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 -32:sc= 1.36 USER MOD Set 1.2: A 43 LYS NZ :NH3+ 178:sc= 1.25 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.213 K(o=-0.21,f=-7.1!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.2) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0563 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) 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 USER MOD Single : A 50 SER OG : rot 57:sc= 1.33 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 9.480 -3.809 2.192 1.00 34.44 N ATOM 21 CA ILE A 2 8.171 -3.780 1.553 1.00 53.34 C ATOM 22 C ILE A 2 8.308 -4.191 0.088 1.00 14.44 C ATOM 23 O ILE A 2 9.330 -3.920 -0.546 1.00 11.22 O ATOM 24 CB ILE A 2 7.522 -2.376 1.657 1.00 44.34 C ATOM 25 CG1 ILE A 2 7.426 -1.946 3.128 1.00 51.03 C ATOM 26 CG2 ILE A 2 6.143 -2.359 1.008 1.00 12.05 C ATOM 27 CD1 ILE A 2 6.760 -0.599 3.339 1.00 24.53 C ATOM 0 HA ILE A 2 7.520 -4.485 2.071 1.00 53.34 H new ATOM 0 HB ILE A 2 8.154 -1.668 1.121 1.00 44.34 H new ATOM 0 HG12 ILE A 2 6.871 -2.704 3.681 1.00 51.03 H new ATOM 0 HG13 ILE A 2 8.430 -1.913 3.552 1.00 51.03 H new ATOM 0 HG21 ILE A 2 5.712 -1.362 1.096 1.00 12.05 H new ATOM 0 HG22 ILE A 2 6.233 -2.624 -0.046 1.00 12.05 H new ATOM 0 HG23 ILE A 2 5.496 -3.079 1.509 1.00 12.05 H new ATOM 0 HD11 ILE A 2 6.732 -0.370 4.404 1.00 24.53 H new ATOM 0 HD12 ILE A 2 7.326 0.172 2.816 1.00 24.53 H new ATOM 0 HD13 ILE A 2 5.743 -0.631 2.948 1.00 24.53 H new ATOM 39 N PHE A 3 7.291 -4.859 -0.439 1.00 42.54 N ATOM 40 CA PHE A 3 7.340 -5.388 -1.795 1.00 43.41 C ATOM 41 C PHE A 3 6.325 -4.690 -2.696 1.00 32.35 C ATOM 42 O PHE A 3 5.253 -4.284 -2.241 1.00 24.14 O ATOM 43 CB PHE A 3 7.063 -6.895 -1.784 1.00 23.25 C ATOM 44 CG PHE A 3 8.010 -7.682 -0.922 1.00 14.14 C ATOM 45 CD1 PHE A 3 9.254 -8.058 -1.403 1.00 43.12 C ATOM 46 CD2 PHE A 3 7.652 -8.051 0.366 1.00 44.54 C ATOM 47 CE1 PHE A 3 10.123 -8.787 -0.614 1.00 10.34 C ATOM 48 CE2 PHE A 3 8.518 -8.778 1.160 1.00 43.31 C ATOM 49 CZ PHE A 3 9.756 -9.147 0.669 1.00 12.31 C ATOM 0 H PHE A 3 6.419 -5.048 0.054 1.00 42.54 H new ATOM 0 HA PHE A 3 8.339 -5.203 -2.190 1.00 43.41 H new ATOM 0 HB2 PHE A 3 6.044 -7.065 -1.436 1.00 23.25 