USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 423 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 TYR OH : rot 180:sc= 1.04 USER MOD Set 1.2: A 43 LYS NZ :NH3+ 161:sc= 1.23 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -110:sc= -0.243 USER MOD Single : A 12 ASN : amide:sc= 0.559 K(o=0.56,f=-12!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.955 K(o=-0.96,f=-0.02) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00217 USER MOD Single : A 50 SER OG : rot 50:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 7.245 -4.188 3.137 1.00 71.25 N ATOM 21 CA ILE A 2 6.479 -3.792 1.966 1.00 72.33 C ATOM 22 C ILE A 2 7.217 -4.180 0.691 1.00 21.01 C ATOM 23 O ILE A 2 8.428 -3.993 0.583 1.00 31.14 O ATOM 24 CB ILE A 2 6.216 -2.273 1.953 1.00 75.52 C ATOM 25 CG1 ILE A 2 5.677 -1.816 3.310 1.00 13.21 C ATOM 26 CG2 ILE A 2 5.240 -1.912 0.840 1.00 32.02 C ATOM 27 CD1 ILE A 2 5.510 -0.316 3.423 1.00 74.25 C ATOM 0 HA ILE A 2 5.523 -4.313 2.012 1.00 72.33 H new ATOM 0 HB ILE A 2 7.158 -1.758 1.764 1.00 75.52 H new ATOM 0 HG12 ILE A 2 4.714 -2.295 3.489 1.00 13.21 H new ATOM 0 HG13 ILE A 2 6.353 -2.158 4.094 1.00 13.21 H new ATOM 0 HG21 ILE A 2 5.065 -0.836 0.844 1.00 32.02 H new ATOM 0 HG22 ILE A 2 5.659 -2.207 -0.122 1.00 32.02 H new ATOM 0 HG23 ILE A 2 4.296 -2.434 1.000 1.00 32.02 H new ATOM 0 HD11 ILE A 2 5.124 -0.066 4.411 1.00 74.25 H new ATOM 0 HD12 ILE A 2 6.475 0.170 3.277 1.00 74.25 H new ATOM 0 HD13 ILE A 2 4.810 0.031 2.662 1.00 74.25 H new ATOM 39 N PHE A 3 6.478 -4.720 -0.262 1.00 30.34 N ATOM 40 CA PHE A 3 7.028 -5.138 -1.529 1.00 3.20 C ATOM 41 C PHE A 3 6.167 -4.599 -2.668 1.00 41.50 C ATOM 42 O PHE A 3 5.012 -4.231 -2.450 1.00 15.25 O ATOM 43 CB PHE A 3 7.099 -6.666 -1.582 1.00 22.44 C ATOM 44 CG PHE A 3 5.788 -7.364 -1.357 1.00 73.25 C ATOM 45 CD1 PHE A 3 5.363 -7.672 -0.075 1.00 55.44 C ATOM 46 CD2 PHE A 3 4.986 -7.722 -2.427 1.00 1.00 C ATOM 47 CE1 PHE A 3 4.163 -8.321 0.136 1.00 11.30 C ATOM 48 CE2 PHE A 3 3.784 -8.371 -2.224 1.00 55.53 C ATOM 49 CZ PHE A 3 3.372 -8.671 -0.940 1.00 5.11 C ATOM 0 H PHE A 3 5.474 -4.880 -0.173 1.00 30.34 H new ATOM 0 HA PHE A 3 8.037 -4.739 -1.638 1.00 3.20 H new ATOM 0 HB2 PHE A 3 7.492 -6.964 -2.554 1.00 22.44 H new ATOM 0 HB3 PHE A 3 7.811 -7.009 -0.832 1.00 22.44 H new ATOM 0 HD1 PHE A 3 5.978 -7.401 0.770 1.00 55.44 H new ATOM 0 HD2 PHE A 3 5.304 -7.491 -3.433 1.00 1.00 H new ATOM 0 HE1 PHE A 3 3.844 -8.554 1.141 1.00 11.30 H new ATOM 0 HE2 PHE A 3 3.167 -8.644 -3.068 1.00 55.53 H new ATOM 0 HZ PHE A 3 2.433 -9.179 -0.778 1.00 5.11 H new ATOM 59 N PRO A 4 6.718 -4.524 -3.891 1.00 73.04 N ATOM 60 CA PRO A 4 5.972 -4.062 -5.063 1.00 61.24 C ATOM 61 C PRO A 4 4.767 -4.953 -5.355 1.00 71.51 C ATOM 62 O PRO A 4 4.893 -6.175 -5.449 1.00 60.53 O ATOM 63 CB PRO A 4 6.991 -4.149 -6.207 1.00 64.21 C ATOM 64 CG PRO A 4 8.322 -4.183 -5.538 1.00 1.13 C ATOM 65 CD PRO A 4 8.106 -4.879 -4.227 1.00 14.21 C ATOM 0 HA PRO A 4 5.569 -3.059 -4.920 1.00 61.24 H new ATOM 0 HB2 PRO A 4 6.830 -5.042 -6.811 1.00 64.21 H new ATOM 0 HB3 PRO A 4 6.907 -3.292 -6.876 1.00 64.21 H new ATOM 0 HG2 PRO A 4 9.052 -4.716 -6.147 1.00 1.13 H new ATOM 0 HG3 PRO A 4 8.709 -3.175 -5.386 1.00 1.13 H new ATOM 0 HD2 PRO A 4 8.237 -5.957 -4.316 1.00 14.21 H new ATOM 0 HD3 PRO A 4 8.807 -4.534 -3.466 1.00 14.21 H new ATOM 73 N GLY A 5 3.600 -4.337 -5.486 1.00 43.23 N ATOM 74 CA GLY A 5 2.388 -5.082 -5.762 1.00 13.01 C ATOM 75 C GLY A 5 1.521 -5.262 -4.531 1.00 41.15 C ATOM 76 O GLY A 5 0.408 -5.779 -4.619 1.00 71.05 O ATOM 0 H GLY A 5 3.471 -3.328 -5.405 1.00 43.23 H new ATOM 0 HA2 GLY A 5 1.816 -4.565 -6.532 1.00 13.01 H new ATOM 0 HA3 GLY A 5 2.651 -6.061 -6.163 1.00 13.01 H new ATOM 80 N ALA A 6 2.025 -4.834 -3.382 1.00 22.54 N ATOM 81 CA ALA A 6 1.293 -4.975 -2.131 1.00 51.25 C ATOM 82 C ALA A 6 0.335 -3.809 -1.917 1.00 23.32 C ATOM 83 O ALA A 6 0.619 -2.680 -2.323 1.00 31.21 O ATOM 84 CB ALA A 6 2.259 -5.083 -0.963 1.00 33.35 C ATOM 0 H ALA A 6 2.937 -4.387 -3.290 1.00 22.54 H new ATOM 0 HA ALA A 6 0.703 -5.890 -2.189 1.00 51.25 H new ATOM 0 HB1 ALA A 6 1.697 -5.188 -0.035 1.00 33.35 H new ATOM 0 HB2 ALA A 6 2.900 -5.954 -1.100 1.00 33.35 H new ATOM 0 HB3 ALA A 6 2.874 -4.184 -0.915 1.00 33.35 H new ATOM 90 N THR A 7 -0.800 -4.093 -1.292 1.00 41.14 N ATOM 91 CA THR A 7 -1.767 -3.066 -0.954 1.00 22.52 C ATOM 92 C THR A 7 -1.406 -2.426 0.385 1.00 62.40 C ATOM 93 O THR A 7 -1.253 -3.119 1.396 1.00 43.55 O ATOM 94 CB THR A 7 -3.186 -3.654 -0.863 1.00 32.21 C ATOM 95 OG1 THR A 7 -3.373 -4.647 -1.884 1.00 20.11 O ATOM 96 CG2 THR A 7 -4.235 -2.564 -1.014 1.00 71.41 C ATOM 0 H THR A 7 -1.072 -5.034 -1.009 1.00 41.14 H new ATOM 0 HA THR A 7 -1.745 -2.313 -1.742 1.00 22.52 H new ATOM 0 HB THR A 7 -3.301 -4.114 0.118 1.00 32.21 H new ATOM 0 HG1 THR A 7 -4.278 -5.018 -1.818 1.00 20.11 H new ATOM 0 HG21 THR A 7 -5.230 -3.004 -0.946 1.00 71.41 H new ATOM 0 HG22 THR A 7 -4.110 -1.826 -0.221 1.00 71.41 H new ATOM 0 HG23 THR A 7 -4.118 -2.079 -1.983 1.00 71.41 H new ATOM 104 N VAL A 8 -1.263 -1.112 0.390 1.00 2.04 N ATOM 105 CA VAL A 8 -0.868 -0.392 1.588 1.00 72.54 C ATOM 106 C VAL A 8 -1.821 0.757 1.884 1.00 2.14 C ATOM 107 O VAL A 8 -2.344 1.402 0.975 1.00 70.24 O ATOM 108 CB VAL A 8 0.567 0.160 1.471 1.00 54.31 C ATOM 109 CG1 VAL A 8 1.583 -0.973 1.489 1.00 15.04 C ATOM 110 CG2 VAL A 8 0.721 1.001 0.210 1.00 15.45 C ATOM 0 H VAL A 8 -1.415 -0.520 -0.426 1.00 2.04 H new ATOM 0 HA VAL A 8 -0.906 -1.109 2.408 1.00 72.54 H new ATOM 0 HB VAL A 8 0.756 0.801 2.332 1.00 54.31 H new ATOM 0 HG11 VAL A 8 2.589 -0.561 1.405 1.00 15.04 H new ATOM 0 HG12 VAL A 8 1.494 -1.527 2.424 1.00 15.04 H new ATOM 0 HG13 VAL A 8 1.395 -1.644 0.651 1.00 15.04 H new ATOM 0 HG21 VAL A 8 1.741 1.380 0.148 1.00 15.45 H new ATOM 0 HG22 VAL A 8 0.508 0.387 -0.665 1.00 15.45 H new ATOM 0 HG23 VAL A 8 0.024 1.838 0.244 1.00 15.45 H new ATOM 120 N ARG A 9 -2.049 0.996 3.163 1.00 50.24 N ATOM 121 CA ARG