USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 639 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0824 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0.573 K(o=0.57,f=0) USER MOD Single : A 13 TYR OH : rot 165:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ 180:sc= -0.0342 (180deg=-0.0342) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 11 GLN : amide:sc= -2.23! K(o=-2.2!,f=-0.2) USER MOD Single : B 13 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ 162:sc= 0.0203 (180deg=-0.286) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : C 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 2 TYR OH : rot -143:sc= 0.451 USER MOD Single : C 11 GLN : amide:sc= -4.1! C(o=-4.1!,f=-8.1!) USER MOD Single : C 13 TYR OH : rot 143:sc= -0.0219 USER MOD Single : C 16 LYS NZ :NH3+ 141:sc= -0.0019 (180deg=-0.25) USER MOD Single : C 24 SER OG : rot 180:sc= 0 USER MOD Single : C 25 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 128.332 -4.254 -14.769 1.00 0.00 N ATOM 2 CA GLY A 1 127.291 -4.831 -13.870 1.00 0.00 C ATOM 3 C GLY A 1 127.151 -4.045 -12.576 1.00 0.00 C ATOM 4 O GLY A 1 127.892 -3.094 -12.362 1.00 0.00 O ATOM 0 H1 GLY A 1 127.873 -3.794 -15.581 1.00 0.00 H new ATOM 0 H2 GLY A 1 128.893 -3.552 -14.245 1.00 0.00 H new ATOM 0 H3 GLY A 1 128.957 -5.013 -15.108 1.00 0.00 H new ATOM 0 HA2 GLY A 1 126.333 -4.847 -14.389 1.00 0.00 H new ATOM 0 HA3 GLY A 1 127.545 -5.865 -13.639 1.00 0.00 H new ATOM 10 N TYR A 2 126.201 -4.434 -11.712 1.00 0.00 N ATOM 11 CA TYR A 2 125.985 -3.743 -10.443 1.00 0.00 C ATOM 12 C TYR A 2 125.818 -4.741 -9.289 1.00 0.00 C ATOM 13 O TYR A 2 125.596 -5.930 -9.512 1.00 0.00 O ATOM 14 CB TYR A 2 124.738 -2.866 -10.517 1.00 0.00 C ATOM 15 CG TYR A 2 124.651 -1.917 -11.700 1.00 0.00 C ATOM 16 CD1 TYR A 2 125.679 -1.038 -12.007 1.00 0.00 C ATOM 17 CD2 TYR A 2 123.515 -1.890 -12.496 1.00 0.00 C ATOM 18 CE1 TYR A 2 125.584 -0.165 -13.073 1.00 0.00 C ATOM 19 CE2 TYR A 2 123.409 -1.019 -13.564 1.00 0.00 C ATOM 20 CZ TYR A 2 124.447 -0.160 -13.849 1.00 0.00 C ATOM 21 OH TYR A 2 124.345 0.712 -14.910 1.00 0.00 O ATOM 0 H TYR A 2 125.574 -5.222 -11.873 1.00 0.00 H new ATOM 0 HA TYR A 2 126.863 -3.124 -10.257 1.00 0.00 H new ATOM 0 HB2 TYR A 2 123.863 -3.516 -10.535 1.00 0.00 H new ATOM 0 HB3 TYR A 2 124.679 -2.278 -9.601 1.00 0.00 H new ATOM 0 HD1 TYR A 2 126.572 -1.036 -11.400 1.00 0.00 H new ATOM 0 HD2 TYR A 2 122.698 -2.562 -12.277 1.00 0.00 H new ATOM 0 HE1 TYR A 2 126.397 0.510 -13.296 1.00 0.00 H new ATOM 0 HE2 TYR A 2 122.516 -1.012 -14.172 1.00 0.00 H new ATOM 0 HH TYR A 2 123.481 0.587 -15.355 1.00 0.00 H new ATOM 31 N ILE A 3 125.888 -4.235 -8.056 1.00 0.00 N ATOM 32 CA ILE A 3 125.694 -5.067 -6.860 1.00 0.00 C ATOM 33 C ILE A 3 124.239 -5.045 -6.438 1.00 0.00 C ATOM 34 O ILE A 3 123.516 -4.096 -6.737 1.00 0.00 O ATOM 35 CB ILE A 3 126.462 -4.587 -5.613 1.00 0.00 C ATOM 36 CG1 ILE A 3 126.517 -3.076 -5.555 1.00 0.00 C ATOM 37 CG2 ILE A 3 127.849 -5.179 -5.512 1.00 0.00 C ATOM 38 CD1 ILE A 3 127.394 -2.540 -4.451 1.00 0.00 C ATOM 0 H ILE A 3 126.078 -3.253 -7.856 1.00 0.00 H new ATOM 0 HA ILE A 3 126.057 -6.049 -7.162 1.00 0.00 H new ATOM 0 HB ILE A 3 125.903 -4.949 -4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 3 126.880 -2.698 -6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 3 125.506 -2.690 -5.423 1.00 0.00 H new ATOM 0 HG21 ILE A 3 128.340 -4.804 -4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 3 127.778 -6.265 -5.460 1.00 0.00 H new ATOM 0 HG23 ILE A 3 128.431 -4.895 -6.389 1.00 0.00 H new ATOM 0 HD11 ILE A 3 127.383 -1.450 -4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 3 127.019 -2.887 -3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 3 128.415 -2.895 -4.592 1.00 0.00 H new ATOM 50 N PRO A 4 123.797 -6.055 -5.684 1.00 0.00 N ATOM 51 CA PRO A 4 122.449 -6.090 -5.178 1.00 0.00 C ATOM 52 C PRO A 4 122.330 -5.250 -3.902 1.00 0.00 C ATOM 53 O PRO A 4 123.290 -5.096 -3.153 1.00 0.00 O ATOM 54 CB PRO A 4 122.177 -7.577 -4.932 1.00 0.00 C ATOM 55 CG PRO A 4 123.515 -8.265 -5.004 1.00 0.00 C ATOM 56 CD PRO A 4 124.571 -7.204 -5.226 1.00 0.00 C ATOM 0 HA PRO A 4 121.719 -5.663 -5.866 1.00 0.00 H new ATOM 0 HB2 PRO A 4 121.711 -7.732 -3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 4 121.493 -7.977 -5.680 1.00 0.00 H new ATOM 0 HG2 PRO A 4 123.712 -8.813 -4.083 1.00 0.00 H new ATOM 0 HG3 PRO A 4 123.527 -8.992 -5.816 1.00 0.00 H new ATOM 0 HD2 PRO A 4 125.118 -6.982 -4.310 1.00 0.00 H new ATOM 0 HD3 PRO A 4 125.306 -7.516 -5.968 1.00 0.00 H new ATOM 64 N GLU A 5 121.153 -4.655 -3.714 1.00 0.00 N ATOM 65 CA GLU A 5 120.878 -3.760 -2.594 1.00 0.00 C ATOM 66 C GLU A 5 121.082 -4.407 -1.220 1.00 0.00 C ATOM 67 O GLU A 5 120.763 -5.577 -1.008 1.00 0.00 O ATOM 68 CB GLU A 5 119.453 -3.198 -2.711 1.00 0.00 C ATOM 69 CG GLU A 5 118.958 -2.468 -1.466 1.00 0.00 C ATOM 70 CD GLU A 5 118.742 -0.979 -1.687 1.00 0.00 C ATOM 71 OE1 GLU A 5 117.796 -0.620 -2.418 1.00 0.00 O ATOM 72 OE2 GLU A 5 119.526 -0.169 -1.127 1.00 0.00 O ATOM 0 H GLU A 5 120.358 -4.782 -4.340 1.00 0.00 H new ATOM 0 HA GLU A 5 121.608 -2.953 -2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 5 119.414 -2.513 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 5 118.769 -4.018 -2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 5 118.022 -2.919 -1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 5 119.679 -2.608 -0.661 1.00 0.00 H new ATOM 79 N ALA A 6 121.599 -3.601 -0.289 1.00 0.00 N ATOM 80 CA ALA A 6 121.841 -4.029 1.088 1.00 0.00 C ATOM 81 C ALA A 6 120.593 -3.833 1.961 1.00 0.00 C ATOM 82 O ALA A 6 119.693 -3.070 1.610 1.00 0.00 O ATOM 83 CB ALA A 6 123.023 -3.259 1.666 1.00 0.00 C ATOM 0 H ALA A 6 121.861 -2.632 -0.471 1.00 0.00 H new ATOM 0 HA ALA A 6 122.074 -5.094 1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 6 123.200 -3.581 2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 6 123.912 -3.453 1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 6 122.803 -2.192 1.653 1.00 0.00 H new ATOM 89 N PRO A 7 120.526 -4.530 3.115 1.00 0.00 N ATOM 90 CA PRO A 7 119.386 -4.444 4.050 1.00 0.00 C ATOM 91 C PRO A 7 119.071 -3.017 4.503 1.00 0.00 C ATOM 92 O PRO A 7 119.948 -2.154 4.530 1.00 0.00 O ATOM 93 CB PRO A 7 119.850 -5.269 5.254 1.00 0.00 C ATOM 94 CG PRO A 7 120.873 -6.203 4.710 1.00 0.00 C ATOM 95 CD PRO A 7 121.561 -5.462 3.600 1.00 0.00 C ATOM 0 HA PRO A 7 118.470 -4.798 3.577 1.00 0.00 H new ATOM 0 HB2 PRO A 7 120.272 -4.631 6.031 1.00 0.00 H new ATOM 0 HB3 PRO A 7 119.019 -5.812 5.704 1.00 0.00 H new ATOM 0 HG2 PRO A 7 121.584 -6.496 5.483 1.00 0.00 H new ATOM 0 HG3 PRO A 7 120.409 -7.117 4.340 1.00 0.00 H new ATOM 0 HD2 PRO A 7 122.443 -4.931 3.958 1.00 0.00 H new ATOM 0 HD3 PRO A 7 121.894 -6.138 2.812 1.00 0.00 H new ATOM 103 N ARG A 8 117.808 -2.785 4.868 1.00 0.00 N ATOM 104 CA ARG A 8 117.357 -1.475 5.335 1.00 0.00 C ATOM 105 C ARG A 8 116.988 -1.507 6.814 1.00 0.00 C ATOM 106 O ARG A 8 115.819 -1.650 7.175 1.00 0.00 O ATOM 107 CB ARG A 8 116.180 -1.008 4.515 1.00 0.00 C ATOM 108 CG ARG A 8 116.513 -0.811 3.054 1.00 0.00 C ATOM 109 CD ARG A 8 115.444 0.004 2.362 1.00 0.00 C ATOM 110 NE ARG A 8 114.218 -0.764 2.153 1.00 0.00 N ATOM 111 CZ ARG A 8 114.126 -1.812 1.337 1.00 0.00 C ATOM 112 NH1 ARG A 8 115.177 -2.211 0.633 1.00 0.00 N ATOM 113 NH2 ARG A 8 112.975 -2.461 1.222 1.00 0.00 N ATOM 0 H ARG A 8 117.075 -3.495 4.848 1.00 0.00 H new ATOM 0 HA ARG A 8 118.182 -0.773 5.211 1.00 0.00 H new ATOM 0 HB2 ARG A 8 115.373 -1.736 4.602 1.00 0.00 H new ATOM 0 HB3 ARG A 8 115.809 -0.069 4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 8 117.476 -0.309 2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 8 116.610 -1.780 2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 8 115.220 0.889 2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 8 115.821 0.354 1.401 1.00 0.00 H new ATOM 0 HE ARG A 8 113.382 -0.480 2.663 1.00 0.00 H new ATOM 0 HH11 ARG A 8 116.064 -1.714 0.715 1.00 0.00 H new ATOM 0 HH12 ARG A 8 115.098 -3.015 0.010 1.00 0.00 H new ATOM 0 HH21 ARG A 8 112.162 -2.157 1.758 1.00 0.00 H new ATOM 0 HH22 ARG A 8 112.903 -3.264 0.597 1.00 0.00 H new ATOM 127 N ASP A 9 117.996 -1.375 7.660 1.00 0.00 N ATOM 128 CA ASP A 9 117.805 -1.389 9.109 1.00 0.00 C ATOM 129 C ASP A 9 118.461 -0.181 9.776 1.00 0.00 C ATOM 130 O ASP A 9 118.621 -0.153 10.997 1.00 0.00 O ATOM 131 CB ASP A 9 118.393 -2.662 9.712 1.00 0.00 C ATOM 132 CG ASP A 9 119.835 -2.895 9.303 1.00 0.00 C ATOM 133 OD1 ASP A 9 120.301 -2.227 8.357 1.00 0.00 O ATOM 134 OD2 ASP A 9 120.497 -3.747 9.930 1.00 0.00 O ATOM 0 H ASP A 9 118.966 -1.256 7.369 1.00 0.00 H new ATOM 0 HA ASP A 9 116.731 -1.351 9.291 1.00 0.00 H new ATOM 0 HB2 ASP A 9 118.333 -2.605 10.799 1.00 0.00 H new ATOM 0 HB3 ASP A 9 117.790 -3.516 9.404 1.00 0.00 H new ATOM 139 N GLY A 10 118.842 0.809 8.982 1.00 0.00 N ATOM 140 CA GLY A 10 119.475 1.993 9.539 1.00 0.00 C ATOM 141 C GLY A 10 120.931 1.753 9.859 1.00 0.00 C ATOM 142 O GLY A 10 121.558 2.546 10.558 1.00 0.00 O ATOM 0 H GLY A 10 118.727 0.817 7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 10 119.390 2.818 8.831 1.00 0.00 H new ATOM 0 HA3 GLY A 10 118.949 2.294 10.445 1.00 0.00 H new ATOM 146 N GLN A 11 121.466 0.652 9.349 1.00 0.00 