H new ATOM 0 HB3 PHE A 3 7.118 -7.272 -2.805 1.00 23.25 H new ATOM 0 HD1 PHE A 3 9.547 -7.779 -2.404 1.00 43.12 H new ATOM 0 HD2 PHE A 3 6.685 -7.767 0.753 1.00 44.54 H new ATOM 0 HE1 PHE A 3 11.089 -9.076 -1.000 1.00 10.34 H new ATOM 0 HE2 PHE A 3 8.228 -9.057 2.162 1.00 43.31 H new ATOM 0 HZ PHE A 3 10.435 -9.716 1.287 1.00 12.31 H new ATOM 59 N PRO A 4 6.656 -4.535 -3.986 1.00 64.20 N ATOM 60 CA PRO A 4 5.732 -3.986 -4.980 1.00 31.55 C ATOM 61 C PRO A 4 4.579 -4.945 -5.259 1.00 33.34 C ATOM 62 O PRO A 4 4.722 -6.162 -5.115 1.00 23.23 O ATOM 63 CB PRO A 4 6.595 -3.809 -6.238 1.00 52.50 C ATOM 64 CG PRO A 4 8.006 -3.978 -5.782 1.00 51.20 C ATOM 65 CD PRO A 4 7.950 -4.878 -4.583 1.00 4.34 C ATOM 0 HA PRO A 4 5.274 -3.056 -4.642 1.00 31.55 H new ATOM 0 HB2 PRO A 4 6.337 -4.547 -6.998 1.00 52.50 H new ATOM 0 HB3 PRO A 4 6.442 -2.826 -6.684 1.00 52.50 H new ATOM 0 HG2 PRO A 4 8.620 -4.415 -6.569 1.00 51.20 H new ATOM 0 HG3 PRO A 4 8.451 -3.016 -5.527 1.00 51.20 H new ATOM 0 HD2 PRO A 4 8.001 -5.930 -4.863 1.00 4.34 H new ATOM 0 HD3 PRO A 4 8.776 -4.691 -3.896 1.00 4.34 H new ATOM 73 N GLY A 5 3.435 -4.397 -5.642 1.00 21.31 N ATOM 74 CA GLY A 5 2.271 -5.218 -5.911 1.00 14.45 C ATOM 75 C GLY A 5 1.509 -5.553 -4.647 1.00 32.41 C ATOM 76 O GLY A 5 0.513 -6.278 -4.687 1.00 50.31 O ATOM 0 H GLY A 5 3.291 -3.396 -5.772 1.00 21.31 H new ATOM 0 HA2 GLY A 5 1.612 -4.696 -6.604 1.00 14.45 H new ATOM 0 HA3 GLY A 5 2.583 -6.140 -6.401 1.00 14.45 H new ATOM 80 N ALA A 6 1.976 -5.017 -3.526 1.00 74.33 N ATOM 81 CA ALA A 6 1.332 -5.241 -2.243 1.00 22.21 C ATOM 82 C ALA A 6 0.499 -4.030 -1.846 1.00 64.15 C ATOM 83 O ALA A 6 0.783 -2.902 -2.265 1.00 60.42 O ATOM 84 CB ALA A 6 2.368 -5.550 -1.169 1.00 54.43 C ATOM 0 H ALA A 6 2.803 -4.421 -3.483 1.00 74.33 H new ATOM 0 HA ALA A 6 0.669 -6.101 -2.338 1.00 22.21 H new ATOM 0 HB1 ALA A 6 1.866 -5.715 -0.216 1.00 54.43 H new ATOM 0 HB2 ALA A 6 2.923 -6.446 -1.446 1.00 54.43 H new ATOM 0 HB3 ALA A 6 3.057 -4.711 -1.076 1.00 54.43 H new ATOM 90 N THR A 7 -0.529 -4.270 -1.052 1.00 54.14 N ATOM 91 CA THR A 7 -1.406 -3.210 -0.598 1.00 41.24 C ATOM 92 C THR A 7 -0.892 -2.608 0.705 1.00 72.21 C ATOM 93 O THR A 7 -0.577 -3.325 1.656 