USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 CYS SG : rot 180:sc= 0.662 USER MOD Set 1.2: A 48 THR OG1 : rot -127:sc= 0.777 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 55:sc= 0.255 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0179 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0434 USER MOD Single : A 70 THR OG1 : rot -77:sc= -0.267 USER MOD Single : A 79 ASN : amide:sc= -2.17 K(o=-2.2,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.444 11.263 -1.278 1.00 0.00 N ATOM 2 CA MET A 1 -13.279 12.736 -1.432 1.00 0.00 C ATOM 3 C MET A 1 -12.111 13.020 -2.373 1.00 0.00 C ATOM 4 O MET A 1 -12.262 13.708 -3.382 1.00 0.00 O ATOM 5 CB MET A 1 -12.999 13.365 -0.064 1.00 0.00 C ATOM 6 CG MET A 1 -13.630 14.757 -0.003 1.00 0.00 C ATOM 7 SD MET A 1 -12.734 15.876 -1.109 1.00 0.00 S ATOM 8 CE MET A 1 -14.174 16.509 -2.006 1.00 0.00 C ATOM 0 H1 MET A 1 -14.239 11.068 -0.637 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.635 10.836 -2.207 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.573 10.856 -0.882 1.00 0.00 H new ATOM 0 HA MET A 1 -14.192 13.163 -1.847 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.405 12.735 0.728 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.924 13.434 0.103 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.679 14.705 -0.293 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.600 15.137 1.018 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.848 17.231 -2.755 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.688 15.683 -2.498 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.854 16.994 -1.306 1.00 0.00 H new ATOM 20 N ALA A 2 -10.945 12.480 -2.030 1.00 0.00 N ATOM 21 CA ALA A 2 -9.753 12.678 -2.851 1.00 0.00 C ATOM 22 C ALA A 2 -9.375 11.382 -3.561 1.00 0.00 C ATOM 23 O ALA A 2 -10.086 10.381 -3.476 1.00 0.00 O ATOM 24 CB ALA A 2 -8.577 13.135 -1.986 1.00 0.00 C ATOM 0 H ALA A 2 -10.800 11.908 -1.198 1.00 0.00 H new ATOM 0 HA ALA A 2 -9.977 13.446 -3.591 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.697 13.278 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -8.830 14.075 -1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.365 12.378 -1.231 1.00 0.00 H new ATOM 30 N THR A 3 -8.245 11.415 -4.263 1.00 0.00 N ATOM 31 CA THR A 3 -7.775 10.238 -4.987 1.00 0.00 C ATOM 32 C THR A 3 -6.379 9.845 -4.511 1.00 0.00 C ATOM 33 O THR A 3 -5.408 10.570 -4.724 1.00 0.00 O ATOM 34 CB THR A 3 -7.730 10.517 -6.492 1.00 0.00 C ATOM 35 OG1 THR A 3 -8.887 11.250 -6.870 1.00 0.00 O ATOM 36 CG2 THR A 3 -7.689 9.194 -7.259 1.00 0.00 C ATOM 0 H THR A 3 -7.644 12.235 -4.346 1.00 0.00 H new ATOM 0 HA THR A 3 -8.470 9.421 -4.792 1.00 0.00 H new ATOM 0 HB THR A 3 -6.838 11.097 -6.727 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.859 11.431 -7.833 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.657 9.395 -8.330 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.801 8.632 -6.969 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.580 8.611 -7.026 1.00 0.00 H new ATOM 44 N LEU A 4 -6.292 8.688 -3.861 1.00 0.00 N ATOM 45 CA LEU A 4 -5.011 8.203 -3.355 1.00 0.00 C ATOM 46 C LEU A 4 -4.800 6.743 -3.744 1.00 0.00 C ATOM 47 O LEU A 4 -5.636 6.139 -4.417 1.00 0.00 O ATOM 48 CB LEU A 4 -4.959 8.322 -1.831 1.00 0.00 C ATOM 49 CG LEU A 4 -4.796 9.791 -1.438 1.00 0.00 C ATOM 50 CD1 LEU A 4 -6.174 10.415 -1.209 1.00 0.00 C ATOM 51 CD2 LEU A 4 -3.974 9.886 -0.152 1.00 0.00 C ATOM 0 H LEU A 4 -7.084 8.074 -3.673 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.224 8.814 -3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.871 7.917 -1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.129 7.735 -1.438 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.284 10.326 -2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.057 11.462 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.761 10.348 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.687 9.881 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.857 10.933 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.486 9.351 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.992 9.442 -0.314 1.00 0.00 H new ATOM 63 N LEU A 5 -3.674 6.183 -3.312 1.00 0.00 N ATOM 64 CA LEU A 5 -3.360 4.790 -3.620 1.00 0.00 C ATOM 65 C LEU A 5 -3.862 3.880 -2.510 1.00 0.00 C ATOM 66 O LEU A 5 -3.108 3.123 -1.901 1.00 0.00 O ATOM 67 CB LEU A 5 -1.846 4.611 -3.796 1.00 0.00 C ATOM 68 CG LEU A 5 -1.475 4.746 -5.279 1.00 0.00 C ATOM 69 CD1 LEU A 5 -2.114 3.603 -6.071 1.00 0.00 C ATOM 70 CD2 LEU A 5 -1.980 6.091 -5.825 1.00 0.00 C ATOM 0 H LEU A 5 -2.970 6.665 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.858 4.521 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.312 5.358 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.540 3.634 -3.423 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.391 4.702 -5.382 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.851 3.699 -7.124 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.749 2.649 -5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.198 3.647 -5.963 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.713 6.180 -6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.064 6.143 -5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.522 6.906 -5.265 1.00 0.00 H new ATOM 82 N THR A 6 -5.159 3.971 -2.260 1.00 0.00 N ATOM 83 CA THR A 6 -5.788 3.162 -1.221 1.00 0.00 C ATOM 84 C THR A 6 -5.869 1.701 -1.658 1.00 0.00 C ATOM 85 O THR A 6 -5.626 1.370 -2.818 1.00 0.00 O ATOM 86 CB THR A 6 -7.199 3.684 -0.918 1.00 0.00 C ATOM 87 OG1 THR A 6 -7.805 2.865 0.073 1.00 0.00 O ATOM 88 CG2 THR A 6 -8.052 3.660 -2.191 1.00 0.00 C ATOM 0 H THR A 6 -5.796 4.593 -2.758 1.00 0.00 H new ATOM 0 HA THR A 6 -5.179 3.232 -0.320 1.00 0.00 H new ATOM 0 HB THR A 6 -7.129 4.709 -0.554 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.705 3.199 0.268 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.052 4.032 -1.966 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.591 4.293 -2.950 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.121 2.638 -2.564 1.00 0.00 H new ATOM 96 N THR A 7 -6.214 0.829 -0.709 1.00 0.00 N ATOM 97 CA THR A 7 -6.333 -0.605 -0.990 1.00 0.00 C ATOM 98 C THR A 7 -7.240 -0.850 -2.198 1.00 0.00 C ATOM 99 O THR A 7 -7.001 -1.752 -3.002 1.00 0.00 O ATOM 100 CB THR A 7 -6.910 -1.333 0.229 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.094 -1.071 1.362 1.00 0.00 O ATOM 102 CG2 THR A 7 -6.948 -2.839 -0.033 1.00 0.00 C ATOM 0 H THR A 7 -6.415 1.088 0.257 1.00 0.00 H new ATOM 0 HA THR A 7 -5.337 -0.990 -1.212 1.00 0.00 H new ATOM 0 HB THR A 7 -7.923 -0.977 0.414 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.461 -1.534 2.144 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.359 -3.350 0.838 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.574 -3.041 -0.902 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.937 -3.201 -0.222 1.00 0.00 H new ATOM 110 N ASP A 8 -8.282 -0.028 -2.314 1.00 0.00 N ATOM 111 CA ASP A 8 -9.228 -0.145 -3.430 1.00 0.00 C ATOM 112 C ASP A 8 -8.481 -0.104 -4.762 1.00 0.00 C ATOM 113 O ASP A 8 -8.714 -0.927 -5.648 1.00 0.00 O ATOM 114 CB ASP A 8 -10.246 0.995 -3.394 1.00 0.00 C ATOM 115 CG ASP A 8 -11.417 0.663 -4.312 1.00 0.00 C ATOM 116 OD1 ASP A 8 -11.235 0.720 -5.517 1.00 0.00 O ATOM 117 OD2 ASP A 8 -12.480 0.356 -3.797 1.00 0.00 O ATOM 0 H ASP A 8 -8.494 0.722 -1.656 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.750 -1.097 -3.332 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.601 1.147 -2.375 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -9.776 1.926 -3.710 1.00 0.00 H new ATOM 122 N ASP A 9 -7.568 0.855 -4.880 1.00 0.00 N ATOM 123 CA ASP A 9 -6.770 0.990 -6.094 1.00 0.00 C ATOM 124 C ASP A 9 -5.870 -0.234 -6.259 1.00 0.00 C ATOM 125 O ASP A 9 -5.563 -0.651 -7.374 1.00 0.00 O ATOM 126 CB ASP A 9 -5.899 2.247 -6.031 1.00 0.00 C ATOM 127 CG ASP A 9 -5.476 2.646 -7.440 1.00 0.00 C ATOM 128 OD1 ASP A 9 -6.213 3.387 -8.070 1.00 0.00 O ATOM 129 OD2 ASP A 9 -4.424 2.203 -7.869 1.00 0.00 O ATOM 0 H ASP A 9 -7.363 1.545 -4.157 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.448 1.070 -6.943 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.451 3.061 -5.562 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.019 2.062 -5.415 1.00 0.00 H new ATOM 134 N LEU A 10 -5.455 -0.804 -5.124 1.00 0.00 N ATOM 135 CA LEU A 10 -4.593 -1.989 -5.126 1.00 0.00 C ATOM 136 C LEU A 10 -5.203 -3.107 -5.976 1.00 0.00 C ATOM 137 O LEU A 10 -4.564 -3.640 -6.885 1.00 0.00 O ATOM 138 CB LEU A 10 -4.415 -2.499 -3.691 1.00 0.00 C ATOM 139 CG LEU A 10 -2.989 -3.014 -3.489 1.00 0.00 C ATOM 140 CD1 LEU A 10 -2.740 -3.238 -1.996 1.00 0.00 C ATOM 141 CD2 LEU A 10 -2.814 -4.339 -4.231 1.00 0.00 C ATOM 0 H LEU A 10 -5.701 -0.465 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.629 -1.708 -5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.624 -1.697 -2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.130 -3.297 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.280 -2.282 -3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.725 -3.605 -1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.868 -2.297 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.450 -3.972 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.798 -4.705 -4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.522 -5.070 -3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.997 -4.187 -5.295 1.00 0.00 H new ATOM 153 N ARG A 11 -6.447 -3.456 -5.659 1.00 0.00 N ATOM 154 CA ARG A 11 -7.148 -4.513 -6.383 1.00 0.00 C ATOM 155 C ARG A 11 -7.374 -4.114 -7.838 1.00 0.00 C ATOM 156 O ARG A 11 -7.160 -4.904 -8.754 1.00 