N ATOM 147 CA GLN A 11 122.855 0.306 9.574 1.00 0.00 C ATOM 148 C GLN A 11 123.615 0.324 8.264 1.00 0.00 C ATOM 149 O GLN A 11 123.048 0.069 7.202 1.00 0.00 O ATOM 150 CB GLN A 11 122.975 -1.049 10.249 1.00 0.00 C ATOM 151 CG GLN A 11 121.970 -1.260 11.371 1.00 0.00 C ATOM 152 CD GLN A 11 122.456 -2.249 12.412 1.00 0.00 C ATOM 153 OE1 GLN A 11 123.398 -1.974 13.156 1.00 0.00 O ATOM 154 NE2 GLN A 11 121.813 -3.409 12.469 1.00 0.00 N ATOM 0 H GLN A 11 120.953 -0.017 8.775 1.00 0.00 H new ATOM 0 HA GLN A 11 123.293 1.049 10.241 1.00 0.00 H new ATOM 0 HB2 GLN A 11 122.842 -1.831 9.502 1.00 0.00 H new ATOM 0 HB3 GLN A 11 123.983 -1.158 10.650 1.00 0.00 H new ATOM 0 HG2 GLN A 11 121.763 -0.304 11.852 1.00 0.00 H new ATOM 0 HG3 GLN A 11 121.030 -1.615 10.949 1.00 0.00 H new ATOM 0 HE21 GLN A 11 121.038 -3.594 11.833 1.00 0.00 H new ATOM 0 HE22 GLN A 11 122.094 -4.115 13.149 1.00 0.00 H new ATOM 163 N ALA A 12 124.891 0.665 8.348 1.00 0.00 N ATOM 164 CA ALA A 12 125.736 0.780 7.176 1.00 0.00 C ATOM 165 C ALA A 12 126.438 -0.506 6.843 1.00 0.00 C ATOM 166 O ALA A 12 126.941 -1.221 7.710 1.00 0.00 O ATOM 167 CB ALA A 12 126.756 1.884 7.405 1.00 0.00 C ATOM 0 H ALA A 12 125.366 0.868 9.227 1.00 0.00 H new ATOM 0 HA ALA A 12 125.097 1.021 6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 12 127.395 1.976 6.527 1.00 0.00 H new ATOM 0 HB2 ALA A 12 126.238 2.828 7.578 1.00 0.00 H new ATOM 0 HB3 ALA A 12 127.366 1.641 8.275 1.00 0.00 H new ATOM 173 N TYR A 13 126.466 -0.774 5.555 1.00 0.00 N ATOM 174 CA TYR A 13 127.100 -1.951 5.028 1.00 0.00 C ATOM 175 C TYR A 13 128.218 -1.574 4.111 1.00 0.00 C ATOM 176 O TYR A 13 128.198 -0.530 3.458 1.00 0.00 O ATOM 177 CB TYR A 13 126.121 -2.796 4.245 1.00 0.00 C ATOM 178 CG TYR A 13 125.134 -3.471 5.131 1.00 0.00 C ATOM 179 CD1 TYR A 13 125.529 -4.487 5.966 1.00 0.00 C ATOM 180 CD2 TYR A 13 123.827 -3.074 5.153 1.00 0.00 C ATOM 181 CE1 TYR A 13 124.642 -5.091 6.815 1.00 0.00 C ATOM 182 CE2 TYR A 13 122.917 -3.667 6.001 1.00 0.00 C ATOM 183 CZ TYR A 13 123.332 -4.678 6.839 1.00 0.00 C ATOM 184 OH TYR A 13 122.439 -5.280 7.697 1.00 0.00 O ATOM 0 H TYR A 13 126.046 -0.175 4.845 1.00 0.00 H new ATOM 0 HA TYR A 13 127.478 -2.520 5.877 1.00 0.00 H new ATOM 0 HB2 TYR A 13 125.594 -2.168 3.527 1.00 0.00 H new ATOM 0 HB3 TYR A 13 126.667 -3.546 3.672 1.00 0.00 H new ATOM 0 HD1 TYR A 13 126.558 -4.815 5.952 1.00 0.00 H new ATOM 0 HD2 TYR A 13 123.502 -2.282 4.495 1.00 0.00 H new ATOM 0 HE1 TYR A 13 124.971 -5.889 7.464 1.00 0.00 H new ATOM 0 HE2 TYR A 13 121.887 -3.342 6.008 1.00 0.00 H new ATOM 0 HH TYR A 13 121.630 -4.731 7.766 1.00 0.00 H new ATOM 194 N VAL A 14 129.160 -2.459 4.032 1.00 0.00 N ATOM 195 CA VAL A 14 130.278 -2.293 3.163 1.00 0.00 C ATOM 196 C VAL A 14 130.186 -3.379 2.119 1.00 0.00 C ATOM 197 O VAL A 14 129.499 -4.381 2.326 1.00 0.00 O ATOM 198 CB VAL A 14 131.617 -2.301 3.939 1.00 0.00 C ATOM 199 CG1 VAL A 14 131.493 -2.964 5.301 1.00 0.00 C ATOM 200 CG2 VAL A 14 132.731 -2.954 3.151 1.00 0.00 C ATOM 0 H VAL A 14 129.174 -3.323 4.573 1.00 0.00 H new ATOM 0 HA VAL A 14 130.255 -1.318 2.677 1.00 0.00 H new ATOM 0 HB VAL A 14 131.873 -1.253 4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 14 132.459 -2.944 5.805 1.00 0.00 H new ATOM 0 HG12 VAL A 14 130.759 -2.427 5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 14 131.171 -3.998 5.175 1.00 0.00 H new ATOM 0 HG21 VAL A 14 133.650 -2.936 3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 14 132.463 -3.987 2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 14 132.884 -2.411 2.219 1.00 0.00 H new ATOM 210 N ARG A 15 130.809 -3.168 0.978 1.00 0.00 N ATOM 211 CA ARG A 15 130.698 -4.135 -0.093 1.00 0.00 C ATOM 212 C ARG A 15 131.986 -4.946 -0.253 1.00 0.00 C ATOM 213 O ARG A 15 132.983 -4.478 -0.802 1.00 0.00 O ATOM 214 CB ARG A 15 130.276 -3.411 -1.392 1.00 0.00 C ATOM 215 CG ARG A 15 129.196 -4.087 -2.249 1.00 0.00 C ATOM 216 CD ARG A 15 128.823 -5.483 -1.790 1.00 0.00 C ATOM 217 NE ARG A 15 128.521 -6.405 -2.892 1.00 0.00 N ATOM 218 CZ ARG A 15 127.358 -7.060 -3.022 1.00 0.00 C ATOM 219 NH1 ARG A 15 126.355 -6.822 -2.184 1.00 0.00 N ATOM 220 NH2 ARG A 15 127.177 -7.938 -3.995 1.00 0.00 N ATOM 0 H ARG A 15 131.386 -2.353 0.771 1.00 0.00 H new ATOM 0 HA ARG A 15 129.924 -4.862 0.153 1.00 0.00 H new ATOM 0 HB2 ARG A 15 129.922 -2.415 -1.125 1.00 0.00 H new ATOM 0 HB3 ARG A 15 131.164 -3.278 -2.010 1.00 0.00 H new ATOM 0 HG2 ARG A 15 128.302 -3.464 -2.245 1.00 0.00 H new ATOM 0 HG3 ARG A 15 129.545 -4.137 -3.281 1.00 0.00 H new ATOM 0 HD2 ARG A 15 129.642 -5.893 -1.199 1.00 0.00 H new ATOM 0 HD3 ARG A 15 127.956 -5.420 -1.132 1.00 0.00 H new ATOM 0 HE ARG A 15 129.239 -6.556 -3.601 1.00 0.00 H new ATOM 0 HH11 ARG A 15 126.467 -6.138 -1.436 1.00 0.00 H new ATOM 0 HH12 ARG A 15 125.473 -7.324 -2.289 1.00 0.00 H new ATOM 0 HH21 ARG A 15 127.928 -8.125 -4.660 1.00 0.00 H new ATOM 0 HH22 ARG A 15 126.287 -8.428 -4.081 1.00 0.00 H new ATOM 234 N LYS A 16 131.912 -6.197 0.232 1.00 0.00 N ATOM 235 CA LYS A 16 133.018 -7.155 0.167 1.00 0.00 C ATOM 236 C LYS A 16 132.531 -8.530 -0.274 1.00 0.00 C ATOM 237 O LYS A 16 131.620 -9.090 0.336 1.00 0.00 O ATOM 238 CB LYS A 16 133.709 -7.266 1.533 1.00 0.00 C ATOM 239 CG LYS A 16 134.080 -8.681 1.980 1.00 0.00 C ATOM 240 CD LYS A 16 134.332 -8.712 3.477 1.00 0.00 C ATOM 241 CE LYS A 16 135.276 -9.828 3.883 1.00 0.00 C ATOM 242 NZ LYS A 16 134.951 -10.359 5.237 1.00 0.00 N ATOM 0 H LYS A 16 131.076 -6.570 0.682 1.00 0.00 H new ATOM 0 HA LYS A 16 133.732 -6.788 -0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 16 134.617 -6.663 1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 16 133.055 -6.827 2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 16 133.277 -9.372 1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 16 134.970 -9.016 1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 16 134.748 -7.755 3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 16 133.383 -8.834 4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 16 135.221 -10.635 3.153 1.00 0.00 H new ATOM 0 HE3 LYS A 16 136.302 -9.459 3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 135.617 -11.120 5.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 135.028 -9.594 5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 133.981 -10.734 5.239 1.00 0.00 H new ATOM 256 N ASP A 17 133.165 -9.105 -1.282 1.00 0.00 N ATOM 257 CA ASP A 17 132.811 -10.450 -1.718 1.00 0.00 C ATOM 258 C ASP A 17 131.331 -10.581 -2.064 1.00 0.00 C ATOM 259 O ASP A 17 130.686 -11.564 -1.699 1.00 0.00 O ATOM 260 CB ASP A 17 133.180 -11.450 -0.621 1.00 0.00 C ATOM 261 CG ASP A 17 134.302 -12.384 -1.033 1.00 0.00 C ATOM 262 OD1 ASP A 17 135.309 -11.896 -1.587 1.00 0.00 O ATOM 263 OD2 ASP A 17 134.174 -13.605 -0.798 1.00 0.00 O ATOM 0 H ASP A 17 133.920 -8.669 -1.811 1.00 0.00 H new ATOM 0 HA ASP A 17 133.372 -10.661 -2.629 1.00 0.00 H new ATOM 0 HB2 ASP A 17 133.477 -10.906 0.276 1.00 0.00 H new ATOM 0 HB3 ASP A 17 132.300 -12.038 -0.361 1.00 0.00 H new ATOM 268 N GLY A 18 130.804 -9.616 -2.796 1.00 0.00 N ATOM 269 CA GLY A 18 129.418 -9.660 -3.208 1.00 0.00 C ATOM 270 C GLY A 18 128.408 -9.623 -2.071 1.00 0.00 C ATOM 271 O GLY A 18 127.241 -9.951 -2.286 1.00 0.00 O ATOM 0 H GLY A 18 131.317 -8.794 -3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 18 129.225 -8.818 -3.873 1.00 0.00 H new ATOM 0 HA3 GLY A 18 129.256 -10.568 -3.789 1.00 0.00 H new ATOM 275 N GLU A 19 128.821 -9.236 -0.863 1.00 0.00 N ATOM 276 CA GLU A 19 127.881 -9.189 0.253 1.00 0.00 C ATOM 277 C GLU A 19 127.981 -7.884 1.018 1.00 0.00 C ATOM 278 O GLU A 19 129.003 -7.199 0.974 1.00 0.00 O ATOM 279 CB GLU A 19 128.139 -10.349 1.209 1.00 0.00 C ATOM 280 CG GLU A 19 128.324 -11.684 0.510 1.00 0.00 C ATOM 281 CD GLU A 19 127.957 -12.859 1.396 1.00 0.00 C ATOM 282 OE1 GLU A 19 126.748 -13.109 1.580 1.00 0.00 O ATOM 283 OE2 GLU A 19 128.880 -13.527 1.908 1.00 0.00 O ATOM 0 H GLU A 19 129.776 -8.957 -0.637 1.00 0.00 H new ATOM 0 HA GLU A 19 126.878 -9.267 -0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 19 129.029 -10.131 1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 19 127.305 -10.426 1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 19 127.711 -11.707 -0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 19 129.362 -11.783 0.192 1.00 0.00 H new ATOM 290 N TRP A 20 126.915 -7.556 1.739 1.00 0.00 N ATOM 291 CA TRP A 20 126.891 -6.346 2.532 1.00 0.00 C ATOM 292 C TRP A 20 127.297 -6.649 3.961 1.00 0.00 C ATOM 293 O TRP A 20 126.602 -7.373 4.675 1.00 0.00 O ATOM 294 CB TRP A 20 125.514 -5.680 2.500 1.00 0.00 C ATOM 295 CG TRP A 20 125.213 -5.181 1.132 1.00 0.00 C ATOM 296 CD1 TRP A 20 124.278 -5.623 0.235 1.00 0.00 C ATOM 297 CD2 TRP A 20 125.920 -4.134 0.494 1.00 0.00 C ATOM 298 NE1 TRP A 20 124.372 -4.883 -0.927 1.00 0.00 N ATOM 299 CE2 TRP A 20 125.370 -3.971 -0.781 1.00 0.00 C ATOM 300 CE3 TRP A 20 126.972 -3.312 0.891 1.00 0.00 C ATOM 301 CZ2 TRP A 20 125.833 -3.022 -1.662 1.00 0.00 C ATOM 302 CZ3 TRP A 20 127.433 -2.369 0.013 1.00 0.00 C ATOM 303 CH2 TRP A 20 126.862 -2.232 -1.251 1.00 0.00 C ATOM 0 H TRP A 20 126.062 -8.113 1.787 1.00 0.00 H new ATOM 0 HA TRP A 20 127.607 -5.648 2.098 1.00 0.00 H new ATOM 0 HB2 TRP A 20 124.750 -6.393 2.810 1.00 0.00 H new ATOM 0 HB3 TRP A 20 125.486 -4.854 3.210 1.00 0.00 H new ATOM 0 HD1 TRP A 20 123.576 -6.425 0.409 1.00 0.00 H new ATOM 0 HE1 TRP A 20 123.790 -5.001 -1.756 1.00 0.00 H new ATOM 0 HE3 TRP A 20 127.414 -3.417 1.