1.00 0.11 O ATOM 94 CB THR A 7 -2.834 -3.740 -0.382 1.00 21.11 C ATOM 95 OG1 THR A 7 -3.221 -4.557 -1.494 1.00 22.43 O ATOM 96 CG2 THR A 7 -3.827 -2.597 -0.227 1.00 43.12 C ATOM 0 H THR A 7 -0.777 -5.197 -0.707 1.00 54.14 H new ATOM 0 HA THR A 7 -1.422 -2.440 -1.369 1.00 41.24 H new ATOM 0 HB THR A 7 -2.840 -4.331 0.534 1.00 21.11 H new ATOM 0 HG1 THR A 7 -4.130 -4.894 -1.352 1.00 22.43 H new ATOM 0 HG21 THR A 7 -4.828 -3.002 -0.076 1.00 43.12 H new ATOM 0 HG22 THR A 7 -3.549 -1.987 0.633 1.00 43.12 H new ATOM 0 HG23 THR A 7 -3.817 -1.982 -1.127 1.00 43.12 H new ATOM 104 N VAL A 8 -0.799 -1.291 0.735 1.00 72.43 N ATOM 105 CA VAL A 8 -0.362 -0.574 1.921 1.00 21.13 C ATOM 106 C VAL A 8 -1.409 0.453 2.324 1.00 65.13 C ATOM 107 O VAL A 8 -2.235 0.864 1.506 1.00 45.51 O ATOM 108 CB VAL A 8 0.990 0.138 1.703 1.00 52.45 C ATOM 109 CG1 VAL A 8 2.115 -0.877 1.560 1.00 32.54 C ATOM 110 CG2 VAL A 8 0.930 1.046 0.482 1.00 4.54 C ATOM 0 H VAL A 8 -1.023 -0.690 -0.058 1.00 72.43 H new ATOM 0 HA VAL A 8 -0.232 -1.311 2.714 1.00 21.13 H new ATOM 0 HB VAL A 8 1.194 0.755 2.578 1.00 52.45 H new ATOM 0 HG11 VAL A 8 3.059 -0.354 1.407 1.00 32.54 H new ATOM 0 HG12 VAL A 8 2.177 -1.481 2.465 1.00 32.54 H new ATOM 0 HG13 VAL A 8 1.915 -1.523 0.705 1.00 32.54 H new ATOM 0 HG21 VAL A 8 1.893 1.538 0.347 1.00 4.54 H new ATOM 0 HG22 VAL A 8 0.699 0.452 -0.402 1.00 4.54 H new ATOM 0 HG23 VAL A 8 0.155 1.799 0.626 1.00 4.54 H new ATOM 120 N ARG A 9 -1.379 0.858 3.580 1.00 25.34 N ATOM 121 CA ARG A 9 -2.326 1.839 4.081 1.00 21.13 C ATOM 122 C ARG A 9 -1.582 3.080 4.563 1.00 22.14 C ATOM 123 O ARG A 9 -0.652 2.988 5.369 1.00 51.32 O ATOM 124 CB ARG A 9 -3.166 1.217 5.197 1.00 73.45 C ATOM 125 CG ARG A 9 -4.232 2.132 5.771 1.00 74.15 C ATOM 126 CD ARG A 9 -5.169 1.358 6.682 1.00 33.35 C ATOM 127 NE ARG A 9 -6.055 2.231 7.447 1.00 44.43 N ATOM 128 CZ ARG A 9 -7.304 1.914 7.782 1.00 51.40 C ATOM 129 NH1 ARG A 9 -7.841 0.771 7.365 1.00 53.02 N ATOM 130 NH2 ARG A 9 -8.017 2.742 8.537 1.00 12.44 N ATOM 0 H ARG A 9 -0.709 0.523 4.273 1.00 25.34 H new ATOM 0 HA ARG A 9 -3.000 2.145 3.281 1.00 21.13 H new ATOM 0 HB2 ARG A 9 -3.647 0.317 4.813 1.00 73.45 H new ATOM 0 HB3 ARG A 9 -2.502 0.905 