USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 -160:sc= 0 USER MOD Set 1.2: A 40 TYR OH : rot 150:sc= 0 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0014 (180deg=-0.413) USER MOD Single : A 1 MET N :NH3+ 151:sc= -0.0185 (180deg=-0.364) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.563 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.384 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 140:sc= -0.191 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 80:sc=-0.00364 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -47:sc= 0.808 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0154 USER MOD Single : A 79 ASN : amide:sc= -1.15 X(o=-1.1,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.486 9.789 6.752 1.00 0.00 N ATOM 2 CA MET A 1 -4.880 10.070 6.305 1.00 0.00 C ATOM 3 C MET A 1 -4.887 10.353 4.807 1.00 0.00 C ATOM 4 O MET A 1 -5.670 11.167 4.317 1.00 0.00 O ATOM 5 CB MET A 1 -5.423 11.286 7.057 1.00 0.00 C ATOM 6 CG MET A 1 -5.882 10.860 8.452 1.00 0.00 C ATOM 7 SD MET A 1 -5.850 12.290 9.561 1.00 0.00 S ATOM 8 CE MET A 1 -7.143 13.248 8.734 1.00 0.00 C ATOM 0 H1 MET A 1 -3.376 10.075 7.746 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.290 8.772 6.660 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.818 10.324 6.162 1.00 0.00 H new ATOM 0 HA MET A 1 -5.509 9.204 6.514 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.652 12.053 7.135 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.255 11.725 6.507 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.889 10.446 8.404 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.232 10.074 8.836 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.492 14.038 9.399 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.741 13.691 7.823 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.976 12.592 8.481 1.00 0.00 H new ATOM 20 N ALA A 2 -4.003 9.671 4.084 1.00 0.00 N ATOM 21 CA ALA A 2 -3.912 9.855 2.637 1.00 0.00 C ATOM 22 C ALA A 2 -5.160 9.308 1.952 1.00 0.00 C ATOM 23 O ALA A 2 -5.994 8.654 2.579 1.00 0.00 O ATOM 24 CB ALA A 2 -2.683 9.135 2.082 1.00 0.00 C ATOM 0 H ALA A 2 -3.346 8.993 4.470 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.826 10.923 2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.631 9.283 1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.784 9.539 2.547 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.757 8.069 2.299 1.00 0.00 H new ATOM 30 N THR A 3 -5.279 9.585 0.656 1.00 0.00 N ATOM 31 CA THR A 3 -6.429 9.116 -0.111 1.00 0.00 C ATOM 32 C THR A 3 -6.090 9.059 -1.597 1.00 0.00 C ATOM 33 O THR A 3 -6.939 9.309 -2.453 1.00 0.00 O ATOM 34 CB THR A 3 -7.626 10.049 0.094 1.00 0.00 C ATOM 35 OG1 THR A 3 -7.595 10.573 1.415 1.00 0.00 O ATOM 36 CG2 THR A 3 -8.925 9.270 -0.117 1.00 0.00 C ATOM 0 H THR A 3 -4.601 10.126 0.120 1.00 0.00 H new ATOM 0 HA THR A 3 -6.685 8.117 0.241 1.00 0.00 H new ATOM 0 HB THR A 3 -7.576 10.868 -0.624 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.360 11.172 1.548 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.776 9.935 0.029 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.948 8.869 -1.130 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.978 8.450 0.599 1.00 0.00 H new ATOM 44 N LEU A 4 -4.838 8.724 -1.894 1.00 0.00 N ATOM 45 CA LEU A 4 -4.393 8.633 -3.282 1.00 0.00 C ATOM 46 C LEU A 4 -4.326 7.174 -3.722 1.00 0.00 C ATOM 47 O LEU A 4 -5.158 6.707 -4.501 1.00 0.00 O ATOM 48 CB LEU A 4 -3.006 9.272 -3.446 1.00 0.00 C ATOM 49 CG LEU A 4 -3.133 10.778 -3.724 1.00 0.00 C ATOM 50 CD1 LEU A 4 -3.898 11.006 -5.031 1.00 0.00 C ATOM 51 CD2 LEU A 4 -3.875 11.463 -2.570 1.00 0.00 C ATOM 0 H LEU A 4 -4.120 8.513 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.112 9.168 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.417 9.112 -2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.472 8.789 -4.265 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.134 11.204 -3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.984 12.076 -5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.362 10.533 -5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.894 10.571 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.961 12.530 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.871 11.031 -2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.321 11.315 -1.643 1.00 0.00 H new ATOM 63 N LEU A 5 -3.329 6.456 -3.211 1.00 0.00 N ATOM 64 CA LEU A 5 -3.166 5.048 -3.556 1.00 0.00 C ATOM 65 C LEU A 5 -3.809 4.169 -2.493 1.00 0.00 C ATOM 66 O LEU A 5 -3.132 3.542 -1.679 1.00 0.00 O ATOM 67 CB LEU A 5 -1.677 4.696 -3.686 1.00 0.00 C ATOM 68 CG LEU A 5 -1.236 4.763 -5.159 1.00 0.00 C ATOM 69 CD1 LEU A 5 -1.919 3.648 -5.954 1.00 0.00 C ATOM 70 CD2 LEU A 5 -1.611 6.124 -5.761 1.00 0.00 C ATOM 0 H LEU A 5 -2.630 6.821 -2.564 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.656 4.870 -4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.080 5.386 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.497 3.696 -3.291 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.155 4.636 -5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.604 3.699 -6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.639 2.680 -5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.001 3.769 -5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.294 6.160 -6.803 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.691 6.262 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.115 6.918 -5.203 1.00 0.00 H new ATOM 82 N THR A 6 -5.134 4.141 -2.513 1.00 0.00 N ATOM 83 CA THR A 6 -5.886 3.344 -1.548 1.00 0.00 C ATOM 84 C THR A 6 -5.912 1.878 -1.970 1.00 0.00 C ATOM 85 O THR A 6 -5.553 1.533 -3.096 1.00 0.00 O ATOM 86 CB THR A 6 -7.326 3.859 -1.430 1.00 0.00 C ATOM 87 OG1 THR A 6 -8.081 2.970 -0.620 1.00 0.00 O ATOM 88 CG2 THR A 6 -7.963 3.952 -2.819 1.00 0.00 C ATOM 0 H THR A 6 -5.709 4.656 -3.180 1.00 0.00 H new ATOM 0 HA THR A 6 -5.391 3.433 -0.581 1.00 0.00 H new ATOM 0 HB THR A 6 -7.316 4.849 -0.975 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.001 3.299 -0.543 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.985 4.318 -2.727 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.386 4.639 -3.439 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.972 2.965 -3.282 1.00 0.00 H new ATOM 96 N THR A 7 -6.337 1.014 -1.047 1.00 0.00 N ATOM 97 CA THR A 7 -6.408 -0.425 -1.318 1.00 0.00 C ATOM 98 C THR A 7 -7.199 -0.697 -2.596 1.00 0.00 C ATOM 99 O THR A 7 -6.836 -1.559 -3.395 1.00 0.00 O ATOM 100 CB THR A 7 -7.078 -1.153 -0.148 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.403 -0.824 1.058 1.00 0.00 O ATOM 102 CG2 THR A 7 -7.017 -2.666 -0.372 1.00 0.00 C ATOM 0 H THR A 7 -6.636 1.282 -0.109 1.00 0.00 H new ATOM 0 HA THR A 7 -5.390 -0.794 -1.443 1.00 0.00 H new ATOM 0 HB THR A 7 -8.121 -0.844 -0.081 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.830 -1.287 1.809 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.495 -3.177 0.464 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.536 -2.918 -1.297 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.976 -2.982 -0.443 1.00 0.00 H new ATOM 110 N ASP A 8 -8.284 0.054 -2.779 1.00 0.00 N ATOM 111 CA ASP A 8 -9.126 -0.103 -3.968 1.00 0.00 C ATOM 112 C ASP A 8 -8.286 0.039 -5.238 1.00 0.00 C ATOM 113 O ASP A 8 -8.432 -0.733 -6.187 1.00 0.00 O ATOM 114 CB ASP A 8 -10.236 0.948 -3.984 1.00 0.00 C ATOM 115 CG ASP A 8 -11.412 0.433 -4.806 1.00 0.00 C ATOM 116 OD1 ASP A 8 -11.371 0.576 -6.017 1.00 0.00 O ATOM 117 OD2 ASP A 8 -12.338 -0.098 -4.213 1.00 0.00 O ATOM 0 H ASP A 8 -8.600 0.772 -2.127 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.572 -1.097 -3.935 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.558 1.167 -2.966 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -9.863 1.880 -4.408 1.00 0.00 H new ATOM 122 N ASP A 9 -7.394 1.028 -5.234 1.00 0.00 N ATOM 123 CA ASP A 9 -6.520 1.257 -6.381 1.00 0.00 C ATOM 124 C ASP A 9 -5.622 0.043 -6.594 1.00 0.00 C ATOM 125 O ASP A 9 -5.315 -0.332 -7.726 1.00 0.00 O ATOM 126 CB ASP A 9 -5.641 2.491 -6.158 1.00 0.00 C ATOM 127 CG ASP A 9 -5.003 2.906 -7.479 1.00 0.00 C ATOM 128 OD1 ASP A 9 -4.423 2.051 -8.128 1.00 0.00 O ATOM 129 OD2 ASP A 9 -5.105 4.072 -7.825 1.00 0.00 O ATOM 0 H ASP A 9 -7.259 1.676 -4.458 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.146 1.420 -7.259 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.239 3.309 -5.758 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.868 2.272 -5.422 1.00 0.00 H new ATOM 134 N LEU A 10 -5.215 -0.574 -5.484 1.00 0.00 N ATOM 135 CA LEU A 10 -4.358 -1.760 -5.540 1.00 0.00 C ATOM 136 C LEU A 10 -5.023 -2.860 -6.367 1.00 0.00 C ATOM 137 O LEU A 10 -4.398 -3.477 -7.230 1.00 0.00 O ATOM 138 CB LEU A 10 -4.107 -2.301 -4.127 1.00 0.00 C ATOM 139 CG LEU A 10 -2.724 -2.963 -4.039 1.00 0.00 C ATOM 140 CD1 LEU A 10 -2.542 -3.559 -2.642 1.00 0.00 C ATOM 141 CD2 LEU A 10 -2.607 -4.086 -5.076 1.00 0.00 C ATOM 0 H LEU A 10 -5.463 -0.275 -4.541 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.414 -1.471 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.174 -1.488 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.880 -3.024 -3.866 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.958 -2.212 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.562 -4.031 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.617 -2.768 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.317 -4.304 -2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.622 -4.547 -5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.374 -4.837 -4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.742 -3.673 -6.076 1.00 0.00 H new ATOM 153 N