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 125.396 -2.908 -2.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 128.249 -1.723 0.303 1.00 0.00 H new ATOM 0 HH2 TRP A 20 127.247 -1.479 -1.922 1.00 0.00 H new ATOM 314 N VAL A 21 128.418 -6.084 4.382 1.00 0.00 N ATOM 315 CA VAL A 21 128.896 -6.294 5.737 1.00 0.00 C ATOM 316 C VAL A 21 128.789 -5.022 6.527 1.00 0.00 C ATOM 317 O VAL A 21 129.044 -3.935 6.031 1.00 0.00 O ATOM 318 CB VAL A 21 130.362 -6.750 5.816 1.00 0.00 C ATOM 319 CG1 VAL A 21 130.684 -7.196 7.234 1.00 0.00 C ATOM 320 CG2 VAL A 21 130.694 -7.865 4.836 1.00 0.00 C ATOM 0 H VAL A 21 129.009 -5.481 3.809 1.00 0.00 H new ATOM 0 HA VAL A 21 128.266 -7.086 6.142 1.00 0.00 H new ATOM 0 HB VAL A 21 130.977 -5.894 5.538 1.00 0.00 H new ATOM 0 HG11 VAL A 21 131.724 -7.519 7.287 1.00 0.00 H new ATOM 0 HG12 VAL A 21 130.527 -6.365 7.921 1.00 0.00 H new ATOM 0 HG13 VAL A 21 130.033 -8.025 7.512 1.00 0.00 H new ATOM 0 HG21 VAL A 21 131.743 -8.142 4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 21 130.067 -8.732 5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 21 130.510 -7.521 3.818 1.00 0.00 H new ATOM 330 N LEU A 22 128.414 -5.178 7.764 1.00 0.00 N ATOM 331 CA LEU A 22 128.274 -4.061 8.659 1.00 0.00 C ATOM 332 C LEU A 22 129.567 -3.274 8.777 1.00 0.00 C ATOM 333 O LEU A 22 130.626 -3.814 9.096 1.00 0.00 O ATOM 334 CB LEU A 22 127.810 -4.566 9.999 1.00 0.00 C ATOM 335 CG LEU A 22 126.351 -4.243 10.312 1.00 0.00 C ATOM 336 CD1 LEU A 22 126.083 -4.365 11.788 1.00 0.00 C ATOM 337 CD2 LEU A 22 125.981 -2.849 9.837 1.00 0.00 C ATOM 0 H LEU A 22 128.196 -6.082 8.183 1.00 0.00 H new ATOM 0 HA LEU A 22 127.531 -3.372 8.258 1.00 0.00 H new ATOM 0 HB2 LEU A 22 127.949 -5.647 10.037 1.00 0.00 H new ATOM 0 HB3 LEU A 22 128.442 -4.136 10.777 1.00 0.00 H new ATOM 0 HG LEU A 22 125.734 -4.965 9.777 1.00 0.00 H new ATOM 0 HD11 LEU A 22 125.038 -4.131 11.989 1.00 0.00 H new ATOM 0 HD12 LEU A 22 126.295 -5.383 12.113 1.00 0.00 H new ATOM 0 HD13 LEU A 22 126.722 -3.670 12.332 1.00 0.00 H new ATOM 0 HD21 LEU A 22 124.936 -2.649 10.074 1.00 0.00 H new ATOM 0 HD22 LEU A 22 126.613 -2.115 10.336 1.00 0.00 H new ATOM 0 HD23 LEU A 22 126.128 -2.781 8.759 1.00 0.00 H new ATOM 349 N LEU A 23 129.450 -1.988 8.514 1.00 0.00 N ATOM 350 CA LEU A 23 130.570 -1.065 8.578 1.00 0.00 C ATOM 351 C LEU A 23 131.219 -1.070 9.959 1.00 0.00 C ATOM 352 O LEU A 23 132.433 -0.911 10.083 1.00 0.00 O ATOM 353 CB LEU A 23 130.074 0.337 8.234 1.00 0.00 C ATOM 354 CG LEU A 23 131.011 1.507 8.568 1.00 0.00 C ATOM 355 CD1 LEU A 23 132.432 1.258 8.102 1.00 0.00 C ATOM 356 CD2 LEU A 23 130.489 2.784 7.945 1.00 0.00 C ATOM 0 H LEU A 23 128.569 -1.549 8.248 1.00 0.00 H new ATOM 0 HA LEU A 23 131.327 -1.381 7.860 1.00 0.00 H new ATOM 0 HB2 LEU A 23 129.860 0.368 7.166 1.00 0.00 H new ATOM 0 HB3 LEU A 23 129.130 0.500 8.753 1.00 0.00 H new ATOM 0 HG LEU A 23 131.031 1.603 9.654 1.00 0.00 H new ATOM 0 HD11 LEU A 23 133.055 2.114 8.361 1.00 0.00 H new ATOM 0 HD12 LEU A 23 132.823 0.364 8.588 1.00 0.00 H new ATOM 0 HD13 LEU A 23 132.441 1.117 7.021 1.00 0.00 H new ATOM 0 HD21 LEU A 23 131.160 3.608 8.187 1.00 0.00 H new ATOM 0 HD22 LEU A 23 130.436 2.666 6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 23 129.494 2.999 8.336 1.00 0.00 H new ATOM 368 N SER A 24 130.413 -1.230 11.002 1.00 0.00 N ATOM 369 CA SER A 24 130.930 -1.225 12.362 1.00 0.00 C ATOM 370 C SER A 24 131.873 -2.396 12.595 1.00 0.00 C ATOM 371 O SER A 24 132.706 -2.350 13.500 1.00 0.00 O ATOM 372 CB SER A 24 129.781 -1.274 13.368 1.00 0.00 C ATOM 373 OG SER A 24 128.946 -0.136 13.245 1.00 0.00 O ATOM 0 H SER A 24 129.404 -1.364 10.931 1.00 0.00 H new ATOM 0 HA SER A 24 131.490 -0.300 12.503 1.00 0.00 H new ATOM 0 HB2 SER A 24 129.194 -2.179 13.210 1.00 0.00 H new ATOM 0 HB3 SER A 24 130.182 -1.327 14.380 1.00 0.00 H new ATOM 0 HG SER A 24 128.218 -0.192 13.898 1.00 0.00 H new ATOM 379 N THR A 25 131.781 -3.427 11.762 1.00 0.00 N ATOM 380 CA THR A 25 132.686 -4.556 11.903 1.00 0.00 C ATOM 381 C THR A 25 134.100 -4.121 11.526 1.00 0.00 C ATOM 382 O THR A 25 135.080 -4.797 11.837 1.00 0.00 O ATOM 383 CB THR A 25 132.252 -5.737 11.026 1.00 0.00 C ATOM 384 OG1 THR A 25 131.087 -6.348 11.552 1.00 0.00 O ATOM 385 CG2 THR A 25 133.305 -6.818 10.883 1.00 0.00 C ATOM 0 H THR A 25 131.106 -3.503 11.001 1.00 0.00 H new ATOM 0 HA THR A 25 132.663 -4.887 12.941 1.00 0.00 H new ATOM 0 HB THR A 25 132.072 -5.303 10.042 1.00 0.00 H new ATOM 0 HG1 THR A 25 130.824 -7.098 10.979 1.00 0.00 H new ATOM 0 HG21 THR A 25 132.922 -7.617 10.249 1.00 0.00 H new ATOM 0 HG22 THR A 25 134.202 -6.395 10.431 1.00 0.00 H new ATOM 0 HG23 THR A 25 133.549 -7.220 11.866 1.00 0.00 H new ATOM 393 N PHE A 26 134.180 -2.997 10.812 1.00 0.00 N ATOM 394 CA PHE A 26 135.447 -2.467 10.334 1.00 0.00 C ATOM 395 C PHE A 26 136.019 -1.413 11.250 1.00 0.00 C ATOM 396 O PHE A 26 137.220 -1.195 11.238 1.00 0.00 O ATOM 397 CB PHE A 26 135.273 -1.917 8.914 1.00 0.00 C ATOM 398 CG PHE A 26 135.100 -3.036 7.926 1.00 0.00 C ATOM 399 CD1 PHE A 26 133.839 -3.532 7.642 1.00 0.00 C ATOM 400 CD2 PHE A 26 136.197 -3.633 7.330 1.00 0.00 C ATOM 401 CE1 PHE A 26 133.672 -4.596 6.786 1.00 0.00 C ATOM 402 CE2 PHE A 26 136.037 -4.696 6.460 1.00 0.00 C ATOM 403 CZ PHE A 26 134.772 -5.182 6.189 1.00 0.00 C ATOM 0 H PHE A 26 133.370 -2.435 10.553 1.00 0.00 H new ATOM 0 HA PHE A 26 136.164 -3.288 10.323 1.00 0.00 H new ATOM 0 HB2 PHE A 26 134.406 -1.257 8.878 1.00 0.00 H new ATOM 0 HB3 PHE A 26 136.142 -1.317 8.642 1.00 0.00 H new ATOM 0 HD1 PHE A 26 132.973 -3.077 8.099 1.00 0.00 H new ATOM 0 HD2 PHE A 26 137.189 -3.265 7.547 1.00 0.00 H new ATOM 0 HE1 PHE A 26 132.681 -4.973 6.581 1.00 0.00 H new ATOM 0 HE2 PHE A 26 136.900 -5.146 5.993 1.00 0.00 H new ATOM 0 HZ PHE A 26 134.644 -6.015 5.514 1.00 0.00 H new ATOM 413 N LEU A 27 135.211 -0.783 12.076 1.00 0.00 N ATOM 414 CA LEU A 27 135.731 0.234 12.975 1.00 0.00 C ATOM 415 C LEU A 27 135.789 -0.277 14.409 1.00 0.00 C ATOM 416 O LEU A 27 134.713 -0.536 14.987 1.00 0.00 O ATOM 417 CB LEU A 27 134.863 1.488 12.882 1.00 0.00 C ATOM 418 CG LEU A 27 134.014 1.585 11.610 1.00 0.00 C ATOM 419 CD1 LEU A 27 132.745 2.350 11.875 1.00 0.00 C ATOM 420 CD2 LEU A 27 134.788 2.246 10.482 1.00 0.00 C ATOM 421 OXT LEU A 27 136.910 -0.421 14.939 1.00 0.00 O ATOM 0 H LEU A 27 134.207 -0.950 12.147 1.00 0.00 H new ATOM 0 HA LEU A 27 136.749 0.480 12.674 1.00 0.00 H new ATOM 0 HB2 LEU A 27 134.201 1.521 13.748 1.00 0.00 H new ATOM 0 HB3 LEU A 27 135.508 2.365 12.940 1.00 0.00 H new ATOM 0 HG LEU A 27 133.760 0.570 11.306 1.00 0.00 H new ATOM 0 HD11 LEU A 27 132.157 2.407 10.959 1.00 0.00 H new ATOM 0 HD12 LEU A 27 132.167 1.840 12.646 1.00 0.00 H new ATOM 0 HD13 LEU A 27 132.991 3.357 12.212 1.00 0.00 H new ATOM 0 HD21 LEU A 27 134.160 2.301 9.593 1.00 0.00 H new ATOM 0 HD22 LEU A 27 135.080 3.252 10.782 1.00 0.00 H new ATOM 0 HD23 LEU A 27 135.680 1.660 10.261 1.00 0.00 H new TER 433 LEU A 27 ATOM 434 N GLY B 1 116.164 -5.572 -6.272 1.00 0.00 N ATOM 435 CA GLY B 1 117.201 -6.172 -5.387 1.00 0.00 C ATOM 436 C GLY B 1 118.574 -5.557 -5.575 1.00 0.00 C ATOM 437 O GLY B 1 119.560 -6.072 -5.050 1.00 0.00 O ATOM 0 H1 GLY B 1 115.249 -6.034 -6.097 1.00 0.00 H new ATOM 0 H2 GLY B 1 116.083 -4.555 -6.071 1.00 0.00 H new ATOM 0 H3 GLY B 1 116.436 -5.708 -7.267 1.00 0.00 H new ATOM 0 HA2 GLY B 1 116.896 -6.053 -4.347 1.00 0.00 H new ATOM 0 HA3 GLY B 1 117.260 -7.243 -5.581 1.00 0.00 H new ATOM 443 N TYR B 2 118.646 -4.456 -6.321 1.00 0.00 N ATOM 444 CA TYR B 2 119.917 -3.777 -6.565 1.00 0.00 C ATOM 445 C TYR B 2 119.869 -2.329 -6.065 1.00 0.00 C ATOM 446 O TYR B 2 118.837 -1.667 -6.167 1.00 0.00 O ATOM 447 CB TYR B 2 120.276 -3.818 -8.051 1.00 0.00 C ATOM 448 CG TYR B 2 121.052 -5.049 -8.472 1.00 0.00 C ATOM 449 CD1 TYR B 2 120.688 -6.317 -8.033 1.00 0.00 C ATOM 450 CD2 TYR B 2 122.149 -4.940 -9.313 1.00 0.00 C ATOM 451 CE1 TYR B 2 121.398 -7.438 -8.420 1.00 0.00 C ATOM 452 CE2 TYR B 2 122.864 -6.056 -9.705 1.00 0.00 C ATOM 453 CZ TYR B 2 122.485 -7.303 -9.254 1.00 0.00 C ATOM 454 OH TYR B 2 123.196 -8.417 -9.637 1.00 0.00 O ATOM 0 H TYR B 2 117.841 -4.016 -6.766 1.00 0.00 H new ATOM 0 HA TYR B 2 120.692 -4.304 -6.008 1.00 0.00 H new ATOM 0 HB2 TYR B 2 119.358 -3.764 -8.636 1.00 0.00 H new ATOM 0 HB3 TYR B 2 120.862 -2.932 -8.296 1.00 0.00 H new ATOM 0 HD1 TYR B 2 119.836 -6.428 -7.379 1.00 0.00 H new ATOM 0 HD2 TYR B 2 122.450 -3.966 -9.668 1.00 0.00 H new ATOM 0 HE1 TYR B 2 121.101 -8.416 -8.070 1.00 0.00 H new ATOM 0 HE2 TYR B 2 123.715 -5.952 -10.361 1.00 0.00 H new ATOM 0 HH TYR B 2 123.931 -8.149 -10.227 1.00 0.00 H new ATOM 464 N ILE B 3 120.989 -1.840 -5.526 1.00 0.00 N ATOM 465 CA ILE B 3 121.059 -0.463 -5.021 1.00 0.00 C ATOM 466 C ILE B 3 121.430 0.522 -6.108 1.00 0.00 C ATOM 467 O ILE B 3 122.049 0.158 -7.108 1.00 0.00 O ATOM 468 CB ILE B 3 122.115 -0.252 -3.929 1.00 0.00 C ATOM 469 CG1 ILE B 3 123.404 -0.971 -4.267 1.00 0.00 C ATOM 470 CG2 ILE B 3 121.623 -0.665 -2.565 1.00 0.00 C ATOM 