USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 481 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.00314 (180deg=-0.147) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 84:sc= 0.16 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= -1.09 (180deg=-1.78!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00364) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-6.6!) USER MOD Single : A 53 HIS : no HD1:sc= -0.85 K(o=-0.85,f=-0.21) USER MOD Single : A 54 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.012) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 56 HIS : no HD1:sc= -0.368 X(o=-0.37,f=-0.66) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.185 -37.835 -15.876 1.00 0.00 N ATOM 2 CA MET A 1 11.013 -37.730 -16.736 1.00 0.00 C ATOM 3 C MET A 1 9.783 -37.338 -15.922 1.00 0.00 C ATOM 4 O MET A 1 9.160 -36.308 -16.178 1.00 0.00 O ATOM 5 CB MET A 1 10.760 -39.064 -17.442 1.00 0.00 C ATOM 6 CG MET A 1 11.906 -39.356 -18.412 1.00 0.00 C ATOM 7 SD MET A 1 11.239 -39.636 -20.071 1.00 0.00 S ATOM 8 CE MET A 1 12.814 -39.586 -20.961 1.00 0.00 C ATOM 0 H1 MET A 1 12.953 -37.249 -16.262 1.00 0.00 H new ATOM 0 H2 MET A 1 11.945 -37.504 -14.920 1.00 0.00 H new ATOM 0 H3 MET A 1 12.495 -38.827 -15.831 1.00 0.00 H new ATOM 0 HA MET A 1 11.201 -36.957 -17.481 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.678 -39.866 -16.708 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.814 -39.028 -17.982 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.606 -38.520 -18.426 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.463 -40.232 -18.080 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.636 -39.740 -22.025 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.287 -38.616 -20.809 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.469 -40.372 -20.586 1.00 0.00 H new ATOM 18 N THR A 2 9.440 -38.165 -14.940 1.00 0.00 N ATOM 19 CA THR A 2 8.284 -37.890 -14.094 1.00 0.00 C ATOM 20 C THR A 2 8.707 -37.125 -12.844 1.00 0.00 C ATOM 21 O THR A 2 7.917 -36.946 -11.918 1.00 0.00 O ATOM 22 CB THR A 2 7.603 -39.199 -13.691 1.00 0.00 C ATOM 23 OG1 THR A 2 8.237 -39.724 -12.532 1.00 0.00 O ATOM 24 CG2 THR A 2 7.713 -40.208 -14.836 1.00 0.00 C ATOM 0 H THR A 2 9.941 -39.024 -14.711 1.00 0.00 H new ATOM 0 HA THR A 2 7.581 -37.279 -14.660 1.00 0.00 H new ATOM 0 HB THR A 2 6.551 -39.010 -13.476 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.801 -40.562 -12.272 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.227 -41.140 -14.547 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.226 -39.805 -15.724 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.764 -40.399 -15.053 1.00 0.00 H new ATOM 32 N TYR A 3 9.958 -36.677 -12.828 1.00 0.00 N ATOM 33 CA TYR A 3 10.475 -35.930 -11.686 1.00 0.00 C ATOM 34 C TYR A 3 9.660 -34.659 -11.472 1.00 0.00 C ATOM 35 O TYR A 3 9.179 -34.398 -10.369 1.00 0.00 O ATOM 36 CB TYR A 3 11.943 -35.569 -11.917 1.00 0.00 C ATOM 37 CG TYR A 3 12.804 -36.779 -11.645 1.00 0.00 C ATOM 38 CD1 TYR A 3 12.907 -37.287 -10.344 1.00 0.00 C ATOM 39 CD2 TYR A 3 13.500 -37.393 -12.693 1.00 0.00 C ATOM 40 CE1 TYR A 3 13.705 -38.410 -10.092 1.00 0.00 C ATOM 41 CE2 TYR A 3 14.298 -38.515 -12.440 1.00 0.00 C ATOM 42 CZ TYR A 3 14.401 -39.024 -11.140 1.00 0.00 C ATOM 43 OH TYR A 3 15.187 -40.131 -10.892 1.00 0.00 O ATOM 0 H TYR A 3 10.628 -36.816 -13.585 1.00 0.00 H new ATOM 0 HA TYR A 3 10.395 -36.555 -10.797 1.00 0.00 H new ATOM 0 HB2 TYR A 3 12.088 -35.228 -12.942 1.00 0.00 H new ATOM 0 HB3 TYR A 3 12.234 -34.747 -11.263 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.371 -36.813 -9.535 1.00 0.00 H new ATOM 0 HD2 TYR A 3 13.421 -37.001 -13.696 1.00 0.00 H new ATOM 0 HE1 TYR A 3 13.783 -38.802 -9.089 1.00 0.00 H new ATOM 0 HE2 TYR A 3 14.835 -38.988 -13.249 1.00 0.00 H new ATOM 0 HH TYR A 3 15.599 -40.434 -11.728 1.00 0.00 H new ATOM 53 N PHE A 4 9.503 -33.876 -12.534 1.00 0.00 N ATOM 54 CA PHE A 4 8.736 -32.640 -12.447 1.00 0.00 C ATOM 55 C PHE A 4 7.300 -32.945 -12.036 1.00 0.00 C ATOM 56 O PHE A 4 6.645 -32.137 -11.378 1.00 0.00 O ATOM 57 CB PHE A 4 8.738 -31.923 -13.799 1.00 0.00 C ATOM 58 CG PHE A 4 9.860 -32.460 -14.654 1.00 0.00 C ATOM 59 CD1 PHE A 4 11.181 -32.402 -14.196 1.00 0.00 C ATOM 60 CD2 PHE A 4 9.578 -33.015 -15.909 1.00 0.00 C ATOM 61 CE1 PHE A 4 12.221 -32.899 -14.991 1.00 0.00 C ATOM 62 CE2 PHE A 4 10.617 -33.511 -16.704 1.00 0.00 C ATOM 63 CZ PHE A 4 11.938 -33.453 -16.245 1.00 0.00 C ATOM 0 H PHE A 4 9.892 -34.073 -13.456 1.00 0.00 H new ATOM 0 HA PHE A 4 9.197 -31.996 -11.698 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.782 -32.070 -14.301 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.860 -30.850 -13.653 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.399 -31.974 -13.229 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.559 -33.060 -16.263 1.00 0.00 H new ATOM 0 HE1 PHE A 4 13.240 -32.855 -14.637 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.400 -33.939 -17.672 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.740 -33.836 -16.859 1.00 0.00 H new ATOM 73 N TYR A 5 6.822 -34.121 -12.427 1.00 0.00 N ATOM 74 CA TYR A 5 5.464 -34.536 -12.097 1.00 0.00 C ATOM 75 C TYR A 5 5.374 -34.939 -10.629 1.00 0.00 C ATOM 76 O TYR A 5 4.435 -34.563 -9.928 1.00 0.00 O ATOM 77 CB TYR A 5 5.052 -35.715 -12.978 1.00 0.00 C ATOM 78 CG TYR A 5 4.426 -35.200 -14.253 1.00 0.00 C ATOM 79 CD1 TYR A 5 5.241 -34.771 -15.309 1.00 0.00 C ATOM 80 CD2 TYR A 5 3.033 -35.151 -14.378 1.00 0.00 C ATOM 81 CE1 TYR A 5 4.661 -34.295 -16.490 1.00 0.00 C ATOM 82 CE2 TYR A 5 2.453 -34.674 -15.560 1.00 0.00 C ATOM 83 CZ TYR A 5 3.267 -34.246 -16.616 1.00 0.00 C ATOM 84 OH TYR A 5 2.696 -33.777 -17.781 1.00 0.00 O ATOM 0 H TYR A 5 7.353 -34.802 -12.971 1.00 0.00 H new ATOM 0 HA TYR A 5 4.791 -33.698 -12.275 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.922 -36.330 -13.210 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.345 -36.351 -12.445 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.316 -34.808 -15.211 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.406 -35.481 -13.563 1.00 0.00 H new ATOM 0 HE1 TYR A 5 5.289 -33.965 -17.305 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.378 -34.636 -15.657 1.00 0.00 H new ATOM 0 HH TYR A 5 1.720 -33.811 -17.703 1.00 0.00 H new ATOM 94 N VAL A 6 6.359 -35.704 -10.172 1.00 0.00 N ATOM 95 CA VAL A 6 6.384 -36.152 -8.786 1.00 0.00 C ATOM 96 C VAL A 6 6.683 -34.983 -7.852 1.00 0.00 C ATOM 97 O VAL A 6 6.425 -35.054 -6.650 1.00 0.00 O ATOM 98 CB VAL A 6 7.450 -37.234 -8.608 1.00 0.00 C ATOM 99 CG1 VAL A 6 7.674 -37.493 -7.118 1.00 0.00 C ATOM 100 CG2 VAL A 6 6.981 -38.526 -9.283 1.00 0.00 C ATOM 0 H VAL A 6 7.145 -36.025 -10.737 1.00 0.00 H new ATOM 0 HA VAL A 6 5.405 -36.561 -8.537 1.00 0.00 H new ATOM 0 HB VAL A 6 8.383 -36.901 -9.063 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.434 -38.264 -6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.007 -36.574 -6.635 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.741 -37.825 -6.662 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.740 -39.298 -9.157 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.048 -38.856 -8.827 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.821 -38.344 -10.346 1.00 0.00 