ARG A 11 -6.299 -3.096 -6.078 1.00 0.00 N ATOM 154 CA ARG A 11 -7.062 -4.124 -6.780 1.00 0.00 C ATOM 155 C ARG A 11 -7.110 -3.838 -8.277 1.00 0.00 C ATOM 156 O ARG A 11 -6.799 -4.700 -9.095 1.00 0.00 O ATOM 157 CB ARG A 11 -8.494 -4.177 -6.239 1.00 0.00 C ATOM 158 CG ARG A 11 -8.987 -5.625 -6.220 1.00 0.00 C ATOM 159 CD ARG A 11 -10.288 -5.709 -5.421 1.00 0.00 C ATOM 160 NE ARG A 11 -11.298 -4.818 -5.985 1.00 0.00 N ATOM 161 CZ ARG A 11 -12.538 -5.244 -6.217 1.00 0.00 C ATOM 162 NH1 ARG A 11 -13.143 -5.995 -5.337 1.00 0.00 N ATOM 163 NH2 ARG A 11 -13.147 -4.912 -7.322 1.00 0.00 N ATOM 0 H ARG A 11 -6.826 -2.591 -5.365 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.567 -5.081 -6.615 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.528 -3.758 -5.233 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.150 -3.568 -6.861 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.149 -5.979 -7.238 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.231 -6.272 -5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.657 -6.734 -5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.100 -5.442 -4.381 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.050 -3.853 -6.205 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.666 -6.254 -4.474 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.093 -6.322 -5.513 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.673 -4.326 -8.009 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.097 -5.239 -7.499 1.00 0.00 H new ATOM 177 N ARG A 12 -7.517 -2.621 -8.622 1.00 0.00 N ATOM 178 CA ARG A 12 -7.619 -2.224 -10.027 1.00 0.00 C ATOM 179 C ARG A 12 -6.279 -2.372 -10.751 1.00 0.00 C ATOM 180 O ARG A 12 -6.236 -2.540 -11.969 1.00 0.00 O ATOM 181 CB ARG A 12 -8.082 -0.768 -10.135 1.00 0.00 C ATOM 182 CG ARG A 12 -9.608 -0.721 -10.223 1.00 0.00 C ATOM 183 CD ARG A 12 -10.068 0.728 -10.396 1.00 0.00 C ATOM 184 NE ARG A 12 -11.247 0.794 -11.256 1.00 0.00 N ATOM 185 CZ ARG A 12 -12.213 1.678 -11.026 1.00 0.00 C ATOM 186 NH1 ARG A 12 -11.916 2.933 -10.829 1.00 0.00 N ATOM 187 NH2 ARG A 12 -13.458 1.290 -10.998 1.00 0.00 N ATOM 0 H ARG A 12 -7.781 -1.895 -7.956 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.347 -2.884 -10.499 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.740 -0.202 -9.269 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.642 -0.300 -11.016 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.953 -1.325 -11.062 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.048 -1.148 -9.321 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.297 1.161 -9.422 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.262 1.322 -10.828 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.330 0.152 -12.045 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.942 3.236 -10.851 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.657 3.611 -10.653 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.690 0.309 -11.152 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.200 1.968 -10.822 1.00 0.00 H new ATOM 201 N ALA A 13 -5.186 -2.297 -9.995 1.00 0.00 N ATOM 202 CA ALA A 13 -3.855 -2.412 -10.590 1.00 0.00 C ATOM 203 C ALA A 13 -3.511 -3.868 -10.897 1.00 0.00 C ATOM 204 O ALA A 13 -2.807 -4.163 -11.861 1.00 0.00 O ATOM 205 CB ALA A 13 -2.798 -1.842 -9.643 1.00 0.00 C ATOM 0 H ALA A 13 -5.193 -2.159 -8.984 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.862 -1.845 -11.521 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.813 -1.935 -10.100 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.011 -0.791 -9.450 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.816 -2.394 -8.703 1.00 0.00 H new ATOM 211 N LEU A 14 -4.007 -4.774 -10.060 1.00 0.00 N ATOM 212 CA LEU A 14 -3.735 -6.200 -10.247 1.00 0.00 C ATOM 213 C LEU A 14 -4.734 -6.848 -11.212 1.00 0.00 C ATOM 214 O LEU A 14 -4.503 -7.950 -11.708 1.00 0.00 O ATOM 215 CB LEU A 14 -3.796 -6.929 -8.904 1.00 0.00 C ATOM 216 CG LEU A 14 -2.407 -6.929 -8.262 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.545 -6.937 -6.739 1.00 0.00 C ATOM 218 CD2 LEU A 14 -1.638 -8.173 -8.709 1.00 0.00 C ATOM 0 H LEU A 14 -4.592 -4.553 -9.255 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.736 -6.285 -10.675 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.513 -6.440 -8.245 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.142 -7.953 -9.049 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.866 -6.035 -8.572 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.555 -6.937 -6.284 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.092 -6.050 -6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.087 -7.830 -6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.649 -8.173 -8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.180 -9.067 -8.400 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.536 -8.167 -9.794 1.00 0.00 H new ATOM 230 N VAL A 15 -5.846 -6.162 -11.476 1.00 0.00 N ATOM 231 CA VAL A 15 -6.859 -6.696 -12.382 1.00 0.00 C ATOM 232 C VAL A 15 -6.468 -6.442 -13.838 1.00 0.00 C ATOM 233 O VAL A 15 -6.848 -7.192 -14.735 1.00 0.00 O ATOM 234 CB VAL A 15 -8.220 -6.048 -12.103 1.00 0.00 C ATOM 235 CG1 VAL A 15 -9.300 -6.724 -12.954 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.568 -6.203 -10.615 1.00 0.00 C ATOM 0 H VAL A 15 -6.065 -5.248 -11.081 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.928 -7.771 -12.213 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.172 -4.989 -12.357 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.266 -6.260 -12.752 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.056 -6.609 -14.010 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.348 -7.784 -12.706 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.536 -5.742 -10.418 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.612 -7.262 -10.360 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.804 -5.715 -10.010 1.00 0.00 H new ATOM 246 N GLU A 16 -5.701 -5.373 -14.063 1.00 0.00 N ATOM 247 CA GLU A 16 -5.262 -5.027 -15.413 1.00 0.00 C ATOM 248 C GLU A 16 -4.505 -6.193 -16.054 1.00 0.00 C ATOM 249 O GLU A 16 -4.525 -6.369 -17.272 1.00 0.00 O ATOM 250 CB GLU A 16 -4.351 -3.791 -15.371 1.00 0.00 C ATOM 251 CG GLU A 16 -4.772 -2.799 -16.457 1.00 0.00 C ATOM 252 CD GLU A 16 -5.846 -1.866 -15.908 1.00 0.00 C ATOM 253 OE1 GLU A 16 -5.654 -1.350 -14.818 1.00 0.00 O ATOM 254 OE2 GLU A 16 -6.845 -1.681 -16.584 1.00 0.00 O ATOM 0 H GLU A 16 -5.374 -4.738 -13.334 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.147 -4.809 -16.011 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.410 -3.318 -14.391 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.313 -4.088 -15.520 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.910 -2.221 -16.790 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.152 -3.335 -17.327 1.00 0.00 H new ATOM 261 N CYS A 17 -3.840 -6.985 -15.217 1.00 0.00 N ATOM 262 CA CYS A 17 -3.081 -8.131 -15.709 1.00 0.00 C ATOM 263 C CYS A 17 -4.025 -9.237 -16.172 1.00 0.00 C ATOM 264 O CYS A 17 -3.763 -9.924 -17.159 1.00 0.00 O ATOM 265 CB CYS A 17 -2.169 -8.680 -14.610 1.00 0.00 C ATOM 266 SG CYS A 17 -0.805 -7.525 -14.325 1.00 0.00 S ATOM 0 H CYS A 17 -3.811 -6.857 -14.206 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.474 -7.797 -16.550 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.736 -8.824 -13.690 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.779 -9.656 -14.900 1.00 0.00 H new ATOM 0 HG CYS A 17 0.171 -8.145 -13.731 1.00 0.00 H new ATOM 272 N ALA A 18 -5.129 -9.400 -15.447 1.00 0.00 N ATOM 273 CA ALA A 18 -6.110 -10.425 -15.790 1.00 0.00 C ATOM 274 C ALA A 18 -6.711 -10.145 -17.164 1.00 0.00 C ATOM 275 O ALA A 18 -6.443 -10.855 -18.132 1.00 0.00 O ATOM 276 CB ALA A 18 -7.233 -10.463 -14.753 1.00 0.00 C ATOM 0 H ALA A 18 -5.365 -8.842 -14.627 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.600 -11.388 -15.804 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.954 -11.233 -15.026 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.815 -10.689 -13.772 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.731 -9.494 -14.721 1.00 0.00 H new ATOM 282 N GLY A 19 -7.528 -9.098 -17.237 1.00 0.00 N ATOM 283 CA GLY A 19 -8.165 -8.726 -18.497 1.00 0.00 C ATOM 284 C GLY A 19 -9.529 -8.091 -18.248 1.00 0.00 C ATOM 285 O GLY A 19 -10.526 -8.461 -18.868 1.00 0.00 O ATOM 0 H GLY A 19 -7.763 -8.497 -16.447 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.528 -8.028 -19.040 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.279 -9.609 -19.126 1.00 0.00 H new ATOM 289 N GLU A 20 -9.559 -7.124 -17.332 1.00 0.00 N ATOM 290 CA GLU A 20 -10.803 -6.429 -16.996 1.00 0.00 C ATOM 291 C GLU A 20 -11.811 -7.397 -16.383 1.00 0.00 C ATOM 292 O GLU A 20 -12.065 -8.477 -16.917 1.00 0.00 O ATOM 293 CB GLU A 20 -11.423 -5.790 -18.242 1.00 0.00 C ATOM 294 CG GLU A 20 -12.506 -4.796 -17.820 1.00 0.00 C ATOM 295 CD GLU A 20 -13.223 -4.267 -19.058 1.00 0.00 C ATOM 296 OE1 GLU A 20 -13.739 -5.077 -19.810 1.00 0.00 O ATOM 297 OE2 GLU A 20 -13.244 -3.060 -19.235 1.00 0.00 O ATOM 0 H GLU A 20 -8.742 -6.805 -16.811 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.560 -5.650 -16.274 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.654 -5.281 -18.824 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.851 -6.560 -18.884 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.219 -5.281 -17.153 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.060 -3.971 -17.265 1.00 0.00 H new ATOM 304 N THR A 21 -12.384 -6.992 -15.253 1.00 0.00 N ATOM 305 CA THR A 21 -13.370 -7.821 -14.563 1.00 0.00 C ATOM 306 C THR A 21 -13.843 -7.123 -13.293 1.00 0.00 C ATOM 307 O THR A 21 -13.051 -6.817 -12.402 1.00 0.00 O ATOM 