A 9 -2.898 2.087 3.609 1.00 33.31 C ATOM 122 C ARG A 9 -2.045 3.263 4.067 1.00 53.35 C ATOM 123 O ARG A 9 -1.108 3.090 4.851 1.00 3.10 O ATOM 124 CB ARG A 9 -3.804 1.600 4.745 1.00 21.24 C ATOM 125 CG ARG A 9 -4.457 2.710 5.555 1.00 34.13 C ATOM 126 CD ARG A 9 -5.448 2.143 6.560 1.00 54.12 C ATOM 127 NE ARG A 9 -5.713 3.067 7.663 1.00 43.21 N ATOM 128 CZ ARG A 9 -6.908 3.589 7.940 1.00 31.21 C ATOM 129 NH1 ARG A 9 -7.952 3.359 7.150 1.00 33.14 N ATOM 130 NH2 ARG A 9 -7.051 4.355 9.013 1.00 14.11 N ATOM 0 H ARG A 9 -1.652 0.441 3.921 1.00 50.24 H new ATOM 0 HA ARG A 9 -3.522 2.422 2.780 1.00 33.31 H new ATOM 0 HB2 ARG A 9 -4.586 0.968 4.323 1.00 21.24 H new ATOM 0 HB3 ARG A 9 -3.217 0.975 5.418 1.00 21.24 H new ATOM 0 HG2 ARG A 9 -3.691 3.282 6.078 1.00 34.13 H new ATOM 0 HG3 ARG A 9 -4.969 3.401 4.885 1.00 34.13 H new ATOM 0 HD2 ARG A 9 -6.384 1.910 6.052 1.00 54.12 H new ATOM 0 HD3 ARG A 9 -5.060 1.206 6.960 1.00 54.12 H new ATOM 0 HE ARG A 9 -4.930 3.330 8.261 1.00 43.21 H new ATOM 0 HH11 ARG A 9 -7.845 2.777 6.320 1.00 33.14 H new ATOM 0 HH12 ARG A 9 -8.860 3.765 7.374 1.00 33.14 H new ATOM 0 HH21 ARG A 9 -6.251 4.540 9.618 1.00 14.11 H new ATOM 0 HH22 ARG A 9 -7.961 4.759 9.234 1.00 14.11 H new ATOM 144 N VAL A 10 -2.357 4.453 3.568 1.00 3.20 N ATOM 145 CA VAL A 10 -1.659 5.659 3.993 1.00 72.13 C ATOM 146 C VAL A 10 -2.016 5.955 5.444 1.00 55.12 C ATOM 147 O VAL A 10 -3.162 6.280 5.755 1.00 12.55 O ATOM 148 CB VAL A 10 -2.014 6.872 3.110 1.00 41.21 C ATOM 149 CG1 VAL A 10 -1.225 8.103 3.535 1.00 71.40 C ATOM 150 CG2 VAL A 10 -1.769 6.557 1.641 1.00 23.04 C ATOM 0 H VAL A 10 -3.086 4.608 2.871 1.00 3.20 H new ATOM 0 HA VAL A 10 -0.588 5.485 3.893 1.00 72.13 H new ATOM 0 HB VAL A 10 -3.074 7.088 3.242 1.00 41.21 H new ATOM 0 HG11 VAL A 10 -1.493 8.945 2.897 1.00 71.40 H new ATOM 0 HG12 VAL A 10 -1.458 8.345 4.572 1.00 71.40 H new ATOM 0 HG13 VAL A 10 -0.158 7.902 3.441 1.00 71.40 H new ATOM 0 HG21 VAL A 10 -2.026 7.426 1.035 1.00 23.04 H new ATOM 0 HG22 VAL A 10 -0.718 6.309 1.493 1.00 23.04 H new ATOM 0 HG23 VAL A 10 -2.388 5.711 1.342 1.00 23.04 H new ATOM 160 N THR A 11 -1.041 5.816 6.330 1.00 4.22 N ATOM 161 CA THR A 11 -1.299 5.898 7.759 1.00 44.42 C ATOM 162 C THR A 11 -0.653 7.140 8.384 1.00 44.43 C ATOM 163 O THR A 11 -0.605 7.286 9.607 1.00 41.45 O ATOM 164 CB THR A 11 -0.795 4.618 8.450 1.00 41.42 C ATOM 165 OG1 THR A 11 -1.159 3.490 7.650 1.00 44.23 O ATOM 166 CG2 THR A 11 -1.399 4.454 9.839 1.00 33.13 C ATOM 0 H THR A 11 -0.066 5.646 6.085 1.00 4.22 H new ATOM 0 HA THR A 11 -2.375 5.988 7.905 1.00 44.42 H new ATOM 0 HB THR A 11 0.287 4.690 8.557 1.00 41.42 H new ATOM 0 HG1 THR A 11 -1.855 2.975 8.108 1.00 44.23 H new ATOM 0 HG21 THR A 11 -1.020 3.540 10.295 1.00 33.13 H new ATOM 0 HG22 THR A 11 -1.126 5.309 10.458 1.00 33.13 H new ATOM 0 HG23 THR A 11 -2.485 4.396 9.759 1.00 33.13 H new ATOM 174 N ASN A 12 -0.167 8.047 7.549 1.00 1.40 N ATOM 175 CA ASN A 12 0.340 9.316 8.051 1.00 44.25 C ATOM 176 C ASN A 12 -0.831 10.261 8.264 1.00 25.04 C ATOM 177 O ASN A 12 -1.478 10.686 7.309 1.00 34.22 O ATOM 178 CB ASN A 12 1.366 9.939 7.094 1.00 61.21 C ATOM 179 CG ASN A 12 2.056 11.160 7.694 1.00 20.02 C ATOM 180 OD1 ASN A 12 1.489 11.875 8.518 1.00 65.33 O ATOM 181 ND2 ASN A 12 3.293 11.404 7.299 1.00 33.00 N ATOM 0 H ASN A 12 -0.113 7.932 6.537 1.00 1.40 H new ATOM 0 HA ASN A 12 0.854 9.138 8.996 1.00 44.25 H new ATOM 0 HB2 ASN A 12 2.116 9.192 6.834 1.00 61.21 H new ATOM 0 HB3 ASN A 12 0.868 10.225 6.168 1.00 61.21 H new ATOM 0 HD21 ASN A 12 3.802 12.202 7.679 1.00 33.00 H new ATOM 0 HD22 ASN A 12 3.739 10.794 6.614 1.00 33.00 H new ATOM 188 N VAL A 13 -1.092 10.581 9.524 1.00 1.32 N ATOM 189 CA VAL A 13 -2.254 11.382 9.903 1.00 52.33 C ATOM 190 C VAL A 13 -2.143 12.813 9.374 1.00 51.10 C ATOM 191 O VAL A 13 -3.146 13.513 9.227 1.00 62.34 O ATOM 192 CB VAL A 13 -2.416 11.416 11.437 1.00 14.34 C ATOM 193 CG1 VAL A 13 -3.739 12.053 11.839 1.00 12.51 C ATOM 194 CG2 VAL A 13 -2.297 10.017 12.021 1.00 13.14 C ATOM 0 H VAL A 13 -0.509 10.296 10.311 1.00 1.32 H new ATOM 0 HA VAL A 13 -3.130 10.912 9.456 1.00 52.33 H new ATOM 0 HB VAL A 13 -1.612 12.030 11.843 1.00 14.34 H new ATOM 0 HG11 VAL A 13 -3.823 12.062 12.926 1.00 12.51 H new ATOM 0 HG12 VAL A 13 -3.780 13.075 11.463 1.00 12.51 H new ATOM 0 HG13 VAL A 13 -4.563 11.478 11.416 1.00 12.51 H new ATOM 0 HG21 VAL A 13 -2.414 10.064 13.104 1.00 13.14 H new ATOM 0 HG22 VAL A 13 -3.074 9.379 11.599 1.00 13.14 H new ATOM 0 HG23 VAL A 13 -1.318 9.604 11.780 1.00 13.14 H new ATOM 204 N ASP A 14 -0.920 13.230 9.081 1.00 73.22 N ATOM 205 CA ASP A 14 -0.657 14.580 8.596 1.00 35.31 C ATOM 206 C ASP A 14 -1.193 14.778 7.180 1.00 42.13 C ATOM 207 O ASP A 14 -1.616 15.877 6.811 1.00 3.41 O ATOM 208 CB ASP A 14 0.848 14.861 8.627 1.00 31.12 C ATOM 209 CG ASP A 14 1.207 16.214 8.053 1.00 70.12 C ATOM 210 OD1 ASP A 14 0.946 17.232 8.724 1.00 72.51 O ATOM 211 OD2 ASP A 14 1.765 16.264 6.939 1.00 12.22 O ATOM 0 H ASP A 14 -0.087 12.649 9.171 1.00 73.22 H new ATOM 0 HA ASP A 14 -1.173 15.280 9.253 1.00 35.31 H new ATOM 0 HB2 ASP A 14 1.202 14.803 9.656 1.00 31.12 H new ATOM 0 HB3 ASP A 14 1.369 14.085 8.067 1.00 31.12 H new ATOM 216 N ASP A 15 -1.201 13.707 6.399 1.00 75.23 N ATOM 217 CA ASP A 15 -1.581 13.799 4.993 1.00 12.42 C ATOM 218 C ASP A 15 -3.091 13.656 4.822 1.00 54.21 C ATOM 219 O ASP A 15 -3.789 13.164 5.710 1.00 35.41 O ATOM 220 CB ASP A 15 -0.850 12.744 4.155 1.00 64.00 C ATOM 221 CG ASP A 15 -1.106 12.920 2.669 1.00 21.24 C ATOM 222 OD1 ASP A 15 -0.554 13.871 2.072 1.00 12.23 O ATOM 223 OD2 ASP A 15 -1.889 12.135 2.100 1.00 43.34 O ATOM 0 H ASP A 15 -0.951 12.769 6.711 1.00 75.23 H new ATOM 0 HA ASP A 15 -1.287 14.786 4.637 1.00 12.42 H new ATOM 0 HB2 ASP A 15 0.221 12.806 4.348 1.00 64.00 H new ATOM 0 HB3 ASP A 15 -1.172 11.749 4.463 1.00 64.00 H new ATOM 228 N THR A 16 -3.584 14.092 3.675 1.00 31.23 N ATOM 229 CA THR A 16 -5.008 14.088 