H new ATOM 110 N THR A 7 7.228 -33.909 -8.414 1.00 0.00 N ATOM 111 CA THR A 7 7.559 -32.729 -7.624 1.00 0.00 C ATOM 112 C THR A 7 6.455 -31.683 -7.732 1.00 0.00 C ATOM 113 O THR A 7 6.227 -30.907 -6.804 1.00 0.00 O ATOM 114 CB THR A 7 8.880 -32.127 -8.111 1.00 0.00 C ATOM 115 OG1 THR A 7 9.947 -33.008 -7.791 1.00 0.00 O ATOM 116 CG2 THR A 7 9.108 -30.776 -7.432 1.00 0.00 C ATOM 0 H THR A 7 7.449 -33.831 -9.407 1.00 0.00 H new ATOM 0 HA THR A 7 7.658 -33.031 -6.581 1.00 0.00 H new ATOM 0 HB THR A 7 8.839 -31.985 -9.191 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.024 -33.694 -8.486 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.049 -30.348 -7.779 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.289 -30.101 -7.680 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.149 -30.914 -6.352 1.00 0.00 H new ATOM 124 N ASP A 8 5.772 -31.667 -8.872 1.00 0.00 N ATOM 125 CA ASP A 8 4.694 -30.711 -9.094 1.00 0.00 C ATOM 126 C ASP A 8 3.687 -30.762 -7.955 1.00 0.00 C ATOM 127 O ASP A 8 2.934 -29.813 -7.729 1.00 0.00 O ATOM 128 CB ASP A 8 3.991 -31.010 -10.419 1.00 0.00 C ATOM 129 CG ASP A 8 2.709 -30.190 -10.524 1.00 0.00 C ATOM 130 OD1 ASP A 8 2.796 -29.038 -10.917 1.00 0.00 O ATOM 131 OD2 ASP A 8 1.659 -30.727 -10.210 1.00 0.00 O ATOM 0 H ASP A 8 5.945 -32.301 -9.652 1.00 0.00 H new ATOM 0 HA ASP A 8 5.126 -29.711 -9.133 1.00 0.00 H new ATOM 0 HB2 ASP A 8 4.653 -30.775 -11.253 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.759 -32.073 -10.486 1.00 0.00 H new ATOM 136 N TYR A 9 3.678 -31.878 -7.246 1.00 0.00 N ATOM 137 CA TYR A 9 2.757 -32.058 -6.128 1.00 0.00 C ATOM 138 C TYR A 9 3.295 -31.381 -4.870 1.00 0.00 C ATOM 139 O TYR A 9 2.546 -31.116 -3.931 1.00 0.00 O ATOM 140 CB TYR A 9 2.551 -33.550 -5.858 1.00 0.00 C ATOM 141 CG TYR A 9 1.562 -33.723 -4.731 1.00 0.00 C ATOM 142 CD1 TYR A 9 2.009 -33.748 -3.405 1.00 0.00 C ATOM 143 CD2 TYR A 9 0.197 -33.859 -5.012 1.00 0.00 C ATOM 144 CE1 TYR A 9 1.093 -33.908 -2.359 1.00 0.00 C ATOM 145 CE2 TYR A 9 -0.720 -34.020 -3.966 1.00 0.00 C ATOM 146 CZ TYR A 9 -0.272 -34.043 -2.639 1.00 0.00 C ATOM 147 OH TYR A 9 -1.176 -34.201 -1.609 1.00 0.00 O ATOM 0 H TYR A 9 4.294 -32.672 -7.421 1.00 0.00 H new ATOM 0 HA TYR A 9 1.804 -31.600 -6.391 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.185 -34.047 -6.757 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.500 -34.019 -5.599 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.062 -33.644 -3.189 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -0.148 -33.840 -6.035 1.00 0.00 H new ATOM 0 HE1 TYR A 9 1.439 -33.927 -1.336 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.773 -34.126 -4.182 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.081 -34.279 -1.977 1.00 0.00 H new ATOM 157 N LEU A 10 4.596 -31.107 -4.857 1.00 0.00 N ATOM 158 CA LEU A 10 5.218 -30.463 -3.704 1.00 0.00 C ATOM 159 C LEU A 10 6.043 -29.255 -4.135 1.00 0.00 C ATOM 160 O LEU A 10 7.160 -29.055 -3.659 1.00 0.00 O ATOM 161 CB LEU A 10 6.115 -31.459 -2.969 1.00 0.00 C ATOM 162 CG LEU A 10 6.323 -30.990 -1.528 1.00 0.00 C ATOM 163 CD1 LEU A 10 5.080 -31.319 -0.699 1.00 0.00 C ATOM 164 CD2 LEU A 10 7.538 -31.701 -0.929 1.00 0.00 C ATOM 0 H LEU A 10 5.235 -31.318 -5.623 1.00 0.00 H new ATOM 0 HA LEU A 10 4.426 -30.124 -3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.661 -32.450 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.075 -31.544 -3.477 1.00 0.00 H new ATOM 0 HG LEU A 10 6.491 -29.913 -1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.229 -30.985 0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.214 -30.811 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.910 -32.396 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.686 -31.366 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.371 -32.778 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.424 -31.466 -1.518 1.00 0.00 H new ATOM 176 N ASP A 11 5.487 -28.450 -5.035 1.00 0.00 N ATOM 177 CA ASP A 11 6.180 -27.265 -5.516 1.00 0.00 C ATOM 178 C ASP A 11 5.243 -26.064 -5.507 1.00 0.00 C ATOM 179 O ASP A 11 4.148 -26.110 -6.069 1.00 0.00 O ATOM 180 CB ASP A 11 6.697 -27.504 -6.936 1.00 0.00 C ATOM 181 CG ASP A 11 8.116 -26.964 -7.072 1.00 0.00 C ATOM 182 OD1 ASP A 11 8.262 -25.757 -7.173 1.00 0.00 O ATOM 183 OD2 ASP A 11 9.036 -27.765 -7.072 1.00 0.00 O ATOM 0 H ASP A 11 4.564 -28.597 -5.443 1.00 0.00 H new ATOM 0 HA ASP A 11 7.022 -27.061 -4.855 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.681 -28.570 -7.163 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.042 -27.015 -7.657 1.00 0.00 H new ATOM 188 N VAL A 12 5.684 -24.990 -4.865 1.00 0.00 N ATOM 189 CA VAL A 12 4.883 -23.773 -4.781 1.00 0.00 C ATOM 190 C VAL A 12 5.595 -22.614 -5.475 1.00 0.00 C ATOM 191 O VAL A 12 6.377 -21.893 -4.856 1.00 0.00 O ATOM 192 CB VAL A 12 4.632 -23.413 -3.316 1.00 0.00 C ATOM 193 CG1 VAL A 12 4.208 -21.946 -3.216 1.00 0.00 C ATOM 194 CG2 VAL A 12 3.518 -24.302 -2.757 1.00 0.00 C ATOM 0 H VAL A 12 6.588 -24.935 -4.396 1.00 0.00 H new ATOM 0 HA VAL A 12 3.931 -23.953 -5.280 1.00 0.00 H new ATOM 0 HB VAL A 12 5.546 -23.568 -2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.029 -21.689 -2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.999 -21.311 -3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.294 -21.792 -3.789 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.338 -24.046 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.605 -24.146 -3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.817 -25.348 -2.828 1.00 0.00 H new ATOM 204 N PRO A 13 5.339 -22.430 -6.742 1.00 0.00 N ATOM 205 CA PRO A 13 5.967 -21.338 -7.542 1.00 0.00 C ATOM 206 C PRO A 13 5.794 -19.968 -6.886 1.00 0.00 C ATOM 207 O PRO A 13 4.880 -19.760 -6.088 1.00 0.00 O ATOM 208 CB PRO A 13 5.234 -21.393 -8.885 1.00 0.00 C ATOM 209 CG PRO A 13 4.674 -22.775 -8.981 1.00 0.00 C ATOM 210 CD PRO A 13 4.423 -23.247 -7.549 1.00 0.00 C ATOM 0 HA PRO A 13 7.044 -21.475 -7.636 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.442 -20.645 -8.930 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.914 -21.187 -9.712 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.749 -22.779 -9.558 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.370 -23.440 -9.491 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.385 -23.093 -7.254 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.632 -24.311 -7.437 1.00 0.00 H new ATOM 218 N SER A 14 6.680 -19.040 -7.234 1.00 0.00 N ATOM 219 CA SER A 14 6.624 -17.690 -6.681 1.00 0.00 C ATOM 220 C SER A 14 5.259 -17.061 -6.928 1.00 0.00 C ATOM 221 O SER A 14 4.938 -16.009 -6.372 1.00 0.00 O ATOM 222 CB SER A 14 7.712 -16.820 -7.311 1.00 0.00 C ATOM 223 OG SER A 14 7.350 -16.513 -8.651 1.00 0.00 O ATOM 0 H SER A 14 7.442 -19.196 -7.893 1.00 0.00 H new ATOM 0 HA SER A 14 6.789 -17.755 -5.606 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.838 -15.902 -6.737 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.669 -17.342 -7.291 1.00 0.00 H new ATOM 0 HG SER A 14 8.045 -15.954 -9.058 1.00 0.00 H new ATOM 229 N ASN A 15 4.459 -17.705 -7.769 1.00 0.00 N ATOM 230 CA ASN A 15 3.135 -17.189 -8.079 1.00 0.00 C ATOM 231 C ASN A 15 2.343 -16.972 -6.795 1.00 0.00 C ATOM 232 O ASN A 15 1.487 -16.091 -6.726 1.00 0.00 O ATOM 