308 CB THR A 21 -12.778 -9.186 -14.193 1.00 0.00 C ATOM 309 OG1 THR A 21 -13.680 -9.873 -13.336 1.00 0.00 O ATOM 310 CG2 THR A 21 -11.439 -8.997 -13.478 1.00 0.00 C ATOM 0 H THR A 21 -12.185 -6.101 -14.797 1.00 0.00 H new ATOM 0 HA THR A 21 -14.212 -7.972 -15.239 1.00 0.00 H new ATOM 0 HB THR A 21 -12.619 -9.767 -15.101 1.00 0.00 H new ATOM 0 HG1 THR A 21 -13.305 -10.747 -13.099 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.025 -9.971 -13.218 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.746 -8.472 -14.136 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.591 -8.413 -12.570 1.00 0.00 H new ATOM 318 N ASP A 22 -15.146 -6.872 -13.223 1.00 0.00 N ATOM 319 CA ASP A 22 -15.721 -6.205 -12.058 1.00 0.00 C ATOM 320 C ASP A 22 -16.318 -7.224 -11.089 1.00 0.00 C ATOM 321 O ASP A 22 -17.266 -6.926 -10.362 1.00 0.00 O ATOM 322 CB ASP A 22 -16.816 -5.225 -12.489 1.00 0.00 C ATOM 323 CG ASP A 22 -17.866 -5.962 -13.316 1.00 0.00 C ATOM 324 OD1 ASP A 22 -18.775 -6.520 -12.721 1.00 0.00 O ATOM 325 OD2 ASP A 22 -17.746 -5.958 -14.529 1.00 0.00 O ATOM 0 H ASP A 22 -15.818 -7.117 -13.950 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.920 -5.661 -11.558 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.280 -4.774 -11.612 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.382 -4.413 -13.073 1.00 0.00 H new ATOM 330 N GLY A 23 -15.753 -8.430 -11.082 1.00 0.00 N ATOM 331 CA GLY A 23 -16.239 -9.481 -10.194 1.00 0.00 C ATOM 332 C GLY A 23 -15.237 -9.749 -9.077 1.00 0.00 C ATOM 333 O GLY A 23 -15.597 -9.799 -7.901 1.00 0.00 O ATOM 0 H GLY A 23 -14.968 -8.701 -11.674 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.198 -9.188 -9.766 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.410 -10.395 -10.763 1.00 0.00 H new ATOM 337 N THR A 24 -13.972 -9.919 -9.461 1.00 0.00 N ATOM 338 CA THR A 24 -12.912 -10.184 -8.492 1.00 0.00 C ATOM 339 C THR A 24 -13.153 -11.517 -7.793 1.00 0.00 C ATOM 340 O THR A 24 -14.260 -11.812 -7.346 1.00 0.00 O ATOM 341 CB THR A 24 -12.843 -9.070 -7.446 1.00 0.00 C ATOM 342 OG1 THR A 24 -13.324 -7.859 -8.014 1.00 0.00 O ATOM 343 CG2 THR A 24 -11.394 -8.881 -6.991 1.00 0.00 C ATOM 0 H THR A 24 -13.659 -9.878 -10.431 1.00 0.00 H new ATOM 0 HA THR A 24 -11.966 -10.224 -9.032 1.00 0.00 H new ATOM 0 HB THR A 24 -13.458 -9.340 -6.588 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.868 -7.381 -7.353 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.347 -8.087 -6.246 1.00 0.00 H new ATOM 0 HG22 THR A 24 -11.025 -9.810 -6.555 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.776 -8.612 -7.847 1.00 0.00 H new ATOM 351 N ASP A 25 -12.099 -12.321 -7.712 1.00 0.00 N ATOM 352 CA ASP A 25 -12.197 -13.628 -7.072 1.00 0.00 C ATOM 353 C ASP A 25 -11.117 -13.785 -6.009 1.00 0.00 C ATOM 354 O ASP A 25 -9.988 -14.181 -6.302 1.00 0.00 O ATOM 355 CB ASP A 25 -12.041 -14.744 -8.108 1.00 0.00 C ATOM 356 CG ASP A 25 -13.073 -14.559 -9.214 1.00 0.00 C ATOM 357 OD1 ASP A 25 -12.895 -13.658 -10.019 1.00 0.00 O ATOM 358 OD2 ASP A 25 -14.026 -15.319 -9.242 1.00 0.00 O ATOM 0 H ASP A 25 -11.174 -12.094 -8.078 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.179 -13.700 -6.605 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.035 -14.727 -8.528 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.172 -15.716 -7.633 1.00 0.00 H new ATOM 363 N LEU A 26 -11.478 -13.478 -4.768 1.00 0.00 N ATOM 364 CA LEU A 26 -10.555 -13.592 -3.663 1.00 0.00 C ATOM 365 C LEU A 26 -10.897 -14.845 -2.866 1.00 0.00 C ATOM 366 O LEU A 26 -11.745 -15.645 -3.262 1.00 0.00 O ATOM 367 CB LEU A 26 -10.647 -12.362 -2.734 1.00 0.00 C ATOM 368 CG LEU A 26 -10.342 -11.048 -3.486 1.00 0.00 C ATOM 369 CD1 LEU A 26 -9.037 -11.163 -4.286 1.00 0.00 C ATOM 370 CD2 LEU A 26 -11.499 -10.704 -4.430 1.00 0.00 C ATOM 0 H LEU A 26 -12.408 -13.148 -4.509 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.541 -13.650 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.646 -12.309 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.946 -12.478 -1.907 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.226 -10.253 -2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.845 -10.225 -4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.212 -11.377 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.126 -11.970 -5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.276 -9.776 -4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.630 -11.509 -5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.416 -10.582 -3.853 1.00 0.00 H new ATOM 382 N SER A 27 -10.233 -14.995 -1.740 1.00 0.00 N ATOM 383 CA SER A 27 -10.460 -16.142 -0.865 1.00 0.00 C ATOM 384 C SER A 27 -10.170 -15.759 0.583 1.00 0.00 C ATOM 385 O SER A 27 -9.277 -16.309 1.231 1.00 0.00 O ATOM 386 CB SER A 27 -9.564 -17.309 -1.277 1.00 0.00 C ATOM 387 OG SER A 27 -10.268 -18.529 -1.087 1.00 0.00 O ATOM 0 H SER A 27 -9.528 -14.339 -1.402 1.00 0.00 H new ATOM 0 HA SER A 27 -11.503 -16.447 -0.955 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.268 -17.205 -2.321 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.649 -17.307 -0.685 1.00 0.00 H new ATOM 0 HG SER A 27 -9.697 -19.281 -1.352 1.00 0.00 H new ATOM 393 N GLY A 28 -10.932 -14.794 1.080 1.00 0.00 N ATOM 394 CA GLY A 28 -10.750 -14.323 2.451 1.00 0.00 C ATOM 395 C GLY A 28 -9.446 -13.543 2.566 1.00 0.00 C ATOM 396 O GLY A 28 -8.366 -14.124 2.670 1.00 0.00 O ATOM 0 H GLY A 28 -11.675 -14.325 0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.589 -13.690 2.741 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.738 -15.170 3.137 1.00 0.00 H new ATOM 400 N ASP A 29 -9.559 -12.216 2.533 1.00 0.00 N ATOM 401 CA ASP A 29 -8.378 -11.357 2.620 1.00 0.00 C ATOM 402 C ASP A 29 -7.469 -11.603 1.419 1.00 0.00 C ATOM 403 O ASP A 29 -6.794 -12.629 1.333 1.00 0.00 O ATOM 404 CB ASP A 29 -7.595 -11.633 3.910 1.00 0.00 C ATOM 405 CG ASP A 29 -6.988 -10.334 4.428 1.00 0.00 C ATOM 406 OD1 ASP A 29 -7.719 -9.363 4.538 1.00 0.00 O ATOM 407 OD2 ASP A 29 -5.800 -10.328 4.707 1.00 0.00 O ATOM 0 H ASP A 29 -10.444 -11.717 2.448 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.712 -10.319 2.626 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.255 -12.063 4.663 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.809 -12.364 3.721 1.00 0.00 H new ATOM 412 N PHE A 30 -7.466 -10.653 0.489 1.00 0.00 N ATOM 413 CA PHE A 30 -6.644 -10.780 -0.713 1.00 0.00 C ATOM 414 C PHE A 30 -5.292 -10.082 -0.536 1.00 0.00 C ATOM 415 O PHE A 30 -4.639 -9.724 -1.516 1.00 0.00 O ATOM 416 CB PHE A 30 -7.381 -10.189 -1.930 1.00 0.00 C ATOM 417 CG PHE A 30 -7.435 -8.669 -1.859 1.00 0.00 C ATOM 418 CD1 PHE A 30 -8.397 -8.031 -1.067 1.00 0.00 C ATOM 419 CD2 PHE A 30 -6.521 -7.903 -2.596 1.00 0.00 C ATOM 420 CE1 PHE A 30 -8.445 -6.633 -1.012 1.00 0.00 C ATOM 421 CE2 PHE A 30 -6.569 -6.506 -2.539 1.00 0.00 C ATOM 422 CZ PHE A 30 -7.532 -5.871 -1.747 1.00 0.00 C ATOM 0 H PHE A 30 -8.016 -9.796 0.541 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.463 -11.841 -0.883 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.877 -10.495 -2.847 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.394 -10.589 -1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.103 -8.618 -0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.778 -8.392 -3.209 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.188 -6.143 -0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.863 -5.918 -3.106 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.570 -4.793 -1.704 1.00 0.00 H new ATOM 432 N LEU A 31 -4.886 -9.874 0.714 1.00 0.00 N ATOM 433 CA LEU A 31 -3.623 -9.198 0.976 1.00 0.00 C ATOM 434 C LEU A 31 -2.794 -9.968 1.998 1.00 0.00 C ATOM 435 O LEU A 31 -2.612 -9.542 3.139 1.00 0.00 O ATOM 436 CB LEU A 31 -3.883 -7.777 1.474 1.00 0.00 C ATOM 437 CG LEU A 31 -4.730 -7.039 0.433 1.00 0.00 C ATOM 438 CD1 LEU A 31 -5.395 -5.817 1.068 1.00 0.00 C ATOM 439 CD2 LEU A 31 -3.835 -6.597 -0.729 1.00 0.00 C ATOM 0 H LEU A 31 -5.403 -10.158 1.546 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.059 -9.153 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.400 -7.801 2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.940 -7.254 1.633 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.506 -7.708 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.995 -5.299 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.036 -6.137 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.628 -5.142 1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.436 -6.071 -1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.056 -5.932 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.376 -7.473 -1.188 1.00 0.00 H new ATOM 451 N ASP A 32 -2.282 -11.108 1.550 1.00 0.00 N ATOM 452 CA ASP A 32 -1.449 -11.966 2.388 1.00 0.00 C ATOM 453 C ASP A 32 -0.476 -12.731 1.499 1.00 0.00 C ATOM 454 O ASP A 32 0.730 -12.765 1.748 1.00 0.00 O ATOM 455 CB ASP A 32 -2.310 -12.961 3.170 1.00 0.00 C ATOM 456 CG ASP A 32 -3.095 -12.219 4.247 1.00 0.00 C ATOM 457 OD1 ASP A 32 -2.485 -11.458 4.979 1.00 0.00 O ATOM 458 OD2 ASP A 32 -4.295 -12.424 4.323 1.00 0.00 O ATOM 0 H ASP A 32 -2.430 -11.463 0.605 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.905 -11.345 3.099 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.995 -13.475 2.495 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.679 -13.724 3.626 1.00 0.00 H new ATOM 463 N LEU A 33 -1.025 -13.329 0.446 1.00 0.00 N ATOM 464 CA LEU A 33 -0.225 -14.082 -0.510 1.00 0.00 C ATOM 465 C LEU A 33 -0.787 -13.865 -1.915 1.00 0.00 C ATOM 466 O LEU A 33 -1.298 -14.787 -2.551 1.00 0.00 O ATOM 467 CB LEU A 33 -0.247 -15.576 -0.173 1.00 0.00 C ATOM 468 CG LEU A 33 0.956 -15.920 0.708 1.00 0.00 C ATOM 