3.387 1.00 34.30 C ATOM 230 C THR A 16 -5.502 12.686 3.010 1.00 75.54 C ATOM 231 O THR A 16 -6.683 12.370 3.168 1.00 32.43 O ATOM 232 CB THR A 16 -5.314 15.075 2.243 1.00 11.30 C ATOM 233 OG1 THR A 16 -4.726 16.349 2.545 1.00 32.44 O ATOM 234 CG2 THR A 16 -6.813 15.244 2.034 1.00 61.33 C ATOM 0 H THR A 16 -3.008 14.459 2.917 1.00 31.23 H new ATOM 0 HA THR A 16 -5.534 14.398 4.290 1.00 34.30 H new ATOM 0 HB THR A 16 -4.890 14.671 1.324 1.00 11.30 H new ATOM 0 HG1 THR A 16 -4.917 16.978 1.818 1.00 32.44 H new ATOM 0 HG21 THR A 16 -6.990 15.947 1.220 1.00 61.33 H new ATOM 0 HG22 THR A 16 -7.256 14.280 1.784 1.00 61.33 H new ATOM 0 HG23 THR A 16 -7.267 15.626 2.948 1.00 61.33 H new ATOM 242 N TYR A 17 -4.595 11.838 2.538 1.00 54.21 N ATOM 243 CA TYR A 17 -4.967 10.497 2.102 1.00 42.42 C ATOM 244 C TYR A 17 -4.917 9.498 3.255 1.00 61.25 C ATOM 245 O TYR A 17 -4.865 8.287 3.035 1.00 73.21 O ATOM 246 CB TYR A 17 -4.065 10.038 0.951 1.00 22.22 C ATOM 247 CG TYR A 17 -4.332 10.760 -0.354 1.00 51.52 C ATOM 248 CD1 TYR A 17 -3.669 11.938 -0.675 1.00 1.12 C ATOM 249 CD2 TYR A 17 -5.251 10.260 -1.267 1.00 1.01 C ATOM 250 CE1 TYR A 17 -3.914 12.595 -1.867 1.00 71.51 C ATOM 251 CE2 TYR A 17 -5.501 10.910 -2.461 1.00 74.52 C ATOM 252 CZ TYR A 17 -4.830 12.077 -2.755 1.00 51.41 C ATOM 253 OH TYR A 17 -5.077 12.729 -3.944 1.00 12.53 O ATOM 0 H TYR A 17 -3.602 12.053 2.448 1.00 54.21 H new ATOM 0 HA TYR A 17 -5.996 10.537 1.746 1.00 42.42 H new ATOM 0 HB2 TYR A 17 -3.023 10.190 1.234 1.00 22.22 H new ATOM 0 HB3 TYR A 17 -4.201 8.967 0.799 1.00 22.22 H new ATOM 0 HD1 TYR A 17 -2.950 12.348 0.019 1.00 1.12 H new ATOM 0 HD2 TYR A 17 -5.780 9.346 -1.040 1.00 1.01 H new ATOM 0 HE1 TYR A 17 -3.389 13.510 -2.100 1.00 71.51 H new ATOM 0 HE2 TYR A 17 -6.218 10.505 -3.160 1.00 74.52 H new ATOM 0 HH TYR A 17 -5.748 12.232 -4.456 1.00 12.53 H new ATOM 263 N TYR A 18 -4.975 10.013 4.479 1.00 54.14 N ATOM 264 CA TYR A 18 -4.964 9.175 5.678 1.00 61.45 C ATOM 265 C TYR A 18 -6.286 8.417 5.826 1.00 44.13 C ATOM 266 O TYR A 18 -7.158 8.801 6.611 1.00 62.34 O ATOM 267 CB TYR A 18 -4.674 10.027 6.923 1.00 54.24 C ATOM 268 CG TYR A 18 -4.790 9.280 8.238 1.00 22.13 C ATOM 269 CD1 TYR A 18 -4.041 8.136 8.487 1.00 45.33 C ATOM 270 CD2 TYR A 18 -5.660 9.719 9.228 1.00 20.31 C ATOM 271 CE1 TYR A 18 -4.154 7.454 9.686 1.00 5.33 C ATOM 272 CE2 TYR A 18 -5.779 9.044 10.428 1.00 5.24 C ATOM 273 CZ TYR A 18 -5.024 7.913 10.653 1.00 44.42 C ATOM 274 OH TYR A 18 -5.144 7.236 11.847 1.00 12.41 O ATOM 0 H TYR A 18 -5.031 11.014 4.670 1.00 54.14 H new ATOM 0 HA TYR A 18 -4.168 8.437 5.576 1.00 61.45 H new ATOM 0 HB2 TYR A 18 -3.668 10.437 6.840 1.00 54.24 H new ATOM 0 HB3 TYR A 18 -5.362 10.872 6.938 1.00 54.24 H new ATOM 0 HD1 TYR A 18 -3.359 7.773 7.732 1.00 45.33 H new ATOM 0 HD2 TYR A 18 -6.254 10.604 9.057 1.00 20.31 H new ATOM 0 HE1 TYR A 18 -3.564 6.567 9.864 1.00 5.33 H new ATOM 0 HE2 TYR A 18 -6.460 9.401 11.186 1.00 5.24 H new ATOM 0 HH TYR A 18 -5.798 7.692 12.417 1.00 12.41 H new ATOM 284 N ARG A 19 -6.422 7.361 5.027 1.00 62.44 N ATOM 285 CA ARG A 19 -7.604 6.498 5.008 1.00 11.20 C ATOM 286 C ARG A 19 -7.569 5.609 3.775 1.00 62.15 C ATOM 287 O ARG A 19 -8.063 4.482 3.793 1.00 61.21 O ATOM 288 CB ARG A 19 -8.913 7.302 4.994 1.00 4.54 C ATOM 289 CG ARG A 19 -9.002 8.323 3.866 1.00 70.44 C ATOM 290 CD ARG A 19 -10.422 8.827 3.684 1.00 13.34 C ATOM 291 NE ARG A 19 -11.288 7.812 3.088 1.00 14.14 N ATOM 292 CZ ARG A 19 -12.573 8.008 2.787 1.00 21.15 C ATOM 293 NH1 ARG A 19 -13.157 9.167 3.050 1.00 41.11 N ATOM 294 NH2 ARG A 19 -13.272 7.040 2.211 1.00 44.14 N ATOM 0 H ARG A 19 -5.703 7.075 4.363 1.00 62.44 H new ATOM 0 HA ARG A 19 -7.580 5.901 5.920 1.00 11.20 H new ATOM 0 HB2 ARG A 19 -9.751 6.610 4.911 1.00 4.54 H new ATOM 0 HB3 ARG A 19 -9.020 7.819 5.948 1.00 4.54 H new ATOM 0 HG2 ARG A 19 -8.341 9.163 4.081 1.00 70.44 H new ATOM 0 HG3 ARG A 19 -8.653 7.872 2.937 1.00 70.44 H new ATOM 0 HD2 ARG A 19 -10.827 9.128 4.650 1.00 13.34 H new ATOM 0 HD3 ARG A 19 -10.414 9.714 3.051 1.00 13.34 H new ATOM 0 HE ARG A 19 -10.885 6.896 2.890 1.00 14.14 H new ATOM 0 HH11 ARG A 19 -12.624 9.919 3.486 1.00 41.11 H new ATOM 0 HH12 ARG A 19 -14.140 9.307 2.816 1.00 41.11 H new ATOM 0 HH21 ARG A 19 -12.827 6.147 1.999 1.00 44.14 H new ATOM 0 HH22 ARG A 19 -14.254 7.188 1.980 1.00 44.14 H new ATOM 308 N PHE A 20 -6.972 6.128 2.708 1.00 2.30 N ATOM 309 CA PHE A 20 -6.976 5.449 1.426 1.00 73.44 C ATOM 310 C PHE A 20 -5.954 4.324 1.387 1.00 40.41 C ATOM 311 O PHE A 20 -4.922 4.371 2.065 1.00 0.34 O ATOM 312 CB PHE A 20 -6.708 6.440 0.290 1.00 2.44 C ATOM 313 CG PHE A 20 -7.813 7.437 0.081 1.00 40.11 C ATOM 314 CD1 PHE A 20 -8.964 7.078 -0.606 1.00 71.23 C ATOM 315 CD2 PHE A 20 -7.705 8.730 0.566 1.00 55.23 C ATOM 316 CE1 PHE A 20 -9.983 7.989 -0.804 1.00 74.45 C ATOM 317 CE2 PHE A 20 -8.722 9.646 0.371 1.00 1.24 C ATOM 318 CZ PHE A 20 -9.862 9.274 -0.314 1.00 73.43 C ATOM 0 H PHE A 20 -6.478 7.021 2.710 1.00 2.30 H new ATOM 0 HA PHE A 20 -7.965 5.012 1.291 1.00 73.44 H new ATOM 0 HB2 PHE A 20 -5.782 6.976 0.499 1.00 2.44 H new ATOM 0 HB3 PHE A 20 -6.553 5.885 -0.635 1.00 2.44 H new ATOM 0 HD1 PHE A 20 -9.064 6.074 -0.991 1.00 71.23 H new ATOM 0 HD2 PHE A 20 -6.816 9.026 1.103 1.00 55.23 H new ATOM 0 HE1 PHE A 20 -10.873 7.697 -1.341 1.00 74.45 H new ATOM 0 HE2 PHE A 20 -8.625 10.651 0.754 1.00 1.24 H new ATOM 0 HZ PHE A 20 -10.658 9.988 -0.466 1.00 73.43 H new ATOM 328 N GLU A 21 -6.256 3.321 0.584 1.00 51.43 N ATOM 329 CA GLU A 21 -5.412 2.149 0.443 1.00 74.22 C ATOM 330 C GLU A 21 -5.071 1.941 -1.029 1.00 42.23 C ATOM 331 O GLU A 21 -5.964 1.825 -1.870 1.00 2.22 O ATOM 332 CB GLU A 21 -6.133 0.927 1.016 1.00 73.10 C ATOM 333 CG GLU A 21 -6.488 1.087 2.487 1.00 34.14 C ATOM 334 CD GLU A 21 -7.512 0.085 2.972 1.00 12.24 C ATOM 335 OE1 GLU A 21 -8.719 0.304 2.729 1.00 43.21 O ATOM 336 OE2 GLU A 21 -7.125 -0.900 3.628 1.00 53.20 O ATOM 0 H GLU A 21 -7.098 3.296 0.008 1.00 51.43 H new ATOM 0 HA GLU A 21 -4.483 2.292 0.996 1.00 74.22 H new ATOM 0 HB2 GLU A 21 -7.044 0.747 0.445 1.00 73.10 H new ATOM 0 HB3 GLU A 21 -5.501 0.047 0.893 1.00 73.10 H new ATOM 0 HG2 GLU A 21 -5.582 0.987 3.084 1.00 34.14 H new ATOM 0 HG3 GLU A 21 -6.870 2.094 2.653 1.00 34.14 H new ATOM 343 N GLY A 22 -3.784 1.909 -1.336 1.00 31.33 N ATOM 344 CA GLY A 22 -3.354 1.824 -2.718 1.00 33.31 C ATOM 345 C GLY A 22 -2.322 0.739 -2.937 1.00 12.10 C ATOM 346 O GLY A 22 -1.954 0.030 -2.001 1.00 71.22 O ATOM 0 H GLY A 22 -3.027 1.940 -0.653 1.00 31.33 H new ATOM 0 HA2 GLY A 22 -4.219 1.632 -3.353 1.00 33.31 H new ATOM 0 HA3 GLY A 22 -2.939 2.784 -3.026 1.00 33.31 H new ATOM 350 N LEU A 23 -1.853 0.610 -4.170 1.00 13.24 N ATOM 351 CA LEU A 23 -0.894 -0.416 -4.524 1.00 41.44 C ATOM 352 C LEU A 23 0.512 0.159 -4.634 1.00 70.20 C ATOM 353 O LEU A 23 0.712 1.228 -5.212 1.00 72.00 O ATOM 354 CB LEU A 23 -1.293 -1.049 -5.853 1.00 74.03 C ATOM 355 CG LEU A 23 -2.528 -1.949 -5.806 1.00 20.33 C ATOM 356 CD1 LEU A 23 -2.880 -2.437 -7.201 1.00 40.44 C ATOM 357 CD2 LEU A 23 -2.291 -3.128 -4.874 1.00 13.33 C ATOM 0 H LEU A 23 -2.127 1.212 -4.946 1.00 13.24 H new ATOM 0 HA LEU A 23 -0.893 -1.171 -3.738 1.00 41.44 H new ATOM 0 HB2 LEU A 23 -1.472 -0.253 -6.576 1.00 74.03 H new ATOM 0 HB3 LEU A 23 -0.452 -1.634 -6.224 1.00 74.03 H new ATOM 0 HG LEU A 23 -3.366 -1.368 -5.421 1.00 20.33 H new ATOM 0 HD11 LEU A 23 -3.761 -3.077 -7.151 1.00 40.44 H new ATOM 0 HD12 LEU A 23 -3.088 -1.582 -7.844 1.00 40.44 H new ATOM 0 HD13 LEU A 23 -2.043 -3.003 -7.610 1.00 40.44 H new ATOM 0 HD21 LEU A 23 -3.180 -3.759 -4.852 1.00 13.33 H new ATOM 0 HD22 LEU A 23 -1.442 -3.710 -5.232 1.00 13.33 H new ATOM 0 HD23 LEU A 23 -2.081 -2.761 -3.869 1.00 13.33 H new ATOM 369 N VAL A 24 1.481 -0.548 -4.077 1.00 52.11 N ATOM 370 CA VAL A 24 2.875 -0.155 -4.202 1.00 70.55 C ATOM 371 C VAL A 24 3.388 -0.491 -5.592 1.00 71.35 C ATOM 372 O VAL A 24 3.530 -1.659 -5.948 1.00 25.13 O ATOM 373 CB VAL A 24 3.764 -0.849 -3.150 1.00 64.11 C ATOM 374 CG1 VAL A 24 5.208 -0.393 -3.279 1.00 31.54 C ATOM 375 CG2 VAL A 24 3.241 -0.576 -1.753 1.00 40.34 C ATOM 0 H VAL A 24 1.328 -1.398 -3.534 1.00 52.11 H new ATOM 0 HA VAL A 24 2.926 0.921 -4.034 1.00 70.55 H new ATOM 0 HB VAL A 24 3.731 -1.924 -3.328 1.00 64.11 H new ATOM 0 HG11 VAL A 24 5.817 -0.895 -2.527 1.00 31.54 H new ATOM 0 HG12 VAL A 24 5.581 -0.641 -4.273 1.00 31.54 H new ATOM 0 HG13 VAL A 24 5.264 0.685 -3.130 1.00 31.54 H new ATOM 0 HG21 VAL A 24 3.879 -1.073 -1.022 1.00 40.34 H new ATOM 0 HG22 VAL A 24 3.244 0.498 -1.567 1.00 40.34 H new ATOM 0 HG23 VAL A 24 2.224 -0.957 -1.665 1.00 40.34 H new ATOM 385 N GLN A 25 3.652 0.542 -6.374 1.00 41.43 N ATOM 386 CA GLN A 25 4.142 0.371 -7.734 1.00 53.41 C ATOM 387 C GLN A 25 5.587 -0.087 -7.702 1.00 33.32 C ATOM 388 O GLN A 25 6.001 -0.971 -8.451 1.00 41.33 O ATOM 389 CB GLN A 25 4.045 1.699 -8.487 1.00 20.20 C ATOM 390 CG GLN A 25 4.455 1.615 -9.951 1.00 33.45 C ATOM 391 CD GLN A 25 3.531 0.747 -10.786 1.00 13.13 C ATOM 392 OE1 GLN A 25 3.964 0.112 -11.748 1.00 62.30 O ATOM 393 NE2 GLN A 25 2.249 0.729 -10.441 1.00 11.24 N ATOM 0 H GLN A 25 3.535 1.514 -6.089 1.00 41.43 H new ATOM 0 HA GLN A 25 3.535 -0.379 -8.242 1.00 53.41 H new ATOM 0 HB2 GLN A 25 3.019 2.063 -8.428 1.00 20.20 H new ATOM 0 HB3 GLN A 25 4.674 2.435 -7.986 1.00 20.20 H new ATOM 0 HG2 GLN A 25 4.477 2.620 -10.373 1.00 33.45 H new ATOM 0 HG3 GLN A 25 5.469 1.220 -10.015 1.00 33.45 H new ATOM 0 HE21 GLN A 25 1.930 1.269 -9.637 1.00 11.24 H new ATOM 0 HE22 GLN A 25 1.584 0.175 -10.980 1.00 11.24 H new ATOM 402 N ARG A 26 6.334 0.518 -6.800 1.00 64.45 N ATOM 403 CA ARG A 26 7.760 0.296 -6.697 1.00 60.12 C ATOM 404 C ARG A 26 8.262 0.825 -5.366 1.00 40.22 C ATOM 405 O ARG A 26 7.823 1.876 -4.894 1.00 73.31 O ATOM 406 CB ARG A 26 8.491 0.984 -7.861 1.00 43.52 C ATOM 407 CG ARG A 26 8.149 2.456 -7.996 1.00 61.30 C ATOM 408 CD ARG A 26 8.689 3.047 -9.287 1.00 12.43 C ATOM 409 NE ARG A 26 8.170 4.396 -9.512 1.00 1.11 N ATOM 410 CZ ARG A 26 7.677 4.823 -10.673 1.00 52.12 C ATOM 411 NH1 ARG A 26 7.752 4.058 -11.755 1.00 1.23 N ATOM 412 NH2 ARG A 26 7.128 6.027 -10.756 1.00 51.52 N ATOM 0 H ARG A 26 5.966 1.179 -6.116 1.00 64.45 H new ATOM 0 HA ARG A 26 7.962 -0.774 -6.752 1.00 60.12 H new ATOM 0 HB2 ARG A 26 9.567 0.879 -7.719 1.00 43.52 H new ATOM 0 HB3 ARG A 26 8.241 0.473 -8.791 1.00 43.52 H new ATOM 0 HG2 ARG A 26 7.067 2.582 -7.964 1.00 61.30 H new ATOM 0 HG3 ARG A 26 8.559 3.003 -7.147 1.00 61.30 H new ATOM 0 HD2 ARG A 26 9.778 3.076 -9.249 1.00 12.43 H new ATOM 0 HD3 ARG A 26 8.416 2.406 -10.125 1.00 12.43 H new ATOM 0 HE ARG A 26 8.187 5.051 -8.730 1.00 1.11 H new ATOM 0 HH11 ARG A 26 8.189 3.138 -11.700 1.00 1.23 H new ATOM 0 HH12 ARG A 26 7.373 4.390 -12.642 1.00 1.23 H new ATOM 0 HH21 ARG A 26 7.084 6.625 -9.931 1.00 51.52 H new ATOM 0 HH22 ARG A 26 6.750 6.355 -11.645 1.00 51.52 H new ATOM 426 N VAL A 27 9.141 0.065 -4.753 1.00 4.53 N ATOM 427 CA VAL A 27 9.771 0.458 -3.501 1.00 13.11 C ATOM 428 C VAL A 27 11.115 1.117 -3.785 1.00 2.13 C ATOM 429 O VAL A 27 11.847 0.687 -4.676 1.00 2.52 O ATOM 430 CB VAL A 27 9.979 -0.758 -2.565 1.00 51.33 C ATOM 431 CG1 VAL A 27 10.602 -0.331 -1.241 1.00 3.42 C ATOM 432 CG2 VAL A 27 8.662 -1.478 -2.327 1.00 35.15 C ATOM 0 H VAL A 27 9.443 -0.844 -5.104 1.00 4.53 H new ATOM 0 HA VAL A 27 9.109 1.164 -3.000 1.00 13.11 H new ATOM 0 HB VAL A 27 10.668 -1.446 -3.055 1.00 51.33 H new ATOM 0 HG11 VAL A 27 10.737 -1.205 -0.604 1.00 3.42 H new ATOM 0 HG12 VAL A 27 11.570 0.135 -1.428 1.00 3.42 H new ATOM 0 HG13 VAL A 27 9.946 0.383 -0.744 1.00 3.42 H new ATOM 0 HG21 VAL A 27 8.827 -2.330 -1.667 1.00 35.15 H new ATOM 0 HG22 VAL A 27 7.951 -0.793 -1.865 1.00 35.15 H new ATOM 0 HG23 VAL A 27 8.262 -1.828 -3.278 1.00 35.15 H new ATOM 442 N SER A 28 11.422 2.173 -3.050 1.00 40.43 N ATOM 443 CA SER A 28 12.678 2.881 -3.218 1.00 1.41 C ATOM 444 