471 CD1 ILE B 3 124.478 -0.778 -3.228 1.00 0.00 C ATOM 0 H ILE B 3 121.854 -2.371 -5.428 1.00 0.00 H new ATOM 0 HA ILE B 3 120.058 -0.294 -4.625 1.00 0.00 H new ATOM 0 HB ILE B 3 122.313 0.819 -3.892 1.00 0.00 H new ATOM 0 HG12 ILE B 3 123.201 -2.036 -4.377 1.00 0.00 H new ATOM 0 HG13 ILE B 3 123.770 -0.615 -5.230 1.00 0.00 H new ATOM 0 HG21 ILE B 3 122.408 -0.495 -1.828 1.00 0.00 H new ATOM 0 HG22 ILE B 3 120.745 -0.076 -2.301 1.00 0.00 H new ATOM 0 HG23 ILE B 3 121.360 -1.723 -2.578 1.00 0.00 H new ATOM 0 HD11 ILE B 3 125.376 -1.318 -3.528 1.00 0.00 H new ATOM 0 HD12 ILE B 3 124.707 0.284 -3.134 1.00 0.00 H new ATOM 0 HD13 ILE B 3 124.129 -1.160 -2.269 1.00 0.00 H new ATOM 483 N PRO B 4 121.095 1.803 -5.903 1.00 0.00 N ATOM 484 CA PRO B 4 121.431 2.848 -6.833 1.00 0.00 C ATOM 485 C PRO B 4 122.776 3.498 -6.492 1.00 0.00 C ATOM 486 O PRO B 4 123.232 3.471 -5.349 1.00 0.00 O ATOM 487 CB PRO B 4 120.272 3.821 -6.674 1.00 0.00 C ATOM 488 CG PRO B 4 119.856 3.680 -5.237 1.00 0.00 C ATOM 489 CD PRO B 4 120.389 2.349 -4.738 1.00 0.00 C ATOM 0 HA PRO B 4 121.554 2.493 -7.856 1.00 0.00 H new ATOM 0 HB2 PRO B 4 120.578 4.843 -6.900 1.00 0.00 H new ATOM 0 HB3 PRO B 4 119.453 3.576 -7.350 1.00 0.00 H new ATOM 0 HG2 PRO B 4 120.254 4.501 -4.640 1.00 0.00 H new ATOM 0 HG3 PRO B 4 118.770 3.717 -5.146 1.00 0.00 H new ATOM 0 HD2 PRO B 4 121.058 2.478 -3.888 1.00 0.00 H new ATOM 0 HD3 PRO B 4 119.583 1.691 -4.412 1.00 0.00 H new ATOM 497 N GLU B 5 123.414 4.031 -7.525 1.00 0.00 N ATOM 498 CA GLU B 5 124.732 4.651 -7.429 1.00 0.00 C ATOM 499 C GLU B 5 124.793 5.821 -6.436 1.00 0.00 C ATOM 500 O GLU B 5 123.853 6.607 -6.312 1.00 0.00 O ATOM 501 CB GLU B 5 125.180 5.109 -8.826 1.00 0.00 C ATOM 502 CG GLU B 5 126.358 6.078 -8.837 1.00 0.00 C ATOM 503 CD GLU B 5 127.658 5.426 -9.265 1.00 0.00 C ATOM 504 OE1 GLU B 5 127.750 4.995 -10.434 1.00 0.00 O ATOM 505 OE2 GLU B 5 128.587 5.347 -8.424 1.00 0.00 O ATOM 0 H GLU B 5 123.026 4.046 -8.468 1.00 0.00 H new ATOM 0 HA GLU B 5 125.413 3.895 -7.038 1.00 0.00 H new ATOM 0 HB2 GLU B 5 125.446 4.230 -9.413 1.00 0.00 H new ATOM 0 HB3 GLU B 5 124.335 5.582 -9.326 1.00 0.00 H new ATOM 0 HG2 GLU B 5 126.134 6.906 -9.510 1.00 0.00 H new ATOM 0 HG3 GLU B 5 126.482 6.502 -7.841 1.00 0.00 H new ATOM 512 N ALA B 6 125.935 5.921 -5.748 1.00 0.00 N ATOM 513 CA ALA B 6 126.186 6.983 -4.770 1.00 0.00 C ATOM 514 C ALA B 6 126.765 8.245 -5.433 1.00 0.00 C ATOM 515 O ALA B 6 127.113 8.234 -6.613 1.00 0.00 O ATOM 516 CB ALA B 6 127.133 6.473 -3.693 1.00 0.00 C ATOM 0 H ALA B 6 126.711 5.268 -5.854 1.00 0.00 H new ATOM 0 HA ALA B 6 125.233 7.259 -4.320 1.00 0.00 H new ATOM 0 HB1 ALA B 6 127.318 7.265 -2.967 1.00 0.00 H new ATOM 0 HB2 ALA B 6 126.684 5.617 -3.190 1.00 0.00 H new ATOM 0 HB3 ALA B 6 128.076 6.172 -4.150 1.00 0.00 H new ATOM 522 N PRO B 7 126.873 9.356 -4.668 1.00 0.00 N ATOM 523 CA PRO B 7 127.408 10.639 -5.167 1.00 0.00 C ATOM 524 C PRO B 7 128.883 10.557 -5.569 1.00 0.00 C ATOM 525 O PRO B 7 129.636 9.744 -5.033 1.00 0.00 O ATOM 526 CB PRO B 7 127.249 11.597 -3.976 1.00 0.00 C ATOM 527 CG PRO B 7 126.317 10.919 -3.028 1.00 0.00 C ATOM 528 CD PRO B 7 126.481 9.444 -3.254 1.00 0.00 C ATOM 0 HA PRO B 7 126.881 10.955 -6.067 1.00 0.00 H new ATOM 0 HB2 PRO B 7 128.211 11.796 -3.503 1.00 0.00 H new ATOM 0 HB3 PRO B 7 126.848 12.558 -4.298 1.00 0.00 H new ATOM 0 HG2 PRO B 7 126.553 11.182 -1.997 1.00 0.00 H new ATOM 0 HG3 PRO B 7 125.287 11.227 -3.209 1.00 0.00 H new ATOM 0 HD2 PRO B 7 127.242 9.020 -2.599 1.00 0.00 H new ATOM 0 HD3 PRO B 7 125.555 8.903 -3.060 1.00 0.00 H new ATOM 536 N ARG B 8 129.291 11.403 -6.519 1.00 0.00 N ATOM 537 CA ARG B 8 130.674 11.422 -6.995 1.00 0.00 C ATOM 538 C ARG B 8 131.402 12.701 -6.600 1.00 0.00 C ATOM 539 O ARG B 8 132.050 13.342 -7.428 1.00 0.00 O ATOM 540 CB ARG B 8 130.718 11.263 -8.499 1.00 0.00 C ATOM 541 CG ARG B 8 130.788 9.821 -8.960 1.00 0.00 C ATOM 542 CD ARG B 8 129.406 9.210 -9.064 1.00 0.00 C ATOM 543 NE ARG B 8 129.388 8.041 -9.937 1.00 0.00 N ATOM 544 CZ ARG B 8 129.529 8.097 -11.259 1.00 0.00 C ATOM 545 NH1 ARG B 8 129.727 9.260 -11.866 1.00 0.00 N ATOM 546 NH2 ARG B 8 129.480 6.983 -11.977 1.00 0.00 N ATOM 0 H ARG B 8 128.682 12.084 -6.973 1.00 0.00 H new ATOM 0 HA ARG B 8 131.184 10.584 -6.519 1.00 0.00 H new ATOM 0 HB2 ARG B 8 129.833 11.730 -8.930 1.00 0.00 H new ATOM 0 HB3 ARG B 8 131.583 11.801 -8.887 1.00 0.00 H new ATOM 0 HG2 ARG B 8 131.284 9.770 -9.929 1.00 0.00 H new ATOM 0 HG3 ARG B 8 131.392 9.242 -8.261 1.00 0.00 H new ATOM 0 HD2 ARG B 8 129.060 8.925 -8.070 1.00 0.00 H new ATOM 0 HD3 ARG B 8 128.708 9.956 -9.443 1.00 0.00 H new ATOM 0 HE ARG B 8 129.259 7.125 -9.508 1.00 0.00 H new ATOM 0 HH11 ARG B 8 129.772 10.120 -11.319 1.00 0.00 H new ATOM 0 HH12 ARG B 8 129.834 9.294 -12.880 1.00 0.00 H new ATOM 0 HH21 ARG B 8 129.334 6.085 -11.516 1.00 0.00 H new ATOM 0 HH22 ARG B 8 129.588 7.024 -12.990 1.00 0.00 H new ATOM 560 N ASP B 9 131.319 13.056 -5.334 1.00 0.00 N ATOM 561 CA ASP B 9 131.999 14.243 -4.838 1.00 0.00 C ATOM 562 C ASP B 9 133.302 13.859 -4.137 1.00 0.00 C ATOM 563 O ASP B 9 133.884 14.663 -3.409 1.00 0.00 O ATOM 564 CB ASP B 9 131.120 15.017 -3.855 1.00 0.00 C ATOM 565 CG ASP B 9 130.652 14.168 -2.690 1.00 0.00 C ATOM 566 OD1 ASP B 9 130.707 12.925 -2.800 1.00 0.00 O ATOM 567 OD2 ASP B 9 130.226 14.747 -1.670 1.00 0.00 O ATOM 0 H ASP B 9 130.790 12.543 -4.629 1.00 0.00 H new ATOM 0 HA ASP B 9 132.214 14.877 -5.698 1.00 0.00 H new ATOM 0 HB2 ASP B 9 131.676 15.873 -3.474 1.00 0.00 H new ATOM 0 HB3 ASP B 9 130.252 15.411 -4.383 1.00 0.00 H new ATOM 572 N GLY B 10 133.749 12.626 -4.353 1.00 0.00 N ATOM 573 CA GLY B 10 134.972 12.160 -3.726 1.00 0.00 C ATOM 574 C GLY B 10 134.755 11.749 -2.290 1.00 0.00 C ATOM 575 O GLY B 10 135.716 11.595 -1.535 1.00 0.00 O ATOM 0 H GLY B 10 133.286 11.941 -4.951 1.00 0.00 H new ATOM 0 HA2 GLY B 10 135.367 11.314 -4.289 1.00 0.00 H new ATOM 0 HA3 GLY B 10 135.723 12.949 -3.767 1.00 0.00 H new ATOM 579 N GLN B 11 133.493 11.568 -1.900 1.00 0.00 N ATOM 580 CA GLN B 11 133.186 11.161 -0.540 1.00 0.00 C ATOM 581 C GLN B 11 132.826 9.690 -0.519 1.00 0.00 C ATOM 582 O GLN B 11 132.263 9.171 -1.483 1.00 0.00 O ATOM 583 CB GLN B 11 132.063 11.986 0.038 1.00 0.00 C ATOM 584 CG GLN B 11 132.318 13.479 -0.024 1.00 0.00 C ATOM 585 CD GLN B 11 133.199 13.980 1.102 1.00 0.00 C ATOM 586 OE1 GLN B 11 132.789 14.814 1.908 1.00 0.00 O ATOM 587 NE2 GLN B 11 134.413 13.471 1.154 1.00 0.00 N ATOM 0 H GLN B 11 132.680 11.696 -2.502 1.00 0.00 H new ATOM 0 HA GLN B 11 134.069 11.326 0.078 1.00 0.00 H new ATOM 0 HB2 GLN B 11 131.142 11.760 -0.500 1.00 0.00 H new ATOM 0 HB3 GLN B 11 131.906 11.695 1.077 1.00 0.00 H new ATOM 0 HG2 GLN B 11 132.785 13.722 -0.978 1.00 0.00 H new ATOM 0 HG3 GLN B 11 131.364 14.006 0.007 1.00 0.00 H new ATOM 0 HE21 GLN B 11 134.707 12.781 0.462 1.00 0.00 H new ATOM 0 HE22 GLN B 11 135.059 13.766 1.886 1.00 0.00 H new ATOM 596 N ALA B 12 133.167 9.006 0.562 1.00 0.00 N ATOM 597 CA ALA B 12 132.897 7.586 0.675 1.00 0.00 C ATOM 598 C ALA B 12 131.602 7.306 1.379 1.00 0.00 C ATOM 599 O ALA B 12 131.282 7.893 2.406 1.00 0.00 O ATOM 600 CB ALA B 12 134.066 6.876 1.339 1.00 0.00 C ATOM 0 H ALA B 12 133.632 9.414 1.373 1.00 0.00 H new ATOM 0 HA ALA B 12 132.785 7.189 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA B 12 133.848 5.811 1.417 1.00 0.00 H new ATOM 0 HB2 ALA B 12 134.966 7.020 0.741 1.00 0.00 H new ATOM 0 HB3 ALA B 12 134.223 7.288 2.336 1.00 0.00 H new ATOM 606 N TYR B 13 130.843 6.407 0.783 1.00 0.00 N ATOM 607 CA TYR B 13 129.555 6.043 1.296 1.00 0.00 C ATOM 608 C TYR B 13 129.458 4.583 1.606 1.00 0.00 C ATOM 609 O TYR B 13 130.112 3.725 1.015 1.00 0.00 O ATOM 610 CB TYR B 13 128.484 6.394 0.297 1.00 0.00 C ATOM 611 CG TYR B 13 128.292 7.868 0.193 1.00 0.00 C ATOM 612 CD1 TYR B 13 127.590 8.530 1.159 1.00 0.00 C ATOM 613 CD2 TYR B 13 128.849 8.592 -0.826 1.00 0.00 C ATOM 614 CE1 TYR B 13 127.431 9.884 1.127 1.00 0.00 C ATOM 615 CE2 TYR B 13 128.709 9.964 -0.877 1.00 0.00 C ATOM 616 CZ TYR B 13 127.996 10.610 0.108 1.00 0.00 C ATOM 617 OH TYR B 13 127.851 11.978 0.072 1.00 0.00 O ATOM 0 H TYR B 13 131.110 5.914 -0.069 1.00 0.00 H new ATOM 0 HA TYR B 13 129.415 6.600 2.223 1.00 0.00 H new ATOM 0 HB2 TYR B 13 128.751 5.992 -0.680 1.00 0.00 H new ATOM 0 HB3 TYR B 13 127.545 5.924 0.589 1.00 0.00 H new ATOM 0 HD1 TYR B 13 127.150 7.967 1.969 1.00 0.00 H new ATOM 0 HD2 TYR B 13 129.405 8.083 -1.600 1.00 0.00 H new ATOM 0 HE1 TYR B 13 126.864 10.382 1.899 1.00 0.00 H new ATOM 0 HE2 TYR B 13 129.155 10.527 -1.683 1.00 0.00 H new ATOM 0 HH TYR B 13 128.313 12.335 -0.715 1.00 0.00 H new ATOM 627 N VAL B 14 128.596 4.348 2.533 1.00 0.00 N ATOM 628 CA VAL B 14 128.268 3.052 3.027 1.00 0.00 C ATOM 629 C VAL B 14 126.837 2.793 2.618 1.00 0.00 C ATOM 630 O VAL B 14 126.099 3.742 2.351 1.00 0.00 O ATOM 631 CB VAL B 14 128.384 3.072 4.554 1.00 0.00 C ATOM 632 CG1 VAL B 14 129.265 1.963 5.102 1.00 0.00 C ATOM 633 CG2 VAL B 14 128.888 4.437 5.016 1.00 0.00 C ATOM 0 H VAL B 14 128.072 5.093 2.993 1.00 0.00 H new ATOM 0 HA VAL B 14 128.929 2.278 2.636 1.00 0.00 H new ATOM 0 HB VAL B 14 127.386 2.892 4.953 1.00 0.00 H new ATOM 0 HG11 VAL B 14 129.305 2.034 6.189 1.00 0.00 H new ATOM 0 HG12 VAL B 14 