0.00 O ATOM 157 CB ARG A 11 -8.506 -4.789 -5.724 1.00 0.00 C ATOM 158 CG ARG A 11 -8.777 -6.296 -5.705 1.00 0.00 C ATOM 159 CD ARG A 11 -10.278 -6.547 -5.863 1.00 0.00 C ATOM 160 NE ARG A 11 -10.724 -6.184 -7.206 1.00 0.00 N ATOM 161 CZ ARG A 11 -11.924 -6.548 -7.649 1.00 0.00 C ATOM 162 NH1 ARG A 11 -12.993 -6.236 -6.970 1.00 0.00 N ATOM 163 NH2 ARG A 11 -12.032 -7.216 -8.765 1.00 0.00 N ATOM 0 H ARG A 11 -6.988 -3.025 -4.910 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.531 -5.411 -6.351 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.514 -4.396 -4.707 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.297 -4.275 -6.270 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.229 -6.785 -6.511 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.422 -6.728 -4.770 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.498 -7.598 -5.673 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.829 -5.967 -5.122 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.107 -5.644 -7.812 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.909 -5.712 -6.099 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.913 -6.515 -7.310 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.196 -7.459 -9.297 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.952 -7.495 -9.105 1.00 0.00 H new ATOM 177 N ARG A 12 -7.824 -2.879 -8.032 1.00 0.00 N ATOM 178 CA ARG A 12 -8.094 -2.370 -9.378 1.00 0.00 C ATOM 179 C ARG A 12 -6.855 -2.459 -10.272 1.00 0.00 C ATOM 180 O ARG A 12 -6.964 -2.491 -11.497 1.00 0.00 O ATOM 181 CB ARG A 12 -8.552 -0.911 -9.312 1.00 0.00 C ATOM 182 CG ARG A 12 -10.077 -0.860 -9.186 1.00 0.00 C ATOM 183 CD ARG A 12 -10.553 0.588 -9.325 1.00 0.00 C ATOM 184 NE ARG A 12 -11.853 0.640 -9.986 1.00 0.00 N ATOM 185 CZ ARG A 12 -11.946 0.728 -11.310 1.00 0.00 C ATOM 186 NH1 ARG A 12 -11.509 1.791 -11.926 1.00 0.00 N ATOM 187 NH2 ARG A 12 -12.476 -0.251 -11.992 1.00 0.00 N ATOM 0 H ARG A 12 -8.009 -2.213 -7.282 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.881 -2.990 -9.807 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.089 -0.412 -8.461 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.232 -0.377 -10.207 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.537 -1.481 -9.955 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.387 -1.265 -8.222 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.621 1.050 -8.340 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.825 1.163 -9.897 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.704 0.608 -9.424 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.095 2.556 -11.393 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.581 1.858 -12.941 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.818 -1.082 -11.510 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.548 -0.185 -13.007 1.00 0.00 H new ATOM 201 N ALA A 13 -5.677 -2.492 -9.654 1.00 0.00 N ATOM 202 CA ALA A 13 -4.434 -2.568 -10.417 1.00 0.00 C ATOM 203 C ALA A 13 -4.135 -4.010 -10.816 1.00 0.00 C ATOM 204 O ALA A 13 -3.930 -4.315 -11.991 1.00 0.00 O ATOM 205 CB ALA A 13 -3.266 -2.027 -9.591 1.00 0.00 C ATOM 0 H ALA A 13 -5.557 -2.468 -8.641 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.556 -1.963 -11.315 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.347 -2.091 -10.174 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.457 -0.987 -9.328 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.160 -2.617 -8.681 1.00 0.00 H new ATOM 211 N LEU A 14 -4.111 -4.893 -9.821 1.00 0.00 N ATOM 212 CA LEU A 14 -3.833 -6.306 -10.072 1.00 0.00 C ATOM 213 C LEU A 14 -4.855 -6.916 -11.036 1.00 0.00 C ATOM 214 O LEU A 14 -4.605 -7.958 -11.640 1.00 0.00 O ATOM 215 CB LEU A 14 -3.858 -7.094 -8.760 1.00 0.00 C ATOM 216 CG LEU A 14 -2.482 -7.020 -8.095 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.650 -6.985 -6.574 1.00 0.00 C ATOM 218 CD2 LEU A 14 -1.656 -8.248 -8.488 1.00 0.00 C ATOM 0 H LEU A 14 -4.279 -4.659 -8.842 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.843 -6.367 -10.524 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.618 -6.687 -8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.126 -8.133 -8.952 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.969 -6.117 -8.425 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.670 -6.932 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.236 -6.110 -6.293 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.164 -7.888 -6.244 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.676 -8.194 -8.014 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.169 -9.152 -8.160 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.534 -8.273 -9.571 1.00 0.00 H new ATOM 230 N VAL A 15 -6.011 -6.265 -11.172 1.00 0.00 N ATOM 231 CA VAL A 15 -7.053 -6.769 -12.064 1.00 0.00 C ATOM 232 C VAL A 15 -6.862 -6.215 -13.476 1.00 0.00 C ATOM 233 O VAL A 15 -7.219 -6.859 -14.463 1.00 0.00 O ATOM 234 CB VAL A 15 -8.440 -6.368 -11.549 1.00 0.00 C ATOM 235 CG1 VAL A 15 -9.522 -7.018 -12.415 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.602 -6.838 -10.099 1.00 0.00 C ATOM 0 H VAL A 15 -6.246 -5.401 -10.684 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.978 -7.856 -12.090 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.541 -5.284 -11.597 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.506 -6.730 -12.045 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.411 -6.685 -13.447 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.421 -8.102 -12.371 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.588 -6.553 -9.732 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.497 -7.922 -10.054 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.836 -6.373 -9.478 1.00 0.00 H new ATOM 246 N GLU A 16 -6.295 -5.014 -13.562 1.00 0.00 N ATOM 247 CA GLU A 16 -6.063 -4.377 -14.859 1.00 0.00 C ATOM 248 C GLU A 16 -5.200 -5.263 -15.757 1.00 0.00 C ATOM 249 O GLU A 16 -5.316 -5.227 -16.982 1.00 0.00 O ATOM 250 CB GLU A 16 -5.364 -3.030 -14.675 1.00 0.00 C ATOM 251 CG GLU A 16 -5.816 -2.065 -15.771 1.00 0.00 C ATOM 252 CD GLU A 16 -5.060 -0.748 -15.635 1.00 0.00 C ATOM 253 OE1 GLU A 16 -5.140 -0.148 -14.575 1.00 0.00 O ATOM 254 OE2 GLU A 16 -4.411 -0.358 -16.592 1.00 0.00 O ATOM 0 H GLU A 16 -5.990 -4.465 -12.758 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.034 -4.227 -15.330 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.599 -2.618 -13.694 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.283 -3.161 -14.715 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.633 -2.502 -16.753 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.889 -1.890 -15.696 1.00 0.00 H new ATOM 261 N CYS A 17 -4.333 -6.058 -15.136 1.00 0.00 N ATOM 262 CA CYS A 17 -3.455 -6.947 -15.894 1.00 0.00 C ATOM 263 C CYS A 17 -4.268 -8.039 -16.583 1.00 0.00 C ATOM 264 O CYS A 17 -4.388 -8.064 -17.809 1.00 0.00 O ATOM 265 CB CYS A 17 -2.426 -7.599 -14.971 1.00 0.00 C ATOM 266 SG CYS A 17 -1.107 -6.416 -14.604 1.00 0.00 S ATOM 0 H CYS A 17 -4.219 -6.106 -14.124 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.939 -6.349 -16.645 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.905 -7.924 -14.047 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.010 -8.488 -15.444 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.233 -6.971 -13.817 1.00 0.00 H new ATOM 272 N ALA A 18 -4.824 -8.943 -15.781 1.00 0.00 N ATOM 273 CA ALA A 18 -5.624 -10.038 -16.323 1.00 0.00 C ATOM 274 C ALA A 18 -6.985 -9.526 -16.789 1.00 0.00 C ATOM 275 O ALA A 18 -7.280 -9.504 -17.985 1.00 0.00 O ATOM 276 CB ALA A 18 -5.829 -11.128 -15.265 1.00 0.00 C ATOM 0 H ALA A 18 -4.737 -8.940 -14.765 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.087 -10.459 -17.173 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.427 -11.936 -15.686 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.861 -11.518 -14.952 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.345 -10.706 -14.403 1.00 0.00 H new ATOM 282 N GLY A 19 -7.811 -9.114 -15.830 1.00 0.00 N ATOM 283 CA GLY A 19 -9.141 -8.601 -16.153 1.00 0.00 C ATOM 284 C GLY A 19 -10.197 -9.217 -15.242 1.00 0.00 C ATOM 285 O GLY A 19 -10.722 -8.560 -14.342 1.00 0.00 O ATOM 0 H GLY A 19 -7.587 -9.124 -14.835 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.152 -7.516 -16.048 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.378 -8.823 -17.193 1.00 0.00 H new ATOM 289 N GLU A 20 -10.504 -10.488 -15.484 1.00 0.00 N ATOM 290 CA GLU A 20 -11.502 -11.190 -14.681 1.00 0.00 C ATOM 291 C GLU A 20 -11.318 -12.700 -14.802 1.00 0.00 C ATOM 292 O GLU A 20 -10.831 -13.201 -15.815 1.00 0.00 O ATOM 293 CB GLU A 20 -12.916 -10.823 -15.134 1.00 0.00 C ATOM 294 CG GLU A 20 -13.063 -11.080 -16.636 1.00 0.00 C ATOM 295 CD GLU A 20 -13.576 -12.498 -16.863 1.00 0.00 C ATOM 296 OE1 GLU A 20 -14.625 -12.819 -16.331 1.00 0.00 O ATOM 297 OE2 GLU A 20 -12.912 -13.242 -17.567 1.00 0.00 O ATOM 0 H GLU A 20 -10.081 -11.050 -16.223 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.367 -10.888 -13.642 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.649 -11.411 -14.582 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.118 -9.775 -14.914 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.753 -10.358 -17.073 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.103 -10.945 -17.134 1.00 0.00 H new ATOM 304 N THR A 21 -11.713 -13.419 -13.754 1.00 0.00 N ATOM 305 CA THR A 21 -11.595 -14.860 -13.742 1.00 0.00 C ATOM 306 C THR A 21 -12.942 -15.460 -13.303 1.00 0.00 C ATOM 307 O THR A 21 -13.996 -14.884 -13.572 1.00 0.00 O ATOM 308 CB THR A 21 -10.426 -15.259 -12.808 1.00 0.00 C ATOM 309 OG1 THR A 21 -10.039 -16.603 -13.064 1.00 0.00 O ATOM 310 