469 CD1 LEU A 33 0.548 -15.851 2.182 1.00 0.00 C ATOM 470 CD2 LEU A 33 1.439 -17.335 0.380 1.00 0.00 C ATOM 0 H LEU A 33 -2.023 -13.306 0.234 1.00 0.00 H new ATOM 0 HA LEU A 33 0.806 -13.732 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.173 -15.829 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.221 -16.166 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 33 1.759 -15.207 0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.405 -16.096 2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.203 -14.844 2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.255 -16.563 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.296 -17.581 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.635 -18.047 0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.730 -17.386 -0.669 1.00 0.00 H new ATOM 482 N ARG A 34 -0.705 -12.622 -2.384 1.00 0.00 N ATOM 483 CA ARG A 34 -1.224 -12.277 -3.707 1.00 0.00 C ATOM 484 C ARG A 34 -0.115 -12.316 -4.760 1.00 0.00 C ATOM 485 O ARG A 34 -0.372 -12.562 -5.938 1.00 0.00 O ATOM 486 CB ARG A 34 -1.859 -10.879 -3.677 1.00 0.00 C ATOM 487 CG ARG A 34 -2.531 -10.585 -5.021 1.00 0.00 C ATOM 488 CD ARG A 34 -3.871 -11.319 -5.091 1.00 0.00 C ATOM 489 NE ARG A 34 -4.233 -11.600 -6.478 1.00 0.00 N ATOM 490 CZ ARG A 34 -5.292 -12.349 -6.770 1.00 0.00 C ATOM 491 NH1 ARG A 34 -5.410 -13.540 -6.252 1.00 0.00 N ATOM 492 NH2 ARG A 34 -6.212 -11.891 -7.574 1.00 0.00 N ATOM 0 H ARG A 34 -0.288 -11.843 -1.874 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.981 -13.014 -3.975 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.592 -10.820 -2.873 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.097 -10.128 -3.469 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.685 -9.512 -5.136 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.886 -10.904 -5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.811 -12.251 -4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.648 -10.714 -4.622 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.665 -11.216 -7.233 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.690 -13.896 -5.623 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.222 -14.115 -6.476 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.118 -10.959 -7.978 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.025 -12.465 -7.799 1.00 0.00 H new ATOM 506 N PHE A 35 1.121 -12.073 -4.328 1.00 0.00 N ATOM 507 CA PHE A 35 2.256 -12.086 -5.252 1.00 0.00 C ATOM 508 C PHE A 35 2.939 -13.454 -5.259 1.00 0.00 C ATOM 509 O PHE A 35 3.553 -13.849 -6.249 1.00 0.00 O ATOM 510 CB PHE A 35 3.287 -11.028 -4.852 1.00 0.00 C ATOM 511 CG PHE A 35 2.882 -9.677 -5.393 1.00 0.00 C ATOM 512 CD1 PHE A 35 1.615 -9.156 -5.103 1.00 0.00 C ATOM 513 CD2 PHE A 35 3.778 -8.940 -6.180 1.00 0.00 C ATOM 514 CE1 PHE A 35 1.245 -7.900 -5.599 1.00 0.00 C ATOM 515 CE2 PHE A 35 3.405 -7.686 -6.676 1.00 0.00 C ATOM 516 CZ PHE A 35 2.140 -7.165 -6.385 1.00 0.00 C ATOM 0 H PHE A 35 1.362 -11.867 -3.358 1.00 0.00 H new ATOM 0 HA PHE A 35 1.869 -11.868 -6.248 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.371 -10.983 -3.766 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.269 -11.303 -5.237 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.924 -9.723 -4.497 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.756 -9.340 -6.403 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.268 -7.498 -5.375 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.095 -7.120 -7.284 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.854 -6.196 -6.767 1.00 0.00 H new ATOM 526 N GLU A 36 2.844 -14.166 -4.136 1.00 0.00 N ATOM 527 CA GLU A 36 3.475 -15.479 -4.018 1.00 0.00 C ATOM 528 C GLU A 36 2.582 -16.583 -4.582 1.00 0.00 C ATOM 529 O GLU A 36 3.073 -17.611 -5.049 1.00 0.00 O ATOM 530 CB GLU A 36 3.775 -15.787 -2.550 1.00 0.00 C ATOM 531 CG GLU A 36 4.994 -16.705 -2.461 1.00 0.00 C ATOM 532 CD GLU A 36 5.315 -16.985 -0.997 1.00 0.00 C ATOM 533 OE1 GLU A 36 5.889 -16.117 -0.361 1.00 0.00 O ATOM 534 OE2 GLU A 36 4.980 -18.063 -0.534 1.00 0.00 O ATOM 0 H GLU A 36 2.341 -13.859 -3.303 1.00 0.00 H new ATOM 0 HA GLU A 36 4.400 -15.450 -4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.962 -14.862 -2.004 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.913 -16.263 -2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.798 -17.640 -2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.850 -16.239 -2.949 1.00 0.00 H new ATOM 541 N ASP A 37 1.270 -16.373 -4.525 1.00 0.00 N ATOM 542 CA ASP A 37 0.326 -17.374 -5.027 1.00 0.00 C ATOM 543 C ASP A 37 0.567 -17.663 -6.508 1.00 0.00 C ATOM 544 O ASP A 37 0.621 -18.821 -6.924 1.00 0.00 O ATOM 545 CB ASP A 37 -1.116 -16.897 -4.840 1.00 0.00 C ATOM 546 CG ASP A 37 -2.082 -18.027 -5.185 1.00 0.00 C ATOM 547 OD1 ASP A 37 -1.787 -19.160 -4.839 1.00 0.00 O ATOM 548 OD2 ASP A 37 -3.103 -17.744 -5.791 1.00 0.00 O ATOM 0 H ASP A 37 0.838 -15.532 -4.142 1.00 0.00 H new ATOM 0 HA ASP A 37 0.485 -18.288 -4.455 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.272 -16.575 -3.810 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.309 -16.034 -5.477 1.00 0.00 H new ATOM 553 N ILE A 38 0.708 -16.605 -7.299 1.00 0.00 N ATOM 554 CA ILE A 38 0.938 -16.771 -8.740 1.00 0.00 C ATOM 555 C ILE A 38 2.376 -16.379 -9.082 1.00 0.00 C ATOM 556 O ILE A 38 3.207 -16.184 -8.196 1.00 0.00 O ATOM 557 CB ILE A 38 -0.040 -15.924 -9.602 1.00 0.00 C ATOM 558 CG1 ILE A 38 -1.226 -15.406 -8.770 1.00 0.00 C ATOM 559 CG2 ILE A 38 -0.581 -16.788 -10.746 1.00 0.00 C ATOM 560 CD1 ILE A 38 -2.077 -14.460 -9.620 1.00 0.00 C ATOM 0 H ILE A 38 0.669 -15.637 -6.980 1.00 0.00 H new ATOM 0 HA ILE A 38 0.760 -17.821 -8.973 1.00 0.00 H new ATOM 0 HB ILE A 38 0.510 -15.066 -9.989 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.832 -16.243 -8.422 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.862 -14.886 -7.884 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.268 -16.199 -11.354 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.247 -17.132 -11.365 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.108 -17.648 -10.334 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.916 -14.095 -9.028 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.468 -13.617 -9.946 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.453 -14.994 -10.492 1.00 0.00 H new ATOM 572 N GLY A 39 2.659 -16.267 -10.379 1.00 0.00 N ATOM 573 CA GLY A 39 3.998 -15.898 -10.831 1.00 0.00 C ATOM 574 C GLY A 39 4.164 -14.383 -10.850 1.00 0.00 C ATOM 575 O GLY A 39 4.157 -13.755 -11.910 1.00 0.00 O ATOM 0 H GLY A 39 1.986 -16.425 -11.129 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.744 -16.342 -10.172 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.174 -16.300 -11.829 1.00 0.00 H new ATOM 579 N TYR A 40 4.313 -13.802 -9.663 1.00 0.00 N ATOM 580 CA TYR A 40 4.479 -12.356 -9.546 1.00 0.00 C ATOM 581 C TYR A 40 5.783 -12.027 -8.818 1.00 0.00 C ATOM 582 O TYR A 40 5.809 -11.230 -7.878 1.00 0.00 O ATOM 583 CB TYR A 40 3.302 -11.744 -8.781 1.00 0.00 C ATOM 584 CG TYR A 40 2.194 -11.404 -9.749 1.00 0.00 C ATOM 585 CD1 TYR A 40 1.409 -12.423 -10.297 1.00 0.00 C ATOM 586 CD2 TYR A 40 1.955 -10.070 -10.098 1.00 0.00 C ATOM 587 CE1 TYR A 40 0.383 -12.109 -11.196 1.00 0.00 C ATOM 588 CE2 TYR A 40 0.928 -9.755 -10.996 1.00 0.00 C ATOM 589 CZ TYR A 40 0.142 -10.775 -11.546 1.00 0.00 C ATOM 590 OH TYR A 40 -0.870 -10.466 -12.431 1.00 0.00 O ATOM 0 H TYR A 40 4.322 -14.305 -8.775 1.00 0.00 H new ATOM 0 HA TYR A 40 4.512 -11.935 -10.551 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.940 -12.445 -8.029 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.625 -10.847 -8.252 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.594 -13.452 -10.027 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.563 -9.284 -9.675 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.223 -12.896 -11.620 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.742 -8.726 -11.264 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.227 -9.577 -12.222 1.00 0.00 H new ATOM 600 N ASP A 41 6.870 -12.650 -9.266 1.00 0.00 N ATOM 601 CA ASP A 41 8.174 -12.415 -8.653 1.00 0.00 C ATOM 602 C ASP A 41 8.593 -10.961 -8.835 1.00 0.00 C ATOM 603 O ASP A 41 9.085 -10.320 -7.906 1.00 0.00 O ATOM 604 CB ASP A 41 9.234 -13.328 -9.276 1.00 0.00 C ATOM 605 CG ASP A 41 9.274 -13.123 -10.786 1.00 0.00 C ATOM 606 OD1 ASP A 41 10.019 -12.262 -11.228 1.00 0.00 O ATOM 607 OD2 ASP A 41 8.561 -13.829 -11.480 1.00 0.00 O ATOM 0 H ASP A 41 6.875 -13.313 -10.041 1.00 0.00 H new ATOM 0 HA ASP A 41 8.091 -12.636 -7.589 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.211 -13.111 -8.845 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.009 -14.370 -9.048 1.00 0.00 H new ATOM 612 N SER A 42 8.390 -10.448 -10.045 1.00 0.00 N ATOM 613 CA SER A 42 8.746 -9.062 -10.348 1.00 0.00 C ATOM 614 C SER A 42 8.425 -8.726 -11.801 1.00 0.00 C ATOM 615 O SER A 42 7.938 -7.639 -12.105 1.00 0.00 O ATOM 616 CB SER A 42 10.238 -8.821 -10.104 1.00 0.00 C ATOM 617 OG SER A 42 10.430 -7.485 -9.655 1.00 0.00 O ATOM 0 H SER A 42 7.985 -10.964 -10.826 1.00 0.00 H new ATOM 0 HA SER A 42 8.160 -8.421 -9.689 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.615 -9.524 -9.362 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.801 -8.993 -11.021 1.00 0.00 H new ATOM 0 HG SER A 42 10.223 -7.428 -8.699 1.00 0.00 H new ATOM 623 N LEU A 43 8.711 -9.670 -12.696 1.00 0.00 N ATOM 624 CA LEU A 43 8.456 -9.462 -14.122 1.00 0.00 C ATOM 625 C LEU A 43 6.977 -9.177 -14.375 1.00 0.00 C ATOM 626 O LEU A 43 6.626 -8.319 -15.186 1.00 0.00 O ATOM 627 CB LEU A 43 8.870 -10.696 -14.925 1.00 0.00 C ATOM 628 CG LEU A 43 10.335 -10.563 -15.346 1.00 0.00 C