128.852 0.996 4.816 1.00 0.00 H new ATOM 0 HG13 VAL B 14 130.271 2.063 4.695 1.00 0.00 H new ATOM 0 HG21 VAL B 14 128.969 4.446 6.103 1.00 0.00 H new ATOM 0 HG22 VAL B 14 129.867 4.631 4.578 1.00 0.00 H new ATOM 0 HG23 VAL B 14 128.189 5.210 4.698 1.00 0.00 H new ATOM 643 N ARG B 15 126.419 1.546 2.549 1.00 0.00 N ATOM 644 CA ARG B 15 125.058 1.289 2.140 1.00 0.00 C ATOM 645 C ARG B 15 124.240 0.917 3.367 1.00 0.00 C ATOM 646 O ARG B 15 124.375 -0.162 3.944 1.00 0.00 O ATOM 647 CB ARG B 15 125.035 0.197 1.054 1.00 0.00 C ATOM 648 CG ARG B 15 124.039 0.375 -0.093 1.00 0.00 C ATOM 649 CD ARG B 15 123.139 1.590 0.078 1.00 0.00 C ATOM 650 NE ARG B 15 121.805 1.401 -0.499 1.00 0.00 N ATOM 651 CZ ARG B 15 121.248 2.233 -1.386 1.00 0.00 C ATOM 652 NH1 ARG B 15 121.927 3.282 -1.839 1.00 0.00 N ATOM 653 NH2 ARG B 15 120.022 2.023 -1.838 1.00 0.00 N ATOM 0 H ARG B 15 126.981 0.722 2.763 1.00 0.00 H new ATOM 0 HA ARG B 15 124.611 2.179 1.698 1.00 0.00 H new ATOM 0 HB2 ARG B 15 126.035 0.125 0.626 1.00 0.00 H new ATOM 0 HB3 ARG B 15 124.826 -0.757 1.538 1.00 0.00 H new ATOM 0 HG2 ARG B 15 124.587 0.466 -1.031 1.00 0.00 H new ATOM 0 HG3 ARG B 15 123.421 -0.519 -0.171 1.00 0.00 H new ATOM 0 HD2 ARG B 15 123.041 1.816 1.140 1.00 0.00 H new ATOM 0 HD3 ARG B 15 123.612 2.454 -0.389 1.00 0.00 H new ATOM 0 HE ARG B 15 121.268 0.585 -0.206 1.00 0.00 H new ATOM 0 HH11 ARG B 15 122.877 3.455 -1.510 1.00 0.00 H new ATOM 0 HH12 ARG B 15 121.498 3.914 -2.515 1.00 0.00 H new ATOM 0 HH21 ARG B 15 119.488 1.218 -1.510 1.00 0.00 H new ATOM 0 HH22 ARG B 15 119.611 2.666 -2.514 1.00 0.00 H new ATOM 667 N LYS B 16 123.395 1.878 3.749 1.00 0.00 N ATOM 668 CA LYS B 16 122.523 1.765 4.907 1.00 0.00 C ATOM 669 C LYS B 16 121.125 2.279 4.602 1.00 0.00 C ATOM 670 O LYS B 16 120.967 3.433 4.210 1.00 0.00 O ATOM 671 CB LYS B 16 123.148 2.548 6.068 1.00 0.00 C ATOM 672 CG LYS B 16 122.217 3.469 6.852 1.00 0.00 C ATOM 673 CD LYS B 16 123.037 4.531 7.574 1.00 0.00 C ATOM 674 CE LYS B 16 122.721 4.610 9.053 1.00 0.00 C ATOM 675 NZ LYS B 16 123.741 5.386 9.805 1.00 0.00 N ATOM 0 H LYS B 16 123.301 2.764 3.253 1.00 0.00 H new ATOM 0 HA LYS B 16 122.423 0.714 5.179 1.00 0.00 H new ATOM 0 HB2 LYS B 16 123.585 1.833 6.765 1.00 0.00 H new ATOM 0 HB3 LYS B 16 123.967 3.149 5.672 1.00 0.00 H new ATOM 0 HG2 LYS B 16 121.504 3.942 6.177 1.00 0.00 H new ATOM 0 HG3 LYS B 16 121.638 2.890 7.572 1.00 0.00 H new ATOM 0 HD2 LYS B 16 124.098 4.315 7.445 1.00 0.00 H new ATOM 0 HD3 LYS B 16 122.851 5.502 7.115 1.00 0.00 H new ATOM 0 HE2 LYS B 16 121.743 5.071 9.190 1.00 0.00 H new ATOM 0 HE3 LYS B 16 122.658 3.602 9.464 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 123.349 5.675 10.724 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 124.583 4.796 9.958 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 124.005 6.232 9.260 1.00 0.00 H new ATOM 689 N ASP B 17 120.110 1.468 4.827 1.00 0.00 N ATOM 690 CA ASP B 17 118.742 1.922 4.624 1.00 0.00 C ATOM 691 C ASP B 17 118.506 2.472 3.218 1.00 0.00 C ATOM 692 O ASP B 17 117.857 3.505 3.049 1.00 0.00 O ATOM 693 CB ASP B 17 118.408 2.993 5.664 1.00 0.00 C ATOM 694 CG ASP B 17 117.298 2.563 6.601 1.00 0.00 C ATOM 695 OD1 ASP B 17 117.290 1.381 7.005 1.00 0.00 O ATOM 696 OD2 ASP B 17 116.439 3.407 6.932 1.00 0.00 O ATOM 0 H ASP B 17 120.200 0.503 5.146 1.00 0.00 H new ATOM 0 HA ASP B 17 118.087 1.058 4.740 1.00 0.00 H new ATOM 0 HB2 ASP B 17 119.301 3.222 6.245 1.00 0.00 H new ATOM 0 HB3 ASP B 17 118.114 3.911 5.155 1.00 0.00 H new ATOM 701 N GLY B 18 118.997 1.768 2.211 1.00 0.00 N ATOM 702 CA GLY B 18 118.796 2.181 0.837 1.00 0.00 C ATOM 703 C GLY B 18 119.402 3.531 0.469 1.00 0.00 C ATOM 704 O GLY B 18 119.036 4.097 -0.561 1.00 0.00 O ATOM 0 H GLY B 18 119.536 0.909 2.322 1.00 0.00 H new ATOM 0 HA2 GLY B 18 119.218 1.420 0.180 1.00 0.00 H new ATOM 0 HA3 GLY B 18 117.725 2.215 0.638 1.00 0.00 H new ATOM 708 N GLU B 19 120.315 4.063 1.280 1.00 0.00 N ATOM 709 CA GLU B 19 120.918 5.353 0.961 1.00 0.00 C ATOM 710 C GLU B 19 122.419 5.329 1.155 1.00 0.00 C ATOM 711 O GLU B 19 122.951 4.474 1.864 1.00 0.00 O ATOM 712 CB GLU B 19 120.323 6.459 1.833 1.00 0.00 C ATOM 713 CG GLU B 19 119.477 5.964 2.995 1.00 0.00 C ATOM 714 CD GLU B 19 119.190 7.057 4.006 1.00 0.00 C ATOM 715 OE1 GLU B 19 118.651 8.110 3.605 1.00 0.00 O ATOM 716 OE2 GLU B 19 119.507 6.860 5.198 1.00 0.00 O ATOM 0 H GLU B 19 120.647 3.632 2.143 1.00 0.00 H new ATOM 0 HA GLU B 19 120.702 5.555 -0.088 1.00 0.00 H new ATOM 0 HB2 GLU B 19 121.136 7.070 2.227 1.00 0.00 H new ATOM 0 HB3 GLU B 19 119.711 7.108 1.206 1.00 0.00 H new ATOM 0 HG2 GLU B 19 118.535 5.569 2.613 1.00 0.00 H new ATOM 0 HG3 GLU B 19 119.991 5.140 3.490 1.00 0.00 H new ATOM 723 N TRP B 20 123.102 6.291 0.543 1.00 0.00 N ATOM 724 CA TRP B 20 124.538 6.380 0.687 1.00 0.00 C ATOM 725 C TRP B 20 124.901 7.381 1.758 1.00 0.00 C ATOM 726 O TRP B 20 124.700 8.587 1.607 1.00 0.00 O ATOM 727 CB TRP B 20 125.247 6.696 -0.634 1.00 0.00 C ATOM 728 CG TRP B 20 125.158 5.532 -1.567 1.00 0.00 C ATOM 729 CD1 TRP B 20 124.473 5.429 -2.748 1.00 0.00 C ATOM 730 CD2 TRP B 20 125.770 4.265 -1.347 1.00 0.00 C ATOM 731 NE1 TRP B 20 124.636 4.161 -3.271 1.00 0.00 N ATOM 732 CE2 TRP B 20 125.431 3.439 -2.425 1.00 0.00 C ATOM 733 CE3 TRP B 20 126.583 3.753 -0.334 1.00 0.00 C ATOM 734 CZ2 TRP B 20 125.874 2.132 -2.516 1.00 0.00 C ATOM 735 CZ3 TRP B 20 127.019 2.455 -0.426 1.00 0.00 C ATOM 736 CH2 TRP B 20 126.665 1.656 -1.512 1.00 0.00 C ATOM 0 H TRP B 20 122.684 7.009 -0.049 1.00 0.00 H new ATOM 0 HA TRP B 20 124.891 5.396 0.995 1.00 0.00 H new ATOM 0 HB2 TRP B 20 124.795 7.574 -1.095 1.00 0.00 H new ATOM 0 HB3 TRP B 20 126.293 6.938 -0.444 1.00 0.00 H new ATOM 0 HD1 TRP B 20 123.893 6.219 -3.202 1.00 0.00 H new ATOM 0 HE1 TRP B 20 124.231 3.820 -4.143 1.00 0.00 H new ATOM 0 HE3 TRP B 20 126.864 4.368 0.508 1.00 0.00 H new ATOM 0 HZ2 TRP B 20 125.602 1.508 -3.355 1.00 0.00 H new ATOM 0 HZ3 TRP B 20 127.645 2.047 0.354 1.00 0.00 H new ATOM 0 HH2 TRP B 20 127.025 0.639 -1.559 1.00 0.00 H new ATOM 747 N VAL B 21 125.459 6.860 2.836 1.00 0.00 N ATOM 748 CA VAL B 21 125.887 7.683 3.950 1.00 0.00 C ATOM 749 C VAL B 21 127.370 7.683 4.008 1.00 0.00 C ATOM 750 O VAL B 21 128.037 6.769 3.540 1.00 0.00 O ATOM 751 CB VAL B 21 125.330 7.197 5.290 1.00 0.00 C ATOM 752 CG1 VAL B 21 126.387 6.706 6.224 1.00 0.00 C ATOM 753 CG2 VAL B 21 124.464 8.243 5.975 1.00 0.00 C ATOM 0 H VAL B 21 125.627 5.862 2.963 1.00 0.00 H new ATOM 0 HA VAL B 21 125.501 8.689 3.784 1.00 0.00 H new ATOM 0 HB VAL B 21 124.698 6.346 5.038 1.00 0.00 H new ATOM 0 HG11 VAL B 21 125.925 6.376 7.155 1.00 0.00 H new ATOM 0 HG12 VAL B 21 126.918 5.871 5.766 1.00 0.00 H new ATOM 0 HG13 VAL B 21 127.090 7.512 6.433 1.00 0.00 H new ATOM 0 HG21 VAL B 21 124.095 7.847 6.921 1.00 0.00 H new ATOM 0 HG22 VAL B 21 125.056 9.139 6.163 1.00 0.00 H new ATOM 0 HG23 VAL B 21 123.620 8.494 5.333 1.00 0.00 H new ATOM 763 N LEU B 22 127.860 8.735 4.550 1.00 0.00 N ATOM 764 CA LEU B 22 129.270 8.930 4.655 1.00 0.00 C ATOM 765 C LEU B 22 129.982 7.974 5.611 1.00 0.00 C ATOM 766 O LEU B 22 129.631 7.851 6.784 1.00 0.00 O ATOM 767 CB LEU B 22 129.553 10.370 4.980 1.00 0.00 C ATOM 768 CG LEU B 22 130.089 11.188 3.801 1.00 0.00 C ATOM 769 CD1 LEU B 22 130.639 12.502 4.287 1.00 0.00 C ATOM 770 CD2 LEU B 22 131.165 10.425 3.041 1.00 0.00 C ATOM 0 H LEU B 22 127.298 9.493 4.937 1.00 0.00 H new ATOM 0 HA LEU B 22 129.693 8.682 3.681 1.00 0.00 H new ATOM 0 HB2 LEU B 22 128.637 10.835 5.343 1.00 0.00 H new ATOM 0 HB3 LEU B 22 130.276 10.411 5.795 1.00 0.00 H new ATOM 0 HG LEU B 22 129.259 11.374 3.119 1.00 0.00 H new ATOM 0 HD11 LEU B 22 131.017 13.074 3.440 1.00 0.00 H new ATOM 0 HD12 LEU B 22 129.849 13.066 4.782 1.00 0.00 H new ATOM 0 HD13 LEU B 22 131.450 12.319 4.992 1.00 0.00 H new ATOM 0 HD21 LEU B 22 131.524 11.033 2.211 1.00 0.00 H new ATOM 0 HD22 LEU B 22 131.994 10.200 3.712 1.00 0.00 H new ATOM 0 HD23 LEU B 22 130.748 9.495 2.656 1.00 0.00 H new ATOM 782 N LEU B 23 131.012 7.324 5.076 1.00 0.00 N ATOM 783 CA LEU B 23 131.849 6.384 5.823 1.00 0.00 C ATOM 784 C LEU B 23 132.543 7.054 7.000 1.00 0.00 C ATOM 785 O LEU B 23 132.631 6.496 8.093 1.00 0.00 O ATOM 786 CB LEU B 23 132.923 5.839 4.892 1.00 0.00 C ATOM 787 CG LEU B 23 134.016 4.966 5.531 1.00 0.00 C ATOM 788 CD1 LEU B 23 133.468 4.049 6.606 1.00 0.00 C ATOM 789 CD2 LEU B 23 134.698 4.131 4.475 1.00 0.00 C ATOM 0 H LEU B 23 131.294 7.435 4.102 1.00 0.00 H new ATOM 0 HA LEU B 23 131.204 5.592 6.204 1.00 0.00 H new ATOM 0 HB2 LEU B 23 132.433 5.254 4.113 1.00 0.00 H new ATOM 0 HB3 LEU B 23 133.407 6.683 4.400 1.00 0.00 H new ATOM 0 HG LEU B 23 134.729 5.645 5.998 1.00 0.00 H new ATOM 0 HD11 LEU B 23 134.280 3.454 7.025 1.00 0.00 H new ATOM 0 HD12 LEU B 23 133.010 4.646 7.395 1.00 0.00 H new ATOM 0 HD13 LEU B 23 132.719 3.386 6.172 1.00 0.00 H new ATOM 0 HD21 LEU B 23 135.470 3.517 4.939 1.00 0.00 H new ATOM 0 HD22 LEU B 23 133.964 3.487 3.991 1.00 0.00 H new ATOM 0 HD23 LEU B 23 135.153 4.785 3.732 1.00 0.00 H new ATOM 801 N SER B 24 133.073 8.241 6.754 1.00 0.00 N ATOM 802 CA SER B 24 133.812 8.983 7.772 1.00 0.00 C ATOM 803 C SER B 24 132.918 9.357 8.946 1.00 0.00 C ATOM 804 O SER B 24 133.411 9.651 10.036 1.00 0.00 O ATOM 805 CB SER B 