CG2 THR A 21 -10.819 -15.100 -11.332 1.00 0.00 C ATOM 0 H THR A 21 -12.116 -13.020 -12.906 1.00 0.00 H new ATOM 0 HA THR A 21 -11.367 -15.253 -14.733 1.00 0.00 H new ATOM 0 HB THR A 21 -9.586 -14.595 -13.010 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.298 -16.849 -12.471 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.979 -15.387 -10.699 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.083 -14.061 -11.136 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.674 -15.739 -11.112 1.00 0.00 H new ATOM 318 N ASP A 22 -12.908 -16.599 -12.625 1.00 0.00 N ATOM 319 CA ASP A 22 -14.138 -17.231 -12.159 1.00 0.00 C ATOM 320 C ASP A 22 -14.345 -16.945 -10.675 1.00 0.00 C ATOM 321 O ASP A 22 -14.970 -17.728 -9.959 1.00 0.00 O ATOM 322 CB ASP A 22 -14.081 -18.745 -12.373 1.00 0.00 C ATOM 323 CG ASP A 22 -12.814 -19.302 -11.732 1.00 0.00 C ATOM 324 OD1 ASP A 22 -12.719 -19.256 -10.516 1.00 0.00 O ATOM 325 OD2 ASP A 22 -11.958 -19.769 -12.466 1.00 0.00 O ATOM 0 H ASP A 22 -12.053 -17.101 -12.387 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.969 -16.819 -12.732 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.960 -19.218 -11.936 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.093 -18.973 -13.439 1.00 0.00 H new ATOM 330 N GLY A 23 -13.809 -15.813 -10.217 1.00 0.00 N ATOM 331 CA GLY A 23 -13.937 -15.436 -8.814 1.00 0.00 C ATOM 332 C GLY A 23 -12.646 -14.801 -8.316 1.00 0.00 C ATOM 333 O GLY A 23 -11.555 -15.333 -8.523 1.00 0.00 O ATOM 0 H GLY A 23 -13.289 -15.150 -10.791 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.764 -14.737 -8.693 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.172 -16.315 -8.214 1.00 0.00 H new ATOM 337 N THR A 24 -12.780 -13.654 -7.658 1.00 0.00 N ATOM 338 CA THR A 24 -11.615 -12.943 -7.134 1.00 0.00 C ATOM 339 C THR A 24 -10.823 -13.847 -6.163 1.00 0.00 C ATOM 340 O THR A 24 -10.026 -14.675 -6.603 1.00 0.00 O ATOM 341 CB THR A 24 -12.057 -11.630 -6.454 1.00 0.00 C ATOM 342 OG1 THR A 24 -12.666 -10.786 -7.420 1.00 0.00 O ATOM 343 CG2 THR A 24 -10.847 -10.912 -5.843 1.00 0.00 C ATOM 0 H THR A 24 -13.674 -13.199 -7.475 1.00 0.00 H new ATOM 0 HA THR A 24 -10.952 -12.687 -7.960 1.00 0.00 H new ATOM 0 HB THR A 24 -12.767 -11.863 -5.660 1.00 0.00 H new ATOM 0 HG1 THR A 24 -12.950 -9.951 -6.992 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.175 -9.988 -5.367 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.379 -11.557 -5.099 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.127 -10.681 -6.628 1.00 0.00 H new ATOM 351 N ASP A 25 -11.037 -13.692 -4.851 1.00 0.00 N ATOM 352 CA ASP A 25 -10.321 -14.512 -3.880 1.00 0.00 C ATOM 353 C ASP A 25 -11.146 -14.690 -2.617 1.00 0.00 C ATOM 354 O ASP A 25 -11.511 -15.802 -2.237 1.00 0.00 O ATOM 355 CB ASP A 25 -8.983 -13.867 -3.519 1.00 0.00 C ATOM 356 CG ASP A 25 -7.959 -14.173 -4.606 1.00 0.00 C ATOM 357 OD1 ASP A 25 -7.972 -13.486 -5.615 1.00 0.00 O ATOM 358 OD2 ASP A 25 -7.176 -15.089 -4.416 1.00 0.00 O ATOM 0 H ASP A 25 -11.688 -13.019 -4.448 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.142 -15.488 -4.332 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.104 -12.789 -3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.633 -14.245 -2.558 1.00 0.00 H new ATOM 363 N LEU A 26 -11.421 -13.571 -1.971 1.00 0.00 N ATOM 364 CA LEU A 26 -12.195 -13.566 -0.738 1.00 0.00 C ATOM 365 C LEU A 26 -13.142 -12.362 -0.758 1.00 0.00 C ATOM 366 O LEU A 26 -13.436 -11.812 -1.820 1.00 0.00 O ATOM 367 CB LEU A 26 -11.281 -13.500 0.519 1.00 0.00 C ATOM 368 CG LEU A 26 -9.804 -13.736 0.166 1.00 0.00 C ATOM 369 CD1 LEU A 26 -9.211 -12.450 -0.414 1.00 0.00 C ATOM 370 CD2 LEU A 26 -9.036 -14.129 1.430 1.00 0.00 C ATOM 0 H LEU A 26 -11.119 -12.647 -2.281 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.760 -14.496 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.389 -12.526 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.605 -14.247 1.243 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.726 -14.537 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.163 -12.614 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.760 -12.169 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.287 -11.650 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.988 -14.297 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.111 -13.328 2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.461 -15.043 1.845 1.00 0.00 H new ATOM 382 N SER A 27 -13.613 -11.955 0.414 1.00 0.00 N ATOM 383 CA SER A 27 -14.519 -10.814 0.508 1.00 0.00 C ATOM 384 C SER A 27 -13.898 -9.698 1.345 1.00 0.00 C ATOM 385 O SER A 27 -14.606 -8.922 1.988 1.00 0.00 O ATOM 386 CB SER A 27 -15.844 -11.237 1.145 1.00 0.00 C ATOM 387 OG SER A 27 -16.608 -11.970 0.196 1.00 0.00 O ATOM 0 H SER A 27 -13.386 -12.393 1.307 1.00 0.00 H new ATOM 0 HA SER A 27 -14.700 -10.447 -0.502 1.00 0.00 H new ATOM 0 HB2 SER A 27 -15.658 -11.847 2.029 1.00 0.00 H new ATOM 0 HB3 SER A 27 -16.399 -10.359 1.476 1.00 0.00 H new ATOM 0 HG SER A 27 -17.457 -12.244 0.601 1.00 0.00 H new ATOM 393 N GLY A 28 -12.568 -9.619 1.328 1.00 0.00 N ATOM 394 CA GLY A 28 -11.866 -8.585 2.087 1.00 0.00 C ATOM 395 C GLY A 28 -10.734 -9.185 2.918 1.00 0.00 C ATOM 396 O GLY A 28 -10.761 -9.147 4.149 1.00 0.00 O ATOM 0 H GLY A 28 -11.961 -10.250 0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.463 -7.838 1.403 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.569 -8.070 2.742 1.00 0.00 H new ATOM 400 N ASP A 29 -9.734 -9.735 2.230 1.00 0.00 N ATOM 401 CA ASP A 29 -8.585 -10.339 2.909 1.00 0.00 C ATOM 402 C ASP A 29 -7.614 -10.915 1.874 1.00 0.00 C ATOM 403 O ASP A 29 -7.109 -12.029 2.015 1.00 0.00 O ATOM 404 CB ASP A 29 -9.048 -11.451 3.870 1.00 0.00 C ATOM 405 CG ASP A 29 -8.751 -11.048 5.313 1.00 0.00 C ATOM 406 OD1 ASP A 29 -7.637 -11.275 5.753 1.00 0.00 O ATOM 407 OD2 ASP A 29 -9.643 -10.517 5.955 1.00 0.00 O ATOM 0 H ASP A 29 -9.694 -9.776 1.212 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.078 -9.568 3.489 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.116 -11.630 3.746 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.539 -12.385 3.632 1.00 0.00 H new ATOM 412 N PHE A 30 -7.362 -10.135 0.827 1.00 0.00 N ATOM 413 CA PHE A 30 -6.455 -10.569 -0.238 1.00 0.00 C ATOM 414 C PHE A 30 -5.083 -9.918 -0.106 1.00 0.00 C ATOM 415 O PHE A 30 -4.333 -9.826 -1.078 1.00 0.00 O ATOM 416 CB PHE A 30 -7.032 -10.211 -1.609 1.00 0.00 C ATOM 417 CG PHE A 30 -7.434 -8.751 -1.639 1.00 0.00 C ATOM 418 CD1 PHE A 30 -6.457 -7.749 -1.722 1.00 0.00 C ATOM 419 CD2 PHE A 30 -8.788 -8.404 -1.583 1.00 0.00 C ATOM 420 CE1 PHE A 30 -6.837 -6.401 -1.751 1.00 0.00 C ATOM 421 CE2 PHE A 30 -9.167 -7.058 -1.612 1.00 0.00 C ATOM 422 CZ PHE A 30 -8.192 -6.056 -1.696 1.00 0.00 C ATOM 0 H PHE A 30 -7.767 -9.209 0.691 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.346 -11.650 -0.145 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.294 -10.409 -2.386 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.897 -10.839 -1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.411 -8.016 -1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.541 -9.176 -1.517 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.085 -5.629 -1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.213 -6.791 -1.570 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.486 -5.017 -1.718 1.00 0.00 H new ATOM 432 N LEU A 31 -4.753 -9.472 1.100 1.00 0.00 N ATOM 433 CA LEU A 31 -3.461 -8.833 1.326 1.00 0.00 C ATOM 434 C LEU A 31 -2.655 -9.592 2.376 1.00 0.00 C ATOM 435 O LEU A 31 -2.360 -9.083 3.458 1.00 0.00 O ATOM 436 CB LEU A 31 -3.656 -7.382 1.766 1.00 0.00 C ATOM 437 CG LEU A 31 -4.430 -6.632 0.679 1.00 0.00 C ATOM 438 CD1 LEU A 31 -4.753 -5.220 1.160 1.00 0.00 C ATOM 439 CD2 LEU A 31 -3.584 -6.549 -0.595 1.00 0.00 C ATOM 0 H LEU A 31 -5.350 -9.539 1.924 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.907 -8.849 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.200 -7.345 2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.690 -6.907 1.936 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.356 -7.167 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.304 -4.688 0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.360 -5.273 2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.826 -4.688 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.139 -6.014 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.656 -6.018 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.354 -7.555 -0.945 1.00 0.00 H new ATOM 451 N ASP A 32 -2.292 -10.822 2.025 1.00 0.00 N ATOM 452 CA ASP A 32 -1.507 -11.669 2.916 1.00 0.00 C ATOM 453 C ASP A 32 -0.412 -12.377 2.123 1.00 0.00 C ATOM 454 O ASP A 32 0.755 -12.387 2.516 1.00 0.00 O ATOM 455 CB ASP A 32 -2.396 -12.718 3.588 1.00 0.00 C ATOM 456 CG ASP A 32 -3.402 -12.023 4.500 1.00 0.00 C ATOM 457 OD1 ASP A 32 -3.035 -11.703 5.619 1.00 0.00 O ATOM 458 OD2 ASP A 32 -4.524 -11.821 4.066 1.00 0.00 O ATOM 0 H ASP A 32 -2.528 -11.254 1.132 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.061 -11.037 3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.919 -13.305 2.833 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.785 -13.412 4.165 1.00 0.00 H new ATOM 463 N LEU A 33 -0.807 -12.963 0.995 1.00 0.00 N ATOM 464 CA LEU A 33 0.137 -13.668 0.135 1.00 0.00 C ATOM 465 C LEU A 33 -0.405 -13.724 -1.292 1.00 0.00 C ATOM 466 O LEU A 33 -0.264 -14.728 -1.992 1.00 0.00 O ATOM 467 CB LEU A 33 0.368 -15.093 0.645 1.00 0.00 C ATOM 468 CG LEU A 33 -0.975 -15.813 0.779 1.00 0.00 C ATOM 469 CD1 LEU A 33 -0.784 -17.303 0.489 1.00 0.00 C ATOM 470 CD2 LEU A 33 -1.511 -15.634 2.202 1.00 0.00 C ATOM 0 H LEU A 33 -1.770 -12.963 0.657 1.00 0.00 H new ATOM 0 HA LEU A 33 1.084 -13.129 0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.016 -15.636 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.876 -15.067 1.609 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.686 -15.392 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.740 -17.818 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.402 -17.431 -0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.073 -17.724 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.468 -16.147 2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.801 -16.055 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.646 -14.572 2.409 1.00 0.00 H new ATOM 482 N ARG A 34 -1.036 -12.628 -1.710 1.00 0.00 N ATOM 483 CA ARG A 34 -1.616 -12.546 -3.051 1.00 0.00 C ATOM 484 C ARG A 34 -0.551 -12.760 -4.124 1.00 0.00 C ATOM 485 O ARG A 34 -0.665 -13.655 -4.959 1.00 0.00 O ATOM 486 CB ARG A 34 -2.272 -11.180 -3.264 1.00 0.00 C ATOM 487 CG ARG A 34 -3.184 -11.232 -4.494 1.00 0.00 C ATOM 488 CD ARG A 34 -4.423 -10.362 -4.258 1.00 0.00 C ATOM 489 NE ARG A 34 -4.761 -9.610 -5.464 1.00 0.00 N ATOM 490 CZ ARG A 34 -5.379 -10.196 -6.486 1.00 0.00 C ATOM 491 NH1 ARG A 34 -4.688 -10.852 -7.377 1.00 0.00 N ATOM 492 NH2 ARG A 34 -6.677 -10.112 -6.598 1.00 0.00 N ATOM 0 H ARG A 34 -1.159 -11.789 -1.144 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.367 -13.332 -3.135 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.850 -10.902 -2.382 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.507 -10.415 -3.398 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.644 -10.881 -5.374 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.483 -12.261 -4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.265 -10.990 -3.967 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.239 -9.673 -3.433 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.520 -8.621 -5.523 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.674 -10.916 -7.290 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.162 -11.301 -8.161 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.217 -9.597 -5.902 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.151 -10.561 -7.381 1.00 0.00 H new ATOM 506 N PHE A 35 0.487 -11.923 -4.098 1.00 0.00 N ATOM 507 CA PHE A 35 1.571 -12.022 -5.082 1.00 0.00 C ATOM 508 C PHE A 35 2.138 -13.442 -5.134 1.00 0.00 C ATOM 509 O PHE A 35 2.368 -13.994 -6.209 1.00 0.00 O ATOM 510 CB PHE A 35 2.702 -11.043 -4.731 1.00 0.00 C ATOM 511 CG PHE A 35 2.412 -9.661 -5.297 1.00 0.00 C ATOM 512 CD1 PHE A 35 1.107 -9.136 -5.273 1.00 0.00 C ATOM 513 CD2 PHE A 35 3.456 -8.896 -5.835 1.00 0.00 C ATOM 514 CE1 PHE A 35 0.856 -7.859 -5.787 1.00 0.00 C ATOM 515 CE2 PHE A 35 3.199 -7.618 -6.343 1.00 0.00 C ATOM 516 CZ PHE A 35 1.904 -7.101 -6.320 1.00 0.00 C ATOM 0 H PHE A 35 0.602 -11.175 -3.414 1.00 0.00 H new ATOM 0 HA PHE A 35 1.156 -11.770 -6.058 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.814 -10.982 -3.648 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.647 -11.413 -5.129 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.298 -9.719 -4.858 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.460 -9.294 -5.857 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.147 -7.459 -5.772 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.006 -7.030 -6.754 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.710 -6.114 -6.714 1.00 0.00 H new ATOM 526 N GLU A 36 2.353 -14.024 -3.958 1.00 0.00 N ATOM 527 CA GLU A 36 2.886 -15.381 -3.879 1.00 0.00 C ATOM 528 C GLU A 36 1.760 -16.381 -3.604 1.00 0.00 C ATOM 529 O GLU A 36 1.630 -16.905 -2.497 1.00 0.00 O ATOM 530 CB GLU A 36 3.932 -15.478 -2.764 1.00 0.00 C ATOM 531 CG GLU A 36 5.115 -14.565 -3.092 1.00 0.00 C ATOM 532 CD GLU A 36 6.000 -15.233 -4.137 1.00 0.00 C ATOM 533 OE1 GLU A 36 5.553 -15.369 -5.264 1.00 0.00 O ATOM 534 OE2 GLU A 36 7.112 -15.599 -3.796 1.00 0.00 O ATOM 0 H GLU A 36 2.169 -13.584 -3.056 1.00 0.00 H new ATOM 0 HA GLU A 36 3.354 -15.619 -4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.490 -15.190 -1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.272 -16.508 -2.659 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.755 -13.606 -3.465 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.691 -14.361 -2.190 1.00 0.00 H new ATOM 541 N ASP A 37 0.946 -16.641 -4.626 1.00 0.00 N ATOM 542 CA ASP A 37 -0.164 -17.580 -4.478 1.00 0.00 C ATOM 543 C ASP A 37 -0.906 -17.758 -5.804 1.00 0.00 C ATOM 544 O ASP A 37 -0.858 -18.824 -6.417 1.00 0.00 O ATOM 545 CB ASP A 37 -1.147 -17.085 -3.411 1.00 0.00 C ATOM 546 CG ASP A 37 -2.211 -18.150 -3.154 1.00 0.00 C ATOM 547 OD1 ASP A 37 -3.015 -18.382 -4.042 1.00 0.00 O ATOM 548 OD2 ASP A 37 -2.205 -18.716 -2.074 1.00 0.00 O ATOM 0 H ASP A 37 1.032 -16.222 -5.552 1.00 0.00 H new ATOM 0 HA ASP A 37 0.251 -18.540 -4.171 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.613 -16.861 -2.487 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.618 -16.159 -3.739 1.00 0.00 H new ATOM 553 N ILE A 38 -1.596 -16.706 -6.236 1.00 0.00 N ATOM 554 CA ILE A 38 -2.348 -16.764 -7.487 1.00 0.00 C ATOM 555 C ILE A 38 -1.403 -17.014 -8.663 1.00 0.00 C ATOM 556 O ILE A 38 -1.761 -17.677 -9.636 1.00 0.00 O ATOM 557 CB ILE A 38 -3.127 -15.455 -7.704 1.00 0.00 C ATOM 558 CG1 ILE A 38 -3.977 -15.561 -8.977 1.00 0.00 C ATOM 559 CG2 ILE A 38 -2.156 -14.278 -7.838 1.00 0.00 C ATOM 560 CD1 ILE A 38 -5.005 -14.429 -8.996 1.00 0.00 C ATOM 0 H ILE A 38 -1.651 -15.813 -5.746 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.058 -17.588 -7.426 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.776 -15.287 -6.845 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.339 -15.503 -9.859 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.482 -16.526 -9.011 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.719 -13.357 -7.991 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.561 -14.192 -6.929 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.496 -14.446 -8.689 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.610 -14.502 -9.900 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.649 -14.508 -8.120 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.489 -13.469 -8.982 1.00 0.00 H new ATOM 572 N GLY A 39 -0.191 -16.478 -8.557 1.00 0.00 N ATOM 573 CA GLY A 39 0.801 -16.650 -9.614 1.00 0.00 C ATOM 574 C GLY A 39 1.263 -15.301 -10.156 1.00 0.00 C ATOM 575 O GLY A 39 1.424 -15.124 -11.364 1.00 0.00 O ATOM 0 H GLY A 39 0.126 -15.927 -7.760 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.657 -17.203 -9.227 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.376 -17.245 -10.423 1.00 0.00 H new ATOM 579 N TYR A 40 1.479 -14.353 -9.249 1.00 0.00 N ATOM 580 CA TYR A 40 1.931 -13.023 -9.647 1.00 0.00 C ATOM 581 C TYR A 40 3.428 -12.881 -9.381 1.00 0.00 C ATOM 582 O TYR A 40 3.845 -12.248 -8.412 1.00 0.00 O ATOM 583 CB TYR A 40 1.164 -11.935 -8.875 1.00 0.00 C ATOM 584 CG TYR A 40 0.187 -11.242 -9.798 1.00 0.00 C ATOM 585 CD1 TYR A 40 -1.049 -11.836 -10.085 1.00 0.00 C ATOM 586 CD2 TYR A 40 0.519 -10.008 -10.368 1.00 0.00 C ATOM 587 CE1 TYR A 40 -1.951 -11.193 -10.941 1.00 0.00 C ATOM 588 CE2 TYR A 40 -0.383 -9.366 -11.223 1.00 0.00 C ATOM 589 CZ TYR A 40 -1.619 -9.958 -11.511 1.00 0.00 C ATOM 590 OH TYR A 40 -2.508 -9.325 -12.354 1.00 0.00 O ATOM 0 H TYR A 40 1.350 -14.478 -8.245 1.00 0.00 H new ATOM 0 HA TYR A 40 1.737 -12.898 -10.712 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.631 -12.380 -8.035 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.864 -11.209 -8.460 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.306 -12.789 -9.646 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.472 -9.551 -10.148 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.904 -11.650 -11.162 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.126 -8.413 -11.661 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.371 -9.223 -11.902 1.00 0.00 H new ATOM 600 N ASP A 41 4.232 -13.482 -10.256 1.00 0.00 N ATOM 601 CA ASP A 41 5.680 -13.420 -10.109 1.00 0.00 C ATOM 602 C ASP A 41 6.157 -11.975 -10.177 1.00 0.00 C ATOM 603 O ASP A 41 5.525 -11.121 -10.797 1.00 0.00 O ATOM 604 CB ASP A 41 6.382 -14.240 -11.198 1.00 0.00 C ATOM 605 CG ASP A 41 5.906 -13.797 -12.579 1.00 0.00 C ATOM 606 OD1 ASP A 41 4.830 -14.210 -12.976 1.00 0.00 O ATOM 607 OD2 ASP A 41 6.633 -13.061 -13.224 1.00 0.00 O ATOM 0 H ASP A 41 3.908 -14.011 -11.065 1.00 0.00 H new ATOM 0 HA ASP A 41 5.933 -13.842 -9.136 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.462 -14.114 -11.119 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.174 -15.301 -11.056 1.00 0.00 H new ATOM 612 N SER A 42 7.274 -11.717 -9.515 1.00 0.00 N ATOM 613 CA SER A 42 7.842 -10.372 -9.478 1.00 0.00 C ATOM 614 C SER A 42 8.231 -9.901 -10.877 1.00 0.00 C ATOM 615 O SER A 42 7.990 -8.754 -11.246 1.00 0.00 O ATOM 616 CB SER A 42 9.081 -10.342 -8.583 1.00 0.00 C ATOM 617 OG SER A 42 9.881 -11.486 -8.852 1.00 0.00 O ATOM 0 H SER A 42 7.806 -12.416 -8.997 1.00 0.00 H new ATOM 0 HA SER A 42 7.080 -9.704 -9.077 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.653 -9.432 -8.765 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.786 -10.329 -7.534 1.00 0.00 H new ATOM 0 HG SER A 42 10.678 -11.470 -8.281 1.00 0.00 H new ATOM 623 N LEU A 43 8.843 -10.796 -11.645 1.00 0.00 N ATOM 624 CA LEU A 43 9.274 -10.460 -13.004 1.00 0.00 C ATOM 625 C LEU A 43 8.089 -10.051 -13.887 1.00 0.00 C ATOM 626 O LEU A 43 8.271 -9.427 -14.932 1.00 0.00 O ATOM 627 CB LEU A 43 9.977 -11.660 -13.646 1.00 0.00 C ATOM 628 CG LEU A 43 11.119 -11.174 -14.542 1.00 0.00 C ATOM 629 CD1 LEU A 43 12.066 -12.337 -14.837 1.00 0.00 C ATOM 630 CD2 LEU A 43 10.544 -10.639 -15.858 1.00 0.00 C ATOM 0 H LEU A 43 9.052 -11.752 -11.357 1.00 0.00 H new ATOM 0 HA LEU A 43 9.961 -9.617 -12.928 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.366 -12.322 -12.872 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.264 -12.240 -14.232 1.00 0.00 H new ATOM 0 HG LEU A 43 11.666 -10.380 -14.034 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.879 -11.991 -15.475 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.476 -12.719 -13.902 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.519 -13.132 -15.345 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.357 -10.293 -16.496 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.997 -11.433 -16.366 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.868 -9.810 -15.649 1.00 0.00 H new ATOM 642 N ALA A 44 6.878 -10.418 -13.472 1.00 0.00 N ATOM 643 CA ALA A 44 5.688 -10.091 -14.256 1.00 0.00 C ATOM 644 C ALA A 44 5.133 -8.722 -13.872 1.00 0.00 C ATOM 645 O ALA A 44 4.984 -7.838 -14.716 1.00 0.00 O ATOM 646 CB ALA A 44 4.603 -11.146 -14.034 1.00 0.00 C ATOM 0 H ALA A 44 6.695 -10.934 -12.611 1.00 0.00 H new ATOM 0 HA ALA A 44 5.980 -10.072 -15.306 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.722 -10.891 -14.623 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.976 -12.122 -14.343 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.336 -11.177 -12.978 1.00 0.00 H new ATOM 652 N LEU A 45 4.818 -8.560 -12.590 1.00 0.00 N ATOM 653 CA LEU A 45 4.264 -7.296 -12.100 1.00 0.00 C ATOM 654 C LEU A 45 5.289 -6.160 -12.151 1.00 0.00 C ATOM 655 O LEU A 45 4.941 -4.998 -11.950 1.00 0.00 O ATOM 656 CB LEU A 45 3.769 -7.454 -10.662 1.00 0.00 C ATOM 657 CG LEU A 45 4.917 -7.931 -9.763 1.00 0.00 C ATOM 658 CD1 LEU A 45 5.516 -6.741 -9.015 1.00 0.00 C ATOM 659 CD2 LEU A 45 4.381 -8.940 -8.746 1.00 0.00 C ATOM 0 H LEU A 45 4.934 -9.279 -11.876 1.00 0.00 H new ATOM 0 HA LEU A 45 3.433 -7.039 -12.757 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.380 -6.504 -10.296 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.947 -8.170 -10.628 1.00 0.00 H new ATOM 0 HG LEU A 45 5.684 -8.398 -10.380 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.331 -7.085 -8.378 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.898 -6.015 -9.733 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.747 -6.273 -8.400 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.196 -9.280 -8.107 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.613 -8.467 -8.134 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.952 -9.793 -9.271 1.00 0.00 H new ATOM 671 N MET A 46 6.552 -6.491 -12.415 1.00 0.00 N ATOM 672 CA MET A 46 7.597 -5.469 -12.479 1.00 0.00 C ATOM 673 C MET A 46 7.288 -4.445 -13.570 1.00 0.00 C ATOM 674 O MET A 46 7.634 -3.269 -13.453 1.00 0.00 O ATOM 675 CB MET A 46 8.954 -6.111 -12.774 1.00 0.00 C ATOM 676 CG MET A 46 10.073 -5.175 -12.316 1.00 0.00 C ATOM 677 SD MET A 46 11.625 -5.660 -13.109 1.00 0.00 S ATOM 678 CE MET A 46 12.742 -4.900 -11.904 1.00 0.00 C ATOM 0 H MET A 46 6.874 -7.444 -12.586 1.00 0.00 H new ATOM 0 HA MET A 46 7.630 -4.967 -11.512 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.034 -7.069 -12.260 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.048 -6.313 -13.841 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.828 -4.144 -12.572 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.177 -5.218 -11.232 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.775 -5.079 -12.202 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.557 -3.827 -11.863 1.00 0.00 H new ATOM 0 HE3 MET A 46 12.567 -5.336 -10.920 1.00 0.00 H new ATOM 688 N GLU A 47 6.636 -4.907 -14.634 1.00 0.00 N ATOM 689 CA GLU A 47 6.290 -4.023 -15.746 1.00 0.00 C ATOM 690 C GLU A 47 5.077 -3.162 -15.402 1.00 0.00 C ATOM 691 O GLU A 47 4.971 -2.015 -15.836 1.00 0.00 O ATOM 692 CB GLU A 47 5.982 -4.840 -17.002 1.00 0.00 C ATOM 693 CG GLU A 47 7.243 -5.581 -17.452 1.00 0.00 C ATOM 694 CD GLU A 47 6.898 -6.521 -18.601 1.00 0.00 C ATOM 695 OE1 GLU A 47 6.379 -6.043 -19.597 1.00 0.00 O ATOM 696 OE2 GLU A 47 7.156 -7.707 -18.468 1.00 0.00 O ATOM 0 H GLU A 47 6.339 -5.876 -14.751 1.00 0.00 H new ATOM 0 HA GLU A 47 7.146 -3.375 -15.932 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.182 -5.552 -16.798 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.630 -4.184 -17.798 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.004 -4.867 -17.768 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.662 -6.146 -16.619 1.00 0.00 H new ATOM 703 N THR A 48 4.161 -3.729 -14.621 1.00 0.00 N ATOM 704 CA THR A 48 2.956 -3.001 -14.228 1.00 0.00 C ATOM 705 C THR A 48 3.320 -1.756 -13.424 1.00 0.00 C ATOM 706 O THR A 48 2.843 -0.655 -13.704 1.00 0.00 O ATOM 707 CB THR A 48 2.043 -3.890 -13.382 1.00 0.00 C ATOM 708 OG1 THR A 48 1.879 -5.147 -14.024 1.00 0.00 O ATOM 709 CG2 THR A 48 0.679 -3.218 -13.218 1.00 0.00 C ATOM 0 H THR A 48 4.227 -4.677 -14.252 1.00 0.00 H new ATOM 0 HA THR A 48 2.433 -2.706 -15.138 1.00 0.00 H new ATOM 0 HB THR A 48 2.492 -4.039 -12.400 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.924 -5.344 -14.119 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.030 -3.853 -12.615 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.805 -2.255 -12.723 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.228 -3.066 -14.199 1.00 0.00 H new ATOM 717 N ALA A 49 4.170 -1.945 -12.420 1.00 0.00 N ATOM 718 CA ALA A 49 4.599 -0.835 -11.573 1.00 0.00 C ATOM 719 C ALA A 49 5.568 0.076 -12.322 1.00 0.00 C ATOM 720 O ALA A 49 5.658 1.270 -12.039 1.00 0.00 O ATOM 721 CB ALA A 49 5.285 -1.361 -10.312 1.00 0.00 C ATOM 0 H ALA A 49 4.574 -2.849 -12.173 1.00 0.00 H new ATOM 0 HA ALA A 49 3.712 -0.265 -11.297 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.599 -0.522 -9.691 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.589 -1.986 -9.753 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.157 -1.951 -10.592 1.00 0.00 H new ATOM 727 N ALA A 50 6.296 -0.498 -13.278 1.00 0.00 N ATOM 728 CA ALA A 50 7.258 0.279 -14.055 1.00 0.00 C ATOM 729 C ALA A 50 6.544 1.311 -14.925 1.00 0.00 C ATOM 730 O ALA A 50 7.082 2.382 -15.209 1.00 0.00 O ATOM 731 CB ALA A 50 8.086 -0.641 -14.956 1.00 0.00 C ATOM 0 H ALA A 50 6.240 -1.485 -13.531 1.00 0.00 H new ATOM 0 HA ALA A 50 7.915 0.792 -13.352 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.798 -0.046 -15.528 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.626 -1.362 -14.342 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.424 -1.172 -15.640 1.00 0.00 H new ATOM 737 N ARG A 51 5.326 0.978 -15.348 1.00 0.00 N ATOM 738 CA ARG A 51 4.548 1.885 -16.190 1.00 0.00 C ATOM 739 C ARG A 51 3.848 2.944 -15.342 1.00 0.00 C ATOM 740 O ARG A 51 3.946 4.140 -15.613 1.00 0.00 O ATOM 741 CB ARG A 51 3.495 1.107 -16.983 1.00 0.00 C ATOM 742 CG ARG A 51 3.180 1.852 -18.281 1.00 0.00 C ATOM 743 CD ARG A 51 1.939 1.241 -18.933 1.00 0.00 C ATOM 744 NE ARG A 51 2.304 0.095 -19.761 1.00 0.00 N ATOM 745 CZ ARG A 51 1.427 -0.455 -20.596 1.00 0.00 C ATOM 746 NH1 ARG A 51 0.529 -1.288 -20.144 1.00 0.00 N ATOM 747 NH2 ARG A 51 1.462 -0.161 -21.867 1.00 0.00 N ATOM 0 H ARG A 51 4.861 0.098 -15.125 1.00 0.00 H new ATOM 0 HA ARG A 51 5.238 2.373 -16.879 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.860 0.104 -17.206 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.589 0.991 -16.388 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.012 2.909 -18.074 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.029 1.792 -18.962 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.233 0.930 -18.163 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.435 1.991 -19.543 1.00 0.00 H new ATOM 0 HE ARG A 51 3.247 -0.290 -19.698 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.500 -1.517 -19.150 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.144 -1.710 -20.784 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.162 0.491 -22.221 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.789 -0.583 -22.507 1.00 0.00 H new ATOM 761 N LEU A 52 3.137 2.489 -14.314 1.00 0.00 N ATOM 762 CA LEU A 52 2.418 3.404 -13.429 1.00 0.00 C ATOM 763 C LEU A 52 3.380 4.323 -12.671 1.00 0.00 C ATOM 764 O LEU A 52 2.972 5.352 -12.133 1.00 0.00 O ATOM 765 CB LEU A 52 1.588 2.617 -12.412 1.00 0.00 C ATOM 766 CG LEU A 52 0.224 2.279 -13.016 1.00 0.00 C ATOM 767 CD1 LEU A 52 0.378 1.129 -14.013 1.00 0.00 C ATOM 768 CD2 LEU A 52 -0.735 1.859 -11.900 1.00 0.00 C ATOM 0 H LEU A 52 3.043 1.502 -14.074 1.00 0.00 H new ATOM 0 HA LEU A 52 1.766 4.013 -14.055 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.110 1.702 -12.132 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.459 3.202 -11.502 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.174 3.154 -13.530 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.594 0.888 -14.443 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.063 1.425 -14.807 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.775 0.253 -13.500 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.708 1.618 -12.328 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.336 0.983 -11.388 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.845 2.677 -11.188 1.00 0.00 H new ATOM 780 N GLU A 53 4.657 3.944 -12.623 1.00 0.00 N ATOM 781 CA GLU A 53 5.655 4.745 -11.917 1.00 0.00 C ATOM 782 C GLU A 53 5.720 6.172 -12.467 1.00 0.00 C ATOM 783 O GLU A 53 6.180 7.086 -11.786 1.00 0.00 O ATOM 784 CB GLU A 53 7.040 4.105 -12.041 1.00 0.00 C ATOM 785 CG GLU A 53 8.016 4.813 -11.098 1.00 0.00 C ATOM 786 CD GLU A 53 9.025 3.805 -10.559 1.00 0.00 C ATOM 787 OE1 GLU A 53 8.612 2.711 -10.211 