ATOM 629 CD1 LEU A 43 10.976 -11.951 -15.412 1.00 0.00 C ATOM 630 CD2 LEU A 43 10.412 -9.903 -16.725 1.00 0.00 C ATOM 0 H LEU A 43 9.115 -10.577 -12.464 1.00 0.00 H new ATOM 0 HA LEU A 43 9.046 -8.603 -14.442 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.733 -11.596 -14.325 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.236 -10.800 -15.805 1.00 0.00 H new ATOM 0 HG LEU A 43 10.867 -9.950 -14.618 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.020 -11.856 -15.712 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.922 -12.424 -14.431 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.444 -12.563 -16.140 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.456 -9.808 -17.025 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.880 -10.516 -17.452 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.956 -8.914 -16.681 1.00 0.00 H new ATOM 642 N ALA A 44 6.115 -9.907 -13.673 1.00 0.00 N ATOM 643 CA ALA A 44 4.674 -9.726 -13.831 1.00 0.00 C ATOM 644 C ALA A 44 4.270 -8.307 -13.444 1.00 0.00 C ATOM 645 O ALA A 44 3.558 -7.624 -14.181 1.00 0.00 O ATOM 646 CB ALA A 44 3.909 -10.716 -12.952 1.00 0.00 C ATOM 0 H ALA A 44 6.384 -10.622 -12.997 1.00 0.00 H new ATOM 0 HA ALA A 44 4.427 -9.904 -14.878 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.837 -10.566 -13.083 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.171 -11.735 -13.239 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.173 -10.554 -11.907 1.00 0.00 H new ATOM 652 N LEU A 45 4.736 -7.872 -12.278 1.00 0.00 N ATOM 653 CA LEU A 45 4.423 -6.529 -11.792 1.00 0.00 C ATOM 654 C LEU A 45 5.447 -5.497 -12.276 1.00 0.00 C ATOM 655 O LEU A 45 5.435 -4.348 -11.838 1.00 0.00 O ATOM 656 CB LEU A 45 4.398 -6.521 -10.268 1.00 0.00 C ATOM 657 CG LEU A 45 5.735 -7.044 -9.716 1.00 0.00 C ATOM 658 CD1 LEU A 45 6.232 -6.121 -8.602 1.00 0.00 C ATOM 659 CD2 LEU A 45 5.544 -8.452 -9.144 1.00 0.00 C ATOM 0 H LEU A 45 5.327 -8.423 -11.655 1.00 0.00 H new ATOM 0 HA LEU A 45 3.445 -6.258 -12.189 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.216 -5.510 -9.905 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.578 -7.142 -9.906 1.00 0.00 H new ATOM 0 HG LEU A 45 6.464 -7.070 -10.526 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.179 -6.496 -8.214 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.375 -5.116 -8.999 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.497 -6.093 -7.798 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.494 -8.818 -8.754 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.809 -8.421 -8.340 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.193 -9.120 -9.931 1.00 0.00 H new ATOM 671 N MET A 46 6.333 -5.915 -13.175 1.00 0.00 N ATOM 672 CA MET A 46 7.355 -5.011 -13.702 1.00 0.00 C ATOM 673 C MET A 46 6.727 -3.962 -14.613 1.00 0.00 C ATOM 674 O MET A 46 6.873 -2.760 -14.392 1.00 0.00 O ATOM 675 CB MET A 46 8.405 -5.789 -14.497 1.00 0.00 C ATOM 676 CG MET A 46 9.575 -4.863 -14.842 1.00 0.00 C ATOM 677 SD MET A 46 10.653 -4.691 -13.400 1.00 0.00 S ATOM 678 CE MET A 46 11.967 -3.747 -14.210 1.00 0.00 C ATOM 0 H MET A 46 6.366 -6.862 -13.552 1.00 0.00 H new ATOM 0 HA MET A 46 7.831 -4.519 -12.853 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.760 -6.640 -13.915 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.963 -6.189 -15.409 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.137 -5.268 -15.684 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.201 -3.886 -15.149 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.754 -3.527 -13.489 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.381 -4.331 -15.032 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.559 -2.814 -14.598 1.00 0.00 H new ATOM 688 N GLU A 47 6.032 -4.432 -15.645 1.00 0.00 N ATOM 689 CA GLU A 47 5.388 -3.527 -16.596 1.00 0.00 C ATOM 690 C GLU A 47 4.351 -2.654 -15.895 1.00 0.00 C ATOM 691 O GLU A 47 4.158 -1.492 -16.250 1.00 0.00 O ATOM 692 CB GLU A 47 4.699 -4.322 -17.708 1.00 0.00 C ATOM 693 CG GLU A 47 4.645 -3.477 -18.981 1.00 0.00 C ATOM 694 CD GLU A 47 4.187 -4.344 -20.148 1.00 0.00 C ATOM 695 OE1 GLU A 47 2.991 -4.535 -20.285 1.00 0.00 O ATOM 696 OE2 GLU A 47 5.040 -4.804 -20.889 1.00 0.00 O ATOM 0 H GLU A 47 5.900 -5.424 -15.844 1.00 0.00 H new ATOM 0 HA GLU A 47 6.162 -2.891 -17.026 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.241 -5.249 -17.897 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.691 -4.600 -17.400 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.960 -2.640 -18.846 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.627 -3.055 -19.192 1.00 0.00 H new ATOM 703 N THR A 48 3.686 -3.229 -14.898 1.00 0.00 N ATOM 704 CA THR A 48 2.667 -2.494 -14.152 1.00 0.00 C ATOM 705 C THR A 48 3.288 -1.296 -13.440 1.00 0.00 C ATOM 706 O THR A 48 2.742 -0.193 -13.455 1.00 0.00 O ATOM 707 CB THR A 48 2.006 -3.403 -13.114 1.00 0.00 C ATOM 708 OG1 THR A 48 1.564 -4.598 -13.744 1.00 0.00 O ATOM 709 CG2 THR A 48 0.811 -2.684 -12.488 1.00 0.00 C ATOM 0 H THR A 48 3.831 -4.190 -14.589 1.00 0.00 H new ATOM 0 HA THR A 48 1.916 -2.146 -14.861 1.00 0.00 H new ATOM 0 HB THR A 48 2.728 -3.648 -12.335 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.142 -5.181 -13.079 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.342 -3.334 -11.749 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.150 -1.769 -12.003 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.088 -2.436 -13.265 1.00 0.00 H new ATOM 717 N ALA A 49 4.434 -1.531 -12.809 1.00 0.00 N ATOM 718 CA ALA A 49 5.129 -0.470 -12.083 1.00 0.00 C ATOM 719 C ALA A 49 5.739 0.551 -13.044 1.00 0.00 C ATOM 720 O ALA A 49 5.971 1.702 -12.675 1.00 0.00 O ATOM 721 CB ALA A 49 6.244 -1.061 -11.217 1.00 0.00 C ATOM 0 H ALA A 49 4.899 -2.438 -12.784 1.00 0.00 H new ATOM 0 HA ALA A 49 4.394 0.031 -11.453 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.753 -0.259 -10.682 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.815 -1.761 -10.500 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.959 -1.585 -11.852 1.00 0.00 H new ATOM 727 N ALA A 50 6.001 0.123 -14.278 1.00 0.00 N ATOM 728 CA ALA A 50 6.591 1.018 -15.272 1.00 0.00 C ATOM 729 C ALA A 50 5.604 2.114 -15.662 1.00 0.00 C ATOM 730 O ALA A 50 5.882 3.303 -15.508 1.00 0.00 O ATOM 731 CB ALA A 50 6.988 0.238 -16.526 1.00 0.00 C ATOM 0 H ALA A 50 5.817 -0.824 -14.610 1.00 0.00 H new ATOM 0 HA ALA A 50 7.478 1.471 -14.828 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.425 0.920 -17.255 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.717 -0.528 -16.262 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.105 -0.235 -16.955 1.00 0.00 H new ATOM 737 N ARG A 51 4.448 1.700 -16.177 1.00 0.00 N ATOM 738 CA ARG A 51 3.424 2.654 -16.595 1.00 0.00 C ATOM 739 C ARG A 51 2.962 3.504 -15.415 1.00 0.00 C ATOM 740 O ARG A 51 2.736 4.707 -15.549 1.00 0.00 O ATOM 741 CB ARG A 51 2.218 1.918 -17.182 1.00 0.00 C ATOM 742 CG ARG A 51 2.551 1.435 -18.597 1.00 0.00 C ATOM 743 CD ARG A 51 1.912 0.065 -18.835 1.00 0.00 C ATOM 744 NE ARG A 51 0.456 0.165 -18.815 1.00 0.00 N ATOM 745 CZ ARG A 51 -0.278 -0.328 -19.809 1.00 0.00 C ATOM 746 NH1 ARG A 51 0.050 -1.465 -20.359 1.00 0.00 N ATOM 747 NH2 ARG A 51 -1.324 0.326 -20.234 1.00 0.00 N ATOM 0 H ARG A 51 4.199 0.720 -16.314 1.00 0.00 H new ATOM 0 HA ARG A 51 3.862 3.302 -17.354 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.954 1.070 -16.550 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.352 2.579 -17.207 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.184 2.151 -19.332 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.631 1.371 -18.726 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.241 -0.334 -19.795 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.244 -0.635 -18.068 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.006 0.620 -18.027 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.869 -1.975 -20.027 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.512 -1.844 -21.121 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.579 1.215 -19.804 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.887 -0.052 -20.996 1.00 0.00 H new ATOM 761 N LEU A 52 2.825 2.866 -14.256 1.00 0.00 N ATOM 762 CA LEU A 52 2.388 3.575 -13.056 1.00 0.00 C ATOM 763 C LEU A 52 3.438 4.591 -12.610 1.00 0.00 C ATOM 764 O LEU A 52 3.116 5.595 -11.974 1.00 0.00 O ATOM 765 CB LEU A 52 2.133 2.590 -11.913 1.00 0.00 C ATOM 766 CG LEU A 52 1.008 3.120 -11.024 1.00 0.00 C ATOM 767 CD1 LEU A 52 -0.335 2.594 -11.531 1.00 0.00 C ATOM 768 CD2 LEU A 52 1.229 2.647 -9.585 1.00 0.00 C ATOM 0 H LEU A 52 3.008 1.871 -14.122 1.00 0.00 H new ATOM 0 HA LEU A 52 1.464 4.098 -13.301 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.864 1.613 -12.314 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.041 2.455 -11.326 1.00 0.00 H new ATOM 0 HG LEU A 52 1.006 4.210 -11.053 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.137 2.972 -10.897 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.494 2.930 -12.556 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.333 1.504 -11.502 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.427 3.025 -8.951 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.232 1.557 -9.557 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.186 3.022 -9.222 1.00 0.00 H new ATOM 780 N GLU A 53 4.699 4.323 -12.947 1.00 0.00 N ATOM 781 CA GLU A 53 5.788 5.224 -12.570 1.00 0.00 C ATOM 782 C GLU A 53 5.565 6.619 -13.152 1.00 0.00 C ATOM 783 O GLU A 53 5.974 7.621 -12.568 1.00 0.00 O ATOM 784 CB GLU A 53 7.131 4.686 -13.072 1.00 0.00 C ATOM 785 CG GLU A 53 8.267 5.242 -12.206 1.00 0.00 C ATOM 786 CD GLU A 53 8.924 6.425 -12.913 1.00 0.00 C ATOM 787 OE1 GLU A 53 8.215 7.163 -13.576 1.00 0.00 O ATOM 788 OE2 GLU A 53 10.128 6.575 -12.778 1.00 0.00 O ATOM 0 H GLU A 53 4.990 3.500 -13.474 1.00 0.00 H new ATOM 0 HA GLU A 53 5.803 5.285 -11.482 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.133 3.597 -13.036 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.282 4.971 -14.113 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.878 5.556 -11.237 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.006 4.464 -12.016 1.00 0.00 H new ATOM 795 N SER A 54 4.912 6.669 -14.309 1.00 0.00 N ATOM 796 CA SER A 54 4.640 7.948 -14.963 1.00 0.00 C ATOM 797 C SER A 54 3.266 8.488 -14.562 1.00 0.00 C ATOM 798 O SER A 54 3.012 9.689 -14.642 1.00 0.00 O ATOM 799 CB SER A 54 4.685 7.788 -16.483 1.00 0.00 C ATOM 800 OG SER A 54 3.520 7.099 -16.918 1.00 0.00 O ATOM 0 H SER A 54 4.564 5.851 -14.809 1.00 0.00 H new ATOM 0 HA SER A 54 5.408 8.652 -14.643 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.743 8.766 -16.961 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.578 7.236 -16.776 1.00 0.00 H new ATOM 0 HG SER A 54 3.372 6.315 -16.349 1.00 0.00 H new ATOM 806 N ARG A 55 2.379 7.588 -14.134 1.00 0.00 N ATOM 807 CA ARG A 55 1.032 7.986 -13.731 1.00 0.00 C ATOM 808 C ARG A 55 1.077 9.020 -12.607 1.00 0.00 C ATOM 809 O ARG A 55 0.518 10.111 -12.726 1.00 0.00 O ATOM 810 CB ARG A 55 0.241 6.768 -13.250 1.00 0.00 C ATOM 811 CG ARG A 55 -1.232 7.148 -13.067 1.00 0.00 C ATOM 812 CD ARG A 55 -2.032 6.722 -14.300 1.00 0.00 C ATOM 813 NE ARG A 55 -1.833 7.665 -15.397 1.00 0.00 N ATOM 814 CZ ARG A 55 -2.850 8.365 -15.893 1.00 0.00 C ATOM 815 NH1 ARG A 55 -3.365 9.346 -15.202 1.00 0.00 N ATOM 816 NH2 ARG A 55 -3.332 8.071 -17.069 1.00 0.00 N ATOM 0 H ARG A 55 2.568 6.588 -14.058 1.00 0.00 H new ATOM 0 HA ARG A 55 0.544 8.426 -14.601 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.330 5.956 -13.972 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.652 6.404 -12.309 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.634 6.665 -12.176 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.324 8.224 -12.916 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.724 5.724 -14.612 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.092 6.666 -14.050 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.900 7.789 -15.789 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.988 9.575 -14.283 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.145 9.883 -15.582 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.929 7.305 -17.608 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.112 8.608 -17.449 1.00 0.00 H new ATOM 830 N TYR A 56 1.740 8.663 -11.511 1.00 0.00 N ATOM 831 CA TYR A 56 1.841 9.568 -10.368 1.00 0.00 C ATOM 832 C TYR A 56 3.213 10.236 -10.324 1.00 0.00 C ATOM 833 O TYR A 56 3.332 11.415 -9.988 1.00 0.00 O ATOM 834 CB TYR A 56 1.611 8.806 -9.061 1.00 0.00 C ATOM 835 CG TYR A 56 0.139 8.819 -8.723 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.496 10.027 -8.410 1.00 0.00 C ATOM 837 CD2 TYR A 56 -0.593 7.624 -8.725 1.00 0.00 C ATOM 838 CE1 TYR A 56 -1.861 10.041 -8.098 1.00 0.00 C ATOM 839 CE2 TYR A 56 -1.958 7.639 -8.414 1.00 0.00 C ATOM 840 CZ TYR A 56 -2.592 8.847 -8.101 1.00 0.00 C ATOM 841 OH TYR A 56 -3.937 8.862 -7.794 1.00 0.00 O ATOM 0 H TYR A 56 2.210 7.766 -11.389 1.00 0.00 H new ATOM 0 HA TYR A 56 1.075 10.335 -10.482 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.963 7.779 -9.159 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.184 9.264 -8.255 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.067 10.948 -8.409 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.104 6.692 -8.966 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.350 10.973 -7.855 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.522 6.718 -8.416 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.294 7.951 -7.843 1.00 0.00 H new ATOM 851 N GLY A 57 4.247 9.472 -10.663 1.00 0.00 N ATOM 852 CA GLY A 57 5.607 10.007 -10.654 1.00 0.00 C ATOM 853 C GLY A 57 6.269 9.773 -9.301 1.00 0.00 C ATOM 854 O GLY A 57 7.075 10.581 -8.840 1.00 0.00 O ATOM 0 H GLY A 57 4.173 8.494 -10.944 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.195 9.532 -11.439 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.585 11.074 -10.874 1.00 0.00 H new ATOM 858 N VAL A 58 5.915 8.659 -8.669 1.00 0.00 N ATOM 859 CA VAL A 58 6.475 8.324 -7.368 1.00 0.00 C ATOM 860 C VAL A 58 7.974 8.050 -7.486 1.00 0.00 C ATOM 861 O VAL A 58 8.487 7.760 -8.568 1.00 0.00 O ATOM 862 CB VAL A 58 5.755 7.095 -6.792 1.00 0.00 C ATOM 863 CG1 VAL A 58 5.962 5.884 -7.706 1.00 0.00 C ATOM 864 CG2 VAL A 58 6.299 6.780 -5.399 1.00 0.00 C ATOM 0 H VAL A 58 5.248 7.979 -9.034 1.00 0.00 H new ATOM 0 HA VAL A 58 6.331 9.169 -6.695 1.00 0.00 H new ATOM 0 HB VAL A 58 4.689 7.314 -6.725 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.447 5.020 -7.287 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.559 6.102 -8.695 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.027 5.667 -7.787 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.784 5.908 -4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.367 6.573 -5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.134 7.634 -4.742 1.00 0.00 H new ATOM 874 N SER A 59 8.667 8.145 -6.356 1.00 0.00 N ATOM 875 CA SER A 59 10.108 7.907 -6.331 1.00 0.00 C ATOM 876 C SER A 59 10.440 6.754 -5.388 1.00 0.00 C ATOM 877 O SER A 59 10.308 6.872 -4.170 1.00 0.00 O ATOM 878 CB SER A 59 10.850 9.159 -5.865 1.00 0.00 C ATOM 879 OG SER A 59 10.706 10.181 -6.843 1.00 0.00 O ATOM 0 H SER A 59 8.259 8.383 -5.452 1.00 0.00 H new ATOM 0 HA SER A 59 10.425 7.654 -7.343 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.452 9.497 -4.908 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.905 8.934 -5.710 1.00 0.00 H new ATOM 0 HG SER A 59 11.179 10.986 -6.547 1.00 0.00 H new ATOM 885 N ILE A 60 10.875 5.638 -5.966 1.00 0.00 N ATOM 886 CA ILE A 60 11.226 4.465 -5.169 1.00 0.00 C ATOM 887 C ILE A 60 12.245 3.597 -5.914 1.00 0.00 C ATOM 888 O ILE A 60 12.381 3.704 -7.133 1.00 0.00 O ATOM 889 CB ILE A 60 9.981 3.627 -4.869 1.00 0.00 C ATOM 890 CG1 ILE A 60 9.253 3.310 -6.177 1.00 0.00 C ATOM 891 CG2 ILE A 60 9.048 4.410 -3.945 1.00 0.00 C ATOM 892 CD1 ILE A 60 8.527 1.970 -6.044 1.00 0.00 C ATOM 0 H ILE A 60 10.992 5.520 -6.972 1.00 0.00 H new ATOM 0 HA ILE A 60 11.661 4.814 -4.233 1.00 0.00 H new ATOM 0 HB ILE A 60 10.278 2.698 -4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.540 4.101 -6.410 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.965 3.270 -7.002 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.162 3.813 -3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.565 4.637 -3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.751 5.339 -4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.008 1.743 -6.975 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.251 1.183 -5.831 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.804 2.027 -5.230 1.00 0.00 H new ATOM 904 N PRO A 61 12.976 2.726 -5.198 1.00 0.00 N ATOM 905 CA PRO A 61 13.981 1.852 -5.828 1.00 0.00 C ATOM 906 C PRO A 61 13.369 0.599 -6.452 1.00 0.00 C ATOM 907 O PRO A 61 12.213 0.261 -6.200 1.00 0.00 O ATOM 908 CB PRO A 61 14.879 1.487 -4.652 1.00 0.00 C ATOM 909 CG PRO A 61 14.047 1.653 -3.385 1.00 0.00 C ATOM 910 CD PRO A 61 12.857 2.554 -3.730 1.00 0.00 C ATOM 0 HA PRO A 61 14.497 2.340 -6.655 1.00 0.00 H new ATOM 0 HB2 PRO A 61 15.239 0.462 -4.745 1.00 0.00 H new ATOM 0 HB3 PRO A 61 15.757 2.132 -4.623 1.00 0.00 H new ATOM 0 HG2 PRO A 61 13.702 0.684 -3.023 1.00 0.00 H new ATOM 0 HG3 PRO A 61 14.645 2.096 -2.589 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.909 2.092 -3.454 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.910 3.509 -3.207 1.00 0.00 H new ATOM 918 N ASP A 62 14.164 -0.081 -7.272 1.00 0.00 N ATOM 919 CA ASP A 62 13.705 -1.298 -7.941 1.00 0.00 C ATOM 920 C ASP A 62 13.941 -2.541 -7.074 1.00 0.00 C ATOM 921 O ASP A 62 13.466 -3.628 -7.399 1.00 0.00 O ATOM 922 CB ASP A 62 14.445 -1.476 -9.271 1.00 0.00 C ATOM 923 CG ASP A 62 13.609 -0.897 -10.408 1.00 0.00 C ATOM 924 OD1 ASP A 62 13.694 0.299 -10.629 1.00 0.00 O ATOM 925 OD2 ASP A 62 12.896 -1.660 -11.040 1.00 0.00 O ATOM 0 H ASP A 62 15.124 0.186 -7.490 1.00 0.00 H new ATOM 0 HA ASP A 62 12.634 -1.192 -8.115 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.413 -0.977 -9.229 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.639 -2.533 -9.451 1.00 0.00 H new ATOM 930 N ASP A 63 14.688 -2.385 -5.981 1.00 0.00 N ATOM 931 CA ASP A 63 14.976 -3.517 -5.103 1.00 0.00 C ATOM 932 C ASP A 63 13.809 -3.792 -4.157 1.00 0.00 C ATOM 933 O ASP A 63 13.428 -4.943 -3.942 1.00 0.00 O ATOM 934 CB ASP A 63 16.231 -3.239 -4.272 1.00 0.00 C ATOM 935 CG ASP A 63 16.744 -4.545 -3.674 1.00 0.00 C ATOM 936 OD1 ASP A 63 15.923 -5.360 -3.289 1.00 0.00 O ATOM 937 OD2 ASP A 63 17.951 -4.708 -3.608 1.00 0.00 O ATOM 0 H ASP A 63 15.099 -1.499 -5.686 1.00 0.00 H new ATOM 0 HA ASP A 63 15.135 -4.391 -5.735 1.00 0.00 H new ATOM 0 HB2 ASP A 63 17.001 -2.785 -4.897 1.00 0.00 H new ATOM 0 HB3 ASP A 63 16.004 -2.527 -3.478 1.00 0.00 H new ATOM 942 N VAL A 64 13.255 -2.728 -3.582 1.00 0.00 N ATOM 943 CA VAL A 64 12.141 -2.876 -2.647 1.00 0.00 C ATOM 944 C VAL A 64 10.858 -3.280 -3.377 1.00 0.00 C ATOM 945 O VAL A 64 10.132 -4.172 -2.937 1.00 0.00 O ATOM 946 CB VAL A 64 11.916 -1.567 -1.869 1.00 0.00 C ATOM 947 CG1 VAL A 64 11.485 -0.446 -2.821 1.00 0.00 C ATOM 948 CG2 VAL A 64 10.831 -1.778 -0.809 1.00 0.00 C ATOM 0 H VAL A 64 13.553 -1.766 -3.743 1.00 0.00 H new ATOM 0 HA VAL A 64 12.397 -3.668 -1.943 1.00 0.00 H new ATOM 0 HB VAL A 64 12.851 -1.282 -1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.330 