATOM 0 HB3 GLN A 49 30.992 0.503 -7.950 1.00 0.01 H new ATOM 0 HG2 GLN A 49 29.584 2.142 -8.619 1.00 0.02 H new ATOM 0 HG3 GLN A 49 30.851 3.337 -8.420 1.00 0.02 H new ATOM 0 HE21 GLN A 49 32.539 3.425 -10.140 1.00 0.01 H new ATOM 0 HE22 GLN A 49 32.051 3.169 -11.818 1.00 0.01 H new ATOM 742 N ASP A 50 31.569 1.393 -5.384 1.00 0.01 N ATOM 743 CA ASP A 50 30.843 1.723 -4.173 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 -2.471 1.00 0.01 O ATOM 746 CB ASP A 50 30.043 0.537 -3.617 1.00 0.01 C ATOM 747 CG ASP A 50 28.947 0.090 -4.574 1.00 0.00 C ATOM 748 OD1 ASP A 50 28.076 0.891 -4.928 1.00 0.01 O ATOM 749 OD2 ASP A 50 28.963 -1.079 -4.953 1.00 0.00 O ATOM 0 H ASP A 50 31.688 0.394 -5.552 1.00 0.01 H new ATOM 0 HA ASP A 50 30.132 2.499 -4.456 1.00 0.01 H new ATOM 0 HB2 ASP A 50 30.718 -0.297 -3.424 1.00 0.01 H new ATOM 0 HB3 ASP A 50 29.599 0.815 -2.661 1.00 0.01 H new ATOM 754 N MET A 51 32.936 1.642 -2.947 1.00 0.01 N ATOM 755 CA MET A 51 33.827 2.182 -1.911 1.00 0.02 C ATOM 756 C MET A 51 34.319 3.580 -2.183 1.00 0.02 C ATOM 757 O MET A 51 34.582 4.331 -1.264 1.00 0.01 O ATOM 758 CB MET A 51 35.094 1.367 -1.668 1.00 0.01 C ATOM 759 CG MET A 51 35.014 0.019 -0.956 1.00 0.01 C ATOM 760 SD MET A 51 33.376 -0.699 -0.898 1.00 0.01 S ATOM 761 CE MET A 51 33.179 -0.495 0.874 1.00 0.01 C ATOM 0 H MET A 51 33.275 0.834 -3.469 1.00 0.01 H new ATOM 0 HA MET A 51 33.169 2.151 -1.043 1.00 0.02 H new ATOM 0 HB2 MET A 51 35.558 1.193 -2.639 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 -1.454 1.00 0.01 H new ATOM 0 HG3 MET A 51 35.379 0.140 0.064 1.00 0.01 H new ATOM 0 HE1 MET A 51 32.143 -0.693 1.150 1.00 0.01 H new ATOM 0 HE2 MET A 51 33.833 -1.194 1.396 1.00 0.01 H new ATOM 0 HE3 MET A 51 33.441 0.525 1.154 1.00 0.01 H new ATOM 771 N ILE A 52 34.482 3.881 -3.483 1.00 0.02 N ATOM 772 CA ILE A 52 34.732 5.287 -3.826 1.00 0.00 C ATOM 773 C ILE A 52 33.521 6.151 -3.511 1.00 0.02 C ATOM 774 O ILE A 52 33.575 7.058 -2.702 1.00 0.00 O ATOM 775 CB ILE A 52 35.207 5.407 -5.288 1.00 0.01 C ATOM 776 CG1 ILE A 52 36.659 4.921 -5.304 1.00 0.00 C ATOM 777 CG2 ILE A 52 35.102 6.841 -5.835 1.00 0.00 C ATOM 778 CD1 ILE A 52 37.551 5.512 -6.395 1.00 0.02 C ATOM 0 H ILE A 52 34.449 3.223 -4.262 1.00 0.02 H new ATOM 0 HA ILE A 52 35.541 5.669 -3.203 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 5.144 -4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 52 36.657 3.836 -5.412 1.00 0.00 H new ATOM 0 HG21 ILE A 52 35.450 6.863 -6.868 1.00 0.00 H new ATOM 0 HG22 ILE A 52 34.064 7.171 -5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 52 35.717 7.507 -5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 52 38.555 5.096 -6.309 1.00 0.02 H new ATOM 0 HD12 ILE A 52 37.139 5.267 -7.374 1.00 0.02 H new ATOM 0 HD13 ILE A 52 37.596 6.595 -6.281 1.00 0.02 H new ATOM 790 N ASN A 53 32.399 5.741 -4.121 1.00 0.02 N ATOM 791 CA ASN A 53 31.196 6.576 -4.019 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 7.873 -2.240 1.00 0.01 O ATOM 794 CB ASN A 53 30.099 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 28.962 8.111 -4.858 1.00 0.01 O ATOM 797 ND2 ASN A 53 27.952 6.371 -5.794 1.00 0.00 N ATOM 0 H ASN A 53 32.299 4.883 -4.663 1.00 0.02 H new ATOM 0 HA ASN A 53 31.470 7.566 -4.382 1.00 0.02 H new ATOM 0 HB2 ASN A 53 30.526 5.639 -5.834 1.00 0.01 H new ATOM 0 HB3 ASN A 53 29.709 5.070 -4.392 1.00 0.01 H new ATOM 0 HD21 ASN A 53 27.146 6.934 -6.064 1.00 0.00 H new ATOM 0 HD22 ASN A 53 27.980 5.377 -6.023 1.00 0.00 H new ATOM 804 N GLU A 54 30.949 5.818 -1.767 1.00 0.00 N ATOM 805 CA GLU A 54 30.563 5.962 -0.368 1.00 0.00 C ATOM 806 C GLU A 54 31.330 7.029 0.385 1.00 0.01 C ATOM 807 O GLU A 54 30.856 7.534 1.406 1.00 0.00 O ATOM 808 CB GLU A 54 30.634 4.636 0.410 1.00 0.00 C ATOM 809 CG GLU A 54 32.060 4.103 0.622 1.00 0.01 C ATOM 810 CD GLU A 54 32.125 2.980 1.645 1.00 0.01 C ATOM 811 OE1 GLU A 54 31.329 2.050 1.574 1.00 0.01 O ATOM 812 OE2 GLU A 54 32.982 3.021 2.525 1.00 0.01 O ATOM 0 H GLU A 54 31.390 4.934 -2.021 1.00 0.00 H new ATOM 0 HA GLU A 54 29.524 6.287 -0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 54 30.162 4.773 1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 54 30.053 3.884 -0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 54 32.454 3.745 -0.329 1.00 0.01 H new ATOM 0 HG3 GLU A 54 32.704 4.921 0.946 1.00 0.01 H new ATOM 819 N VAL A 55 32.537 7.309 -0.125 1.00 0.01 N ATOM 820 CA VAL A 55 33.373 8.336 0.471 1.00 0.02 C ATOM 821 C VAL A 55 33.697 9.486 -0.465 1.00 0.02 C ATOM 822 O VAL A 55 34.573 10.292 -0.181 1.00 0.02 O ATOM 823 CB VAL A 55 34.646 7.710 1.063 1.00 0.01 C ATOM 824 CG1 VAL A 55 34.261 6.753 2.191 1.00 0.01 C ATOM 825 CG2 VAL A 55 35.540 7.030 0.020 1.00 0.01 C ATOM 0 H VAL A 55 32.943 6.842 -0.936 1.00 0.01 H new ATOM 0 HA VAL A 55 32.789 8.783 1.276 1.00 0.02 H new ATOM 0 HB VAL A 55 35.254 8.521 1.464 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 33.729 7.302 2.968 1.00 0.01 H new ATOM 0 HG13 VAL A 55 33.617 5.967 1.797 1.00 0.01 H new ATOM 0 HG21 VAL A 55 36.419 6.612 0.511 1.00 0.01 H new ATOM 0 HG22 VAL A 55 34.984 6.231 -0.471 1.00 0.01 H new ATOM 0 HG23 VAL A 55 35.854 7.763 -0.723 1.00 0.01 H new ATOM 835 N ASP A 56 32.960 9.528 -1.588 1.00 0.01 N ATOM 836 CA ASP A 56 33.151 