233 CB ASN A 15 2.389 -18.171 -8.985 1.00 0.00 C ATOM 234 CG ASN A 15 2.635 -17.820 -10.449 1.00 0.00 C ATOM 235 OD1 ASN A 15 1.962 -16.952 -11.003 1.00 0.00 O ATOM 236 ND2 ASN A 15 3.567 -18.450 -11.112 1.00 0.00 N ATOM 0 H ASN A 15 4.701 -18.575 -8.243 1.00 0.00 H new ATOM 0 HA ASN A 15 3.243 -16.236 -8.596 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.724 -19.189 -8.785 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.321 -18.138 -8.769 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.738 -18.223 -12.091 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.124 -19.169 -10.650 1.00 0.00 H new ATOM 243 N ILE A 16 2.646 -17.769 -5.775 1.00 0.00 N ATOM 244 CA ILE A 16 1.961 -17.637 -4.495 1.00 0.00 C ATOM 245 C ILE A 16 2.511 -16.449 -3.732 1.00 0.00 C ATOM 246 O ILE A 16 1.871 -15.912 -2.831 1.00 0.00 O ATOM 247 CB ILE A 16 2.122 -18.913 -3.668 1.00 0.00 C ATOM 248 CG1 ILE A 16 1.095 -19.951 -4.129 1.00 0.00 C ATOM 249 CG2 ILE A 16 1.896 -18.595 -2.188 1.00 0.00 C ATOM 250 CD1 ILE A 16 1.503 -20.503 -5.497 1.00 0.00 C ATOM 0 H ILE A 16 3.352 -18.504 -5.809 1.00 0.00 H new ATOM 0 HA ILE A 16 0.899 -17.477 -4.683 1.00 0.00 H new ATOM 0 HB ILE A 16 3.128 -19.310 -3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.031 -20.761 -3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.106 -19.497 -4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.011 -19.505 -1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.626 -17.855 -1.859 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.890 -18.198 -2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.771 -21.242 -5.824 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.545 -19.689 -6.220 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.484 -20.972 -5.422 1.00 0.00 H new ATOM 262 N ALA A 17 3.702 -16.047 -4.122 1.00 0.00 N ATOM 263 CA ALA A 17 4.370 -14.908 -3.505 1.00 0.00 C ATOM 264 C ALA A 17 3.762 -13.605 -4.008 1.00 0.00 C ATOM 265 O ALA A 17 3.783 -12.585 -3.321 1.00 0.00 O ATOM 266 CB ALA A 17 5.860 -14.934 -3.843 1.00 0.00 C ATOM 0 H ALA A 17 4.235 -16.492 -4.869 1.00 0.00 H new ATOM 0 HA ALA A 17 4.240 -14.971 -2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.353 -14.080 -3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.302 -15.857 -3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.989 -14.884 -4.924 1.00 0.00 H new ATOM 272 N LYS A 18 3.216 -13.660 -5.217 1.00 0.00 N ATOM 273 CA LYS A 18 2.591 -12.493 -5.827 1.00 0.00 C ATOM 274 C LYS A 18 1.129 -12.453 -5.434 1.00 0.00 C ATOM 275 O LYS A 18 0.521 -11.388 -5.337 1.00 0.00 O ATOM 276 CB LYS A 18 2.722 -12.559 -7.349 1.00 0.00 C ATOM 277 CG LYS A 18 3.316 -11.250 -7.872 1.00 0.00 C ATOM 278 CD LYS A 18 3.421 -11.309 -9.397 1.00 0.00 C ATOM 279 CE LYS A 18 4.410 -10.249 -9.883 1.00 0.00 C ATOM 280 NZ LYS A 18 4.682 -9.280 -8.784 1.00 0.00 N ATOM 0 H LYS A 18 3.193 -14.501 -5.794 1.00 0.00 H new ATOM 0 HA LYS A 18 3.089 -11.589 -5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.358 -13.397 -7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.745 -12.733 -7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.690 -10.409 -7.572 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.301 -11.086 -7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.750 -12.300 -9.711 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.442 -11.141 -9.846 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.338 -10.722 -10.203 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.003 -9.727 -10.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.186 -8.454 -9.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.783 -8.972 -8.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.267 -9.736 -8.056 1.00 0.00 H new ATOM 294 N ILE A 19 0.587 -13.631 -5.183 1.00 0.00 N ATOM 295 CA ILE A 19 -0.796 -13.747 -4.763 1.00 0.00 C ATOM 296 C ILE A 19 -0.858 -13.529 -3.262 1.00 0.00 C ATOM 297 O ILE A 19 -1.915 -13.244 -2.700 1.00 0.00 O ATOM 298 CB ILE A 19 -1.341 -15.133 -5.110 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.614 -15.213 -6.615 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.641 -15.378 -4.342 1.00 0.00 C ATOM 301 CD1 ILE A 19 -3.012 -14.669 -6.914 1.00 0.00 C ATOM 0 H ILE A 19 1.083 -14.519 -5.263 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.403 -13.002 -5.278 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.608 -15.891 -4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.865 -14.639 -7.161 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.535 -16.246 -6.955 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.029 -16.366 -4.590 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.447 -15.322 -3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.375 -14.620 -4.618 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.204 -14.727 -7.985 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.755 -15.261 -6.380 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.075 -13.630 -6.590 1.00 0.00 H new ATOM 313 N ILE A 20 0.301 -13.668 -2.623 1.00 0.00 N ATOM 314 CA ILE A 20 0.391 -13.484 -1.178 1.00 0.00 C ATOM 315 C ILE A 20 0.790 -12.050 -0.832 1.00 0.00 C ATOM 316 O ILE A 20 0.211 -11.437 0.066 1.00 0.00 O ATOM 317 CB ILE A 20 1.416 -14.454 -0.588 1.00 0.00 C ATOM 318 CG1 ILE A 20 0.804 -15.855 -0.505 1.00 0.00 C ATOM 319 CG2 ILE A 20 1.810 -13.987 0.815 1.00 0.00 C ATOM 320 CD1 ILE A 20 -0.050 -15.967 0.759 1.00 0.00 C ATOM 0 H ILE A 20 1.183 -13.905 -3.078 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.591 -13.685 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 20 2.300 -14.480 -1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.194 -16.049 -1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.593 -16.607 -0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.540 -14.678 1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.245 -12.989 0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.926 -13.961 1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.485 -16.965 0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.573 -15.791 1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.848 -15.225 0.726 1.00 0.00 H new ATOM 332 N ILE A 21 1.785 -11.523 -1.540 1.00 0.00 N ATOM 333 CA ILE A 21 2.252 -10.161 -1.286 1.00 0.00 C ATOM 334 C ILE A 21 1.512 -9.157 -2.167 1.00 0.00 C ATOM 335 O ILE A 21 1.528 -7.955 -1.901 1.00 0.00 O ATOM 336 CB ILE A 21 3.756 -10.066 -1.552 1.00 0.00 C ATOM 337 CG1 ILE A 21 4.518 -10.747 -0.414 1.00 0.00 C ATOM 338 CG2 ILE A 21 4.168 -8.595 -1.630 1.00 0.00 C ATOM 339 CD1 ILE A 21 5.782 -11.409 -0.966 1.00 0.00 C ATOM 0 H ILE A 21 2.280 -12.011 -2.287 1.00 0.00 H new ATOM 0 HA ILE A 21 2.050 -9.922 -0.242 1.00 0.00 H new ATOM 0 HB ILE A 21 3.990 -10.560 -2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.782 -10.015 0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.885 -11.493 0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.239 -8.527 -1.819 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.625 -8.107 -2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.934 -8.101 -0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.323 -11.894 -0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.506 -12.153 -1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.418 -10.652 -1.425 1.00 0.00 H new ATOM 351 N GLY A 22 0.869 -9.656 -3.217 1.00 0.00 N ATOM 352 CA GLY A 22 0.130 -8.793 -4.133 1.00 0.00 C ATOM 353 C GLY A 22 -0.771 -7.818 -3.379 1.00 0.00 C ATOM 354 O GLY A 22 -0.779 -6.618 -3.660 1.00 0.00 O ATOM 0 H GLY A 22 0.844 -10.648 -3.455 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.831 -8.236 -4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.474 -9.405 -4.803 1.00 0.00 H new ATOM 358 N PRO A 23 -1.527 -8.312 -2.435 1.00 0.00 N ATOM 359 CA PRO A 23 -2.459 -7.470 -1.627 1.00 0.00 C ATOM 360 C PRO A 23 -1.751 -6.274 -0.997 1.00 0.00 C ATOM 361 O PRO A 23 -2.353 -5.219 -0.799 1.00 0.00 O ATOM 362 CB PRO A 23 -2.979 -8.425 -0.548 1.00 0.00 C ATOM 363 CG PRO A 23 -2.787 -9.798 -1.102 1.00 0.00 C ATOM 364 CD PRO A 23 -1.580 -9.727 -2.039 1.00 0.00 C ATOM 0 HA PRO A 23 -3.253 -7.042 -2.238 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.430 -8.298 0.385 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.029 -8.234 -0.328 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.614 -10.518 -0.302 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.676 -10.126 -1.640 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.664 -10.036 -1.536 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.705 -10.380 -2.903 1.00 0.00 H new ATOM 372 N LEU A 24 -0.469 -6.441 -0.692 1.00 0.00 N ATOM 373 CA LEU A 24 0.306 -5.361 -0.093 1.00 0.00 C ATOM 374 C LEU A 24 0.763 -4.389 -1.166 1.00 0.00 C ATOM 375 O LEU A 24 0.724 -3.174 -0.978 1.00 0.00 O ATOM 376 CB LEU A 24 1.519 -5.929 0.649 1.00 0.00 C ATOM 377 CG LEU A 24 1.514 -5.436 2.097 1.00 0.00 C ATOM 378 CD1 LEU A 24 0.377 -6.113 2.864 1.00 0.00 C ATOM 379 CD2 LEU A 24 2.851 -5.786 2.755 1.00 0.00 C ATOM 0 H LEU A 24 0.051 -7.304 -0.848 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.326 -4.831 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.495 -7.018 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.439 -5.620 0.152 1.00 0.00 H new ATOM 0 HG LEU A 24 1.369 -4.356 2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.374 -5.761 3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.575 -5.868 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.521 -7.193 2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.851 -5.436 3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.993 -6.867 2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.662 -5.305 2.209 1.00 0.00 H new ATOM 391 N ILE A 25 1.173 -4.929 -2.301 1.00 0.00 N ATOM 392 CA ILE A 25 1.609 -4.096 -3.408 1.00 0.00 C ATOM 393 C ILE A 25 0.549 -3.040 -3.689 1.00 0.00 C ATOM 394 O ILE A 25 0.859 -1.932 -4.127 1.00 0.00 O ATOM 395 CB ILE A 25 1.838 -4.950 -4.657 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.243 -5.555 -4.606 1.00 0.00 C ATOM 397 CG2 ILE A 25 1.708 -4.074 -5.905 1.00 0.00 C ATOM 398 CD1 ILE A 25 3.459 -6.451 -5.826 1.00 0.00 C ATOM 0 H ILE A 25 1.213 -5.932 -2.479 1.00 0.00 H new ATOM 0 HA ILE A 25 2.548 -3.610 -3.143 1.00 0.00 H new ATOM 0 HB ILE A 25 1.096 -5.748 -4.694 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.991 -4.762 -4.587 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.368 -6.133 -3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.871 -4.682 -6.795 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.710 -3.638 -5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.451 -3.277 -5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.460 -6.881 -5.789 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.719 -7.252 -5.825 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.352 -5.860 -6.735 1.00 0.00 H new ATOM 410 N PHE A 26 -0.707 -3.403 -3.444 1.00 0.00 N ATOM 411 CA PHE A 26 -1.822 -2.489 -3.683 1.00 0.00 C ATOM 412 C PHE A 26 -1.671 -1.206 -2.867 1.00 0.00 C ATOM 413 O PHE A 26 -1.774 -0.103 -3.405 1.00 0.00 O ATOM 414 CB PHE A 26 -3.140 -3.170 -3.310 1.00 0.00 C ATOM 415 CG PHE A 26 -3.770 -3.770 -4.544 1.00 0.00 C ATOM 416 CD1 PHE A 26 -3.180 -4.877 -5.164 1.00 0.00 C ATOM 417 CD2 PHE A 26 -4.947 -3.221 -5.066 1.00 0.00 C ATOM 418 CE1 PHE A 26 -3.766 -5.435 -6.307 1.00 0.00 C ATOM 419 CE2 PHE A 26 -5.534 -3.779 -6.209 1.00 0.00 C ATOM 420 CZ PHE A 26 -4.942 -4.886 -6.829 1.00 0.00 C ATOM 0 H PHE A 26 -0.978 -4.317 -3.082 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.822 -2.229 -4.742 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.961 -3.947 -2.567 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.819 -2.447 -2.858 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.272 -5.301 -4.761 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.403 -2.367 -4.587 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.310 -6.289 -6.785 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.442 -3.356 -6.612 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.394 -5.316 -7.711 1.00 0.00 H new ATOM 430 N VAL A 27 -1.437 -1.354 -1.566 1.00 0.00 N ATOM 431 CA VAL A 27 -1.286 -0.196 -0.689 1.00 0.00 C ATOM 432 C VAL A 27 0.036 0.518 -0.950 1.00 0.00 C ATOM 433 O VAL A 27 0.131 1.737 -0.805 1.00 0.00 O ATOM 434 CB VAL A 27 -1.355 -0.632 0.776 1.00 0.00 C ATOM 435 CG1 VAL A 27 -2.805 -0.944 1.148 1.00 0.00 C ATOM 436 CG2 VAL A 27 -0.497 -1.881 0.979 1.00 0.00 C ATOM 0 H VAL A 27 -1.348 -2.256 -1.098 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.101 0.496 -0.900 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.982 0.172 1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.854 -1.255 2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.417 -0.053 1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.179 -1.747 0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.547 -2.191 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.869 -2.685 0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.537 -1.659 0.715 1.00 0.00 H new ATOM 446 N PHE A 28 1.054 -0.245 -1.329 1.00 0.00 N ATOM 447 CA PHE A 28 2.366 0.331 -1.602 1.00 0.00 C ATOM 448 C PHE A 28 2.332 1.173 -2.873 1.00 0.00 C ATOM 449 O PHE A 28 2.968 2.224 -2.951 1.00 0.00 O ATOM 450 CB PHE A 28 3.405 -0.780 -1.753 1.00 0.00 C ATOM 451 CG PHE A 28 4.740 -0.172 -2.113 1.00 0.00 C ATOM 452 CD1 PHE A 28 5.387 0.679 -1.209 1.00 0.00 C ATOM 453 CD2 PHE A 28 5.328 -0.456 -3.351 1.00 0.00 C ATOM 454 CE1 PHE A 28 6.623 1.245 -1.544 1.00 0.00 C ATOM 455 CE2 PHE A 28 6.563 0.110 -3.686 1.00 0.00 C ATOM 456 CZ PHE A 28 7.211 0.961 -2.782 1.00 0.00 C ATOM 0 H PHE A 28 0.998 -1.256 -1.454 1.00 0.00 H new ATOM 0 HA PHE A 28 2.638 0.972 -0.764 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.488 -1.344 -0.824 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.093 -1.483 -2.525 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.933 0.899 -0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.828 -1.112 -4.048 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.123 1.901 -0.847 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.016 -0.109 -4.641 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.164 1.398 -3.040 1.00 0.00 H new ATOM 466 N LEU A 29 1.587 0.702 -3.867 1.00 0.00 N ATOM 467 CA LEU A 29 1.478 1.419 -5.133 1.00 0.00 C ATOM 468 C LEU A 29 0.662 2.694 -4.952 1.00 0.00 C ATOM 469 O LEU A 29 0.917 3.704 -5.607 1.00 0.00 O ATOM 470 CB LEU A 29 0.811 0.527 -6.182 1.00 0.00 C ATOM 471 CG