24 134.422 10.244 7.161 1.00 0.00 C ATOM 806 OG SER B 24 135.579 9.933 6.405 1.00 0.00 O ATOM 0 H SER B 24 133.007 8.717 5.854 1.00 0.00 H new ATOM 0 HA SER B 24 134.608 8.338 8.145 1.00 0.00 H new ATOM 0 HB2 SER B 24 133.687 10.735 6.523 1.00 0.00 H new ATOM 0 HB3 SER B 24 134.679 10.948 7.952 1.00 0.00 H new ATOM 0 HG SER B 24 135.951 10.755 6.023 1.00 0.00 H new ATOM 812 N THR B 25 131.612 9.290 8.747 1.00 0.00 N ATOM 813 CA THR B 25 130.701 9.569 9.844 1.00 0.00 C ATOM 814 C THR B 25 130.801 8.433 10.865 1.00 0.00 C ATOM 815 O THR B 25 130.366 8.554 12.010 1.00 0.00 O ATOM 816 CB THR B 25 129.261 9.710 9.336 1.00 0.00 C ATOM 817 OG1 THR B 25 129.095 10.932 8.639 1.00 0.00 O ATOM 818 CG2 THR B 25 128.208 9.663 10.424 1.00 0.00 C ATOM 0 H THR B 25 131.168 9.051 7.860 1.00 0.00 H new ATOM 0 HA THR B 25 130.978 10.513 10.314 1.00 0.00 H new ATOM 0 HB THR B 25 129.113 8.848 8.686 1.00 0.00 H new ATOM 0 HG1 THR B 25 128.171 11.004 8.321 1.00 0.00 H new ATOM 0 HG21 THR B 25 127.219 9.770 9.978 1.00 0.00 H new ATOM 0 HG22 THR B 25 128.269 8.709 10.948 1.00 0.00 H new ATOM 0 HG23 THR B 25 128.378 10.476 11.130 1.00 0.00 H new ATOM 826 N PHE B 26 131.363 7.314 10.403 1.00 0.00 N ATOM 827 CA PHE B 26 131.521 6.107 11.206 1.00 0.00 C ATOM 828 C PHE B 26 132.939 5.954 11.752 1.00 0.00 C ATOM 829 O PHE B 26 133.210 5.050 12.539 1.00 0.00 O ATOM 830 CB PHE B 26 131.151 4.912 10.333 1.00 0.00 C ATOM 831 CG PHE B 26 129.719 4.954 9.891 1.00 0.00 C ATOM 832 CD1 PHE B 26 129.332 5.884 8.958 1.00 0.00 C ATOM 833 CD2 PHE B 26 128.768 4.081 10.400 1.00 0.00 C ATOM 834 CE1 PHE B 26 128.033 5.957 8.530 1.00 0.00 C ATOM 835 CE2 PHE B 26 127.448 4.147 9.971 1.00 0.00 C ATOM 836 CZ PHE B 26 127.077 5.092 9.030 1.00 0.00 C ATOM 0 H PHE B 26 131.723 7.223 9.453 1.00 0.00 H new ATOM 0 HA PHE B 26 130.866 6.170 12.075 1.00 0.00 H new ATOM 0 HB2 PHE B 26 131.799 4.890 9.457 1.00 0.00 H new ATOM 0 HB3 PHE B 26 131.332 3.990 10.886 1.00 0.00 H new ATOM 0 HD1 PHE B 26 130.064 6.569 8.555 1.00 0.00 H new ATOM 0 HD2 PHE B 26 129.056 3.344 11.135 1.00 0.00 H new ATOM 0 HE1 PHE B 26 127.753 6.697 7.795 1.00 0.00 H new ATOM 0 HE2 PHE B 26 126.714 3.463 10.371 1.00 0.00 H new ATOM 0 HZ PHE B 26 126.054 5.153 8.691 1.00 0.00 H new ATOM 846 N LEU B 27 133.843 6.837 11.348 1.00 0.00 N ATOM 847 CA LEU B 27 135.221 6.774 11.815 1.00 0.00 C ATOM 848 C LEU B 27 135.507 7.864 12.840 1.00 0.00 C ATOM 849 O LEU B 27 134.558 8.579 13.223 1.00 0.00 O ATOM 850 CB LEU B 27 136.178 6.904 10.634 1.00 0.00 C ATOM 851 CG LEU B 27 135.934 5.913 9.496 1.00 0.00 C ATOM 852 CD1 LEU B 27 136.575 6.413 8.218 1.00 0.00 C ATOM 853 CD2 LEU B 27 136.496 4.557 9.867 1.00 0.00 C ATOM 854 OXT LEU B 27 136.679 7.992 13.254 1.00 0.00 O ATOM 0 H LEU B 27 133.648 7.601 10.701 1.00 0.00 H new ATOM 0 HA LEU B 27 135.371 5.808 12.298 1.00 0.00 H new ATOM 0 HB2 LEU B 27 136.106 7.916 10.236 1.00 0.00 H new ATOM 0 HB3 LEU B 27 137.198 6.775 10.996 1.00 0.00 H new ATOM 0 HG LEU B 27 134.860 5.820 9.332 1.00 0.00 H new ATOM 0 HD11 LEU B 27 136.393 5.698 7.416 1.00 0.00 H new ATOM 0 HD12 LEU B 27 136.145 7.377 7.948 1.00 0.00 H new ATOM 0 HD13 LEU B 27 137.649 6.524 8.369 1.00 0.00 H new ATOM 0 HD21 LEU B 27 136.319 3.855 9.052 1.00 0.00 H new ATOM 0 HD22 LEU B 27 137.568 4.644 10.045 1.00 0.00 H new ATOM 0 HD23 LEU B 27 136.006 4.195 10.771 1.00 0.00 H new TER 866 LEU B 27 ATOM 867 N GLY C 1 122.533 6.298 -11.633 1.00 0.00 N ATOM 868 CA GLY C 1 121.391 5.431 -11.235 1.00 0.00 C ATOM 869 C GLY C 1 121.814 4.278 -10.347 1.00 0.00 C ATOM 870 O GLY C 1 121.449 4.233 -9.173 1.00 0.00 O ATOM 0 H1 GLY C 1 122.188 7.070 -12.239 1.00 0.00 H new ATOM 0 H2 GLY C 1 122.978 6.698 -10.782 1.00 0.00 H new ATOM 0 H3 GLY C 1 123.232 5.733 -12.156 1.00 0.00 H new ATOM 0 HA2 GLY C 1 120.648 6.033 -10.712 1.00 0.00 H new ATOM 0 HA3 GLY C 1 120.910 5.037 -12.130 1.00 0.00 H new ATOM 876 N TYR C 2 122.578 3.338 -10.903 1.00 0.00 N ATOM 877 CA TYR C 2 123.038 2.177 -10.144 1.00 0.00 C ATOM 878 C TYR C 2 124.554 2.002 -10.273 1.00 0.00 C ATOM 879 O TYR C 2 125.121 2.202 -11.347 1.00 0.00 O ATOM 880 CB TYR C 2 122.312 0.919 -10.616 1.00 0.00 C ATOM 881 CG TYR C 2 120.988 0.669 -9.918 1.00 0.00 C ATOM 882 CD1 TYR C 2 120.032 1.673 -9.814 1.00 0.00 C ATOM 883 CD2 TYR C 2 120.689 -0.573 -9.371 1.00 0.00 C ATOM 884 CE1 TYR C 2 118.823 1.450 -9.184 1.00 0.00 C ATOM 885 CE2 TYR C 2 119.479 -0.802 -8.741 1.00 0.00 C ATOM 886 CZ TYR C 2 118.552 0.211 -8.649 1.00 0.00 C ATOM 887 OH TYR C 2 117.350 -0.015 -8.020 1.00 0.00 O ATOM 0 H TYR C 2 122.890 3.358 -11.874 1.00 0.00 H new ATOM 0 HA TYR C 2 122.808 2.343 -9.092 1.00 0.00 H new ATOM 0 HB2 TYR C 2 122.136 0.995 -11.689 1.00 0.00 H new ATOM 0 HB3 TYR C 2 122.961 0.058 -10.460 1.00 0.00 H new ATOM 0 HD1 TYR C 2 120.239 2.646 -10.234 1.00 0.00 H new ATOM 0 HD2 TYR C 2 121.413 -1.372 -9.439 1.00 0.00 H new ATOM 0 HE1 TYR C 2 118.094 2.244 -9.112 1.00 0.00 H new ATOM 0 HE2 TYR C 2 119.262 -1.774 -8.322 1.00 0.00 H new ATOM 0 HH TYR C 2 117.489 -0.607 -7.252 1.00 0.00 H new ATOM 897 N ILE C 3 125.202 1.620 -9.171 1.00 0.00 N ATOM 898 CA ILE C 3 126.650 1.409 -9.163 1.00 0.00 C ATOM 899 C ILE C 3 126.995 0.004 -9.544 1.00 0.00 C ATOM 900 O ILE C 3 126.193 -0.908 -9.375 1.00 0.00 O ATOM 901 CB ILE C 3 127.314 1.597 -7.799 1.00 0.00 C ATOM 902 CG1 ILE C 3 126.469 0.997 -6.690 1.00 0.00 C ATOM 903 CG2 ILE C 3 127.633 3.037 -7.525 1.00 0.00 C ATOM 904 CD1 ILE C 3 127.003 1.273 -5.307 1.00 0.00 C ATOM 0 H ILE C 3 124.747 1.451 -8.274 1.00 0.00 H new ATOM 0 HA ILE C 3 127.012 2.158 -9.868 1.00 0.00 H new ATOM 0 HB ILE C 3 128.262 1.059 -7.825 1.00 0.00 H new ATOM 0 HG12 ILE C 3 125.455 1.390 -6.764 1.00 0.00 H new ATOM 0 HG13 ILE C 3 126.404 -0.081 -6.837 1.00 0.00 H new ATOM 0 HG21 ILE C 3 128.104 3.125 -6.546 1.00 0.00 H new ATOM 0 HG22 ILE C 3 128.314 3.411 -8.290 1.00 0.00 H new ATOM 0 HG23 ILE C 3 126.714 3.623 -7.540 1.00 0.00 H new ATOM 0 HD11 ILE C 3 126.348 0.814 -4.566 1.00 0.00 H new ATOM 0 HD12 ILE C 3 128.005 0.855 -5.214 1.00 0.00 H new ATOM 0 HD13 ILE C 3 127.042 2.349 -5.140 1.00 0.00 H new ATOM 916 N PRO C 4 128.221 -0.205 -10.017 1.00 0.00 N ATOM 917 CA PRO C 4 128.680 -1.516 -10.376 1.00 0.00 C ATOM 918 C PRO C 4 129.256 -2.263 -9.179 1.00 0.00 C ATOM 919 O PRO C 4 129.791 -1.667 -8.252 1.00 0.00 O ATOM 920 CB PRO C 4 129.724 -1.247 -11.462 1.00 0.00 C ATOM 921 CG PRO C 4 130.126 0.199 -11.302 1.00 0.00 C ATOM 922 CD PRO C 4 129.267 0.801 -10.208 1.00 0.00 C ATOM 0 HA PRO C 4 127.879 -2.165 -10.729 1.00 0.00 H new ATOM 0 HB2 PRO C 4 130.585 -1.906 -11.348 1.00 0.00 H new ATOM 0 HB3 PRO C 4 129.311 -1.430 -12.454 1.00 0.00 H new ATOM 0 HG2 PRO C 4 131.182 0.275 -11.044 1.00 0.00 H new ATOM 0 HG3 PRO C 4 129.987 0.740 -12.238 1.00 0.00 H new ATOM 0 HD2 PRO C 4 129.837 0.969 -9.294 1.00 0.00 H new ATOM 0 HD3 PRO C 4 128.851 1.764 -10.506 1.00 0.00 H new ATOM 930 N GLU C 5 129.074 -3.581 -9.206 1.00 0.00 N ATOM 931 CA GLU C 5 129.501 -4.468 -8.127 1.00 0.00 C ATOM 932 C GLU C 5 131.004 -4.375 -7.836 1.00 0.00 C ATOM 933 O GLU C 5 131.823 -4.231 -8.744 1.00 0.00 O ATOM 934 CB GLU C 5 129.124 -5.918 -8.464 1.00 0.00 C ATOM 935 CG GLU C 5 129.832 -6.966 -7.607 1.00 0.00 C ATOM 936 CD GLU C 5 128.881 -7.777 -6.745 1.00 0.00 C ATOM 937 OE1 GLU C 5 128.130 -8.603 -7.305 1.00 0.00 O ATOM 938 OE2 GLU C 5 128.885 -7.580 -5.503 1.00 0.00 O ATOM 0 H GLU C 5 128.623 -4.066 -9.982 1.00 0.00 H new ATOM 0 HA GLU C 5 128.982 -4.144 -7.225 1.00 0.00 H new ATOM 0 HB2 GLU C 5 128.047 -6.038 -8.348 1.00 0.00 H new ATOM 0 HB3 GLU C 5 129.354 -6.107 -9.513 1.00 0.00 H new ATOM 0 HG2 GLU C 5 130.388 -7.641 -8.257 1.00 0.00 H new ATOM 0 HG3 GLU C 5 130.560 -6.469 -6.965 1.00 0.00 H new ATOM 945 N ALA C 6 131.343 -4.477 -6.549 1.00 0.00 N ATOM 946 CA ALA C 6 132.730 -4.427 -6.089 1.00 0.00 C ATOM 947 C ALA C 6 133.403 -5.807 -6.150 1.00 0.00 C ATOM 948 O ALA C 6 132.738 -6.838 -6.048 1.00 0.00 O ATOM 949 CB ALA C 6 132.782 -3.881 -4.670 1.00 0.00 C ATOM 0 H ALA C 6 130.663 -4.596 -5.798 1.00 0.00 H new ATOM 0 HA ALA C 6 133.280 -3.765 -6.757 1.00 0.00 H new ATOM 0 HB1 ALA C 6 133.817 -3.846 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA C 6 132.359 -2.876 -4.651 1.00 0.00 H new ATOM 0 HB3 ALA C 6 132.206 -4.529 -4.009 1.00 0.00 H new ATOM 955 N PRO C 7 134.743 -5.833 -6.317 1.00 0.00 N ATOM 956 CA PRO C 7 135.531 -7.079 -6.393 1.00 0.00 C ATOM 957 C PRO C 7 135.238 -8.066 -5.264 1.00 0.00 C ATOM 958 O PRO C 7 134.789 -7.681 -4.184 1.00 0.00 O ATOM 959 CB PRO C 7 136.974 -6.586 -6.275 1.00 0.00 C ATOM 960 CG PRO C 7 136.947 -5.200 -6.812 1.00 0.00 C ATOM 961 CD PRO C 7 135.601 -4.637 -6.443 1.00 0.00 C ATOM 0 HA PRO C 7 135.301 -7.627 -7.307 1.00 0.00 H new ATOM 0 HB2 PRO C 7 137.314 -6.602 -5.240 1.00 0.00 H new ATOM 0 HB3 PRO C 7 137.656 -7.218 -6.845 1.00 0.00 H new ATOM 0 HG2 PRO C 7 137.751 -4.601 -6.385 1.00 0.00 H new ATOM 0 HG3 PRO C 7 137.088 -5.198 -7.893 1.00 0.00 H new ATOM 0 HD2 PRO C 7 135.644 -4.075 -5.510 1.00 0.00 H new ATOM 0 HD3 PRO C 7 135.229 -3.956 -7.208 1.00 0.00 H new ATOM 969 N ARG C 8 135.510 -9.345 -5.527 1.00 0.00 N ATOM 970 CA ARG C 8 135.297 -10.409 -4.549 1.00 0.00 C ATOM 971 C ARG C 8 136.619 -10.993 -4.084 1.00 0.00 C ATOM 972 O ARG C 8 136.860 -12.196 -4.193 