10.621 -2.538 1.00 0.02 C ATOM 837 C ASP A 56 32.324 11.824 -2.130 1.00 0.02 C ATOM 838 O ASP A 56 31.100 11.776 -1.988 1.00 0.02 O ATOM 839 CB ASP A 56 32.833 10.161 -3.969 1.00 0.02 C ATOM 840 CG ASP A 56 33.311 11.189 -4.979 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 32.252 8.841 -1.849 1.00 0.01 H new ATOM 0 HA ASP A 56 34.198 10.922 -2.524 1.00 0.02 H new ATOM 0 HB2 ASP A 56 33.313 9.202 -4.164 1.00 0.02 H new ATOM 0 HB3 ASP A 56 31.759 10.008 -4.078 1.00 0.02 H new ATOM 847 N ALA A 57 33.061 12.896 -1.855 1.00 0.00 N ATOM 848 CA ALA A 57 32.307 14.025 -1.310 1.00 0.01 C ATOM 849 C ALA A 57 31.794 14.972 -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 33.137 14.811 -0.300 1.00 0.01 C ATOM 0 H ALA A 57 34.067 13.010 -1.980 1.00 0.00 H new ATOM 0 HA ALA A 57 31.443 13.579 -0.817 1.00 0.01 H new ATOM 0 HB1 ALA A 57 32.548 15.643 0.086 1.00 0.01 H new ATOM 0 HB2 ALA A 57 33.424 14.157 0.523 1.00 0.01 H new ATOM 0 HB3 ALA A 57 34.033 15.196 -0.787 1.00 0.01 H new ATOM 857 N ASP A 58 32.506 14.933 -3.491 1.00 0.01 N ATOM 858 CA ASP A 58 32.175 15.790 -4.628 1.00 0.01 C ATOM 859 C ASP A 58 31.250 15.159 -5.658 1.00 0.02 C ATOM 860 O ASP A 58 30.640 15.854 -6.483 1.00 0.01 O ATOM 861 CB ASP A 58 33.469 16.309 -5.289 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 33.309 14.322 -3.639 1.00 0.01 H new ATOM 0 HA ASP A 58 31.603 16.622 -4.218 1.00 0.01 H new ATOM 0 HB2 ASP A 58 33.214 16.932 -6.146 1.00 0.02 H new ATOM 0 HB3 ASP A 58 34.008 16.942 -4.584 1.00 0.02 H new ATOM 869 N GLY A 59 31.116 13.821 -5.561 1.00 0.02 N ATOM 870 CA GLY A 59 30.244 13.183 -6.549 1.00 0.01 C ATOM 871 C GLY A 59 30.879 13.059 -7.937 1.00 0.02 C ATOM 872 O GLY A 59 30.183 12.834 -8.938 1.00 0.02 O ATOM 0 H GLY A 59 31.558 13.212 -4.873 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 29.321 13.757 -6.631 1.00 0.01 H new ATOM 876 N ASN A 60 32.200 13.272 -7.977 1.00 0.01 N ATOM 877 CA ASN A 60 32.904 13.216 -9.261 1.00 0.02 C ATOM 878 C ASN A 60 33.159 11.808 -9.794 1.00 0.01 C ATOM 879 O ASN A 60 33.086 11.584 -11.005 1.00 0.02 O ATOM 880 CB ASN A 60 34.180 14.074 -9.235 1.00 0.01 C ATOM 881 CG ASN A 60 35.232 13.463 -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 36.421 14.049 -8.399 1.00 0.02 N ATOM 0 H ASN A 60 32.784 13.477 -7.167 1.00 0.01 H new ATOM 0 HA ASN A 60 32.216 13.650 -9.986 1.00 0.02 H new ATOM 0 HB2 ASN A 60 34.577 14.171 -10.246 1.00 0.01 H new ATOM 0 HB3 ASN A 60 33.939 15.079 -8.889 1.00 0.01 H new ATOM 0 HD21 ASN A 60 37.198 13.693 -7.841 1.00 0.02 H new ATOM 0 HD22 ASN A 60 36.558 14.855 -9.009 1.00 0.02 H new ATOM 890 N GLY A 61 33.377 10.872 -8.864 1.00 0.01 N ATOM 891 CA GLY A 61 33.740 9.511 -9.271 1.00 0.01 C ATOM 892 C GLY A 61 35.230 9.179 -9.227 1.00 0.02 C ATOM 893 O GLY A 61 35.713 8.330 -9.991 1.00 0.02 O ATOM 0 H GLY A 61 33.312 11.023 -7.857 1.00 0.01 H new ATOM 0 HA2 GLY A 61 33.211 8.807 -8.629 1.00 0.01 H new ATOM 0 HA3 GLY A 61 33.381 9.348 -10.287 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 37.321 9.732 -8.073 1.00 0.02 C ATOM 899 C THR A 62 37.624 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 11.823 -9.304 1.00 0.02 O ATOM 903 CG2 THR A 62 38.352 9.942 -10.435 1.00 0.02 C ATOM 0 H THR A 62 35.450 10.578 -7.696 1.00 0.02 H new ATOM 0 HA THR A 62 37.607 8.693 -8.237 1.00 0.02 H new ATOM 0 HB THR A 62 39.110 10.717 -8.587 1.00 0.02 H new ATOM 0 HG1 THR A 62 38.003 12.361 -9.932 1.00 0.02 H new ATOM 0 HG21 THR A 62 38.935 10.611 -11.068 1.00 0.02 H new ATOM 0 HG22 THR A 62 38.888 9.001 -10.312 1.00 0.02 H new ATOM 0 HG23 THR A 62 37.385 9.751 -10.901 1.00 0.02 H new ATOM 911 N ILE A 63 38.780 9.647 -6.155 1.00 0.01 N ATOM 912 CA ILE A 63 39.110 10.050 -4.779 1.00 0.02 C ATOM 913 C ILE A 63 40.471 10.706 -4.720 1.00 0.02 C ATOM 914 O ILE A 63 41.410 10.253 -5.387 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 8.223 -3.747 1.00 0.02 C ATOM 917 CG2 ILE A 63 39.559 9.105 -2.415 1.00 0.00 C ATOM 918 CD1 ILE A 63 36.690 9.026 -2.893 1.00 0.02 C ATOM 0 H ILE A 63 39.442 9.040 -6.638 1.00 0.01 H new ATOM 0 HA ILE A 63 38.367 10.776 -4.447 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 8.126 -4.753 1.00 0.02 H new ATOM 0 HG13 ILE A 63 37.750 7.216 -3.337 1.00 0.02 H new ATOM 0 HG21 ILE A 63 39.499 8.192 -1.822 1.00 0.00 H new ATOM 0 HG22 ILE A 63 40.592 9.450 -2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 63 38.933 9.874 -1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 63 35.722 8.524 -2.883 1.00 0.02 H new ATOM 0 HD12 ILE A 63 37.071 9.101 -1.874 1.00 0.02 H new ATOM 0 HD13 ILE A 63 36.576 10.026 -3.312 1.00 0.02 H new ATOM 930 N ASP A 64 40.601 11.722 -3.868 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 42.489 12.046 -2.261 1.00 0.02 C ATOM 933 O ASP A 64 41.944 11.357 -1.400 1.00 0.02 O ATOM 934 CB ASP A 64 41.861 13.790 -4.058 1.00 0.01 C ATOM 935 CG ASP A 64 41.136 14.660 -3.032 1.00 0.02 C ATOM 936 OD1 ASP A 64 40.677 14.137 -2.021 1.00 0.01 O ATOM 937 OD2 ASP A 64 41.107 15.881 -3.183 1.00 0.01 O ATOM 0 H ASP A 64 39.844 12.145 -3.331 1.00 0.01 H new ATOM 0 HA ASP A 64 42.636 11.790 -4.312 1.00 0.01 H new ATOM 0 HB2 ASP A 64 42.877 14.164 -4.188 1.00 0.01 H new ATOM 0 HB3 ASP A 64 41.361 13.885 -5.022 1.00 0.01 H new ATOM 942 N PHE A 65 