1.00 0.00 O ATOM 788 OE2 GLU A 53 10.196 4.142 -10.500 1.00 0.00 O ATOM 0 H GLU A 53 5.021 3.097 -13.059 1.00 0.00 H new ATOM 0 HA GLU A 53 5.355 4.783 -10.870 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.985 3.044 -11.796 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.395 4.177 -13.069 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.533 5.614 -11.627 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.472 5.275 -10.274 1.00 0.00 H new ATOM 795 N SER A 54 5.265 6.356 -13.704 1.00 0.00 N ATOM 796 CA SER A 54 5.291 7.682 -14.318 1.00 0.00 C ATOM 797 C SER A 54 4.366 8.640 -13.577 1.00 0.00 C ATOM 798 O SER A 54 4.803 9.666 -13.052 1.00 0.00 O ATOM 799 CB SER A 54 4.860 7.603 -15.783 1.00 0.00 C ATOM 800 OG SER A 54 5.886 6.977 -16.541 1.00 0.00 O ATOM 0 H SER A 54 4.880 5.618 -14.293 1.00 0.00 H new ATOM 0 HA SER A 54 6.314 8.055 -14.260 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.931 7.039 -15.871 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.664 8.603 -16.171 1.00 0.00 H new ATOM 0 HG SER A 54 5.612 6.923 -17.480 1.00 0.00 H new ATOM 806 N ARG A 55 3.080 8.301 -13.538 1.00 0.00 N ATOM 807 CA ARG A 55 2.101 9.147 -12.858 1.00 0.00 C ATOM 808 C ARG A 55 2.449 9.298 -11.378 1.00 0.00 C ATOM 809 O ARG A 55 2.127 10.308 -10.751 1.00 0.00 O ATOM 810 CB ARG A 55 0.697 8.553 -12.986 1.00 0.00 C ATOM 811 CG ARG A 55 0.700 7.109 -12.482 1.00 0.00 C ATOM 812 CD ARG A 55 -0.741 6.651 -12.248 1.00 0.00 C ATOM 813 NE ARG A 55 -1.558 6.878 -13.438 1.00 0.00 N ATOM 814 CZ ARG A 55 -2.624 7.672 -13.395 1.00 0.00 C ATOM 815 NH1 ARG A 55 -2.487 8.960 -13.554 1.00 0.00 N ATOM 816 NH2 ARG A 55 -3.809 7.162 -13.195 1.00 0.00 N ATOM 0 H ARG A 55 2.694 7.458 -13.963 1.00 0.00 H new ATOM 0 HA ARG A 55 2.124 10.128 -13.332 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.013 9.147 -12.411 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.372 8.585 -14.026 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.187 6.459 -13.209 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.272 7.036 -11.557 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.753 5.592 -11.990 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.166 7.191 -11.402 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.307 6.421 -14.315 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.562 9.359 -13.712 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.305 9.568 -13.521 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.917 6.155 -13.072 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.627 7.770 -13.162 1.00 0.00 H new ATOM 830 N TYR A 56 3.110 8.283 -10.825 1.00 0.00 N ATOM 831 CA TYR A 56 3.495 8.319 -9.416 1.00 0.00 C ATOM 832 C TYR A 56 5.008 8.144 -9.274 1.00 0.00 C ATOM 833 O TYR A 56 5.486 7.314 -8.498 1.00 0.00 O ATOM 834 CB TYR A 56 2.778 7.211 -8.636 1.00 0.00 C ATOM 835 CG TYR A 56 1.293 7.497 -8.593 1.00 0.00 C ATOM 836 CD1 TYR A 56 0.829 8.739 -8.142 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.381 6.518 -9.005 1.00 0.00 C ATOM 838 CE1 TYR A 56 -0.546 9.001 -8.102 1.00 0.00 C ATOM 839 CE2 TYR A 56 -0.994 6.780 -8.965 1.00 0.00 C ATOM 840 CZ TYR A 56 -1.457 8.022 -8.514 1.00 0.00 C ATOM 841 OH TYR A 56 -2.812 8.280 -8.476 1.00 0.00 O ATOM 0 H TYR A 56 3.387 7.437 -11.323 1.00 0.00 H new ATOM 0 HA TYR A 56 3.205 9.287 -9.008 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.959 6.245 -9.108 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.176 7.150 -7.623 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.532 9.495 -7.825 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.738 5.560 -9.354 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.903 9.959 -7.753 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.697 6.024 -9.282 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.304 7.495 -8.797 1.00 0.00 H new ATOM 851 N GLY A 57 5.758 8.938 -10.034 1.00 0.00 N ATOM 852 CA GLY A 57 7.218 8.866 -9.988 1.00 0.00 C ATOM 853 C GLY A 57 7.786 9.826 -8.946 1.00 0.00 C ATOM 854 O GLY A 57 8.714 10.586 -9.225 1.00 0.00 O ATOM 0 H GLY A 57 5.386 9.632 -10.683 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.527 7.847 -9.754 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.628 9.106 -10.969 1.00 0.00 H new ATOM 858 N VAL A 58 7.224 9.781 -7.741 1.00 0.00 N ATOM 859 CA VAL A 58 7.684 10.644 -6.663 1.00 0.00 C ATOM 860 C VAL A 58 8.980 10.093 -6.066 1.00 0.00 C ATOM 861 O VAL A 58 9.922 10.836 -5.787 1.00 0.00 O ATOM 862 CB VAL A 58 6.602 10.750 -5.577 1.00 0.00 C ATOM 863 CG1 VAL A 58 6.347 9.381 -4.934 1.00 0.00 C ATOM 864 CG2 VAL A 58 7.052 11.738 -4.503 1.00 0.00 C ATOM 0 H VAL A 58 6.455 9.160 -7.490 1.00 0.00 H new ATOM 0 HA VAL A 58 7.878 11.639 -7.064 1.00 0.00 H new ATOM 0 HB VAL A 58 5.678 11.099 -6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.578 9.477 -4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.014 8.677 -5.697 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.268 9.015 -4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.284 11.813 -3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.983 11.390 -4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.211 12.718 -4.953 1.00 0.00 H new ATOM 874 N SER A 59 9.009 8.777 -5.880 1.00 0.00 N ATOM 875 CA SER A 59 10.186 8.117 -5.321 1.00 0.00 C ATOM 876 C SER A 59 10.866 7.264 -6.389 1.00 0.00 C ATOM 877 O SER A 59 10.531 7.345 -7.571 1.00 0.00 O ATOM 878 CB SER A 59 9.792 7.225 -4.143 1.00 0.00 C ATOM 879 OG SER A 59 10.881 7.140 -3.233 1.00 0.00 O ATOM 0 H SER A 59 8.237 8.149 -6.106 1.00 0.00 H new ATOM 0 HA SER A 59 10.875 8.887 -4.973 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.915 7.633 -3.641 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.522 6.231 -4.499 1.00 0.00 H new ATOM 0 HG SER A 59 10.631 6.570 -2.476 1.00 0.00 H new ATOM 885 N ILE A 60 11.826 6.446 -5.964 1.00 0.00 N ATOM 886 CA ILE A 60 12.544 5.585 -6.899 1.00 0.00 C ATOM 887 C ILE A 60 12.657 4.155 -6.338 1.00 0.00 C ATOM 888 O ILE A 60 13.760 3.669 -6.084 1.00 0.00 O ATOM 889 CB ILE A 60 13.943 6.161 -7.179 1.00 0.00 C ATOM 890 CG1 ILE A 60 14.667 5.287 -8.209 1.00 0.00 C ATOM 891 CG2 ILE A 60 14.759 6.210 -5.884 1.00 0.00 C ATOM 892 CD1 ILE A 60 15.554 6.168 -9.093 1.00 0.00 C ATOM 0 H ILE A 60 12.122 6.362 -4.991 1.00 0.00 H new ATOM 0 HA ILE A 60 11.986 5.544 -7.834 1.00 0.00 H new ATOM 0 HB ILE A 60 13.837 7.172 -7.573 1.00 0.00 H new ATOM 0 HG12 ILE A 60 15.272 4.535 -7.702 1.00 0.00 H new ATOM 0 HG13 ILE A 60 13.942 4.752 -8.822 1.00 0.00 H new ATOM 0 HG21 ILE A 60 15.748 6.619 -6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 60 14.250 6.843 -5.157 1.00 0.00 H new ATOM 0 HG23 ILE A 60 14.861 5.203 -5.480 1.00 0.00 H new ATOM 0 HD11 ILE A 60 16.069 5.547 -9.826 1.00 0.00 H new ATOM 0 HD12 ILE A 60 14.937 6.903 -9.610 1.00 0.00 H new ATOM 0 HD13 ILE A 60 16.288 6.683 -8.473 1.00 0.00 H new ATOM 904 N PRO A 61 11.522 3.461 -6.145 1.00 0.00 N ATOM 905 CA PRO A 61 11.532 2.083 -5.619 1.00 0.00 C ATOM 906 C PRO A 61 11.803 1.047 -6.708 1.00 0.00 C ATOM 907 O PRO A 61 10.880 0.544 -7.350 1.00 0.00 O ATOM 908 CB PRO A 61 10.117 1.935 -5.074 1.00 0.00 C ATOM 909 CG PRO A 61 9.242 2.935 -5.823 1.00 0.00 C ATOM 910 CD PRO A 61 10.168 3.991 -6.434 1.00 0.00 C ATOM 0 HA PRO A 61 12.317 1.919 -4.881 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.752 0.918 -5.220 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.095 2.131 -4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.667 2.433 -6.601 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.525 3.399 -5.146 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.000 4.103 -7.505 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.014 4.971 -5.983 1.00 0.00 H new ATOM 918 N ASP A 62 13.081 0.740 -6.914 1.00 0.00 N ATOM 919 CA ASP A 62 13.466 -0.231 -7.935 1.00 0.00 C ATOM 920 C ASP A 62 13.759 -1.593 -7.309 1.00 0.00 C ATOM 921 O ASP A 62 13.477 -2.634 -7.900 1.00 0.00 O ATOM 922 CB ASP A 62 14.712 0.246 -8.683 1.00 0.00 C ATOM 923 CG ASP A 62 14.299 1.165 -9.828 1.00 0.00 C ATOM 924 OD1 ASP A 62 14.112 2.344 -9.577 1.00 0.00 O ATOM 925 OD2 ASP A 62 14.175 0.676 -10.939 1.00 0.00 O ATOM 0 H ASP A 62 13.860 1.144 -6.394 1.00 0.00 H new ATOM 0 HA ASP A 62 12.632 -0.326 -8.631 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.378 0.774 -8.001 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.266 -0.609 -9.071 1.00 0.00 H new ATOM 930 N ASP A 63 14.336 -1.575 -6.111 1.00 0.00 N ATOM 931 CA ASP A 63 14.672 -2.820 -5.423 1.00 0.00 C ATOM 932 C ASP A 63 13.490 -3.323 -4.597 1.00 0.00 C ATOM 933 O ASP A 63 13.176 -4.514 -4.601 1.00 0.00 O ATOM 934 CB ASP A 63 15.876 -2.615 -4.500 1.00 0.00 C ATOM 935 CG ASP A 63 15.600 -1.458 -3.546 1.00 0.00 C ATOM 936 OD1 ASP A 63 14.984 -1.695 -2.520 1.00 0.00 O ATOM 937 OD2 ASP A 63 16.010 -0.350 -3.855 1.00 0.00 O ATOM 0 H ASP A 63 14.578 -0.725 -5.601 1.00 0.00 H new ATOM 0 HA ASP A 63 14.918 -3.561 -6.183 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.073 -3.526 -3.935 1.00 0.00 H new ATOM 0 HB3 ASP A 63 16.768 -2.407 -5.091 1.00 0.00 H new ATOM 942 N VAL A 64 12.841 -2.406 -3.887 1.00 0.00 N ATOM 943 CA VAL A 64 11.699 -2.773 -3.054 1.00 0.00 C ATOM 944 C VAL A 64 10.519 -3.209 -3.926 1.00 0.00 C ATOM 945 O VAL A 64 9.848 -4.199 -3.636 1.00 0.00 O ATOM 946 CB VAL A 64 11.287 -1.589 -2.163 1.00 0.00 C ATOM 947 CG1 VAL A 64 10.821 -0.411 -3.025 1.00 0.00 C ATOM 948 CG2 VAL A 64 10.154 -2.017 -1.225 1.00 0.00 C ATOM 0 H VAL A 64 13.081 -1.415 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 64 11.990 -3.609 -2.418 1.00 0.00 H new ATOM 0 HB VAL A 64 12.150 -1.277 -1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.533 