1.00 0.00 O ATOM 973 CB ARG C 8 134.441 -11.503 -5.149 1.00 0.00 C ATOM 974 CG ARG C 8 132.964 -11.367 -4.828 1.00 0.00 C ATOM 975 CD ARG C 8 132.102 -11.545 -6.059 1.00 0.00 C ATOM 976 NE ARG C 8 132.218 -12.890 -6.622 1.00 0.00 N ATOM 977 CZ ARG C 8 131.479 -13.927 -6.232 1.00 0.00 C ATOM 978 NH1 ARG C 8 130.578 -13.787 -5.266 1.00 0.00 N ATOM 979 NH2 ARG C 8 131.644 -15.111 -6.807 1.00 0.00 N ATOM 0 H ARG C 8 135.882 -9.670 -6.419 1.00 0.00 H new ATOM 0 HA ARG C 8 134.786 -9.979 -3.688 1.00 0.00 H new ATOM 0 HB2 ARG C 8 134.570 -11.501 -6.231 1.00 0.00 H new ATOM 0 HB3 ARG C 8 134.795 -12.469 -4.788 1.00 0.00 H new ATOM 0 HG2 ARG C 8 132.685 -12.108 -4.079 1.00 0.00 H new ATOM 0 HG3 ARG C 8 132.776 -10.386 -4.391 1.00 0.00 H new ATOM 0 HD2 ARG C 8 131.061 -11.348 -5.804 1.00 0.00 H new ATOM 0 HD3 ARG C 8 132.390 -10.811 -6.812 1.00 0.00 H new ATOM 0 HE ARG C 8 132.907 -13.043 -7.358 1.00 0.00 H new ATOM 0 HH11 ARG C 8 130.448 -12.880 -4.817 1.00 0.00 H new ATOM 0 HH12 ARG C 8 130.016 -14.586 -4.973 1.00 0.00 H new ATOM 0 HH21 ARG C 8 132.336 -15.226 -7.547 1.00 0.00 H new ATOM 0 HH22 ARG C 8 131.079 -15.906 -6.509 1.00 0.00 H new ATOM 993 N ASP C 9 137.466 -10.137 -3.557 1.00 0.00 N ATOM 994 CA ASP C 9 138.760 -10.564 -3.063 1.00 0.00 C ATOM 995 C ASP C 9 138.751 -10.668 -1.541 1.00 0.00 C ATOM 996 O ASP C 9 139.807 -10.688 -0.907 1.00 0.00 O ATOM 997 CB ASP C 9 139.855 -9.584 -3.475 1.00 0.00 C ATOM 998 CG ASP C 9 139.610 -8.186 -2.944 1.00 0.00 C ATOM 999 OD1 ASP C 9 138.430 -7.804 -2.798 1.00 0.00 O ATOM 1000 OD2 ASP C 9 140.599 -7.472 -2.674 1.00 0.00 O ATOM 0 H ASP C 9 137.283 -9.138 -3.459 1.00 0.00 H new ATOM 0 HA ASP C 9 138.964 -11.542 -3.499 1.00 0.00 H new ATOM 0 HB2 ASP C 9 140.817 -9.944 -3.111 1.00 0.00 H new ATOM 0 HB3 ASP C 9 139.918 -9.551 -4.563 1.00 0.00 H new ATOM 1005 N GLY C 10 137.562 -10.730 -0.958 1.00 0.00 N ATOM 1006 CA GLY C 10 137.452 -10.825 0.484 1.00 0.00 C ATOM 1007 C GLY C 10 137.802 -9.531 1.185 1.00 0.00 C ATOM 1008 O GLY C 10 137.921 -9.502 2.409 1.00 0.00 O ATOM 0 H GLY C 10 136.672 -10.716 -1.457 1.00 0.00 H new ATOM 0 HA2 GLY C 10 136.434 -11.112 0.748 1.00 0.00 H new ATOM 0 HA3 GLY C 10 138.110 -11.617 0.843 1.00 0.00 H new ATOM 1012 N GLN C 11 137.935 -8.446 0.425 1.00 0.00 N ATOM 1013 CA GLN C 11 138.230 -7.160 1.025 1.00 0.00 C ATOM 1014 C GLN C 11 136.991 -6.297 0.987 1.00 0.00 C ATOM 1015 O GLN C 11 136.140 -6.461 0.115 1.00 0.00 O ATOM 1016 CB GLN C 11 139.359 -6.433 0.328 1.00 0.00 C ATOM 1017 CG GLN C 11 140.701 -7.133 0.372 1.00 0.00 C ATOM 1018 CD GLN C 11 141.747 -6.396 -0.447 1.00 0.00 C ATOM 1019 OE1 GLN C 11 141.446 -5.401 -1.106 1.00 0.00 O ATOM 1020 NE2 GLN C 11 142.977 -6.881 -0.419 1.00 0.00 N ATOM 0 H GLN C 11 137.844 -8.436 -0.591 1.00 0.00 H new ATOM 0 HA GLN C 11 138.547 -7.348 2.051 1.00 0.00 H new ATOM 0 HB2 GLN C 11 139.082 -6.279 -0.715 1.00 0.00 H new ATOM 0 HB3 GLN C 11 139.467 -5.446 0.778 1.00 0.00 H new ATOM 0 HG2 GLN C 11 141.037 -7.211 1.406 1.00 0.00 H new ATOM 0 HG3 GLN C 11 140.593 -8.150 -0.006 1.00 0.00 H new ATOM 0 HE21 GLN C 11 143.186 -7.708 0.140 1.00 0.00 H new ATOM 0 HE22 GLN C 11 143.716 -6.428 -0.956 1.00 0.00 H new ATOM 1029 N ALA C 12 136.882 -5.388 1.938 1.00 0.00 N ATOM 1030 CA ALA C 12 135.738 -4.515 2.029 1.00 0.00 C ATOM 1031 C ALA C 12 135.942 -3.223 1.307 1.00 0.00 C ATOM 1032 O ALA C 12 136.999 -2.601 1.372 1.00 0.00 O ATOM 1033 CB ALA C 12 135.397 -4.265 3.480 1.00 0.00 C ATOM 0 H ALA C 12 137.583 -5.238 2.664 1.00 0.00 H new ATOM 0 HA ALA C 12 134.904 -5.018 1.539 1.00 0.00 H new ATOM 0 HB1 ALA C 12 134.532 -3.605 3.542 1.00 0.00 H new ATOM 0 HB2 ALA C 12 135.166 -5.212 3.968 1.00 0.00 H new ATOM 0 HB3 ALA C 12 136.246 -3.798 3.978 1.00 0.00 H new ATOM 1039 N TYR C 13 134.898 -2.838 0.609 1.00 0.00 N ATOM 1040 CA TYR C 13 134.898 -1.624 -0.152 1.00 0.00 C ATOM 1041 C TYR C 13 133.802 -0.706 0.308 1.00 0.00 C ATOM 1042 O TYR C 13 132.794 -1.122 0.879 1.00 0.00 O ATOM 1043 CB TYR C 13 134.670 -1.905 -1.630 1.00 0.00 C ATOM 1044 CG TYR C 13 135.763 -2.695 -2.301 1.00 0.00 C ATOM 1045 CD1 TYR C 13 136.985 -2.111 -2.567 1.00 0.00 C ATOM 1046 CD2 TYR C 13 135.574 -4.014 -2.663 1.00 0.00 C ATOM 1047 CE1 TYR C 13 138.000 -2.820 -3.179 1.00 0.00 C ATOM 1048 CE2 TYR C 13 136.580 -4.738 -3.272 1.00 0.00 C ATOM 1049 CZ TYR C 13 137.793 -4.136 -3.528 1.00 0.00 C ATOM 1050 OH TYR C 13 138.800 -4.851 -4.134 1.00 0.00 O ATOM 0 H TYR C 13 134.026 -3.364 0.557 1.00 0.00 H new ATOM 0 HA TYR C 13 135.872 -1.158 -0.004 1.00 0.00 H new ATOM 0 HB2 TYR C 13 133.730 -2.446 -1.741 1.00 0.00 H new ATOM 0 HB3 TYR C 13 134.555 -0.955 -2.152 1.00 0.00 H new ATOM 0 HD1 TYR C 13 137.151 -1.080 -2.291 1.00 0.00 H new ATOM 0 HD2 TYR C 13 134.623 -4.487 -2.467 1.00 0.00 H new ATOM 0 HE1 TYR C 13 138.949 -2.346 -3.382 1.00 0.00 H new ATOM 0 HE2 TYR C 13 136.417 -5.770 -3.546 1.00 0.00 H new ATOM 0 HH TYR C 13 138.790 -5.774 -3.805 1.00 0.00 H new ATOM 1060 N VAL C 14 134.010 0.540 0.000 1.00 0.00 N ATOM 1061 CA VAL C 14 133.079 1.585 0.296 1.00 0.00 C ATOM 1062 C VAL C 14 132.796 2.284 -1.002 1.00 0.00 C ATOM 1063 O VAL C 14 133.547 2.130 -1.967 1.00 0.00 O ATOM 1064 CB VAL C 14 133.606 2.522 1.400 1.00 0.00 C ATOM 1065 CG1 VAL C 14 135.123 2.568 1.412 1.00 0.00 C ATOM 1066 CG2 VAL C 14 133.031 3.921 1.294 1.00 0.00 C ATOM 0 H VAL C 14 134.852 0.864 -0.475 1.00 0.00 H new ATOM 0 HA VAL C 14 132.150 1.189 0.706 1.00 0.00 H new ATOM 0 HB VAL C 14 133.267 2.102 2.347 1.00 0.00 H new ATOM 0 HG11 VAL C 14 135.460 3.238 2.203 1.00 0.00 H new ATOM 0 HG12 VAL C 14 135.516 1.567 1.592 1.00 0.00 H new ATOM 0 HG13 VAL C 14 135.484 2.932 0.450 1.00 0.00 H new ATOM 0 HG21 VAL C 14 133.434 4.542 2.094 1.00 0.00 H new ATOM 0 HG22 VAL C 14 133.300 4.353 0.330 1.00 0.00 H new ATOM 0 HG23 VAL C 14 131.945 3.876 1.381 1.00 0.00 H new ATOM 1076 N ARG C 15 131.694 2.985 -1.072 1.00 0.00 N ATOM 1077 CA ARG C 15 131.333 3.601 -2.327 1.00 0.00 C ATOM 1078 C ARG C 15 131.621 5.091 -2.297 1.00 0.00 C ATOM 1079 O ARG C 15 130.922 5.886 -1.669 1.00 0.00 O ATOM 1080 CB ARG C 15 129.852 3.318 -2.621 1.00 0.00 C ATOM 1081 CG ARG C 15 129.509 2.747 -3.996 1.00 0.00 C ATOM 1082 CD ARG C 15 130.392 3.244 -5.116 1.00 0.00 C ATOM 1083 NE ARG C 15 129.704 4.243 -5.943 1.00 0.00 N ATOM 1084 CZ ARG C 15 129.791 5.558 -5.767 1.00 0.00 C ATOM 1085 NH1 ARG C 15 130.700 6.053 -4.952 1.00 0.00 N ATOM 1086 NH2 ARG C 15 129.000 6.384 -6.431 1.00 0.00 N ATOM 0 H ARG C 15 131.046 3.142 -0.300 1.00 0.00 H new ATOM 0 HA ARG C 15 131.936 3.175 -3.129 1.00 0.00 H new ATOM 0 HB2 ARG C 15 129.485 2.623 -1.866 1.00 0.00 H new ATOM 0 HB3 ARG C 15 129.299 4.249 -2.494 1.00 0.00 H new ATOM 0 HG2 ARG C 15 129.576 1.660 -3.952 1.00 0.00 H new ATOM 0 HG3 ARG C 15 128.473 2.993 -4.230 1.00 0.00 H new ATOM 0 HD2 ARG C 15 131.300 3.679 -4.699 1.00 0.00 H new ATOM 0 HD3 ARG C 15 130.698 2.404 -5.739 1.00 0.00 H new ATOM 0 HE ARG C 15 129.118 3.904 -6.706 1.00 0.00 H new ATOM 0 HH11 ARG C 15 131.336 5.428 -4.457 1.00 0.00 H new ATOM 0 HH12 ARG C 15 130.768 7.062 -4.816 1.00 0.00 H new ATOM 0 HH21 ARG C 15 128.313 6.014 -7.088 1.00 0.00 H new ATOM 0 HH22 ARG C 15 129.077 7.391 -6.286 1.00 0.00 H new ATOM 1100 N LYS C 16 132.671 5.434 -3.045 1.00 0.00 N ATOM 1101 CA LYS C 16 133.135 6.799 -3.210 1.00 0.00 C ATOM 1102 C LYS C 16 133.477 7.071 -4.674 1.00 0.00 C ATOM 1103 O LYS C 16 134.177 6.276 -5.297 1.00 0.00 O ATOM 1104 CB LYS C 16 134.344 7.026 -2.309 1.00 0.00 C ATOM 1105 CG LYS C 16 135.410 7.950 -2.847 1.00 0.00 C ATOM 1106 CD LYS C 16 136.015 8.736 -1.694 1.00 0.00 C ATOM 1107 CE LYS C 16 137.471 9.065 -1.929 1.00 0.00 C ATOM 1108 NZ LYS C 16 138.376 8.018 -1.382 1.00 0.00 N ATOM 0 H LYS C 16 133.229 4.753 -3.560 1.00 0.00 H new ATOM 0 HA LYS C 16 132.346 7.494 -2.923 1.00 0.00 H new ATOM 0 HB2 LYS C 16 133.993 7.425 -1.358 1.00 0.00 H new ATOM 0 HB3 LYS C 16 134.802 6.059 -2.099 1.00 0.00 H new ATOM 0 HG2 LYS C 16 136.183 7.375 -3.357 1.00 0.00 H new ATOM 0 HG3 LYS C 16 134.981 8.631 -3.582 1.00 0.00 H new ATOM 0 HD2 LYS C 16 135.454 9.660 -1.552 1.00 0.00 H new ATOM 0 HD3 LYS C 16 135.918 8.160 -0.774 1.00 0.00 H new ATOM 0 HE2 LYS C 16 137.649 9.175 -2.999 1.00 0.00 H new ATOM 0 HE3 LYS C 16 137.705 10.024 -1.466 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 139.172 7.871 -2.035 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 138.739 8.322 -0.456 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 137.850 7.128 -1.272 1.00 0.00 H new ATOM 1122 N ASP C 17 133.017 8.193 -5.216 1.00 0.00 N ATOM 1123 CA ASP C 17 133.320 8.579 -6.597 1.00 0.00 C ATOM 1124 C ASP C 17 133.094 7.447 -7.599 1.00 0.00 C ATOM 1125 O ASP C 17 133.918 7.215 -8.484 1.00 0.00 O ATOM 1126 CB ASP C 17 134.759 9.132 -6.719 1.00 0.00 C ATOM 1127 CG ASP C 17 135.735 8.650 -5.667 1.00 0.00 C ATOM 1128 OD1 ASP C 17 136.010 7.434 -5.620 1.00 0.00 O ATOM 1129 OD2 ASP C 17 136.255 9.496 -4.913 1.00 0.00 O ATOM 0 H ASP C 17 132.427 8.859 -4.718 1.00 0.00 H new ATOM 0 HA ASP C 17 132.615 9.370 -6.851 1.00 0.00 H new ATOM 0 HB2 ASP C 17 135.150 8.865 -7.701 1.00 0.00 H new ATOM 0 HB3 ASP C 17 134.716 10.220 -6.678 1.00 0.00 H new ATOM 1134 N GLY C 18 131.959 6.770 -7.480 1.00 0.00 N ATOM 1135 CA GLY C 18 131.611 5.697 -8.396 1.00 0.00 