43.638 12.675 -1.982 1.00 0.02 N ATOM 943 CA PHE A 65 44.094 12.582 -0.585 1.00 0.01 C ATOM 944 C PHE A 65 43.173 13.125 0.531 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 -0.442 1.00 0.00 C ATOM 947 CG PHE A 65 45.958 13.270 1.008 1.00 0.02 C ATOM 948 CD1 PHE A 65 46.047 12.169 1.892 1.00 0.01 C ATOM 949 CD2 PHE A 65 46.206 14.586 1.460 1.00 0.00 C ATOM 950 CE1 PHE A 65 46.361 12.391 3.245 1.00 0.02 C ATOM 951 CE2 PHE A 65 46.524 14.809 2.812 1.00 0.02 C ATOM 952 CZ PHE A 65 46.591 13.709 3.694 1.00 0.02 C ATOM 0 H PHE A 65 44.221 13.205 -2.630 1.00 0.02 H new ATOM 0 HA PHE A 65 44.033 11.512 -0.386 1.00 0.01 H new ATOM 0 HB2 PHE A 65 46.227 12.325 -0.896 1.00 0.00 H new ATOM 0 HB3 PHE A 65 45.694 13.992 -0.992 1.00 0.00 H new ATOM 0 HD1 PHE A 65 45.875 11.166 1.531 1.00 0.01 H new ATOM 0 HD2 PHE A 65 46.152 15.416 0.771 1.00 0.00 H new ATOM 0 HE1 PHE A 65 46.425 11.561 3.933 1.00 0.02 H new ATOM 0 HE2 PHE A 65 46.715 15.810 3.171 1.00 0.02 H new ATOM 0 HZ PHE A 65 46.823 13.880 4.735 1.00 0.02 H new ATOM 962 N PRO A 66 42.678 14.395 0.411 1.00 0.02 N ATOM 963 CA PRO A 66 41.698 14.890 1.389 1.00 0.02 C ATOM 964 C PRO A 66 40.528 13.957 1.716 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 41.240 16.227 0.794 1.00 0.02 C ATOM 967 CG PRO A 66 42.356 16.696 -0.134 1.00 0.01 C ATOM 968 CD PRO A 66 43.026 15.409 -0.586 1.00 0.02 C ATOM 0 HA PRO A 66 42.161 14.976 2.372 1.00 0.02 H new ATOM 0 HB2 PRO A 66 40.305 16.107 0.246 1.00 0.02 H new ATOM 0 HB3 PRO A 66 41.057 16.959 1.581 1.00 0.02 H new ATOM 0 HG2 PRO A 66 41.961 17.259 -0.980 1.00 0.01 H new ATOM 0 HG3 PRO A 66 43.057 17.350 0.384 1.00 0.01 H new ATOM 0 HD2 PRO A 66 42.678 15.116 -1.577 1.00 0.02 H new ATOM 0 HD3 PRO A 66 44.107 15.535 -0.652 1.00 0.02 H new ATOM 976 N GLU A 67 39.875 13.491 0.642 1.00 0.02 N ATOM 977 CA GLU A 67 38.728 12.577 0.714 1.00 0.01 C ATOM 978 C GLU A 67 39.130 11.235 1.278 1.00 0.02 C ATOM 979 O GLU A 67 38.457 10.621 2.102 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 40.132 13.742 -0.313 1.00 0.02 H new ATOM 0 HA GLU A 67 38.003 13.051 1.376 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 11.604 -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 10.841 0.895 1.00 0.01 N ATOM 992 CA PHE A 68 40.892 9.641 1.530 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 40.778 8.931 3.845 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 42.877 8.074 1.589 1.00 0.02 C ATOM 997 CD1 PHE A 68 42.340 6.777 1.428 1.00 0.02 C ATOM 998 CD2 PHE A 68 44.014 8.300 2.399 1.00 0.02 C ATOM 999 CE1 PHE A 68 42.953 5.691 2.076 1.00 0.02 C ATOM 1000 CE2 PHE A 68 44.632 7.213 