0.420 -2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.633 -0.097 -3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.966 -0.717 -3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.865 -1.175 -0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.296 -2.340 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.493 -2.840 -0.597 1.00 0.00 H new ATOM 958 N ALA A 65 10.278 -2.453 -4.991 1.00 0.00 N ATOM 959 CA ALA A 65 9.177 -2.762 -5.900 1.00 0.00 C ATOM 960 C ALA A 65 9.600 -3.812 -6.924 1.00 0.00 C ATOM 961 O ALA A 65 8.782 -4.601 -7.398 1.00 0.00 O ATOM 962 CB ALA A 65 8.725 -1.502 -6.639 1.00 0.00 C ATOM 0 H ALA A 65 10.823 -1.629 -5.246 1.00 0.00 H new ATOM 0 HA ALA A 65 8.352 -3.152 -5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.904 -1.750 -7.312 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.390 -0.757 -5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.558 -1.100 -7.215 1.00 0.00 H new ATOM 968 N GLY A 66 10.886 -3.814 -7.262 1.00 0.00 N ATOM 969 CA GLY A 66 11.407 -4.769 -8.235 1.00 0.00 C ATOM 970 C GLY A 66 11.293 -6.198 -7.714 1.00 0.00 C ATOM 971 O GLY A 66 11.134 -7.143 -8.486 1.00 0.00 O ATOM 0 H GLY A 66 11.581 -3.172 -6.881 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.858 -4.675 -9.172 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.450 -4.540 -8.452 1.00 0.00 H new ATOM 975 N ARG A 67 11.382 -6.349 -6.394 1.00 0.00 N ATOM 976 CA ARG A 67 11.293 -7.673 -5.785 1.00 0.00 C ATOM 977 C ARG A 67 10.207 -7.706 -4.710 1.00 0.00 C ATOM 978 O ARG A 67 10.387 -8.286 -3.639 1.00 0.00 O ATOM 979 CB ARG A 67 12.635 -8.065 -5.162 1.00 0.00 C ATOM 980 CG ARG A 67 13.563 -8.616 -6.249 1.00 0.00 C ATOM 981 CD ARG A 67 14.410 -9.752 -5.673 1.00 0.00 C ATOM 982 NE ARG A 67 15.194 -9.284 -4.532 1.00 0.00 N ATOM 983 CZ ARG A 67 16.458 -9.663 -4.365 1.00 0.00 C ATOM 984 NH1 ARG A 67 16.832 -10.868 -4.704 1.00 0.00 N ATOM 985 NH2 ARG A 67 17.327 -8.829 -3.861 1.00 0.00 N ATOM 0 H ARG A 67 11.514 -5.582 -5.734 1.00 0.00 H new ATOM 0 HA ARG A 67 11.036 -8.385 -6.569 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.092 -7.199 -4.684 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.482 -8.815 -4.386 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.976 -8.978 -7.093 1.00 0.00 H new ATOM 0 HG3 ARG A 67 14.208 -7.823 -6.627 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.764 -10.574 -5.364 1.00 0.00 H new ATOM 0 HD3 ARG A 67 15.076 -10.142 -6.443 1.00 0.00 H new ATOM 0 HE ARG A 67 14.765 -8.656 -3.852 1.00 0.00 H new ATOM 0 HH11 ARG A 67 16.154 -11.521 -5.098 1.00 0.00 H new ATOM 0 HH12 ARG A 67 17.802 -11.156 -4.575 1.00 0.00 H new ATOM 0 HH21 ARG A 67 17.036 -7.888 -3.596 1.00 0.00 H new ATOM 0 HH22 ARG A 67 18.297 -9.119 -3.732 1.00 0.00 H new ATOM 999 N VAL A 68 9.070 -7.083 -5.012 1.00 0.00 N ATOM 1000 CA VAL A 68 7.958 -7.055 -4.066 1.00 0.00 C ATOM 1001 C VAL A 68 7.411 -8.470 -3.863 1.00 0.00 C ATOM 1002 O VAL A 68 7.079 -9.165 -4.823 1.00 0.00 O ATOM 1003 CB VAL A 68 6.843 -6.126 -4.578 1.00 0.00 C ATOM 1004 CG1 VAL A 68 6.300 -6.644 -5.913 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.702 -6.067 -3.557 1.00 0.00 C ATOM 0 H VAL A 68 8.896 -6.597 -5.892 1.00 0.00 H new ATOM 0 HA VAL A 68 8.319 -6.672 -3.111 1.00 0.00 H new ATOM 0 HB VAL A 68 7.257 -5.128 -4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.511 -5.980 -6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.106 -6.674 -6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.896 -7.647 -5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.917 -5.408 -3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.295 -7.067 -3.408 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.081 -5.684 -2.609 1.00 0.00 H new ATOM 1015 N ASP A 69 7.326 -8.888 -2.602 1.00 0.00 N ATOM 1016 CA ASP A 69 6.826 -10.224 -2.288 1.00 0.00 C ATOM 1017 C ASP A 69 5.370 -10.167 -1.835 1.00 0.00 C ATOM 1018 O ASP A 69 4.588 -11.081 -2.099 1.00 0.00 O ATOM 1019 CB ASP A 69 7.669 -10.864 -1.182 1.00 0.00 C ATOM 1020 CG ASP A 69 7.693 -9.949 0.040 1.00 0.00 C ATOM 1021 OD1 ASP A 69 6.720 -9.950 0.775 1.00 0.00 O ATOM 1022 OD2 ASP A 69 8.684 -9.263 0.220 1.00 0.00 O ATOM 0 H ASP A 69 7.593 -8.330 -1.791 1.00 0.00 H new ATOM 0 HA ASP A 69 6.895 -10.826 -3.194 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.256 -11.836 -0.913 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.684 -11.037 -1.539 1.00 0.00 H new ATOM 1027 N THR A 70 5.013 -9.087 -1.147 1.00 0.00 N ATOM 1028 CA THR A 70 3.644 -8.928 -0.660 1.00 0.00 C ATOM 1029 C THR A 70 2.889 -7.890 -1.496 1.00 0.00 C ATOM 1030 O THR A 70 3.500 -7.004 -2.091 1.00 0.00 O ATOM 1031 CB THR A 70 3.644 -8.478 0.803 1.00 0.00 C ATOM 1032 OG1 THR A 70 4.710 -7.564 1.016 1.00 0.00 O ATOM 1033 CG2 THR A 70 3.820 -9.695 1.713 1.00 0.00 C ATOM 0 H THR A 70 5.642 -8.318 -0.916 1.00 0.00 H new ATOM 0 HA THR A 70 3.147 -9.894 -0.746 1.00 0.00 H new ATOM 0 HB THR A 70 2.697 -7.990 1.034 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.555 -8.056 1.078 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.820 -9.374 2.755 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.000 -10.394 1.549 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.766 -10.186 1.485 1.00 0.00 H new ATOM 1041 N PRO A 71 1.548 -7.979 -1.548 1.00 0.00 N ATOM 1042 CA PRO A 71 0.735 -7.021 -2.323 1.00 0.00 C ATOM 1043 C PRO A 71 0.559 -5.693 -1.591 1.00 0.00 C ATOM 1044 O PRO A 71 0.648 -4.620 -2.185 1.00 0.00 O ATOM 1045 CB PRO A 71 -0.596 -7.750 -2.454 1.00 0.00 C ATOM 1046 CG PRO A 71 -0.673 -8.740 -1.300 1.00 0.00 C ATOM 1047 CD PRO A 71 0.761 -9.021 -0.846 1.00 0.00 C ATOM 0 HA PRO A 71 1.190 -6.754 -3.277 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.427 -7.046 -2.415 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.661 -8.267 -3.411 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.262 -8.329 -0.480 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.164 -9.661 -1.615 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.864 -8.942 0.236 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.082 -10.025 -1.125 1.00 0.00 H new ATOM 1055 N ARG A 72 0.320 -5.783 -0.287 1.00 0.00 N ATOM 1056 CA ARG A 72 0.145 -4.586 0.530 1.00 0.00 C ATOM 1057 C ARG A 72 1.428 -3.746 0.559 1.00 0.00 C ATOM 1058 O ARG A 72 1.402 -2.579 0.944 1.00 0.00 O ATOM 1059 CB ARG A 72 -0.226 -4.970 1.963 1.00 0.00 C ATOM 1060 CG ARG A 72 -1.136 -3.897 2.562 1.00 0.00 C ATOM 1061 CD ARG A 72 -1.387 -4.206 4.037 1.00 0.00 C ATOM 1062 NE ARG A 72 -2.281 -5.351 4.179 1.00 0.00 N ATOM 1063 CZ ARG A 72 -3.444 -5.234 4.812 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -4.301 -4.324 4.439 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -3.728 -6.028 5.807 1.00 0.00 N ATOM 0 H ARG A 72 0.243 -6.663 0.224 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.657 -3.998 0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.731 -5.936 1.972 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.675 -5.076 2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.675 -2.915 2.459 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.081 -3.863 2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.441 -4.413 4.537 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.822 -3.335 4.527 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.010 -6.253 3.787 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.079 -3.702 3.662 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.193 -4.234 4.925 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.058 -6.739 6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.620 -5.938 6.293 1.00 0.00 H new ATOM 1079 N GLU A 73 2.550 -4.349 0.159 1.00 0.00 N ATOM 1080 CA GLU A 73 3.829 -3.642 0.154 1.00 0.00 C ATOM 1081 C GLU A 73 3.823 -2.517 -0.884 1.00 0.00 C ATOM 1082 O GLU A 73 3.977 -1.342 -0.547 1.00 0.00 O ATOM 1083 CB GLU A 73 4.971 -4.621 -0.168 1.00 0.00 C ATOM 1084 CG GLU A 73 5.986 -4.641 0.979 1.00 0.00 C ATOM 1085 CD GLU A 73 6.726 -3.309 1.028 1.00 0.00 C ATOM 1086 OE1 GLU A 73 7.536 -3.071 0.147 1.00 0.00 O ATOM 1087 OE2 GLU A 73 6.474 -2.547 1.947 1.00 0.00 O ATOM 0 H GLU A 73 2.598 -5.316 -0.162 1.00 0.00 H new ATOM 0 HA GLU A 73 3.982 -3.211 1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.569 -5.622 -0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.463 -4.326 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.477 -4.821 1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.694 -5.457 0.838 1.00 0.00 H new ATOM 1094 N LEU A 74 3.663 -2.894 -2.152 1.00 0.00 N ATOM 1095 CA LEU A 74 3.660 -1.919 -3.249 1.00 0.00 C ATOM 1096 C LEU A 74 2.682 -0.771 -2.982 1.00 0.00 C ATOM 1097 O LEU A 74 2.918 0.370 -3.386 1.00 0.00 O ATOM 1098 CB LEU A 74 3.309 -2.599 -4.583 1.00 0.00 C ATOM 1099 CG LEU A 74 1.979 -3.360 -4.474 1.00 0.00 C ATOM 1100 CD1 LEU A 74 1.129 -3.090 -5.719 1.00 0.00 C ATOM 1101 CD2 LEU A 74 2.245 -4.866 -4.379 1.00 0.00 C ATOM 0 H LEU A 74 3.534 -3.862 -2.447 1.00 0.00 H new ATOM 0 HA LEU A 74 4.666 -1.504 -3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.241 -1.850 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.105 -3.288 -4.866 1.00 0.00 H new ATOM 0 HG LEU A 74 1.453 -3.022 -3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.186 -3.631 -5.640 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.929 -2.021 -5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.666 -3.425 -6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.297 -5.399 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.777 -5.199 -5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.851 -5.074 -3.497 1.00 0.00 H new ATOM 1113 N LEU A 75 1.593 -1.080 -2.285 1.00 0.00 N ATOM 1114 CA LEU A 75 0.596 -0.063 -1.961 1.00 0.00 C ATOM 1115 C LEU A 75 1.178 0.952 -0.983 1.00 0.00 C ATOM 1116 O LEU A 75 1.103 2.154 -1.204 1.00 0.00 O ATOM 1117 CB LEU A 75 -0.644 -0.712 -1.339 1.00 0.00 C ATOM 1118 CG LEU A 75 -1.728 0.342 -1.081 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -2.636 0.462 -2.306 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -2.562 -0.080 0.129 1.00 0.00 C ATOM 0 H LEU A 75 1.379 -2.014 -1.937 1.00 0.00 H new ATOM 0 HA LEU A 75 0.312 0.444 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.030 -1.484 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.375 -1.202 -0.403 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.257 1.306 -0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.404 1.212 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.043 0.760 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.109 -0.500 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.334 0.666 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.030 -1.044 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.917 -0.163 1.004 1.00 0.00 H new ATOM 1132 N ASP A 76 1.743 0.456 0.108 1.00 0.00 N ATOM 1133 CA ASP A 76 2.323 1.335 1.120 1.00 0.00 C ATOM 1134 C ASP A 76 3.572 2.056 0.599 1.00 0.00 C ATOM 1135 O ASP A 76 4.050 3.005 1.222 1.00 0.00 O ATOM 1136 CB ASP A 76 2.699 0.533 2.368 1.00 0.00 C ATOM 1137 CG ASP A 76 2.724 1.460 3.578 1.00 0.00 C ATOM 1138 OD1 ASP A 76 1.738 2.146 3.795 1.00 0.00 O ATOM 1139 OD2 ASP A 76 3.729 1.470 4.270 1.00 0.00 O ATOM 0 H ASP A 76 1.813 -0.540 0.317 1.00 0.00 H new ATOM 0 HA ASP A 76 1.568 2.081 1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.980 -0.271 2.527 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.675 0.066 2.233 1.00 0.00 H new ATOM 1144 N LEU A 77 4.105 1.605 -0.538 1.00 0.00 N ATOM 1145 CA LEU A 77 5.300 2.232 -1.101 1.00 0.00 C ATOM 1146 C LEU A 77 4.943 3.516 -1.842 1.00 0.00 C ATOM 1147 O LEU A 77 5.474 4.586 -1.549 1.00 0.00 O ATOM 1148 CB LEU A 77 6.004 1.282 -2.072 1.00 0.00 C ATOM 1149 CG LEU A 77 6.658 0.141 -1.290 1.00 0.00 C ATOM 1150 CD1 LEU A 77 7.103 -0.957 -2.262 1.00 0.00 C ATOM 1151 CD2 LEU A 77 7.877 0.671 -0.522 1.00 0.00 C ATOM 0 H LEU A 77 3.736 0.822 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 77 5.967 2.466 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.287 0.881 -2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.758 1.823 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 77 5.938 -0.270 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.569 -1.770 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.236 -1.338 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.821 -0.546 -2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.340 -0.145 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.598 1.086 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.559 1.449 0.173 1.00 0.00 H new ATOM 1163 N ILE A 78 4.042 3.397 -2.814 1.00 0.00 N ATOM 1164 CA ILE A 78 3.629 4.563 -3.598 1.00 0.00 C ATOM 1165 C ILE A 78 2.821 5.533 -2.736 1.00 0.00 C ATOM 1166 O ILE A 78 3.084 6.734 -2.711 1.00 0.00 O ATOM 1167 CB ILE A 78 2.782 4.129 -4.800 1.00 0.00 C ATOM 1168 CG1 ILE A 78 3.549 3.084 -5.617 1.00 0.00 C ATOM 1169 CG2 ILE A 78 2.484 5.342 -5.688 1.00 0.00 C ATOM 1170 CD1 ILE A 78 2.598 2.411 -6.608 1.00 0.00 C ATOM 0 H ILE A 78 3.589 2.522 -3.076 1.00 0.00 H new ATOM 0 HA ILE A 78 4.529 5.064 -3.953 1.00 0.00 H new ATOM 0 HB ILE A 78 1.846 3.701 -4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.372 3.558 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.987 2.338 -4.954 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.882 5.029 -6.541 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.937 6.089 -5.112 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.421 5.772 -6.043 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.144 1.668 -7.189 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.790 1.923 -6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.181 3.162 -7.279 1.00 0.00 H new ATOM 1182 N ASN A 79 1.831 4.990 -2.040 1.00 0.00 N ATOM 1183 CA ASN A 79 0.965 5.794 -1.176 1.00 0.00 C ATOM 1184 C ASN A 79 1.779 6.536 -0.115 1.00 0.00 C ATOM 1185 O ASN A 79 1.401 7.617 0.333 1.00 0.00 O ATOM 1186 CB ASN A 79 -0.057 4.889 -0.477 1.00 0.00 C ATOM 1187 CG ASN A 79 -1.413 5.582 -0.402 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -1.519 6.790 -0.614 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -2.471 4.874 -0.110 1.00 0.00 N ATOM 0 H ASN A 79 1.604 3.996 -2.054 1.00 0.00 H new ATOM 0 HA ASN A 79 0.453 6.526 -1.801 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.151 3.948 -1.020 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.290 4.644 0.527 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.386 5.322 -0.058 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.382 3.873 0.066 1.00 0.00 H new ATOM 1196 N GLY A 80 2.894 5.934 0.292 1.00 0.00 N ATOM 1197 CA GLY A 80 3.748 6.540 1.312 1.00 0.00 C ATOM 1198 C GLY A 80 4.494 7.754 0.767 1.00 0.00 C ATOM 1199 O GLY A 80 4.364 8.863 1.284 1.00 0.00 O ATOM 0 H GLY A 80 3.225 5.037 -0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.140 6.838 2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.465 5.803 1.673 1.00 0.00 H new ATOM 1203 N ALA A 81 5.284 7.529 -0.281 1.00 0.00 N ATOM 1204 CA ALA A 81 6.061 8.611 -0.893 1.00 0.00 C ATOM 1205 C ALA A 81 5.160 9.775 -1.308 1.00 0.00 C ATOM 1206 O ALA A 81 5.599 10.924 -1.372 1.00 0.00 O ATOM 1207 CB ALA A 81 6.806 8.097 -2.125 1.00 0.00 C ATOM 0 H ALA A 81 5.404 6.617 -0.722 1.00 0.00 H new ATOM 0 HA ALA A 81 6.774 8.965 -0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.379 8.911 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.483 7.294 -1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.088 7.719 -2.853 1.00 0.00 H new ATOM 1213 N LEU A 82 3.896 9.468 -1.585 1.00 0.00 N ATOM 1214 CA LEU A 82 2.942 10.497 -1.988 1.00 0.00 C ATOM 1215 C LEU A 82 2.474 11.285 -0.769 1.00 0.00 C ATOM 1216 O LEU A 82 2.298 12.503 -0.826 1.00 0.00 O ATOM 1217 CB LEU A 82 1.723 9.860 -2.666 1.00 0.00 C ATOM 1218 CG LEU A 82 1.141 10.803 -3.730 1.00 0.00 C ATOM 1219 CD1 LEU A 82 0.739 12.136 -3.090 1.00 0.00 C ATOM 1220 CD2 LEU A 82 2.183 11.055 -4.824 1.00 0.00 C ATOM 0 H LEU A 82 3.511 8.525 -1.539 1.00 0.00 H new ATOM 0 HA LEU A 82 3.439 11.166 -2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.009 8.915 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.962 9.632 -1.919 1.00 0.00 H new ATOM 0 HG LEU A 82 0.259 10.337 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.328 12.797 -3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.012 11.958 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.615 12.603 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.766 11.724 -5.576 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.070 11.511 -4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.456 10.109 -5.291 1.00 0.00 H new ATOM 1232 N ALA A 83 2.277 10.572 0.334 1.00 0.00 N ATOM 1233 CA ALA A 83 1.830 11.201 1.575 1.00 0.00 C ATOM 1234 C ALA A 83 2.839 12.247 2.039 1.00 0.00 C ATOM 1235 O ALA A 83 2.473 13.272 2.615 1.00 0.00 O ATOM 1236 CB ALA A 83 1.660 10.150 2.673 1.00 0.00 C ATOM 0 H ALA A 83 2.418 9.564 0.396 1.00 0.00 H new ATOM 0 HA ALA A 83 0.872 11.684 1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.327 10.634 3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.919 9.414 2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.613 9.652 2.851 1.00 0.00 H new ATOM 1242 N GLU A 84 4.115 11.977 1.780 1.00 0.00 N ATOM 1243 CA GLU A 84 5.175 12.901 2.174 1.00 0.00 C ATOM 1244 C GLU A 84 5.123 14.166 1.323 1.00 0.00 C ATOM 1245 O GLU A 84 5.456 15.258 1.785 1.00 0.00 O ATOM 1246 CB GLU A 84 6.548 12.247 2.007 1.00 0.00 C ATOM 1247 CG GLU A 84 7.520 12.828 3.036 1.00 0.00 C ATOM 1248 CD GLU A 84 8.953 12.578 2.580 1.00 0.00 C ATOM 1249 OE1 GLU A 84 9.284 11.429 2.336 1.00 0.00 O ATOM 1250 OE2 GLU A 84 9.700 13.538 2.482 1.00 0.00 O ATOM 0 H GLU A 84 4.439 11.135 1.304 1.00 0.00 H new ATOM 0 HA GLU A 84 5.021 13.159 3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.467 11.168 2.137 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.924 12.419 0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.346 13.898 3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.352 12.369 4.010 1.00 0.00 H new ATOM 1257 N ALA A 85 4.701 14.006 0.071 1.00 0.00 N ATOM 1258 CA ALA A 85 4.608 15.142 -0.843 1.00 0.00 C ATOM 1259 C ALA A 85 3.613 16.173 -0.317 1.00 0.00 C ATOM 1260 O ALA A 85 3.773 17.374 -0.525 1.00 0.00 O ATOM 1261 CB ALA A 85 4.159 14.677 -2.229 1.00 0.00 C ATOM 0 H ALA A 85 4.421 13.111 -0.331 1.00 0.00 H new ATOM 0 HA ALA A 85 5.596 15.597 -0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.095 15.535 -2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.881 13.962 -2.624 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.181 14.201 -2.154 1.00 0.00 H new ATOM 1267 N ALA A 86 2.581 15.686 0.368 1.00 0.00 N ATOM 1268 CA ALA A 86 1.561 16.572 0.921 1.00 0.00 C ATOM 1269 C ALA A 86 2.103 17.310 2.141 1.00 0.00 C ATOM 1270 O ALA A 86 2.902 16.728 2.855 1.00 0.00 O ATOM 1271 CB ALA A 86 0.322 15.774 1.331 1.00 0.00 C ATOM 1272 OXT ALA A 86 1.709 18.448 2.343 1.00 0.00 O ATOM 0 H ALA A 86 2.430 14.694 0.552 1.00 0.00 H new ATOM 0 HA ALA A 86 1.288 17.293 0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.428 16.451 1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.088 15.264 0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.597 15.037 2.086 1.00 0.00 H new TER 1278 ALA A 86