6.003 1.00 73.45 H new ATOM 0 HG2 ARG A 9 -3.762 2.942 6.328 1.00 74.15 H new ATOM 0 HG3 ARG A 9 -4.800 2.590 4.961 1.00 74.15 H new ATOM 0 HD2 ARG A 9 -5.769 0.673 6.083 1.00 33.35 H new ATOM 0 HD3 ARG A 9 -4.581 0.750 7.370 1.00 33.35 H new ATOM 0 HE ARG A 9 -5.695 3.139 7.743 1.00 44.43 H new ATOM 0 HH11 ARG A 9 -7.296 0.133 6.786 1.00 53.02 H new ATOM 0 HH12 ARG A 9 -8.798 0.533 7.624 1.00 53.02 H new ATOM 0 HH21 ARG A 9 -7.608 3.619 8.859 1.00 12.44 H new ATOM 0 HH22 ARG A 9 -8.974 2.501 8.795 1.00 12.44 H new ATOM 144 N VAL A 10 -1.983 4.233 4.051 1.00 22.34 N ATOM 145 CA VAL A 10 -1.293 5.484 4.338 1.00 3.51 C ATOM 146 C VAL A 10 -1.557 5.936 5.771 1.00 14.54 C ATOM 147 O VAL A 10 -2.692 6.248 6.141 1.00 52.42 O ATOM 148 CB VAL A 10 -1.721 6.600 3.361 1.00 75.15 C ATOM 149 CG1 VAL A 10 -0.913 7.867 3.600 1.00 62.04 C ATOM 150 CG2 VAL A 10 -1.578 6.135 1.920 1.00 44.33 C ATOM 0 H VAL A 10 -2.787 4.330 3.431 1.00 22.34 H new ATOM 0 HA VAL A 10 -0.226 5.298 4.212 1.00 3.51 H new ATOM 0 HB VAL A 10 -2.771 6.828 3.544 1.00 75.15 H new ATOM 0 HG11 VAL A 10 -1.232 8.639 2.900 1.00 62.04 H new ATOM 0 HG12 VAL A 10 -1.073 8.214 4.621 1.00 62.04 H new ATOM 0 HG13 VAL A 10 0.146 7.657 3.450 1.00 62.04 H new ATOM 0 HG21 VAL A 10 -1.885 6.936 1.247 1.00 44.33 H new ATOM 0 HG22 VAL A 10 -0.538 5.874 1.723 1.00 44.33 H new ATOM 0 HG23 VAL A 10 -2.209 5.261 1.755 1.00 44.33 H new ATOM 160 N THR A 11 -0.501 5.965 6.571 1.00 25.00 N ATOM 161 CA THR A 11 -0.601 6.370 7.964 1.00 63.25 C ATOM 162 C THR A 11 -0.140 7.820 8.138 1.00 53.55 C ATOM 163 O THR A 11 -0.206 8.377 9.232 1.00 64.12 O ATOM 164 CB THR A 11 0.254 5.454 8.864 1.00 3.23 C ATOM 165 OG1 THR A 11 0.140 4.094 8.419 1.00 25.52 O ATOM 166 CG2 THR A 11 -0.182 5.543 10.322 1.00 63.31 C ATOM 0 H THR A 11 0.441 5.711 6.275 1.00 25.00 H new ATOM 0 HA THR A 11 -1.647 6.286 8.259 1.00 63.25 H new ATOM 0 HB THR A 11 1.290 5.787 8.793 1.00 3.23 H new ATOM 0 HG1 THR A 11 0.686 3.516 8.992 1.00 25.52 H new ATOM 0 HG21 THR A 11 0.441 4.886 10.929 1.00 63.31 H new ATOM 0 HG22 THR A 11 -0.074 6.570 10.672 1.00 63.31 H new ATOM 0 HG23 THR A 11 -1.225 5.238 10.409 1.00 63.31 H new ATOM 174 N ASN A 12 0.330 8.421 7.051 