LEU A 29 0.970 1.156 -7.566 1.00 0.00 C ATOM 472 CD1 LEU A 29 2.193 0.557 -8.263 1.00 0.00 C ATOM 473 CD2 LEU A 29 -0.281 0.871 -8.399 1.00 0.00 C ATOM 0 H LEU A 29 1.053 -0.166 -3.822 1.00 0.00 H new ATOM 0 HA LEU A 29 2.480 1.685 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.261 -0.466 -6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.246 0.401 -5.948 1.00 0.00 H new ATOM 0 HG LEU A 29 1.103 2.233 -7.463 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.306 1.006 -9.250 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.085 0.757 -7.669 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.061 -0.520 -8.367 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.170 1.319 -9.387 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.412 -0.206 -8.501 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.153 1.297 -7.903 1.00 0.00 H new ATOM 485 N PHE A 30 -0.319 2.639 -4.057 1.00 0.00 N ATOM 486 CA PHE A 30 -1.166 3.798 -3.798 1.00 0.00 C ATOM 487 C PHE A 30 -0.420 4.828 -2.954 1.00 0.00 C ATOM 488 O PHE A 30 -0.563 6.033 -3.161 1.00 0.00 O ATOM 489 CB PHE A 30 -2.443 3.362 -3.074 1.00 0.00 C ATOM 490 CG PHE A 30 -3.587 3.314 -4.058 1.00 0.00 C ATOM 491 CD1 PHE A 30 -3.672 2.267 -4.983 1.00 0.00 C ATOM 492 CD2 PHE A 30 -4.562 4.320 -4.049 1.00 0.00 C ATOM 493 CE1 PHE A 30 -4.731 2.223 -5.897 1.00 0.00 C ATOM 494 CE2 PHE A 30 -5.621 4.275 -4.962 1.00 0.00 C ATOM 495 CZ PHE A 30 -5.706 3.228 -5.886 1.00 0.00 C ATOM 0 H PHE A 30 -0.546 1.813 -3.504 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.431 4.253 -4.752 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.299 2.382 -2.619 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.672 4.058 -2.267 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.920 1.492 -4.991 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.496 5.130 -3.338 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.796 1.415 -6.610 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.374 5.049 -4.954 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.524 3.195 -6.591 1.00 0.00 H new ATOM 505 N SER A 31 0.374 4.345 -2.005 1.00 0.00 N ATOM 506 CA SER A 31 1.136 5.236 -1.136 1.00 0.00 C ATOM 507 C SER A 31 2.220 5.961 -1.925 1.00 0.00 C ATOM 508 O SER A 31 2.510 7.131 -1.675 1.00 0.00 O ATOM 509 CB SER A 31 1.773 4.441 0.004 1.00 0.00 C ATOM 510 OG SER A 31 1.359 4.992 1.248 1.00 0.00 O ATOM 0 H SER A 31 0.507 3.351 -1.818 1.00 0.00 H new ATOM 0 HA SER A 31 0.452 5.976 -0.721 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.479 3.393 -0.059 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.859 4.473 -0.078 1.00 0.00 H new ATOM 0 HG SER A 31 1.764 4.484 1.982 1.00 0.00 H new ATOM 516 N VAL A 32 2.816 5.254 -2.874 1.00 0.00 N ATOM 517 CA VAL A 32 3.875 5.829 -3.696 1.00 0.00 C ATOM 518 C VAL A 32 3.331 6.948 -4.580 1.00 0.00 C ATOM 519 O VAL A 32 3.905 8.036 -4.641 1.00 0.00 O ATOM 520 CB VAL A 32 4.500 4.743 -4.573 1.00 0.00 C ATOM 521 CG1 VAL A 32 5.460 5.386 -5.576 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.270 3.758 -3.690 1.00 0.00 C ATOM 0 H VAL A 32 2.587 4.285 -3.095 1.00 0.00 H new ATOM 0 HA VAL A 32 4.633 6.247 -3.033 1.00 0.00 H new ATOM 0 HB VAL A 32 3.714 4.213 -5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.905 4.612 -6.201 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.913 6.089 -6.204 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.247 5.916 -5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.716 2.983 -4.313 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.056 4.289 -3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.587 3.300 -2.975 1.00 0.00 H new ATOM 532 N VAL A 33 2.228 6.673 -5.267 1.00 0.00 N ATOM 533 CA VAL A 33 1.622 7.666 -6.149 1.00 0.00 C ATOM 534 C VAL A 33 1.032 8.818 -5.342 1.00 0.00 C ATOM 535 O VAL A 33 1.387 9.979 -5.550 1.00 0.00 O ATOM 536 CB VAL A 33 0.522 7.015 -6.988 1.00 0.00 C ATOM 537 CG1 VAL A 33 1.146 5.997 -7.944 1.00 0.00 C ATOM 538 CG2 VAL A 33 -0.470 6.306 -6.065 1.00 0.00 C ATOM 0 H VAL A 33 1.738 5.779 -5.232 1.00 0.00 H new ATOM 0 HA VAL A 33 2.398 8.060 -6.805 1.00 0.00 H new ATOM 0 HB VAL A 33 0.001 7.781 -7.562 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.363 5.532 -8.543 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.854 6.502 -8.601 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.667 5.231 -7.370 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.255 5.842 -6.662 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.051 5.540 -5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.914 7.031 -5.383 1.00 0.00 H new ATOM 548 N ILE A 34 0.130 8.492 -4.424 1.00 0.00 N ATOM 549 CA ILE A 34 -0.504 9.508 -3.593 1.00 0.00 C ATOM 550 C ILE A 34 0.536 10.250 -2.765 1.00 0.00 C ATOM 551 O ILE A 34 0.290 11.352 -2.274 1.00 0.00 O ATOM 552 CB ILE A 34 -1.541 8.860 -2.672 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.672 9.856 -2.408 1.00 0.00 C ATOM 554 CG2 ILE A 34 -0.884 8.472 -1.344 1.00 0.00 C ATOM 555 CD1 ILE A 34 -3.707 9.218 -1.480 1.00 0.00 C ATOM 0 H ILE A 34 -0.178 7.538 -4.237 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.003 10.225 -4.245 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.941 7.965 -3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.273 10.764 -1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.141 10.147 -3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.626 8.011 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.076 7.765 -1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.482 9.364 -0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.513 9.927 -1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.114 8.323 -1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.233 8.949 -0.536 1.00 0.00 H new ATOM 567 N GLY A 35 1.695 9.628 -2.608 1.00 0.00 N ATOM 568 CA GLY A 35 2.773 10.219 -1.826 1.00 0.00 C ATOM 569 C GLY A 35 3.463 11.348 -2.573 1.00 0.00 C ATOM 570 O GLY A 35 3.531 12.478 -2.087 1.00 0.00 O ATOM 0 H GLY A 35 1.914 8.717 -3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.373 10.597 -0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.504 9.450 -1.576 1.00 0.00 H new ATOM 574 N SER A 36 3.968 11.039 -3.758 1.00 0.00 N ATOM 575 CA SER A 36 4.641 12.042 -4.563 1.00 0.00 C ATOM 576 C SER A 36 3.629 13.070 -5.017 1.00 0.00 C ATOM 577 O SER A 36 3.961 14.226 -5.276 1.00 0.00 O ATOM 578 CB SER A 36 5.304 11.391 -5.778 1.00 0.00 C ATOM 579 OG SER A 36 5.307 12.313 -6.860 1.00 0.00 O ATOM 0 H SER A 36 3.925 10.111 -4.179 1.00 0.00 H new ATOM 0 HA SER A 36 5.414 12.525 -3.966 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.324 11.094 -5.535 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.767 10.485 -6.058 1.00 0.00 H new ATOM 0 HG SER A 36 5.732 11.900 -7.640 1.00 0.00 H new ATOM 585 N ILE A 37 2.382 12.631 -5.093 1.00 0.00 N ATOM 586 CA ILE A 37 1.299 13.516 -5.502 1.00 0.00 C ATOM 587 C ILE A 37 0.952 14.470 -4.367 1.00 0.00 C ATOM 588 O ILE A 37 0.678 15.649 -4.587 1.00 0.00 O ATOM 589 CB ILE A 37 0.066 12.700 -5.886 1.00 0.00 C ATOM 590 CG1 ILE A 37 0.275 12.077 -7.268 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.161 13.613 -5.920 1.00 0.00 C ATOM 592 CD1 ILE A 37 -0.686 10.899 -7.447 1.00 0.00 C ATOM 0 H ILE A 37 2.095 11.676 -4.879 1.00 0.00 H new ATOM 0 HA ILE A 37 1.625 14.092 -6.368 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.089 11.910 -5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.102 12.822 -8.045 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.306 11.739 -7.374 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.041 13.030 -6.194 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.312 14.057 -4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.006 14.403 -6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.538 10.455 -8.431 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.492 10.151 -6.678 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.714 11.251 -7.359 1.00 0.00 H new ATOM 604 N TYR A 38 0.968 13.940 -3.148 1.00 0.00 N ATOM 605 CA TYR A 38 0.656 14.739 -1.969 1.00 0.00 C ATOM 606 C TYR A 38 1.574 15.953 -1.876 1.00 0.00 C ATOM 607 O TYR A 38 1.133 17.049 -1.528 1.00 0.00 O ATOM 608 CB TYR A 38 0.804 13.881 -0.710 1.00 0.00 C ATOM 609 CG TYR A 38 0.625 14.743 0.517 1.00 0.00 C ATOM 610 CD1 TYR A 38 -0.575 15.439 0.714 1.00 0.00 C ATOM 611 CD2 TYR A 38 1.654 14.841 1.459 1.00 0.00 C ATOM 612 CE1 TYR A 38 -0.741 16.234 1.854 1.00 0.00 C ATOM 613 CE2 TYR A 38 1.487 15.637 2.599 1.00 0.00 C ATOM 614 CZ TYR A 38 0.289 16.334 2.796 1.00 0.00 C ATOM 615 OH TYR A 38 0.125 17.118 3.920 1.00 0.00 O ATOM 0 H TYR A 38 1.193 12.965 -2.952 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.372 15.091 -2.053 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.064 13.080 -0.715 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.786 13.408 -0.694 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.370 15.362 -0.012 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.578 14.303 1.307 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.665 16.771 2.007 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.282 15.713 3.326 1.00 0.00 H new ATOM 0 HH TYR A 38 0.935 17.075 4.470 1.00 0.00 H new ATOM 625 N LEU A 39 2.851 15.757 -2.189 1.00 0.00 N ATOM 626 CA LEU A 39 3.813 16.851 -2.136 1.00 0.00 C ATOM 627 C LEU A 39 3.337 18.018 -2.994 1.00 0.00 C ATOM 628 O LEU A 39 3.547 19.181 -2.651 1.00 0.00 O ATOM 629 CB LEU A 39 5.182 16.372 -2.628 1.00 0.00 C ATOM 630 CG LEU A 39 6.178 16.380 -1.465 1.00 0.00 C ATOM 631 CD1 LEU A 39 5.853 15.232 -0.508 1.00 0.00 C ATOM 632 CD2 LEU A 39 7.597 16.201 -2.010 1.00 0.00 C ATOM 0 H LEU A 39 3.240 14.860 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 39 3.901 17.185 -1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.099 15.367 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.538 17.019 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 39 6.108 17.329 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.562 15.237 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.842 15.356 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.924 14.283 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.308 16.206 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.666 15.252 -2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.830 17.017 -2.694 1.00 0.00 H new ATOM 644 N PHE A 40 2.689 17.697 -4.111 1.00 0.00 N ATOM 645 CA PHE A 40 2.182 18.728 -5.009 1.00 0.00 C ATOM 646 C PHE A 40 1.022 19.472 -4.358 1.00 0.00 C ATOM 647 O PHE A 40 0.773 20.640 -4.659 1.00 0.00 O ATOM 648 CB PHE A 40 1.716 18.096 -6.323 1.00 0.00 C ATOM 649 CG PHE A 40 1.956 19.062 -7.462 1.00 0.00 C ATOM 650 CD1 PHE A 40 3.242 19.208 -7.995 1.00 0.00 C ATOM 651 CD2 PHE A 40 0.892 19.808 -7.982 1.00 0.00 C ATOM 652 CE1 PHE A 40 3.465 20.102 -9.050 1.00 0.00 C ATOM 653 CE2 PHE A 40 1.115 20.702 -9.037 1.00 0.00 C ATOM 654 CZ PHE A 40 2.401 20.849 -9.571 1.00 0.00 C ATOM 0 H PHE A 40 2.504 16.740 -4.413 1.00 0.00 H new ATOM 0 HA PHE A 40 2.985 19.435 -5.216 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.255 17.165 -6.502 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.657 17.845 -6.262 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.062 18.632 -7.593 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.100 19.694 -7.570 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.457 20.215 -9.462 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.295 21.278 -9.439 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.572 21.538 -10.385 1.00 0.00 H new ATOM 664 N LEU A 41 0.315 18.789 -3.461 1.00 0.00 N ATOM 665 CA LEU A 41 -0.815 19.399 -2.771 1.00 0.00 C ATOM 666 C LEU A 41 -0.332 20.228 -1.591 1.00 0.00 C ATOM 667 O LEU A 41 -1.086 21.011 -1.012 1.00 0.00 O ATOM 668 CB LEU A 41 -1.780 18.317 -2.283 1.00 0.00 C ATOM 669 CG LEU A 41 -2.923 18.163 -3.286 1.00 0.00 C ATOM 670 CD1 LEU A 41 -3.608 16.811 -3.075 1.00 0.00 C ATOM 671 CD2 LEU A 41 -3.939 19.288 -3.074 1.00 0.00 C ATOM 0 H LEU A 41 0.503 17.822 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.335 20.053 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.253 17.370 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.176 18.583 -1.303 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.528 18.215 -4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.423 16.701 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.884 16.009 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.005 16.759 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.755 19.180 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.335 19.234 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.451 20.251 -3.223 1.00 0.00 H new ATOM 683 N ARG A 42 0.931 20.045 -1.247 1.00 0.00 N ATOM 684 CA ARG A 42 1.529 20.772 -0.133 1.00 0.00 C ATOM 685 C ARG A 42 1.471 22.276 -0.383 1.00 0.00 C ATOM 686 O ARG A 42 1.803 23.073 0.495 1.00 0.00 O ATOM 687 CB ARG A 42 2.985 20.339 0.049 1.00 0.00 C ATOM 688 CG ARG A 42 3.550 20.970 1.323 1.00 0.00 C ATOM 689 CD ARG A 42 4.899 20.331 1.656 1.00 0.00 C ATOM 690 NE ARG A 42 5.713 21.251 2.442 1.00 0.00 N ATOM 691 CZ ARG A 42 6.707 20.809 3.205 1.00 0.00 C ATOM 692 NH1 ARG A 42 6.969 19.532 3.260 1.00 0.00 N ATOM 693 NH2 ARG A 42 7.422 21.653 3.898 1.00 0.00 N ATOM 0 H ARG A 42 1.564 19.401 -1.720 1.00 0.00 H new ATOM 0 HA ARG A 42 0.966 20.544 0.772 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.047 19.253 0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.577 20.644 -0.814 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.669 22.045 1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.855 20.828 2.150 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.744 19.406 2.211 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.421 20.067 0.736 1.00 0.00 H new ATOM 0 HE ARG A 42 5.516 22.251 2.405 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.411 18.873 2.717 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.732 19.193 3.846 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.218 22.651 3.854 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.185 21.314 4.484 1.00 0.00 H new ATOM 707 N LYS A 43 1.049 22.655 -1.584 1.00 0.00 N ATOM 708 CA LYS A 43 0.952 24.067 -1.939 1.00 0.00 C ATOM 709 C LYS A 43 -0.446 24.600 -1.639 1.00 0.00 C ATOM 710 O LYS A 43 -0.753 25.758 -1.923 1.00 0.00 O ATOM 711 CB LYS A 43 1.264 24.257 -3.424 1.00 0.00 C ATOM 712 CG LYS A 43 2.675 24.829 -3.583 1.00 0.00 C ATOM 713 CD LYS A 43 3.707 23.757 -3.223 1.00 0.00 C ATOM 714 CE LYS A 43 4.648 23.533 -4.410 1.00 0.00 C ATOM 715 NZ LYS A 43 5.548 24.711 -4.560 1.00 0.00 N ATOM 0 H LYS A 43 0.770 22.010 -2.324 1.00 0.00 H new ATOM 0 HA LYS A 43 1.677 24.622 -1.343 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.186 23.304 -3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.535 24.929 -3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.828 25.166 -4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.800 25.700 -2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.277 24.066 -2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.204 22.826 -2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.237 22.629 -4.255 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.071 23.385 -5.