C SER A 28 13.342 3.070 -1.856 1.00 34.00 C ATOM 445 O SER A 28 13.497 4.200 -1.388 1.00 24.14 O ATOM 446 CB SER A 28 12.428 4.233 -3.903 1.00 12.53 C ATOM 447 OG SER A 28 13.622 4.767 -4.454 1.00 62.53 O ATOM 0 H SER A 28 10.814 2.560 -2.328 1.00 40.43 H new ATOM 0 HA SER A 28 13.347 2.299 -3.852 1.00 1.41 H new ATOM 0 HB2 SER A 28 11.685 4.110 -4.692 1.00 12.53 H new ATOM 0 HB3 SER A 28 12.013 4.936 -3.181 1.00 12.53 H new ATOM 0 HG SER A 28 13.428 5.626 -4.884 1.00 62.53 H new ATOM 453 N ASP A 29 13.687 1.925 -1.236 1.00 45.25 N ATOM 454 CA ASP A 29 14.304 1.832 0.102 1.00 41.21 C ATOM 455 C ASP A 29 14.177 3.115 0.918 1.00 12.21 C ATOM 456 O ASP A 29 15.087 3.947 0.978 1.00 54.01 O ATOM 457 CB ASP A 29 15.765 1.359 0.019 1.00 53.30 C ATOM 458 CG ASP A 29 16.652 2.205 -0.877 1.00 31.44 C ATOM 459 OD1 ASP A 29 16.471 2.173 -2.111 1.00 2.21 O ATOM 460 OD2 ASP A 29 17.574 2.867 -0.350 1.00 31.32 O ATOM 0 H ASP A 29 13.540 1.011 -1.665 1.00 45.25 H new ATOM 0 HA ASP A 29 13.735 1.075 0.642 1.00 41.21 H new ATOM 0 HB2 ASP A 29 16.188 1.350 1.023 1.00 53.30 H new ATOM 0 HB3 ASP A 29 15.781 0.331 -0.342 1.00 53.30 H new ATOM 465 N GLY A 30 13.016 3.265 1.534 1.00 70.23 N ATOM 466 CA GLY A 30 12.691 4.475 2.253 1.00 2.23 C ATOM 467 C GLY A 30 11.461 5.129 1.668 1.00 32.25 C ATOM 468 O GLY A 30 10.583 5.595 2.392 1.00 3.42 O ATOM 0 H GLY A 30 12.282 2.557 1.547 1.00 70.23 H new ATOM 0 HA2 GLY A 30 12.521 4.245 3.305 1.00 2.23 H new ATOM 0 HA3 GLY A 30 13.532 5.167 2.210 1.00 2.23 H new ATOM 472 N LYS A 31 11.396 5.144 0.345 1.00 3.02 N ATOM 473 CA LYS A 31 10.257 5.672 -0.378 1.00 4.52 C ATOM 474 C LYS A 31 9.485 4.537 -1.047 1.00 42.31 C ATOM 475 O LYS A 31 9.978 3.412 -1.132 1.00 5.55 O ATOM 476 CB LYS A 31 10.747 6.648 -1.444 1.00 15.21 C ATOM 477 CG LYS A 31 11.220 7.992 -0.910 1.00 0.30 C ATOM 478 CD LYS A 31 10.071 8.975 -0.764 1.00 52.24 C ATOM 479 CE LYS A 31 10.576 10.356 -0.386 1.00 32.01 C ATOM 480 NZ LYS A 31 9.498 11.379 -0.432 1.00 34.21 N ATOM 0 H LYS A 31 12.138 4.787 -0.257 1.00 3.02 H new ATOM 0 HA LYS A 31 9.597 6.185 0.321 1.00 4.52 H new ATOM 0 HB2 LYS A 31 11.565 6.183 -1.994 1.00 15.21 H new ATOM 0 HB3 LYS A 31 9.941 6.820 -2.157 1.00 15.21 H new ATOM 0 HG2 LYS A 31 11.702 7.850 0.057 1.00 0.30 H new ATOM 0 HG3 LYS A 31 11.971 8.407 -1.583 1.00 0.30 H new ATOM 0 HD2 LYS A 31 9.516 9.031 -1.700 1.00 52.24 H new ATOM 0 HD3 LYS A 31 9.377 8.617 -0.003 1.00 52.24 H new ATOM 0 HE2 LYS A 31 11.002 10.324 0.617 1.00 32.01 H new ATOM 0 HE3 LYS A 31 11.379 10.646 -1.064 1.00 32.01 H new ATOM 0 HZ1 LYS A 31 9.888 12.306 -0.167 1.00 34.21 H new ATOM 0 HZ2 LYS A 31 9.108 11.430 -1.395 1.00 34.21 H new ATOM 0 HZ3 LYS A 31 8.743 11.118 0.234 1.00 34.21 H new ATOM 494 N ALA A 32 8.286 4.844 -1.520 1.00 4.43 N ATOM 495 CA ALA A 32 7.463 3.889 -2.259 1.00 44.15 C ATOM 496 C ALA A 32 6.390 4.624 -3.051 1.00 22.40 C ATOM 497 O ALA A 32 5.792 5.575 -2.554 1.00 41.44 O ATOM 498 CB ALA A 32 6.818 2.887 -1.313 1.00 5.42 C ATOM 0 H ALA A 32 7.854 5.761 -1.404 1.00 4.43 H new ATOM 0 HA ALA A 32 8.107 3.345 -2.950 1.00 44.15 H new ATOM 0 HB1 ALA A 32 6.210 2.186 -1.885 1.00 5.42 H new ATOM 0 HB2 ALA A 32 7.594 2.341 -0.777 1.00 5.42 H new ATOM 0 HB3 ALA A 32 6.187 3.415 -0.598 1.00 5.42 H new ATOM 504 N ALA A 33 6.144 4.188 -4.275 1.00 64.52 N ATOM 505 CA ALA A 33 5.149 4.834 -5.120 1.00 30.30 C ATOM 506 C ALA A 33 3.793 4.173 -4.923 1.00 41.30 C ATOM 507 O ALA A 33 3.617 2.999 -5.252 1.00 65.03 O ATOM 508 CB ALA A 33 5.570 4.774 -6.580 1.00 50.42 C ATOM 0 H ALA A 33 6.616 3.393 -4.706 1.00 64.52 H new ATOM 0 HA ALA A 33 5.070 5.883 -4.834 1.00 30.30 H new ATOM 0 HB1 ALA A 33 4.815 5.261 -7.197 1.00 50.42 H new ATOM 0 HB2 ALA A 33 6.525 5.284 -6.705 1.00 50.42 H new ATOM 0 HB3 ALA A 33 5.672 3.733 -6.887 1.00 50.42 H new ATOM 514 N VAL A 34 2.845 4.922 -4.380 1.00 22.22 N ATOM 515 CA VAL A 34 1.524 4.386 -4.085 1.00 73.31 C ATOM 516 C VAL A 34 0.531 4.764 -5.175 1.00 42.14 C ATOM 517 O VAL A 34 0.303 5.945 -5.441 1.00 73.32 O ATOM 518 CB VAL A 34 1.001 4.893 -2.725 1.00 40.42 C ATOM 519 CG1 VAL A 34 -0.333 4.245 -2.375 1.00 54.52 C ATOM 520 CG2 VAL A 34 2.024 4.640 -1.630 1.00 13.55 C ATOM 0 H VAL A 34 2.966 5.905 -4.134 1.00 22.22 H new ATOM 0 HA VAL A 34 1.620 3.301 -4.042 1.00 73.31 H new ATOM 0 HB VAL A 34 0.841 5.968 -2.805 1.00 40.42 H new ATOM 0 HG11 VAL A 34 -0.678 4.620 -1.412 1.00 54.52 H new ATOM 0 HG12 VAL A 34 -1.068 4.487 -3.143 1.00 54.52 H new ATOM 0 HG13 VAL A 34 -0.209 3.164 -2.319 1.00 54.52 H new ATOM 0 HG21 VAL A 34 1.636 5.005 -0.679 1.00 13.55 H new ATOM 0 HG22 VAL A 34 2.221 3.570 -1.556 1.00 13.55 H new ATOM 0 HG23 VAL A 34 2.950 5.163 -1.869 1.00 13.55 H new ATOM 530 N LEU A 35 -0.047 3.758 -5.809 1.00 60.21 N ATOM 531 CA LEU A 35 -1.063 3.973 -6.821 1.00 13.53 C ATOM 532 C LEU A 35 -2.436 3.809 -6.204 1.00 24.30 C ATOM 533 O LEU A 35 -2.801 2.718 -5.758 1.00 13.31 O ATOM 534 CB LEU A 35 -0.899 2.977 -7.965 1.00 34.03 C ATOM 535 CG LEU A 35 -1.797 3.216 -9.176 1.00 62.04 C ATOM 536 CD1 LEU A 35 -1.466 4.545 -9.838 1.00 35.43 C ATOM 537 CD2 LEU A 35 -1.665 2.072 -10.166 1.00 53.23 C ATOM 0 H LEU A 35 0.174 2.777 -5.638 1.00 60.21 H new ATOM 0 HA LEU A 35 -0.953 4.983 -7.216 1.00 13.53 H new ATOM 0 HB2 LEU A 35 0.140 2.997 -8.295 1.00 34.03 H new ATOM 0 HB3 LEU A 35 -1.093 1.975 -7.582 1.00 34.03 H new ATOM 0 HG LEU A 35 -2.832 3.258 -8.836 1.00 62.04 H new ATOM 0 HD11 LEU A 35 -2.118 4.695 -10.699 1.00 35.43 H new ATOM 0 HD12 LEU A 35 -1.616 5.355 -9.124 1.00 35.43 H new ATOM 0 HD13 LEU A 35 -0.427 4.539 -10.167 1.00 35.43 H new ATOM 0 HD21 LEU A 35 -2.311 2.257 -11.024 1.00 53.23 H new ATOM 0 HD22 LEU A 35 -0.630 1.998 -10.500 1.00 53.23 H new ATOM 0 HD23 LEU A 35 -1.959 1.139 -9.685 1.00 53.23 H new ATOM 549 N PHE A 36 -3.181 4.890 -6.164 1.00 64.04 N ATOM 550 CA PHE A 36 -4.530 4.860 -5.631 1.00 64.24 C ATOM 551 C PHE A 36 -5.501 4.414 -6.707 1.00 14.33 C ATOM 552 O