C ATOM 1136 C GLY C 18 132.579 4.531 -8.390 1.00 0.00 C ATOM 1137 O GLY C 18 132.579 3.730 -9.325 1.00 0.00 O ATOM 0 H GLY C 18 131.264 6.947 -6.755 1.00 0.00 H new ATOM 0 HA2 GLY C 18 130.616 5.329 -8.144 1.00 0.00 H new ATOM 0 HA3 GLY C 18 131.555 6.102 -9.406 1.00 0.00 H new ATOM 1141 N GLU C 19 133.421 4.432 -7.369 1.00 0.00 N ATOM 1142 CA GLU C 19 134.386 3.356 -7.318 1.00 0.00 C ATOM 1143 C GLU C 19 134.385 2.668 -5.970 1.00 0.00 C ATOM 1144 O GLU C 19 133.951 3.237 -4.969 1.00 0.00 O ATOM 1145 CB GLU C 19 135.764 3.926 -7.600 1.00 0.00 C ATOM 1146 CG GLU C 19 135.845 4.681 -8.916 1.00 0.00 C ATOM 1147 CD GLU C 19 137.056 5.590 -8.996 1.00 0.00 C ATOM 1148 OE1 GLU C 19 137.113 6.572 -8.226 1.00 0.00 O ATOM 1149 OE2 GLU C 19 137.947 5.320 -9.828 1.00 0.00 O ATOM 0 H GLU C 19 133.451 5.076 -6.579 1.00 0.00 H new ATOM 0 HA GLU C 19 134.117 2.612 -8.068 1.00 0.00 H new ATOM 0 HB2 GLU C 19 136.046 4.595 -6.787 1.00 0.00 H new ATOM 0 HB3 GLU C 19 136.490 3.113 -7.610 1.00 0.00 H new ATOM 0 HG2 GLU C 19 135.877 3.967 -9.739 1.00 0.00 H new ATOM 0 HG3 GLU C 19 134.941 5.275 -9.045 1.00 0.00 H new ATOM 1156 N TRP C 20 134.889 1.441 -5.944 1.00 0.00 N ATOM 1157 CA TRP C 20 134.955 0.696 -4.707 1.00 0.00 C ATOM 1158 C TRP C 20 136.296 0.888 -4.052 1.00 0.00 C ATOM 1159 O TRP C 20 137.318 0.384 -4.521 1.00 0.00 O ATOM 1160 CB TRP C 20 134.649 -0.784 -4.918 1.00 0.00 C ATOM 1161 CG TRP C 20 133.231 -0.951 -5.312 1.00 0.00 C ATOM 1162 CD1 TRP C 20 132.717 -1.389 -6.499 1.00 0.00 C ATOM 1163 CD2 TRP C 20 132.127 -0.611 -4.493 1.00 0.00 C ATOM 1164 NE1 TRP C 20 131.342 -1.346 -6.447 1.00 0.00 N ATOM 1165 CE2 TRP C 20 130.966 -0.875 -5.225 1.00 0.00 C ATOM 1166 CE3 TRP C 20 132.011 -0.110 -3.196 1.00 0.00 C ATOM 1167 CZ2 TRP C 20 129.709 -0.655 -4.710 1.00 0.00 C ATOM 1168 CZ3 TRP C 20 130.762 0.107 -2.686 1.00 0.00 C ATOM 1169 CH2 TRP C 20 129.622 -0.168 -3.444 1.00 0.00 C ATOM 0 H TRP C 20 135.253 0.950 -6.760 1.00 0.00 H new ATOM 0 HA TRP C 20 134.186 1.086 -4.041 1.00 0.00 H new ATOM 0 HB2 TRP C 20 135.301 -1.193 -5.690 1.00 0.00 H new ATOM 0 HB3 TRP C 20 134.850 -1.341 -4.003 1.00 0.00 H new ATOM 0 HD1 TRP C 20 133.299 -1.718 -7.347 1.00 0.00 H new ATOM 0 HE1 TRP C 20 130.710 -1.621 -7.199 1.00 0.00 H new ATOM 0 HE3 TRP C 20 132.891 0.102 -2.607 1.00 0.00 H new ATOM 0 HZ2 TRP C 20 128.823 -0.862 -5.291 1.00 0.00 H new ATOM 0 HZ3 TRP C 20 130.655 0.496 -1.684 1.00 0.00 H new ATOM 0 HH2 TRP C 20 128.648 0.011 -3.014 1.00 0.00 H new ATOM 1180 N VAL C 21 136.280 1.617 -2.951 1.00 0.00 N ATOM 1181 CA VAL C 21 137.490 1.875 -2.210 1.00 0.00 C ATOM 1182 C VAL C 21 137.528 1.021 -0.984 1.00 0.00 C ATOM 1183 O VAL C 21 136.550 0.889 -0.251 1.00 0.00 O ATOM 1184 CB VAL C 21 137.647 3.332 -1.753 1.00 0.00 C ATOM 1185 CG1 VAL C 21 139.077 3.577 -1.301 1.00 0.00 C ATOM 1186 CG2 VAL C 21 137.265 4.348 -2.821 1.00 0.00 C ATOM 0 H VAL C 21 135.440 2.039 -2.554 1.00 0.00 H new ATOM 0 HA VAL C 21 138.303 1.648 -2.900 1.00 0.00 H new ATOM 0 HB VAL C 21 136.953 3.475 -0.925 1.00 0.00 H new ATOM 0 HG11 VAL C 21 139.184 4.612 -0.977 1.00 0.00 H new ATOM 0 HG12 VAL C 21 139.316 2.911 -0.472 1.00 0.00 H new ATOM 0 HG13 VAL C 21 139.759 3.383 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL C 21 137.400 5.356 -2.429 1.00 0.00 H new ATOM 0 HG22 VAL C 21 137.899 4.211 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL C 21 136.222 4.205 -3.102 1.00 0.00 H new ATOM 1196 N LEU C 22 138.685 0.465 -0.769 1.00 0.00 N ATOM 1197 CA LEU C 22 138.934 -0.378 0.364 1.00 0.00 C ATOM 1198 C LEU C 22 138.484 0.300 1.652 1.00 0.00 C ATOM 1199 O LEU C 22 138.934 1.394 1.985 1.00 0.00 O ATOM 1200 CB LEU C 22 140.419 -0.694 0.392 1.00 0.00 C ATOM 1201 CG LEU C 22 140.818 -2.035 -0.224 1.00 0.00 C ATOM 1202 CD1 LEU C 22 142.288 -2.325 0.020 1.00 0.00 C ATOM 1203 CD2 LEU C 22 139.975 -3.156 0.343 1.00 0.00 C ATOM 0 H LEU C 22 139.491 0.586 -1.382 1.00 0.00 H new ATOM 0 HA LEU C 22 138.363 -1.303 0.281 1.00 0.00 H new ATOM 0 HB2 LEU C 22 140.952 0.100 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU C 22 140.757 -0.675 1.428 1.00 0.00 H new ATOM 0 HG LEU C 22 140.646 -1.972 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU C 22 142.549 -3.284 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU C 22 142.894 -1.538 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU C 22 142.479 -2.361 1.093 1.00 0.00 H new ATOM 0 HD21 LEU C 22 140.275 -4.101 -0.109 1.00 0.00 H new ATOM 0 HD22 LEU C 22 140.117 -3.208 1.422 1.00 0.00 H new ATOM 0 HD23 LEU C 22 138.924 -2.967 0.124 1.00 0.00 H new ATOM 1215 N LEU C 23 137.592 -0.363 2.369 1.00 0.00 N ATOM 1216 CA LEU C 23 137.070 0.155 3.626 1.00 0.00 C ATOM 1217 C LEU C 23 138.195 0.405 4.605 1.00 0.00 C ATOM 1218 O LEU C 23 138.196 1.391 5.342 1.00 0.00 O ATOM 1219 CB LEU C 23 136.116 -0.864 4.233 1.00 0.00 C ATOM 1220 CG LEU C 23 135.452 -0.485 5.567 1.00 0.00 C ATOM 1221 CD1 LEU C 23 135.229 1.012 5.697 1.00 0.00 C ATOM 1222 CD2 LEU C 23 134.129 -1.209 5.714 1.00 0.00 C ATOM 0 H LEU C 23 137.210 -1.270 2.100 1.00 0.00 H new ATOM 0 HA LEU C 23 136.551 1.093 3.426 1.00 0.00 H new ATOM 0 HB2 LEU C 23 135.328 -1.066 3.507 1.00 0.00 H new ATOM 0 HB3 LEU C 23 136.662 -1.796 4.378 1.00 0.00 H new ATOM 0 HG LEU C 23 136.134 -0.788 6.361 1.00 0.00 H new ATOM 0 HD11 LEU C 23 134.758 1.228 6.656 1.00 0.00 H new ATOM 0 HD12 LEU C 23 136.187 1.529 5.639 1.00 0.00 H new ATOM 0 HD13 LEU C 23 134.582 1.355 4.890 1.00 0.00 H new ATOM 0 HD21 LEU C 23 133.667 -0.934 6.662 1.00 0.00 H new ATOM 0 HD22 LEU C 23 133.468 -0.929 4.894 1.00 0.00 H new ATOM 0 HD23 LEU C 23 134.299 -2.285 5.692 1.00 0.00 H new ATOM 1234 N SER C 24 139.151 -0.505 4.617 1.00 0.00 N ATOM 1235 CA SER C 24 140.283 -0.401 5.516 1.00 0.00 C ATOM 1236 C SER C 24 141.112 0.830 5.187 1.00 0.00 C ATOM 1237 O SER C 24 141.879 1.305 6.027 1.00 0.00 O ATOM 1238 CB SER C 24 141.150 -1.658 5.434 1.00 0.00 C ATOM 1239 OG SER C 24 142.314 -1.532 6.233 1.00 0.00 O ATOM 0 H SER C 24 139.165 -1.326 4.012 1.00 0.00 H new ATOM 0 HA SER C 24 139.904 -0.305 6.534 1.00 0.00 H new ATOM 0 HB2 SER C 24 140.573 -2.523 5.762 1.00 0.00 H new ATOM 0 HB3 SER C 24 141.435 -1.839 4.398 1.00 0.00 H new ATOM 0 HG SER C 24 142.849 -2.350 6.163 1.00 0.00 H new ATOM 1245 N THR C 25 140.928 1.385 3.991 1.00 0.00 N ATOM 1246 CA THR C 25 141.647 2.595 3.639 1.00 0.00 C ATOM 1247 C THR C 25 141.090 3.754 4.468 1.00 0.00 C ATOM 1248 O THR C 25 141.727 4.796 4.622 1.00 0.00 O ATOM 1249 CB THR C 25 141.538 2.899 2.138 1.00 0.00 C ATOM 1250 OG1 THR C 25 142.370 2.027 1.394 1.00 0.00 O ATOM 1251 CG2 THR C 25 141.919 4.316 1.765 1.00 0.00 C ATOM 0 H THR C 25 140.303 1.024 3.270 1.00 0.00 H new ATOM 0 HA THR C 25 142.706 2.457 3.859 1.00 0.00 H new ATOM 0 HB THR C 25 140.484 2.757 1.899 1.00 0.00 H new ATOM 0 HG1 THR C 25 142.288 2.232 0.439 1.00 0.00 H new ATOM 0 HG21 THR C 25 141.815 4.449 0.688 1.00 0.00 H new ATOM 0 HG22 THR C 25 141.264 5.017 2.282 1.00 0.00 H new ATOM 0 HG23 THR C 25 142.953 4.503 2.056 1.00 0.00 H new ATOM 1259 N PHE C 26 139.881 3.544 5.001 1.00 0.00 N ATOM 1260 CA PHE C 26 139.200 4.533 5.823 1.00 0.00 C ATOM 1261 C PHE C 26 139.398 4.227 7.307 1.00 0.00 C ATOM 1262 O PHE C 26 138.904 4.942 8.170 1.00 0.00 O ATOM 1263 CB PHE C 26 137.710 4.575 5.451 1.00 0.00 C ATOM 1264 CG PHE C 26 137.491 5.158 4.071 1.00 0.00 C ATOM 1265 CD1 PHE C 26 137.397 6.531 3.873 1.00 0.00 C ATOM 1266 CD2 PHE C 26 137.431 4.330 2.963 1.00 0.00 C ATOM 1267 CE1 PHE C 26 137.239 7.059 2.597 1.00 0.00 C ATOM 1268 CE2 PHE C 26 137.284 4.846 1.688 1.00 0.00 C ATOM 1269 CZ PHE C 26 137.186 6.219 1.497 1.00 0.00 C ATOM 0 H PHE C 26 139.353 2.681 4.871 1.00 0.00 H new ATOM 0 HA PHE C 26 139.630 5.517 5.634 1.00 0.00 H new ATOM 0 HB2 PHE C 26 137.297 3.567 5.489 1.00 0.00 H new ATOM 0 HB3 PHE C 26 137.168 5.169 6.187 1.00 0.00 H new ATOM 0 HD1 PHE C 26 137.447 7.196 4.722 1.00 0.00 H new ATOM 0 HD2 PHE C 26 137.500 3.261 3.097 1.00 0.00 H new ATOM 0 HE1 PHE C 26 137.157 8.128 2.463 1.00 0.00 H new ATOM 0 HE2 PHE C 26 137.245 4.180 0.839 1.00 0.00 H new ATOM 0 HZ PHE C 26 137.070 6.626 0.503 1.00 0.00 H new ATOM 1279 N LEU C 27 140.143 3.164 7.600 1.00 0.00 N ATOM 1280 CA LEU C 27 140.412 2.778 8.979 1.00 0.00 C ATOM 1281 C LEU C 27 141.867 3.033 9.350 1.00 0.00 C ATOM 1282 O LEU C 27 142.752 2.406 8.732 1.00 0.00 O ATOM 1283 CB LEU C 27 140.079 1.302 9.179 1.00 0.00 C ATOM 1284 CG LEU C 27 138.606 0.911 8.997 1.00 0.00 C ATOM 1285 CD1 LEU C 27 138.027 0.406 10.287 1.00 0.00 C ATOM 1286 CD2 LEU C 27 137.752 2.057 8.505 1.00 0.00 C ATOM 1287 OXT LEU C 27 142.109 3.853 10.260 1.00 0.00 O ATOM 0 H LEU C 27 140.570 2.556 6.901 1.00 0.00 H new ATOM 0 HA LEU C 27 139.783 3.386 9.629 1.00 0.00 H new ATOM 0 HB2 LEU C 27 140.678 0.718 8.480 1.00 0.00 H new ATOM 0 HB3 LEU C 27 140.389 1.013 10.183 1.00 0.00 H new ATOM 0 HG LEU C 27 138.595 0.126 8.241 1.00 0.00 H new ATOM 0 HD11 LEU C 27 136.982 0.135 10.135 1.00 0.00 H new ATOM 0 HD12 LEU C 27 138.585 -0.470 10.618 1.00 0.00 H new ATOM 0 HD13 LEU C 27 138.093 1.186 11.045 1.00 0.00 H new ATOM 0 HD21 LEU C 27 136.721 1.721 8.395 1.00 0.00 H new ATOM 0 HD22 LEU C 27 137.792 2.876 9.224 1.00 0.00 H new ATOM 0 HD23 LEU C 27 138.126 2.402 7.541 1.00 0.00 H new TER 1299 LEU C 27