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.210 24.545 -5.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.980 25.559 -4.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.084 24.853 -3.680 1.00 0.00 H new ATOM 729 N ARG A 44 -1.288 23.749 -1.063 1.00 0.00 N ATOM 730 CA ARG A 44 -2.652 24.148 -0.730 1.00 0.00 C ATOM 731 C ARG A 44 -2.643 25.280 0.293 1.00 0.00 C ATOM 732 O ARG A 44 -2.894 25.059 1.478 1.00 0.00 O ATOM 733 CB ARG A 44 -3.422 22.954 -0.165 1.00 0.00 C ATOM 734 CG ARG A 44 -4.922 23.248 -0.207 1.00 0.00 C ATOM 735 CD ARG A 44 -5.540 22.581 -1.437 1.00 0.00 C ATOM 736 NE ARG A 44 -6.971 22.854 -1.493 1.00 0.00 N ATOM 737 CZ ARG A 44 -7.821 22.232 -0.682 1.00 0.00 C ATOM 738 NH1 ARG A 44 -7.380 21.360 0.181 1.00 0.00 N ATOM 739 NH2 ARG A 44 -9.098 22.493 -0.752 1.00 0.00 N ATOM 0 H ARG A 44 -1.054 22.787 -0.818 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.141 24.498 -1.639 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.200 22.058 -0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.108 22.757 0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.401 22.878 0.699 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.091 24.324 -0.240 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.056 22.950 -2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.369 21.505 -1.401 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.326 23.534 -2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.382 21.155 0.234 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.033 20.883 0.803 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.443 23.174 -1.429 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.751 22.016 -0.130 1.00 0.00 H new ATOM 753 N GLN A 45 -2.353 26.490 -0.173 1.00 0.00 N ATOM 754 CA GLN A 45 -2.314 27.648 0.711 1.00 0.00 C ATOM 755 C GLN A 45 -2.799 28.897 -0.020 1.00 0.00 C ATOM 756 O GLN A 45 -2.020 29.809 -0.297 1.00 0.00 O ATOM 757 CB GLN A 45 -0.887 27.872 1.216 1.00 0.00 C ATOM 758 CG GLN A 45 -0.398 26.614 1.936 1.00 0.00 C ATOM 759 CD GLN A 45 1.000 26.844 2.495 1.00 0.00 C ATOM 760 OE1 GLN A 45 1.214 26.733 3.702 1.00 0.00 O ATOM 761 NE2 GLN A 45 1.973 27.158 1.685 1.00 0.00 N ATOM 0 H GLN A 45 -2.143 26.693 -1.150 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.973 27.457 1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.227 28.106 0.381 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.859 28.726 1.893 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.084 26.357 2.743 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.388 25.770 1.246 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.795 27.250 0.685 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.912 27.312 2.052 1.00 0.00 H new ATOM 770 N PRO A 46 -4.065 28.948 -0.330 1.00 0.00 N ATOM 771 CA PRO A 46 -4.677 30.105 -1.041 1.00 0.00 C ATOM 772 C PRO A 46 -4.202 31.443 -0.480 1.00 0.00 C ATOM 773 O PRO A 46 -4.388 31.732 0.702 1.00 0.00 O ATOM 774 CB PRO A 46 -6.175 29.912 -0.810 1.00 0.00 C ATOM 775 CG PRO A 46 -6.359 28.441 -0.625 1.00 0.00 C ATOM 776 CD PRO A 46 -5.055 27.901 -0.033 1.00 0.00 C ATOM 0 HA PRO A 46 -4.403 30.133 -2.096 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.512 30.464 0.067 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.754 30.277 -1.658 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.198 28.237 0.040 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.581 27.957 -1.576 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.145 27.730 1.040 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.776 26.949 -0.485 1.00 0.00 H new ATOM 784 N ASP A 47 -3.581 32.249 -1.336 1.00 0.00 N ATOM 785 CA ASP A 47 -3.076 33.547 -0.924 1.00 0.00 C ATOM 786 C ASP A 47 -4.218 34.491 -0.582 1.00 0.00 C ATOM 787 O ASP A 47 -4.175 35.682 -0.889 1.00 0.00 O ATOM 788 CB ASP A 47 -2.207 34.154 -2.028 1.00 0.00 C ATOM 789 CG ASP A 47 -1.201 33.122 -2.527 1.00 0.00 C ATOM 790 OD1 ASP A 47 -0.626 32.436 -1.698 1.00 0.00 O ATOM 791 OD2 ASP A 47 -1.020 33.033 -3.730 1.00 0.00 O ATOM 0 H ASP A 47 -3.417 32.023 -2.317 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.468 33.405 -0.031 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.835 34.490 -2.853 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.683 35.031 -1.649 1.00 0.00 H new ATOM 796 N GLY A 48 -5.234 33.941 0.056 1.00 0.00 N ATOM 797 CA GLY A 48 -6.400 34.725 0.450 1.00 0.00 C ATOM 798 C GLY A 48 -6.974 35.487 -0.740 1.00 0.00 C ATOM 799 O GLY A 48 -6.834 36.707 -0.837 1.00 0.00 O ATOM 0 H GLY A 48 -5.280 32.955 0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.162 34.066 0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.122 35.427 1.236 1.00 0.00 H new ATOM 803 N PRO A 49 -7.612 34.789 -1.639 1.00 0.00 N ATOM 804 CA PRO A 49 -8.225 35.399 -2.852 1.00 0.00 C ATOM 805 C PRO A 49 -9.559 36.076 -2.546 1.00 0.00 C ATOM 806 O PRO A 49 -10.619 35.459 -2.653 1.00 0.00 O ATOM 807 CB PRO A 49 -8.420 34.206 -3.785 1.00 0.00 C ATOM 808 CG PRO A 49 -8.581 33.023 -2.887 1.00 0.00 C ATOM 809 CD PRO A 49 -7.820 33.334 -1.595 1.00 0.00 C ATOM 0 HA PRO A 49 -7.603 36.187 -3.277 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.297 34.341 -4.418 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.564 34.082 -4.449 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.635 32.838 -2.679 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.187 32.124 -3.360 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.393 33.040 -0.715 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.872 32.797 -1.552 1.00 0.00 H new ATOM 817 N LEU A 50 -9.498 37.349 -2.163 1.00 0.00 N ATOM 818 CA LEU A 50 -10.709 38.097 -1.844 1.00 0.00 C ATOM 819 C LEU A 50 -11.480 37.411 -0.721 1.00 0.00 C ATOM 820 O LEU A 50 -12.659 37.690 -0.505 1.00 0.00 O ATOM 821 CB LEU A 50 -11.598 38.208 -3.084 1.00 0.00 C ATOM 822 CG LEU A 50 -11.471 39.611 -3.681 1.00 0.00 C ATOM 823 CD1 LEU A 50 -12.118 40.629 -2.741 1.00 0.00 C ATOM 824 CD2 LEU A 50 -9.990 39.953 -3.862 1.00 0.00 C ATOM 0 H LEU A 50 -8.632 37.879 -2.067 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.421 39.096 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.306 37.460 -3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.636 38.007 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.974 39.641 -4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.027 41.628 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.172 40.385 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.617 40.601 