PHE A 36 -5.357 4.780 -7.873 1.00 51.24 O ATOM 553 CB PHE A 36 -4.946 6.229 -5.099 1.00 41.34 C ATOM 554 CG PHE A 36 -4.072 6.733 -3.983 1.00 72.11 C ATOM 555 CD1 PHE A 36 -4.264 6.293 -2.681 1.00 42.20 C ATOM 556 CD2 PHE A 36 -3.063 7.646 -4.235 1.00 55.33 C ATOM 557 CE1 PHE A 36 -3.461 6.754 -1.655 1.00 5.01 C ATOM 558 CE2 PHE A 36 -2.257 8.109 -3.212 1.00 32.03 C ATOM 559 CZ PHE A 36 -2.458 7.663 -1.921 1.00 43.12 C ATOM 0 H PHE A 36 -2.877 5.806 -6.495 1.00 64.04 H new ATOM 0 HA PHE A 36 -4.549 4.151 -4.803 1.00 64.24 H new ATOM 0 HB2 PHE A 36 -4.927 6.949 -5.917 1.00 41.34 H new ATOM 0 HB3 PHE A 36 -5.976 6.175 -4.746 1.00 41.34 H new ATOM 0 HD1 PHE A 36 -5.049 5.583 -2.467 1.00 42.20 H new ATOM 0 HD2 PHE A 36 -2.904 8.001 -5.243 1.00 55.33 H new ATOM 0 HE1 PHE A 36 -3.619 6.403 -0.646 1.00 5.01 H new ATOM 0 HE2 PHE A 36 -1.471 8.819 -3.422 1.00 32.03 H new ATOM 0 HZ PHE A 36 -1.831 8.025 -1.120 1.00 43.12 H new ATOM 569 N GLU A 37 -6.483 3.627 -6.308 1.00 62.00 N ATOM 570 CA GLU A 37 -7.453 3.080 -7.244 1.00 44.32 C ATOM 571 C GLU A 37 -8.853 3.212 -6.665 1.00 55.12 C ATOM 572 O GLU A 37 -9.175 2.592 -5.649 1.00 60.53 O ATOM 573 CB GLU A 37 -7.118 1.606 -7.535 1.00 1.02 C ATOM 574 CG GLU A 37 -7.827 1.007 -8.749 1.00 52.14 C ATOM 575 CD GLU A 37 -9.317 0.797 -8.555 1.00 72.20 C ATOM 576 OE1 GLU A 37 -9.709 -0.201 -7.917 1.00 20.31 O ATOM 577 OE2 GLU A 37 -10.104 1.623 -9.055 1.00 65.22 O ATOM 0 H GLU A 37 -6.632 3.350 -5.338 1.00 62.00 H new ATOM 0 HA GLU A 37 -7.412 3.635 -8.181 1.00 44.32 H new ATOM 0 HB2 GLU A 37 -6.042 1.516 -7.682 1.00 1.02 H new ATOM 0 HB3 GLU A 37 -7.371 1.012 -6.657 1.00 1.02 H new ATOM 0 HG2 GLU A 37 -7.672 1.662 -9.607 1.00 52.14 H new ATOM 0 HG3 GLU A 37 -7.365 0.050 -8.991 1.00 52.14 H new ATOM 584 N ASN A 38 -9.681 4.028 -7.296 1.00 63.44 N ATOM 585 CA ASN A 38 -11.055 4.191 -6.856 1.00 51.31 C ATOM 586 C ASN A 38 -11.996 4.338 -8.049 1.00 74.13 C ATOM 587 O ASN A 38 -12.371 5.450 -8.431 1.00 33.22 O ATOM 588 CB ASN A 38 -11.184 5.390 -5.911 1.00 62.31 C ATOM 589 CG ASN A 38 -12.579 5.523 -5.334 1.00 22.33 C ATOM 590 OD1 ASN A 38 -13.286 4.533 -5.151 1.00 25.22 O ATOM 591 ND2 ASN A 38 -12.974 6.746 -5.023 1.00 11.41 N ATOM 0 H ASN A 38 -9.426 4.586 -8.111 1.00 63.44 H new ATOM 0 HA ASN A 38 -11.343 3.294 -6.308 1.00 51.31 H new ATOM 0 HB2 ASN A 38 -10.466 5.287 -5.098 1.00 62.31 H new ATOM 0 HB3 ASN A 38 -10.928 6.303 -6.449 1.00 62.31 H new ATOM 0 HD21 ASN A 38 -13.897 6.896 -4.615 1.00 11.41 H new ATOM 0 HD22 ASN A 38 -12.356 7.540 -5.191 1.00 11.41 H new ATOM 598 N GLY A 39 -12.334 3.210 -8.662 1.00 64.34 N ATOM 599 CA GLY A 39 -13.310 3.202 -9.734 1.00 14.44 C ATOM 600 C GLY A 39 -12.727 3.649 -11.056 1.00 1.32 C ATOM 601 O GLY A 39 -12.020 2.894 -11.725 1.00 12.41 O ATOM 0 H GLY A 39 -11.946 2.295 -8.433 1.00 64.34 H new ATOM 0 HA2 GLY A 39 -13.717 2.197 -9.842 1.00 14.44 H new ATOM 0 HA3 GLY A 39 -14.141 3.855 -9.468 1.00 14.44 H new ATOM 605 N ASN A 40 -13.038 4.872 -11.443 1.00 31.13 N ATOM 606 CA ASN A 40 -12.523 5.441 -12.679 1.00 52.20 C ATOM 607 C ASN A 40 -11.299 6.294 -12.378 1.00 64.12 C ATOM 608 O ASN A 40 -10.503 6.616 -13.260 1.00 54.10 O ATOM 609 CB ASN A 40 -13.609 6.289 -13.344 1.00 31.32 C ATOM 610 CG ASN A 40 -13.256 6.715 -14.757 1.00 3.34 C ATOM 611 OD1 ASN A 40 -13.530 5.997 -15.717 1.00 32.04 O ATOM 612 ND2 ASN A 40 -12.676 7.894 -14.898 1.00 32.43 N ATOM 0 H ASN A 40 -13.649 5.496 -10.916 1.00 31.13 H new ATOM 0 HA ASN A 40 -12.235 4.639 -13.358 1.00 52.20 H new ATOM 0 HB2 ASN A 40 -14.540 5.723 -13.364 1.00 31.32 H new ATOM 0 HB3 ASN A 40 -13.789 7.177 -12.738 1.00 31.32 H new ATOM 0 HD21 ASN A 40 -12.439 8.238 -15.829 1.00 32.43 H new ATOM 0 HD22 ASN A 40 -12.465 8.460 -14.076 1.00 32.43 H new ATOM 619 N TRP A 41 -11.149 6.635 -11.112 1.00 31.42 N ATOM 620 CA TRP A 41 -10.089 7.523 -10.680 1.00 25.33 C ATOM 621 C TRP A 41 -8.880 6.743 -10.201 1.00 32.43 C ATOM 622 O TRP A 41 -9.005 5.705 -9.542 1.00 52.52 O ATOM 623 CB TRP A 41 -10.605 8.443 -9.573 1.00 62.10 C ATOM 624 CG TRP A 41 -9.587 9.393 -9.016 1.00 0.33 C ATOM 625 CD1 TRP A 41 -9.270 10.624 -9.506 1.00 14.24 C ATOM 626 CD2 TRP A 41 -8.768 9.201 -7.854 1.00 4.41 C ATOM 627 NE1 TRP A 41 -8.308 11.211 -8.726 1.00 63.30 N ATOM 628 CE2 TRP A 41 -7.978 10.357 -7.708 1.00 24.03 C ATOM 629 CE3 TRP A 41 -8.623 8.162 -6.929 1.00 11.54 C ATOM 630 CZ2 TRP A 41 -7.062 10.503 -6.671 1.00 53.41 C ATOM 631 CZ3 TRP A 41 -7.712 8.309 -5.903 1.00 41.12 C ATOM 632 CH2 TRP A 41 -6.941 9.473 -5.780 1.00 25.21 C ATOM 0 H TRP A 41 -11.754 6.306 -10.360 1.00 31.42 H new ATOM 0 HA TRP A 41 -9.777 8.127 -11.532 1.00 25.33 H new ATOM 0 HB2 TRP A 41 -11.444 9.020 -9.962 1.00 62.10 H new ATOM 0 HB3 TRP A 41 -10.990 7.828 -8.760 1.00 62.10 H new ATOM 0 HD1 TRP A 41 -9.713 11.073 -10.383 1.00 14.24 H new ATOM 0 HE1 TRP A 41 -7.903 12.135 -8.879 1.00 63.30 H new ATOM 0 HE3 TRP A 41 -9.213 7.262 -7.016 1.00 11.54 H new ATOM 0 HZ2 TRP A 41 -6.467 11.399 -6.573 1.00 53.41 H new ATOM 0 HZ3 TRP A 41 -7.591 7.514 -5.183 1.00 41.12 H new ATOM 0 HH2 TRP A 41 -6.237 9.558 -4.965 1.00 25.21 H new ATOM 643 N ASP A 42 -7.716 7.262 -10.538 1.00 14.40 N ATOM 644 CA ASP A 42 -6.448 6.683 -10.116 1.00 75.31 C ATOM 645 C ASP A 42 -5.386 7.768 -10.066 1.00 72.13 C ATOM 646 O ASP A 42 -5.455 8.752 -10.806 1.00 14.24 O ATOM 647 CB ASP A 42 -5.996 5.542 -11.039 1.00 34.22 C ATOM 648 CG ASP A 42 -5.639 6.005 -12.438 1.00 23.15 C ATOM 649 OD1 ASP A 42 -6.542 6.071 -13.300 1.00 25.32 O ATOM 650 OD2 ASP A 42 -4.446 6.282 -12.694 1.00 21.11 O ATOM 0 H ASP A 42 -7.618 8.099 -11.113 1.00 14.40 H new ATOM 0 HA ASP A 42 -6.590 6.256 -9.123 1.00 75.31 H new ATOM 0 HB2 ASP A 42 -5.131 5.047 -10.596 1.00 34.22 H new ATOM 0 HB3 ASP A 42 -6.791 4.799 -11.102 1.00 34.22 H new ATOM 655 N LYS A 43 -4.415 7.589 -9.190 1.00 42.11 N ATOM 656 CA LYS A 43 -3.389 8.598 -8.963 1.00 45.31 C ATOM 657 C LYS A 43 -2.147 7.960 -8.353 1.00 72.22 