3.042 1.00 0.02 C ATOM 1001 CZ PHE A 68 44.100 5.917 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 40.169 8.841 1.370 1.00 0.02 H new ATOM 0 HB2 PHE A 68 42.069 8.997 -0.161 1.00 0.01 H new ATOM 0 HB3 PHE A 68 42.909 10.100 0.910 1.00 0.01 H new ATOM 0 HD1 PHE A 68 41.466 6.622 0.812 1.00 0.02 H new ATOM 0 HD2 PHE A 68 44.404 9.299 2.523 1.00 0.02 H new ATOM 0 HE1 PHE A 68 42.551 4.694 1.970 1.00 0.02 H new ATOM 0 HE2 PHE A 68 45.503 7.368 3.662 1.00 0.02 H new ATOM 0 HZ PHE A 68 44.582 5.079 3.349 1.00 0.00 H new ATOM 1011 N LEU A 69 41.598 10.964 3.424 1.00 0.02 N ATOM 1012 CA LEU A 69 41.819 11.189 4.864 1.00 0.02 C ATOM 1013 C LEU A 69 40.529 11.244 5.660 1.00 0.02 C ATOM 1014 O LEU A 69 40.410 10.702 6.756 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 43.042 12.709 6.582 1.00 0.01 C ATOM 1017 CD1 LEU A 69 44.458 13.265 6.714 1.00 0.02 C ATOM 1018 CD2 LEU A 69 42.034 13.602 7.318 1.00 0.02 C ATOM 0 H LEU A 69 41.880 11.725 2.807 1.00 0.02 H new ATOM 0 HA LEU A 69 42.369 10.321 5.228 1.00 0.02 H new ATOM 0 HB2 LEU A 69 43.600 12.344 4.536 1.00 0.02 H new ATOM 0 HB3 LEU A 69 42.147 13.307 4.719 1.00 0.02 H new ATOM 0 HG LEU A 69 42.999 11.737 7.073 1.00 0.01 H new ATOM 0 HD11 LEU A 69 44.682 13.444 7.766 1.00 0.02 H new ATOM 0 HD12 LEU A 69 45.170 12.546 6.308 1.00 0.02 H new ATOM 0 HD13 LEU A 69 44.534 14.202 6.162 1.00 0.02 H new ATOM 0 HD21 LEU A 69 42.360 13.746 8.348 1.00 0.02 H new ATOM 0 HD22 LEU A 69 41.972 14.569 6.819 1.00 0.02 H new ATOM 0 HD23 LEU A 69 41.053 13.126 7.311 1.00 0.02 H new ATOM 1030 N THR A 70 39.543 11.906 5.060 1.00 0.02 N ATOM 1031 CA THR A 70 38.223 11.916 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 6.846 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 37.285 12.489 3.547 1.00 0.18 O ATOM 1036 CG2 THR A 70 37.732 14.307 5.028 1.00 0.11 C ATOM 0 H THR A 70 39.620 12.418 4.181 1.00 0.02 H new ATOM 0 HA THR A 70 38.347 12.291 6.711 1.00 0.01 H new ATOM 0 HB THR A 70 36.294 12.741 5.358 1.00 0.13 H new ATOM 0 HG1 THR A 70 37.893 11.734 3.404 1.00 0.18 H new ATOM 0 HG21 THR A 70 37.043 14.938 4.467 1.00 0.11 H new ATOM 0 HG22 THR A 70 37.733 14.613 6.074 1.00 0.11 H new ATOM 0 HG23 THR A 70 38.736 14.412 4.618 1.00 0.11 H new ATOM 1044 N MET A 71 37.868 9.737 4.772 1.00 0.02 N ATOM 1045 CA MET A 71 37.496 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 37.652 6.827 6.747 1.00 0.02 O ATOM 1048 CB MET A 71 37.759 7.695 3.464 1.00 0.28 C ATOM 1049 CG MET A 71 37.601 6.177 3.357 1.00 0.67 C ATOM 1050 SD MET A 71 38.944 5.240 4.101 1.00 1.89 S ATOM 1051 CE MET A 71 38.819 3.821 3.011 1.00 2.60 C ATOM 0 H MET A 