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.897 40.952 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.489 39.922 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.529 39.229 -4.533 1.00 0.00 H new ATOM 836 N GLU A 51 -10.806 36.513 -0.012 1.00 0.00 N ATOM 837 CA GLU A 51 -11.436 35.791 1.087 1.00 0.00 C ATOM 838 C GLU A 51 -12.548 36.629 1.713 1.00 0.00 C ATOM 839 O GLU A 51 -12.284 37.544 2.491 1.00 0.00 O ATOM 840 CB GLU A 51 -10.391 35.448 2.152 1.00 0.00 C ATOM 841 CG GLU A 51 -10.694 34.066 2.736 1.00 0.00 C ATOM 842 CD GLU A 51 -12.079 34.062 3.373 1.00 0.00 C ATOM 843 OE1 GLU A 51 -12.545 35.128 3.737 1.00 0.00 O ATOM 844 OE2 GLU A 51 -12.654 32.992 3.486 1.00 0.00 O ATOM 0 H GLU A 51 -9.830 36.268 -0.177 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.869 34.872 0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.393 35.459 1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.401 36.199 2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.643 33.311 1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.942 33.803 3.480 1.00 0.00 H new ATOM 851 N HIS A 52 -13.791 36.305 1.370 1.00 0.00 N ATOM 852 CA HIS A 52 -14.935 37.033 1.907 1.00 0.00 C ATOM 853 C HIS A 52 -15.501 36.314 3.127 1.00 0.00 C ATOM 854 O HIS A 52 -16.656 35.887 3.128 1.00 0.00 O ATOM 855 CB HIS A 52 -16.023 37.161 0.839 1.00 0.00 C ATOM 856 CG HIS A 52 -16.602 35.805 0.547 1.00 0.00 C ATOM 857 ND1 HIS A 52 -15.981 34.634 0.952 1.00 0.00 N ATOM 858 CD2 HIS A 52 -17.745 35.417 -0.107 1.00 0.00 C ATOM 859 CE1 HIS A 52 -16.747 33.606 0.541 1.00 0.00 C ATOM 860 NE2 HIS A 52 -17.834 34.028 -0.110 1.00 0.00 N ATOM 0 H HIS A 52 -14.031 35.549 0.728 1.00 0.00 H new ATOM 0 HA HIS A 52 -14.601 38.027 2.205 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -16.807 37.836 1.182 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -15.606 37.593 -0.070 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -18.466 36.088 -0.552 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -16.511 32.567 0.716 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -18.571 33.455 -0.521 1.00 0.00 H new ATOM 869 N HIS A 53 -14.681 36.183 4.164 1.00 0.00 N ATOM 870 CA HIS A 53 -15.112 35.513 5.386 1.00 0.00 C ATOM 871 C HIS A 53 -15.965 34.292 5.054 1.00 0.00 C ATOM 872 O HIS A 53 -15.540 33.411 4.308 1.00 0.00 O ATOM 873 CB HIS A 53 -15.913 36.481 6.257 1.00 0.00 C ATOM 874 CG HIS A 53 -15.057 37.666 6.609 1.00 0.00 C ATOM 875 ND1 HIS A 53 -14.793 38.023 7.923 1.00 0.00 N ATOM 876 CD2 HIS A 53 -14.398 38.585 5.832 1.00 0.00 C ATOM 877 CE1 HIS A 53 -14.007 39.115 7.896 1.00 0.00 C ATOM 878 NE2 HIS A 53 -13.736 39.499 6.647 1.00 0.00 N ATOM 0 H HIS A 53 -13.722 36.529 4.184 1.00 0.00 H new ATOM 0 HA HIS A 53 -14.227 35.185 5.931 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -16.807 36.810 5.727 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -16.248 35.978 7.165 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -14.394 38.597 4.752 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -13.640 39.619 8.778 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.166 40.292 6.353 1.00 0.00 H new ATOM 887 N HIS A 54 -17.170 34.247 5.615 1.00 0.00 N ATOM 888 CA HIS A 54 -18.073 33.128 5.371 1.00 0.00 C ATOM 889 C HIS A 54 -18.928 33.384 4.133 1.00 0.00 C ATOM 890 O HIS A 54 -18.776 34.405 3.462 1.00 0.00 O ATOM 891 CB HIS A 54 -18.979 32.915 6.586 1.00 0.00 C ATOM 892 CG HIS A 54 -18.161 32.406 7.741 1.00 0.00 C ATOM 893 ND1 HIS A 54 -18.742 31.949 8.913 1.00 0.00 N ATOM 894 CD2 HIS A 54 -16.805 32.279 7.920 1.00 0.00 C ATOM 895 CE1 HIS A 54 -17.749 31.571 9.738 1.00 0.00 C ATOM 896 NE2 HIS A 54 -16.548 31.752 9.183 1.00 0.00 N ATOM 0 H HIS A 54 -17.541 34.966 6.236 1.00 0.00 H new ATOM 0 HA HIS A 54 -17.474 32.233 5.202 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -19.467 33.851 6.857 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -19.768 32.203 6.344 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -16.053 32.547 7.192 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -17.904 31.170 10.729 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -15.638 31.548 9.596 1.00 0.00 H new ATOM 905 N HIS A 55 -19.825 32.450 3.837 1.00 0.00 N ATOM 906 CA HIS A 55 -20.699 32.582 2.676 1.00 0.00 C ATOM 907 C HIS A 55 -21.843 33.547 2.972 1.00 0.00 C ATOM 908 O HIS A 55 -22.974 33.337 2.533 1.00 0.00 O ATOM 909 CB HIS A 55 -21.275 31.216 2.296 1.00 0.00 C ATOM 910 CG HIS A 55 -20.259 30.446 1.498 1.00 0.00 C ATOM 911 ND1 HIS A 55 -20.027 30.701 0.155 1.00 0.00 N ATOM 912 CD2 HIS A 55 -19.411 29.422 1.837 1.00 0.00 C ATOM 913 CE1 HIS A 55 -19.075 29.846 -0.262 1.00 0.00 C ATOM 914 NE2 HIS A 55 -18.664 29.045 0.725 1.00 0.00 N ATOM 0 H HIS A 55 -19.966 31.598 4.380 1.00 0.00 H new ATOM 0 HA HIS A 55 -20.110 32.974 1.847 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -21.544 30.660 3.194 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -22.188 31.344 1.715 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -19.335 28.976 2.818 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -18.691 29.812 -1.271 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -17.955 28.314 0.674 1.00 0.00 H new ATOM 923 N HIS A 56 -21.541 34.604 3.715 1.00 0.00 N ATOM 924 CA HIS A 56 -22.554 35.593 4.062 1.00 0.00 C ATOM 925 C HIS A 56 -23.817 34.908 4.573 1.00 0.00 C ATOM 926 O HIS A 56 -24.918 35.172 4.089 1.00 0.00 O ATOM 927 CB HIS A 56 -22.891 36.445 2.837 1.00 0.00 C ATOM 928 CG HIS A 56 -21.992 37.649 2.803 1.00 0.00 C ATOM 929 ND1 HIS A 56 -21.561 38.283 3.958 1.00 0.00 N ATOM 930 CD2 HIS A 56 -21.431 38.345 1.761 1.00 0.00 C ATOM 931 CE1 HIS A 56 -20.776 39.311 3.587 1.00 0.00 C ATOM 932 NE2 HIS A 56 -20.664 39.394 2.259 1.00 0.00 N ATOM 0 H HIS A 56 -20.611 34.798 4.086 1.00 0.00 H new ATOM 0 HA HIS A 56 -22.158 36.233 4.851 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -22.766 35.858 1.927 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -23.935 36.758 2.874 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -21.565 38.114 0.715 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -20.295 39.987 4.279 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -20.131 40.079 1.724 1.00 0.00 H new ATOM 941 N HIS A 57 -23.650 34.026 5.554 1.00 0.00 N ATOM 942 CA HIS A 57 -24.783 33.305 6.123 1.00 0.00 C ATOM 943 C HIS A 57 -25.889 33.140 5.085 1.00 0.00 C ATOM 944 O HIS A 57 -25.868 32.205 4.286 1.00 0.00 O ATOM 945 CB HIS A 57 -25.328 34.061 7.337 1.00 0.00 C ATOM 946 CG HIS A 57 -25.651 33.083 8.433 1.00 0.00 C ATOM 947 ND1 HIS A 57 -26.837 32.366 8.461 1.00 0.00 N ATOM 948 CD2 HIS A 57 -24.952 32.693 9.549 1.00 0.00 C ATOM 949 CE1 HIS A 57 -26.816 31.589 9.560 1.00 0.00 C ATOM 950 NE2 HIS A 57 -25.689 31.749 10.258 1.00 0.00 N ATOM 0 H HIS A 57 -22.747 33.795 5.969 1.00 0.00 H new ATOM 0 HA HIS A 57 -24.442 32.318 6.434 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -24.593 34.786 7.687 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -26.221 34.621 7.059 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -23.978 33.063 9.833 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -27.614 30.918 9.843 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -25.425 31.280 11.125 1.00 0.00 H new TER 959 HIS A 57