C ATOM 658 O LYS A 43 -2.244 7.196 -7.393 1.00 63.22 O ATOM 659 CB LYS A 43 -3.940 9.693 -8.041 1.00 14.33 C ATOM 660 CG LYS A 43 -2.957 10.811 -7.723 1.00 32.03 C ATOM 661 CD LYS A 43 -3.614 11.887 -6.869 1.00 43.32 C ATOM 662 CE LYS A 43 -2.619 12.944 -6.418 1.00 34.23 C ATOM 663 NZ LYS A 43 -3.260 13.987 -5.572 1.00 41.41 N ATOM 0 H LYS A 43 -4.312 6.750 -8.619 1.00 42.11 H new ATOM 0 HA LYS A 43 -3.109 9.046 -9.916 1.00 45.31 H new ATOM 0 HB2 LYS A 43 -4.826 10.127 -8.504 1.00 14.33 H new ATOM 0 HB3 LYS A 43 -4.262 9.234 -7.106 1.00 14.33 H new ATOM 0 HG2 LYS A 43 -2.093 10.403 -7.199 1.00 32.03 H new ATOM 0 HG3 LYS A 43 -2.589 11.251 -8.650 1.00 32.03 H new ATOM 0 HD2 LYS A 43 -4.414 12.362 -7.437 1.00 43.32 H new ATOM 0 HD3 LYS A 43 -4.073 11.425 -5.995 1.00 43.32 H new ATOM 0 HE2 LYS A 43 -1.813 12.468 -5.859 1.00 34.23 H new ATOM 0 HE3 LYS A 43 -2.167 13.413 -7.292 1.00 34.23 H new ATOM 0 HZ1 LYS A 43 -2.530 14.491 -5.030 1.00 41.41 H new ATOM 0 HZ2 LYS A 43 -3.769 14.662 -6.178 1.00 41.41 H new ATOM 0 HZ3 LYS A 43 -3.930 13.538 -4.916 1.00 41.41 H new ATOM 677 N LEU A 44 -0.990 8.266 -8.920 1.00 70.12 N ATOM 678 CA LEU A 44 0.275 7.732 -8.434 1.00 32.50 C ATOM 679 C LEU A 44 0.986 8.764 -7.565 1.00 12.12 C ATOM 680 O LEU A 44 1.441 9.798 -8.057 1.00 1.23 O ATOM 681 CB LEU A 44 1.169 7.328 -9.612 1.00 3.32 C ATOM 682 CG LEU A 44 2.517 6.714 -9.226 1.00 71.13 C ATOM 683 CD1 LEU A 44 2.318 5.392 -8.496 1.00 31.24 C ATOM 684 CD2 LEU A 44 3.381 6.518 -10.459 1.00 11.25 C ATOM 0 H LEU A 44 -0.900 8.887 -9.724 1.00 70.12 H new ATOM 0 HA LEU A 44 0.070 6.848 -7.830 1.00 32.50 H new ATOM 0 HB2 LEU A 44 0.626 6.614 -10.231 1.00 3.32 H new ATOM 0 HB3 LEU A 44 1.352 8.209 -10.228 1.00 3.32 H new ATOM 0 HG LEU A 44 3.027 7.401 -8.551 1.00 71.13 H new ATOM 0 HD11 LEU A 44 3.289 4.973 -8.231 1.00 31.24 H new ATOM 0 HD12 LEU A 44 1.736 5.561 -7.590 1.00 31.24 H new ATOM 0 HD13 LEU A 44 1.787 4.695 -9.144 1.00 31.24 H new ATOM 0 HD21 LEU A 44 4.336 6.081 -10.168 1.00 11.25 H new ATOM 0 HD22 LEU A 44 2.874 5.851 -11.156 1.00 11.25 H new ATOM 0 HD23 LEU A 44 3.554 7.481 -10.939 1.00 11.25 H new ATOM 696 N VAL A 45 1.062 8.492 -6.272 1.00 32.44 N ATOM 697 CA VAL A 45 1.737 9.391 -5.346 1.00 60.54 C ATOM 698 C VAL A 45 2.822 8.649 -4.582 1.00 64.33 C ATOM 699 O VAL A 45 2.552 7.668 -3.892 1.00 51.45 O ATOM 700 CB VAL A 45 0.761 10.027 -4.333 1.00 64.53 C ATOM 701 CG1 VAL A 45 1.482 11.048 -3.463 1.00 34.43 C ATOM 702 CG2 VAL A 45 -0.412 10.675 -5.049 1.00 40.23 C ATOM 0 H VAL A 45 0.666 7.658 -5.839 1.00 32.44 H new ATOM 0 HA VAL A 45 2.176 10.188 -5.947 1.00 60.54 H new ATOM 0 HB VAL A 45 0.375 9.236 -3.690 1.00 64.53 H new ATOM 0 HG11 VAL A 45 0.778 11.485 -2.755 1.00 34.43 H new ATOM 0 HG12 VAL A 45 2.287 10.557 -2.917 1.00 34.43 H new ATOM 0 HG13 VAL A 45 1.898 11.834 -4.093 1.00 34.43 H new ATOM 0 HG21 VAL A 45 -1.087 11.117 -4.316 1.00 40.23 H new ATOM 0 HG22 VAL A 45 -0.045 11.453 -5.719 1.00 40.23 H new ATOM 0 HG23 VAL A 45 -0.947 9.921 -5.627 1.00 40.23 H new ATOM 712 N THR A 46 4.048 9.109 -4.722 1.00 21.31 N ATOM 713 CA THR A 46 5.156 8.529 -3.995 1.00 3.34 C ATOM 714 C THR A 46 5.132 8.978 -2.538 1.00 73.40 C ATOM 715 O THR A 46 5.016 10.169 -2.238 1.00 21.25 O ATOM 716 CB THR A 46 6.496 8.944 -4.616 1.00 21.51 C ATOM 717 OG1 THR A 46 6.350 9.074 -6.039 1.00 71.54 O ATOM 718 CG2 THR A 46 7.583 7.924 -4.308 1.00 73.13 C ATOM 0 H THR A 46 4.302 9.884 -5.334 1.00 21.31 H new ATOM 0 HA THR A 46 5.053 7.445 -4.049 1.00 3.34 H new ATOM 0 HB THR A 46 6.790 9.901 -4.184 1.00 21.51 H new ATOM 0 HG1 THR A 46 7.207 9.341 -6.433 1.00 71.54 H new ATOM 0 HG21 THR A 46 8.521 8.244 -4.761 1.00 73.13 H new ATOM 0 HG22 THR A 46 7.710 7.842 -3.229 1.00 73.13 H new ATOM 0 HG23 THR A 46 7.297 6.954 -4.714 1.00 73.13 H new ATOM 726 N PHE A 47 5.236 8.018 -1.649 1.00 4.32 N ATOM 727 CA PHE A 47 5.309 8.276 -0.224 1.00 40.20 C ATOM 728 C PHE A 47 6.555 7.609 0.336 1.00 43.11 C ATOM 729 O PHE A 47 7.396 7.122 -0.417 1.00 54.34 O ATOM 730 CB PHE A 47 4.068 7.736 0.496 1.00 45.11 C ATOM 731 CG PHE A 47 2.819 8.543 0.270 1.00 1.02 C ATOM 732 CD1 PHE A 47 2.643 9.762 0.906 1.00 30.52 C ATOM 733 CD2 PHE A 47 1.817 8.077 -0.564 1.00 24.42 C ATOM 734 CE1 PHE A 47 1.493 10.502 0.712 1.00 43.15 C ATOM 735 CE2 PHE A 47 0.666 8.813 -0.763 1.00 21.13 C ATOM 736 CZ PHE A 47 0.504 10.028 -0.125 1.00 21.05 C ATOM 0 H PHE A 47 5.273 7.028 -1.893 1.00 4.32 H new ATOM 0 HA PHE A 47 5.354 9.353 -0.063 1.00 40.20 H new ATOM 0 HB2 PHE A 47 3.889 6.712 0.168 1.00 45.11 H new ATOM 0 HB3 PHE A 47 4.272 7.696 1.566 1.00 45.11 H new ATOM 0 HD1 PHE A 47 3.415 10.138 1.561 1.00 30.52 H new ATOM 0 HD2 PHE A 47 1.937 7.127 -1.064 1.00 24.42 H new ATOM 0 HE1 PHE A 47 1.368 11.450 1.215 1.00 43.15 H new ATOM 0 HE2 PHE A 47 -0.108 8.439 -1.417 1.00 21.13 H new ATOM 0 HZ PHE A 47 -0.395 10.605 -0.281 1.00 21.05 H new ATOM 746 N ARG A 48 6.675 7.593 1.646 1.00 45.30 N ATOM 747 CA ARG A 48 7.741 6.860 2.298 1.00 14.41 C ATOM 748 C ARG A 48 7.207 5.523 2.796 1.00 65.35 C ATOM 749 O ARG A 48 6.001 5.281 2.776 1.00 53.55 O ATOM 750 CB ARG A 48 8.327 7.670 3.459 1.00 73.42 C ATOM 751 CG ARG A 48 8.982 8.974 3.030 1.00 21.31 C ATOM 752 CD ARG A 48 9.396 9.818 4.227 1.00 74.11 C ATOM 753 NE ARG A 48 8.248 10.189 5.051 1.00 72.14 N ATOM 754 CZ ARG A 48 8.015 11.422 5.504 1.00 63.31 C ATOM 755 NH1 ARG A 48 8.873 12.404 5.263 1.00 32.53 N ATOM 756 NH2 ARG A 48 6.921 11.670 6.211 1.00 14.52 N ATOM 0 H ARG A 48 6.046 8.081 2.283 1.00 45.30 H new ATOM 0 HA ARG A 48 8.540 6.682 1.578 1.00 14.41 H new ATOM 0 HB2 ARG A 48 7.533 7.891 4.173 1.00 73.42 H new ATOM 0 HB3 ARG A 48 9.064 7.059 3.981 1.00 73.42 H new ATOM 0 HG2 ARG A 48 9.857 8.757 2.418 1.00 21.31 H new ATOM 0 HG3 ARG A 48 8.290 9.541 2.407 1.00 21.31 H new ATOM 0 HD2 ARG A 48 10.114 9.264 4.832 1.00 74.11 H new ATOM 0 HD3 ARG A 48 9.901 10.719 3.879 1.00 74.11 H new ATOM 0 HE ARG A 48 7.581 9.457 