71 38.302 10.043 3.901 1.00 0.02 H new ATOM 0 HA MET A 71 36.435 8.234 5.065 1.00 0.02 H new ATOM 0 HB2 MET A 71 37.085 8.158 2.743 1.00 0.28 H new ATOM 0 HB3 MET A 71 38.774 7.953 3.162 1.00 0.28 H new ATOM 0 HG2 MET A 71 36.664 5.886 3.832 1.00 0.67 H new ATOM 0 HG3 MET A 71 37.523 5.905 2.304 1.00 0.67 H new ATOM 0 HE1 MET A 71 39.777 3.301 2.979 1.00 2.60 H new ATOM 0 HE2 MET A 71 38.050 3.143 3.383 1.00 2.60 H new ATOM 0 HE3 MET A 71 38.554 4.155 2.008 1.00 2.60 H new ATOM 1061 N MET A 72 39.507 7.911 6.074 1.00 0.00 N ATOM 1062 CA MET A 72 40.315 7.355 7.165 1.00 0.02 C ATOM 1063 C MET A 72 39.806 7.644 8.556 1.00 0.02 C ATOM 1064 O MET A 72 39.984 6.839 9.459 1.00 0.02 O ATOM 1065 CB MET A 72 41.766 7.809 7.083 1.00 0.02 C ATOM 1066 CG MET A 72 42.498 7.378 5.820 1.00 0.02 C ATOM 1067 SD MET A 72 43.480 5.878 5.969 1.00 0.02 S ATOM 1068 CE MET A 72 42.193 4.637 6.135 1.00 0.02 C ATOM 0 H MET A 72 40.006 8.537 5.442 1.00 0.00 H new ATOM 0 HA MET A 72 40.235 6.279 7.011 1.00 0.02 H new ATOM 0 HB2 MET A 72 41.796 8.896 7.151 1.00 0.02 H new ATOM 0 HB3 MET A 72 42.303 7.421 7.948 1.00 0.02 H new ATOM 0 HG2 MET A 72 41.764 7.234 5.027 1.00 0.02 H new ATOM 0 HG3 MET A 72 43.153 8.191 5.505 1.00 0.02 H new ATOM 0 HE1 MET A 72 42.607 3.652 5.918 1.00 0.02 H new ATOM 0 HE2 MET A 72 41.804 4.651 7.153 1.00 0.02 H new ATOM 0 HE3 MET A 72 41.386 4.854 5.435 1.00 0.02 H new ATOM 1078 N ALA A 73 39.144 8.802 8.679 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 37.399 8.027 10.277 1.00 0.01 C ATOM 1081 O ALA A 73 37.212 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 7.968 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 37.339 10.628 10.899 1.00 0.01 H new ATOM 0 HB2 ALA A 73 38.617 11.201 9.802 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 35.736 6.530 9.330 1.00 0.01 C ATOM 1090 C ARG A 74 36.312 5.160 9.635 1.00 0.00 C ATOM 1091 O ARG A 74 35.622 4.293 10.151 1.00 0.02 O ATOM 1092 CB ARG A 74 34.905 6.450 8.061 1.00 0.02 C ATOM 1093 CG ARG A 74 34.037 7.686 7.860 1.00 0.00 C ATOM 1094 CD ARG A 74 32.802 7.605 8.761 1.00 0.01 C ATOM 1095 NE ARG A 74 31.570 7.751 7.980 1.00 0.00 N ATOM 1096 CZ ARG A 74 31.137 6.799 7.105 1.00 0.01 C ATOM 1097 NH1 ARG A 74 31.759 5.626 6.985 1.00 0.02 N ATOM 1098 NH2 ARG A 74 30.073 7.039 6.345 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 35.134 6.790 10.201 1.00 0.01 H new ATOM 0 HB2 ARG A 74 35.566 6.330 7.203 1.00 0.02 H new ATOM 0 HB3 ARG A 74 34.270 5.565 8.100 1.00 0.02 H new ATOM 0 HG2 ARG A 74 34.609 8.585 8.091 1.00 0.00 H new ATOM 0 HG3 ARG A 74 33.732 7.762 6.816 1.00 0.00 H new ATOM 0 HD2 ARG A 74 