0.473 -2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.262 -0.285 -3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.556 -0.727 -3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.674 -0.850 -0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.901 -2.075 -1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.145 -2.560 -0.118 1.00 0.00 H new ATOM 958 N ALA A 65 10.585 -2.612 -4.493 1.00 0.00 N ATOM 959 CA ALA A 65 9.384 -2.908 -5.271 1.00 0.00 C ATOM 960 C ALA A 65 9.596 -4.131 -6.161 1.00 0.00 C ATOM 961 O ALA A 65 8.647 -4.837 -6.501 1.00 0.00 O ATOM 962 CB ALA A 65 9.008 -1.714 -6.150 1.00 0.00 C ATOM 0 H ALA A 65 11.170 -1.870 -4.877 1.00 0.00 H new ATOM 0 HA ALA A 65 8.578 -3.114 -4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.111 -1.952 -6.723 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.817 -0.845 -5.521 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.827 -1.493 -6.834 1.00 0.00 H new ATOM 968 N GLY A 66 10.848 -4.373 -6.540 1.00 0.00 N ATOM 969 CA GLY A 66 11.167 -5.514 -7.395 1.00 0.00 C ATOM 970 C GLY A 66 11.044 -6.824 -6.625 1.00 0.00 C ATOM 971 O GLY A 66 10.713 -7.865 -7.193 1.00 0.00 O ATOM 0 H GLY A 66 11.650 -3.802 -6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.496 -5.528 -8.254 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.180 -5.410 -7.784 1.00 0.00 H new ATOM 975 N ARG A 67 11.317 -6.764 -5.325 1.00 0.00 N ATOM 976 CA ARG A 67 11.234 -7.958 -4.487 1.00 0.00 C ATOM 977 C ARG A 67 9.962 -7.935 -3.646 1.00 0.00 C ATOM 978 O ARG A 67 9.930 -8.460 -2.532 1.00 0.00 O ATOM 979 CB ARG A 67 12.445 -8.046 -3.556 1.00 0.00 C ATOM 980 CG ARG A 67 13.602 -8.736 -4.283 1.00 0.00 C ATOM 981 CD ARG A 67 13.391 -10.251 -4.257 1.00 0.00 C ATOM 982 NE ARG A 67 14.674 -10.950 -4.211 1.00 0.00 N ATOM 983 CZ ARG A 67 14.740 -12.272 -4.346 1.00 0.00 C ATOM 984 NH1 ARG A 67 13.950 -13.040 -3.647 1.00 0.00 N ATOM 985 NH2 ARG A 67 15.596 -12.802 -5.176 1.00 0.00 N ATOM 0 H ARG A 67 11.594 -5.914 -4.833 1.00 0.00 H new ATOM 0 HA ARG A 67 11.218 -8.827 -5.145 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.746 -7.048 -3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.185 -8.602 -2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.660 -8.384 -5.313 1.00 0.00 H new ATOM 0 HG3 ARG A 67 14.548 -8.482 -3.806 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.791 -10.525 -3.389 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.834 -10.561 -5.141 1.00 0.00 H new ATOM 0 HE ARG A 67 15.532 -10.416 -4.073 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.281 -12.627 -2.997 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.001 -14.053 -3.751 1.00 0.00 H new ATOM 0 HH21 ARG A 67 16.215 -12.203 -5.722 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.646 -13.816 -5.279 1.00 0.00 H new ATOM 999 N VAL A 68 8.911 -7.325 -4.189 1.00 0.00 N ATOM 1000 CA VAL A 68 7.642 -7.246 -3.471 1.00 0.00 C ATOM 1001 C VAL A 68 6.966 -8.620 -3.446 1.00 0.00 C ATOM 1002 O VAL A 68 6.490 -9.118 -4.466 1.00 0.00 O ATOM 1003 CB VAL A 68 6.711 -6.205 -4.122 1.00 0.00 C ATOM 1004 CG1 VAL A 68 6.366 -6.615 -5.556 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.420 -6.085 -3.307 1.00 0.00 C ATOM 0 H VAL A 68 8.911 -6.885 -5.109 1.00 0.00 H new ATOM 0 HA VAL A 68 7.843 -6.932 -2.447 1.00 0.00 H new ATOM 0 HB VAL A 68 7.226 -5.245 -4.142 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.708 -5.868 -6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.281 -6.687 -6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.863 -7.582 -5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.764 -5.348 -3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.917 -7.051 -3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.659 -5.770 -2.291 1.00 0.00 H new ATOM 1015 N ASP A 69 6.939 -9.227 -2.263 1.00 0.00 N ATOM 1016 CA ASP A 69 6.328 -10.545 -2.106 1.00 0.00 C ATOM 1017 C ASP A 69 4.863 -10.437 -1.673 1.00 0.00 C ATOM 1018 O ASP A 69 4.121 -11.418 -1.730 1.00 0.00 O ATOM 1019 CB ASP A 69 7.091 -11.365 -1.064 1.00 0.00 C ATOM 1020 CG ASP A 69 8.228 -12.122 -1.742 1.00 0.00 C ATOM 1021 OD1 ASP A 69 7.957 -13.153 -2.334 1.00 0.00 O ATOM 1022 OD2 ASP A 69 9.353 -11.658 -1.660 1.00 0.00 O ATOM 0 H ASP A 69 7.329 -8.833 -1.407 1.00 0.00 H new ATOM 0 HA ASP A 69 6.373 -11.040 -3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.488 -10.709 -0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.416 -12.066 -0.572 1.00 0.00 H new ATOM 1027 N THR A 70 4.448 -9.248 -1.236 1.00 0.00 N ATOM 1028 CA THR A 70 3.069 -9.054 -0.802 1.00 0.00 C ATOM 1029 C THR A 70 2.459 -7.828 -1.488 1.00 0.00 C ATOM 1030 O THR A 70 3.184 -6.945 -1.945 1.00 0.00 O ATOM 1031 CB THR A 70 3.007 -8.860 0.715 1.00 0.00 C ATOM 1032 OG1 THR A 70 4.136 -8.110 1.141 1.00 0.00 O ATOM 1033 CG2 THR A 70 3.006 -10.224 1.408 1.00 0.00 C ATOM 0 H THR A 70 5.038 -8.418 -1.174 1.00 0.00 H new ATOM 0 HA THR A 70 2.502 -9.943 -1.077 1.00 0.00 H new ATOM 0 HB THR A 70 2.095 -8.324 0.976 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.097 -7.983 2.112 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.962 -10.083 2.488 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.139 -10.798 1.081 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.917 -10.764 1.149 1.00 0.00 H new ATOM 1041 N PRO A 71 1.119 -7.754 -1.568 1.00 0.00 N ATOM 1042 CA PRO A 71 0.440 -6.610 -2.206 1.00 0.00 C ATOM 1043 C PRO A 71 0.382 -5.391 -1.291 1.00 0.00 C ATOM 1044 O PRO A 71 0.666 -4.268 -1.707 1.00 0.00 O ATOM 1045 CB PRO A 71 -0.958 -7.157 -2.459 1.00 0.00 C ATOM 1046 CG PRO A 71 -1.179 -8.280 -1.456 1.00 0.00 C ATOM 1047 CD PRO A 71 0.201 -8.787 -1.031 1.00 0.00 C ATOM 0 HA PRO A 71 0.954 -6.263 -3.103 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.707 -6.375 -2.335 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.049 -7.527 -3.480 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.739 -7.920 -0.593 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.764 -9.085 -1.902 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.282 -8.874 0.052 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.414 -9.772 -1.447 1.00 0.00 H new ATOM 1055 N ARG A 72 0.012 -5.632 -0.033 1.00 0.00 N ATOM 1056 CA ARG A 72 -0.084 -4.556 0.955 1.00 0.00 C ATOM 1057 C ARG A 72 1.231 -3.776 1.056 1.00 0.00 C ATOM 1058 O ARG A 72 1.247 -2.623 1.486 1.00 0.00 O ATOM 1059 CB ARG A 72 -0.425 -5.129 2.331 1.00 0.00 C ATOM 1060 CG ARG A 72 -1.013 -4.027 3.214 1.00 0.00 C ATOM 1061 CD ARG A 72 -2.506 -3.872 2.918 1.00 0.00 C ATOM 1062 NE ARG A 72 -3.237 -3.516 4.130 1.00 0.00 N ATOM 1063 CZ ARG A 72 -4.412 -2.896 4.065 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -5.509 -3.591 3.934 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -4.468 -1.594 4.130 1.00 0.00 N ATOM 0 H ARG A 72 -0.225 -6.557 0.325 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.873 -3.879 0.627 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.138 -5.947 2.229 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.470 -5.543 2.796 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.864 -4.272 4.266 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.496 -3.085 3.030 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.654 -3.104 2.159 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.900 -4.803 2.510 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.841 -3.746 5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.465 -4.609 3.882 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.410 -3.116 3.884 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.610 -1.051 4.231 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.369 -1.119 4.080 1.00 0.00 H new ATOM 1079 N GLU A 73 2.333 -4.414 0.660 1.00 0.00 N ATOM 1080 CA GLU A 73 3.639 -3.763 0.716 1.00 0.00 C ATOM 1081 C GLU A 73 3.771 -2.724 -0.396 1.00 0.00 C ATOM 1082 O GLU A 73 4.203 -1.597 -0.163 1.00 0.00 O ATOM 1083 CB GLU A 73 4.758 -4.797 0.567 1.00 0.00 C ATOM 1084 CG GLU A 73 6.108 -4.133 0.846 1.00 0.00 C ATOM 1085 CD GLU A 73 7.108 -5.187 1.305 1.00 0.00 C ATOM 1086 OE1 GLU A 73 7.209 -6.209 0.645 1.00 0.00 O ATOM 1087 OE2 GLU A 73 7.760 -4.959 2.312 1.00 0.00 O ATOM 0 H GLU A 73 2.347 -5.369 0.302 1.00 0.00 H new ATOM 0 HA GLU A 73 3.725 -3.269 1.684 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.598 -5.624 1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.748 -5.217 -0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.474 -3.637 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.996 -3.365 1.611 1.00 0.00 H new ATOM 1094 N LEU A 74 3.394 -3.119 -1.612 1.00 0.00 N ATOM 1095 CA LEU A 74 3.475 -2.216 -2.761 1.00 0.00 C ATOM 1096 C LEU A 74 2.633 -0.962 -2.520 1.00 0.00 C ATOM 1097 O LEU A 74 3.080 0.163 -2.756 1.00 0.00 O ATOM 1098 CB LEU A 74 2.977 -2.922 -4.030 1.00 0.00 C ATOM 1099 CG LEU A 74 3.861 -2.537 -5.221 1.00 0.00 C ATOM 1100 CD1 LEU A 74 4.949 -3.594 -5.413 1.00 0.00 C ATOM 1101 CD2 LEU A 74 3.004 -2.456 -6.486 1.00 0.00 C ATOM 0 H LEU A 74 3.033 -4.049 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 74 4.518 -1.928 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.995 -4.002 -3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.942 -2.644 -4.229 1.00 0.00 H new ATOM 0 HG LEU A 74 4.324 -1.569 -5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.577 -3.320 -6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.560 -3.655 -4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.486 -4.562 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.632 -2.182 -7.334 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.542 -3.425 -6.675 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.227 -1.703 -6.352 1.00 0.00 H new ATOM 1113 N LEU A 75 1.410 -1.174 -2.045 1.00 0.00 N ATOM 1114 CA LEU A 75 0.500 -0.065 -1.767 1.00 0.00 C ATOM 1115 C LEU A 75 1.108 0.888 -0.738 1.00 0.00 C ATOM 1116 O LEU A 75 1.172 2.090 -0.955 1.00 0.00 O ATOM 1117 CB LEU A 75 -0.835 -0.604 -1.237 1.00 0.00 C ATOM 1118 CG LEU A 75 -1.828 0.543 -1.012 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -2.598 0.820 -2.302 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -2.811 0.143 0.086 1.00 0.00 C ATOM 0 H LEU A 75 1.026 -2.098 -1.845 1.00 0.00 H new ATOM 0 HA LEU A 75 0.332 0.481 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.252 -1.319 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.672 -1.140 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.286 1.441 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.302 1.636 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.899 1.098 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.143 -0.076 -2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.521 0.954 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.350 -0.755 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.265 -0.056 1.008 1.00 0.00 H new ATOM 1132 N ASP A 76 1.539 0.334 0.389 1.00 0.00 N ATOM 1133 CA ASP A 76 2.128 1.149 1.452 1.00 0.00 C ATOM 1134 C ASP A 76 3.390 1.878 0.975 1.00 0.00 C ATOM 1135 O ASP A 76 3.811 2.863 1.582 1.00 0.00 O ATOM 1136 CB ASP A 76 2.491 0.272 2.652 1.00 0.00 C ATOM 1137 CG ASP A 76 2.724 1.152 3.875 1.00 0.00 C ATOM 1138 OD1 ASP A 76 1.756 1.693 4.384 1.00 0.00 O ATOM 1139 OD2 ASP A 76 3.867 1.271 4.287 1.00 0.00 O ATOM 0 H ASP A 76 1.494 -0.665 0.592 1.00 0.00 H new ATOM 0 HA ASP A 76 1.383 1.891 1.739 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.690 -0.440 2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.387 -0.309 2.433 1.00 0.00 H new ATOM 1144 N LEU A 77 3.999 1.383 -0.103 1.00 0.00 N ATOM 1145 CA LEU A 77 5.219 2.004 -0.624 1.00 0.00 C ATOM 1146 C LEU A 77 4.914 3.307 -1.355 1.00 0.00 C ATOM 1147 O LEU A 77 5.317 4.387 -0.925 1.00 0.00 O ATOM 1148 CB LEU A 77 5.930 1.061 -1.596 1.00 0.00 C ATOM 1149 CG LEU A 77 6.625 -0.047 -0.811 1.00 0.00 C ATOM 1150 CD1 LEU A 77 6.801 -1.276 -1.707 1.00 0.00 C ATOM 1151 CD2 LEU A 77 7.998 0.443 -0.342 1.00 0.00 C ATOM 0 H LEU A 77 3.676 0.569 -0.625 1.00 0.00 H new ATOM 0 HA LEU A 77 5.860 2.214 0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.212 0.631 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.659 1.614 -2.189 1.00 0.00 H new ATOM 0 HG LEU A 77 6.018 -0.313 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.298 -2.067 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.824 -1.626 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.407 -1.011 -2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.495 -0.349 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.604 0.710 -1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.874 1.317 0.297 1.00 0.00 H new ATOM 1163 N ILE A 78 4.209 3.188 -2.477 1.00 0.00 N ATOM 1164 CA ILE A 78 3.865 4.364 -3.286 1.00 0.00 C ATOM 1165 C ILE A 78 3.117 5.407 -2.450 1.00 0.00 C ATOM 1166 O ILE A 78 3.359 6.608 -2.562 1.00 0.00 O ATOM 1167 CB ILE A 78 2.996 3.950 -4.482 1.00 0.00 C ATOM 1168 CG1 ILE A 78 3.732 2.883 -5.303 1.00 0.00 C ATOM 1169 CG2 ILE A 78 2.717 5.167 -5.372 1.00 0.00 C ATOM 1170 CD1 ILE A 78 2.725 1.863 -5.838 1.00 0.00 C ATOM 0 H ILE A 78 3.866 2.302 -2.847 1.00 0.00 H new ATOM 0 HA ILE A 78 4.794 4.806 -3.646 1.00 0.00 H new ATOM 0 HB ILE A 78 2.052 3.548 -4.114 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.266 3.350 -6.130 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.477 2.383 -4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.100 4.865 -6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.193 5.928 -4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.660 5.574 -5.737 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.249 1.106 -6.421 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.211 1.387 -5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.997 2.369 -6.472 1.00 0.00 H new ATOM 1182 N ASN A 79 2.202 4.926 -1.619 1.00 0.00 N ATOM 1183 CA ASN A 79 1.405 5.806 -0.766 1.00 0.00 C ATOM 1184 C ASN A 79 2.294 6.540 0.237 1.00 0.00 C ATOM 1185 O ASN A 79 2.011 7.673 0.622 1.00 0.00 O ATOM 1186 CB ASN A 79 0.357 4.988 -0.002 1.00 0.00 C ATOM 1187 CG ASN A 79 -0.964 5.747 0.046 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -0.986 6.977 -0.013 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -2.080 5.078 0.152 1.00 0.00 N ATOM 0 H ASN A 79 1.991 3.933 -1.515 1.00 0.00 H new ATOM 0 HA ASN A 79 0.910 6.538 -1.404 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.213 4.022 -0.487 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.708 4.788 1.010 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.971 5.574 0.186 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.061 4.059 0.201 1.00 0.00 H new ATOM 1196 N GLY A 80 3.364 5.876 0.662 1.00 0.00 N ATOM 1197 CA GLY A 80 4.284 6.470 1.631 1.00 0.00 C ATOM 1198 C GLY A 80 5.139 7.559 0.987 1.00 0.00 C ATOM 1199 O GLY A 80 5.562 8.506 1.650 1.00 0.00 O ATOM 0 H GLY A 80 3.616 4.936 0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.718 6.892 2.462 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.929 5.695 2.046 1.00 0.00 H new ATOM 1203 N ALA A 81 5.395 7.411 -0.310 1.00 0.00 N ATOM 1204 CA ALA A 81 6.208 8.389 -1.029 1.00 0.00 C ATOM 1205 C ALA A 81 5.422 9.673 -1.273 1.00 0.00 C ATOM 1206 O ALA A 81 5.968 10.774 -1.198 1.00 0.00 O ATOM 1207 CB ALA A 81 6.662 7.819 -2.373 1.00 0.00 C ATOM 0 H ALA A 81 5.057 6.635 -0.879 1.00 0.00 H new ATOM 0 HA ALA A 81 7.079 8.614 -0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.267 8.559 -2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.255 6.920 -2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.789 7.571 -2.977 1.00 0.00 H new ATOM 1213 N LEU A 82 4.134 9.524 -1.570 1.00 0.00 N ATOM 1214 CA LEU A 82 3.283 10.684 -1.830 1.00 0.00 C ATOM 1215 C LEU A 82 2.930 11.400 -0.529 1.00 0.00 C ATOM 1216 O LEU A 82 2.741 12.616 -0.508 1.00 0.00 O ATOM 1217 CB LEU A 82 1.992 10.254 -2.530 1.00 0.00 C ATOM 1218 CG LEU A 82 2.197 10.292 -4.045 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.629 8.910 -4.535 1.00 0.00 C ATOM 1220 CD2 LEU A 82 0.885 10.688 -4.727 1.00 0.00 C ATOM 0 H LEU A 82 3.660 8.623 -1.636 1.00 0.00 H new ATOM 0 HA LEU A 82 3.838 11.366 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.712 9.249 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.174 10.916 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 82 2.969 11.022 -4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.775 8.936 -5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.563 8.627 -4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.857 8.180 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.030 10.715 -5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.113 9.958 -4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.576 11.673 -4.377 1.00 0.00 H new ATOM 1232 N ALA A 83 2.842 10.636 0.554 1.00 0.00 N ATOM 1233 CA ALA A 83 2.509 11.212 1.854 1.00 0.00 C ATOM 1234 C ALA A 83 3.642 12.108 2.344 1.00 0.00 C ATOM 1235 O ALA A 83 3.445 13.294 2.608 1.00 0.00 O ATOM 1236 CB ALA A 83 2.262 10.109 2.884 1.00 0.00 C ATOM 0 H ALA A 83 2.994 9.627 0.560 1.00 0.00 H new ATOM 0 HA ALA A 83 1.602 11.804 1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.015 10.558 3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.434 9.481 2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.160 9.500 2.988 1.00 0.00 H new ATOM 1242 N GLU A 84 4.832 11.525 2.461 1.00 0.00 N ATOM 1243 CA GLU A 84 5.998 12.272 2.920 1.00 0.00 C ATOM 1244 C GLU A 84 6.297 13.436 1.975 1.00 0.00 C ATOM 1245 O GLU A 84 6.802 14.478 2.393 1.00 0.00 O ATOM 1246 CB GLU A 84 7.222 11.349 2.992 1.00 0.00 C ATOM 1247 CG GLU A 84 7.985 11.602 4.294 1.00 0.00 C ATOM 1248 CD GLU A 84 7.506 10.626 5.363 1.00 0.00 C ATOM 1249 OE1 GLU A 84 7.993 9.508 5.378 1.00 0.00 O ATOM 1250 OE2 GLU A 84 6.657 11.011 6.150 1.00 0.00 O ATOM 0 H GLU A 84 5.013 10.545 2.246 1.00 0.00 H new ATOM 0 HA GLU A 84 5.781 12.667 3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.907 10.307 2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.874 11.527 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.056 11.481 4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.828 12.628 4.627 1.00 0.00 H new ATOM 1257 N ALA A 85 5.978 13.245 0.697 1.00 0.00 N ATOM 1258 CA ALA A 85 6.219 14.285 -0.301 1.00 0.00 C ATOM 1259 C ALA A 85 5.414 15.540 0.029 1.00 0.00 C ATOM 1260 O ALA A 85 5.966 16.551 0.463 1.00 0.00 O ATOM 1261 CB ALA A 85 5.825 13.790 -1.696 1.00 0.00 C ATOM 0 H ALA A 85 5.557 12.391 0.331 1.00 0.00 H new ATOM 0 HA ALA A 85 7.282 14.524 -0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.011 14.577 -2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.417 12.911 -1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.767 13.530 -1.704 1.00 0.00 H new ATOM 1267 N ALA A 86 4.102 15.465 -0.180 1.00 0.00 N ATOM 1268 CA ALA A 86 3.230 16.601 0.097 1.00 0.00 C ATOM 1269 C ALA A 86 2.086 16.183 1.016 1.00 0.00 C ATOM 1270 O ALA A 86 1.678 15.036 0.937 1.00 0.00 O ATOM 1271 CB ALA A 86 2.646 17.159 -1.203 1.00 0.00 C ATOM 1272 OXT ALA A 86 1.634 17.016 1.784 1.00 0.00 O ATOM 0 H ALA A 86 3.624 14.638 -0.537 1.00 0.00 H new ATOM 0 HA ALA A 86 3.827 17.371 0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.998 18.006 -0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.456 17.486 -1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.067 16.383 -1.704 1.00 0.00 H new TER 1278 ALA A 86