5.296 1.00 72.14 H new ATOM 0 HH11 ARG A 48 9.721 12.220 4.727 1.00 32.53 H new ATOM 0 HH12 ARG A 48 8.685 13.343 5.614 1.00 32.53 H new ATOM 0 HH21 ARG A 48 6.260 10.919 6.408 1.00 14.52 H new ATOM 0 HH22 ARG A 48 6.741 12.612 6.558 1.00 14.52 H new ATOM 770 N LEU A 49 8.100 4.669 3.248 1.00 33.34 N ATOM 771 CA LEU A 49 7.726 3.340 3.715 1.00 32.24 C ATOM 772 C LEU A 49 7.105 3.430 5.094 1.00 34.42 C ATOM 773 O LEU A 49 6.225 2.648 5.444 1.00 64.22 O ATOM 774 CB LEU A 49 8.935 2.404 3.753 1.00 21.32 C ATOM 775 CG LEU A 49 9.526 2.031 2.392 1.00 12.42 C ATOM 776 CD1 LEU A 49 10.709 1.095 2.570 1.00 45.34 C ATOM 777 CD2 LEU A 49 8.473 1.379 1.510 1.00 42.23 C ATOM 0 H LEU A 49 9.099 4.868 3.304 1.00 33.34 H new ATOM 0 HA LEU A 49 6.999 2.930 3.014 1.00 32.24 H new ATOM 0 HB2 LEU A 49 9.716 2.873 4.352 1.00 21.32 H new ATOM 0 HB3 LEU A 49 8.646 1.487 4.267 1.00 21.32 H new ATOM 0 HG LEU A 49 9.868 2.944 1.906 1.00 12.42 H new ATOM 0 HD11 LEU A 49 11.120 0.838 1.594 1.00 45.34 H new ATOM 0 HD12 LEU A 49 11.476 1.587 3.168 1.00 45.34 H new ATOM 0 HD13 LEU A 49 10.382 0.187 3.076 1.00 45.34 H new ATOM 0 HD21 LEU A 49 8.914 1.122 0.547 1.00 42.23 H new ATOM 0 HD22 LEU A 49 8.103 0.475 1.993 1.00 42.23 H new ATOM 0 HD23 LEU A 49 7.646 2.073 1.357 1.00 42.23 H new ATOM 789 N SER A 50 7.551 4.412 5.862 1.00 14.40 N ATOM 790 CA SER A 50 7.019 4.640 7.190 1.00 34.41 C ATOM 791 C SER A 50 5.606 5.205 7.105 1.00 45.42 C ATOM 792 O SER A 50 4.879 5.242 8.095 1.00 32.43 O ATOM 793 CB SER A 50 7.934 5.596 7.954 1.00 43.11 C ATOM 794 OG SER A 50 8.292 6.707 7.144 1.00 31.25 O ATOM 0 H SER A 50 8.284 5.065 5.584 1.00 14.40 H new ATOM 0 HA SER A 50 6.975 3.691 7.724 1.00 34.41 H new ATOM 0 HB2 SER A 50 7.431 5.945 8.856 1.00 43.11 H new ATOM 0 HB3 SER A 50 8.833 5.069 8.274 1.00 43.11 H new ATOM 0 HG SER A 50 7.484 7.099 6.750 1.00 31.25 H new ATOM 800 N GLU A 51 5.217 5.632 5.907 1.00 33.11 N ATOM 801 CA GLU A 51 3.895 6.229 5.721 1.00 63.04 C ATOM 802 C GLU A 51 2.849 5.152 5.450 1.00 34.14 C ATOM 803 O GLU A 51 1.645 5.405 5.531 1.00 23.52 O ATOM 804 CB GLU A 51 3.890 7.214 4.549 1.00 11.41 C ATOM 805 CG GLU A 51 5.143 8.063 4.430 1.00 71.52 C ATOM 806 CD GLU A 51 5.492 8.811 5.694 1.00 62.24 C ATOM 807 OE1 GLU A 51 4.865 9.844 5.968 1.00 4.45 O ATOM 808 OE2 GLU A 51 6.432 8.387 6.395 1.00 35.23 O ATOM 0 H GLU A 51 5.786 5.578 5.062 1.00 33.11 H new ATOM 0 HA GLU A 51 3.652 6.760 6.641 1.00 63.04 H new ATOM 0 HB2 GLU A 51 3.757 6.655 3.623 1.00 11.41 H new ATOM 0 HB3 GLU A 51 3.028 7.874 4.650 1.00 11.41 H new ATOM 0 HG2 GLU A 51 5.981 7.422 4.155 1.00 71.52 H new ATOM 0 HG3 GLU A 51 5.010 8.779 3.619 1.00 71.52 H new ATOM 815 N LEU A 52 3.312 3.952 5.129 1.00 70.01 N ATOM 816 CA LEU A 52 2.436 2.917 4.616 1.00 22.35 C ATOM 817 C LEU A 52 2.246 1.776 5.604 1.00 23.53 C ATOM 818 O LEU A 52 3.209 1.238 6.153 1.00 72.23 O ATOM 819 CB LEU A 52 3.010 2.374 3.311 1.00 12.35 C ATOM 820 CG LEU A 52 3.246 3.422 2.224 1.00 32.11 C ATOM 821 CD1 LEU A 52 3.851 2.778 0.988 1.00 4.54 C ATOM 822 CD2 LEU A 52 1.949 4.135 1.877 1.00 1.45 C ATOM 0 H LEU A 52 4.290 3.675 5.216 1.00 70.01 H new ATOM 0 HA LEU A 52 1.457 3.366 4.447 1.00 22.35 H new ATOM 0 HB2 LEU A 52 3.956 1.877 3.527 1.00 12.35 H new ATOM 0 HB3 LEU A 52 2.332 1.615 2.921 1.00 12.35 H new ATOM 0 HG LEU A 52 3.950 4.162 2.606 1.00 32.11 H new ATOM 0 HD11 LEU A 52 4.013 3.538 0.224 1.00 4.54 H new ATOM 0 HD12 LEU A 52 4.804 2.316 1.248 1.00 4.54 H new ATOM 0 HD13 LEU A 52 3.171 2.017 0.605 1.00 4.54 H new ATOM 0 HD21 LEU A 52 2.138 4.877 1.101 1.00 1.45 H new ATOM 0 HD22 LEU A 52 1.220 3.409 1.515 1.00 1.45 H new ATOM 0 HD23 LEU A 52 1.557 4.630 2.765 1.00 1.45 H new ATOM 834 N GLU A 53 0.992 1.419 5.822 1.00 52.21 N ATOM 835 CA GLU A 53 0.645 0.252 6.612 1.00 1.10 C ATOM 836 C GLU A 53 0.075 -0.817 5.695 1.00 22.01 C ATOM 837 O GLU A 53 -0.961 -0.608 5.063 1.00 22.41 O ATOM 838 CB GLU A 53 -0.382 0.615 7.689 1.00 54.11 C ATOM 839 CG GLU A 53 -0.811 -0.551 8.568 1.00 51.34 C ATOM 840 CD GLU A 53 0.324 -1.090 9.408 1.00 32.53 C ATOM 841 OE1 GLU A 53 0.682 -0.449 10.413 1.00 35.40 O ATOM 842 OE2 GLU A 53 0.859 -2.169 9.077 1.00 75.31 O ATOM 0 H GLU A 53 0.188 1.929 5.457 1.00 52.21 H new ATOM 0 HA GLU A 53 1.541 -0.123 7.106 1.00 1.10 H new ATOM 0 HB2 GLU A 53 0.036 1.397 8.323 1.00 54.11 H new ATOM 0 HB3 GLU A 53 -1.265 1.034 7.206 1.00 54.11 H new ATOM 0 HG2 GLU A 53 -1.622 -0.230 9.222 1.00 51.34 H new ATOM 0 HG3 GLU A 53 -1.205 -1.350 7.940 1.00 51.34 H new ATOM 849 N ALA A 54 0.766 -1.940 5.595 1.00 72.11 N ATOM 850 CA ALA A 54 0.298 -3.053 4.783 1.00 60.14 C ATOM 851 C ALA A 54 -1.061 -3.539 5.276 1.00 61.13 C ATOM 852 O ALA A 54 -1.261 -3.746 6.475 1.00 34.30 O ATOM 853 CB ALA A 54 1.311 -4.188 4.806 1.00 61.42 C ATOM 0 H ALA A 54 1.655 -2.106 6.067 1.00 72.11 H new ATOM 0 HA ALA A 54 0.187 -2.709 3.755 1.00 60.14 H new ATOM 0 HB1 ALA A 54 0.947 -5.013 4.194 1.00 61.42 H new ATOM 0 HB2 ALA A 54 2.263 -3.834 4.409 1.00 61.42 H new ATOM 0 HB3 ALA A 54 1.450 -4.531 5.831 1.00 61.42 H new ATOM 859 N VAL A 55 -1.993 -3.700 4.353 1.00 14.31 N ATOM 860 CA VAL A 55 -3.320 -4.184 4.692 1.00 72.12 C ATOM 861 C VAL A 55 -3.281 -5.704 4.831 1.00 24.54 C ATOM 862 O VAL A 55 -2.258 -6.332 4.546 1.00 3.11 O ATOM 863 CB VAL A 55 -4.363 -3.787 3.619 1.00 70.32 C ATOM 864 CG1 VAL A 55 -5.780 -3.863 4.173 1.00 4.53 C ATOM 865 CG2 VAL A 55 -4.075 -2.397 3.068 1.00 44.42 C ATOM 0 H VAL A 55 -1.855 -3.502 3.362 1.00 14.31 H new ATOM 0 HA VAL A 55 -3.619 -3.726 5.635 1.00 72.12 H new ATOM 0 HB VAL A 55 -4.284 -4.502 2.800 1.00 70.32 H new ATOM 0 HG11 VAL A 55 -6.490 -3.579 3.396 1.00 4.53 H new ATOM 0 HG12 VAL A 55 -5.989 -4.882 4.500 1.00 4.53 H new ATOM 0 HG13 VAL A 55 -5.877 -3.183 5.020 1.00 4.53 H new ATOM 0 HG21 VAL A 55 -4.822 -2.142 2.316 1.00 44.42 H new ATOM 0 HG22 VAL A 55 -4.113 -1.669 3.879 1.00 44.42 H new ATOM 0 HG23 VAL A 55 -3.084 -2.384 2.614 1.00 44.42 H new