32.793 6.650 9.286 1.00 0.01 H new ATOM 0 HD3 ARG A 74 32.850 8.386 9.520 1.00 0.01 H new ATOM 0 HE ARG A 74 31.014 8.599 8.096 1.00 0.00 H new ATOM 0 HH11 ARG A 74 32.580 5.423 7.556 1.00 0.02 H new ATOM 0 HH12 ARG A 74 31.414 4.931 6.323 1.00 0.02 H new ATOM 0 HH21 ARG A 74 29.585 7.932 6.418 1.00 0.01 H new ATOM 0 HH22 ARG A 74 29.745 6.330 5.689 1.00 0.01 H new ATOM 1112 N LYS A 75 37.597 4.999 9.293 1.00 0.00 N ATOM 1113 CA LYS A 75 38.280 3.750 9.651 1.00 0.01 C ATOM 1114 C LYS A 75 38.402 3.556 11.154 1.00 0.02 C ATOM 1115 O LYS A 75 39.356 4.027 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 9.069 1.00 0.01 C ATOM 1118 CD LYS A 75 41.786 2.553 9.898 1.00 0.00 C ATOM 1119 CE LYS A 75 41.612 2.160 11.368 1.00 0.02 C ATOM 1120 NZ LYS A 75 42.812 2.479 12.148 1.00 0.02 N ATOM 0 H LYS A 75 38.163 5.683 8.792 1.00 0.00 H new ATOM 0 HA LYS A 75 37.674 2.919 9.289 1.00 0.01 H new ATOM 0 HB2 LYS A 75 39.523 3.952 7.922 1.00 0.01 H new ATOM 0 HB3 LYS A 75 40.257 4.530 9.405 1.00 0.01 H new ATOM 0 HG2 LYS A 75 39.877 1.644 9.501 1.00 0.01 H new ATOM 0 HG3 LYS A 75 40.758 2.111 8.060 1.00 0.01 H new ATOM 0 HD2 LYS A 75 42.556 1.924 9.451 1.00 0.00 H new ATOM 0 HD3 LYS A 75 42.145 3.581 9.846 1.00 0.00 H new ATOM 0 HE2 LYS A 75 40.753 2.683 11.788 1.00 0.02 H new ATOM 0 HE3 LYS A 75 41.402 1.093 11.439 1.00 0.02 H new ATOM 0 HZ1 LYS A 75 42.665 2.202 13.140 1.00 0.02 H new ATOM 0 HZ2 LYS A 75 43.626 1.961 11.760 1.00 0.02 H new ATOM 0 HZ3 LYS A 75 42.997 3.501 12.098 1.00 0.02 H new ATOM 1134 N MET A 76 37.433 2.825 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 13.430 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 34.529 4.421 13.622 1.00 0.02 S ATOM 1141 CE MET A 76 33.823 5.624 12.489 1.00 0.02 C ATOM 1142 OXT MET A 76 35.862 1.299 14.583 1.00 20.00 O ATOM 0 H MET A 76 36.693 2.389 11.166 1.00 0.02 H new ATOM 0 HA MET A 76 38.195 2.014 13.465 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 36.404 5.838 14.032 1.00 0.02 H new ATOM 0 HG3 MET A 76 36.468 5.134 12.428 1.00 0.02 H new ATOM 0 HE1 MET A 76 32.867 5.973 12.878 1.00 0.02 H new ATOM 0 HE2 MET A 76 34.503 6.470 12.386 1.00 0.02 H new ATOM 0 HE3 MET A 76 33.671 5.160 11.514 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 41.113 -0.015 4.950 1.00 0.00 F HETATM 1156 C2 HLT A 149 40.082 0.623 5.588 1.00 64.50 C HETATM 1157 F2 HLT A 149 39.896 0.064 6.826 1.00 0.00 F HETATM 1158 F3 HLT A 149 40.385 1.953 5.727 1.00 0.00 F HETATM 1159 C1 HLT A 149 38.803 0.472 4.765 1.00 63.73 C HETATM 1160 BR HLT A 149 39.050 1.140 3.128 1.00 0.00 BR HETATM 1161 CL HLT A 149 38.350 -1.249 4.656 1.00 0.00 CL