1.00 12.44 N ATOM 175 CA ASN A 12 0.803 9.801 7.095 1.00 1.14 C ATOM 176 C ASN A 12 -0.353 10.739 7.417 1.00 1.14 C ATOM 177 O ASN A 12 -1.283 10.889 6.628 1.00 45.35 O ATOM 178 CB ASN A 12 1.452 10.194 5.767 1.00 61.43 C ATOM 179 CG ASN A 12 2.038 11.596 5.800 1.00 63.23 C ATOM 180 OD1 ASN A 12 1.370 12.569 5.450 1.00 54.02 O ATOM 181 ND2 ASN A 12 3.286 11.712 6.231 1.00 62.52 N ATOM 0 H ASN A 12 0.394 7.979 6.134 1.00 12.44 H new ATOM 0 HA ASN A 12 1.555 9.884 7.879 1.00 1.14 H new ATOM 0 HB2 ASN A 12 2.239 9.480 5.525 1.00 61.43 H new ATOM 0 HB3 ASN A 12 0.710 10.132 4.971 1.00 61.43 H new ATOM 0 HD21 ASN A 12 3.725 12.631 6.281 1.00 62.52 H new ATOM 0 HD22 ASN A 12 3.808 10.882 6.512 1.00 62.52 H new ATOM 188 N VAL A 13 -0.279 11.361 8.585 1.00 60.05 N ATOM 189 CA VAL A 13 -1.371 12.179 9.106 1.00 0.12 C ATOM 190 C VAL A 13 -1.412 13.554 8.436 1.00 42.11 C ATOM 191 O VAL A 13 -2.397 14.285 8.543 1.00 63.15 O ATOM 192 CB VAL A 13 -1.233 12.357 10.635 1.00 61.03 C ATOM 193 CG1 VAL A 13 -2.483 12.974 11.242 1.00 72.41 C ATOM 194 CG2 VAL A 13 -0.920 11.027 11.302 1.00 72.05 C ATOM 0 H VAL A 13 0.535 11.315 9.198 1.00 60.05 H new ATOM 0 HA VAL A 13 -2.302 11.658 8.882 1.00 0.12 H new ATOM 0 HB VAL A 13 -0.405 13.043 10.813 1.00 61.03 H new ATOM 0 HG11 VAL A 13 -2.349 13.084 12.318 1.00 72.41 H new ATOM 0 HG12 VAL A 13 -2.659 13.953 10.796 1.00 72.41 H new ATOM 0 HG13 VAL A 13 -3.339 12.328 11.047 1.00 72.41 H new ATOM 0 HG21 VAL A 13 -0.827 11.173 12.378 1.00 72.05 H new ATOM 0 HG22 VAL A 13 -1.725 10.320 11.100 1.00 72.05 H new ATOM 0 HG23 VAL A 13 0.016 10.633 10.907 1.00 72.05 H new ATOM 204 N ASP A 14 -0.346 13.901 7.735 1.00 52.33 N ATOM 205 CA ASP A 14 -0.245 15.217 7.117 1.00 44.55 C ATOM 206 C ASP A 14 -1.091 15.320 5.854 1.00 44.21 C ATOM 207 O ASP A 14 -1.853 16.272 5.685 1.00 74.25 O ATOM 208 CB ASP A 14 1.211 15.550 6.785 1.00 1.41 C ATOM 209 CG ASP A 14 1.334 16.781 5.907 1.00 40.41 C ATOM 210 OD1 ASP A 14 0.860 17.863 6.316 1.00 63.43 O ATOM 211 OD2 ASP A 14 1.913 16.672 4.803 1.00 13.03 O ATOM 0 H ASP A 14 0.459 13.295 7.579 1.00 52.33 H new ATOM 0 HA ASP A 14 -0.626 15.937 7.842 1.00 44.55 H new ATOM 0 HB2 ASP A 14 1.765 15.709 7.710 1.00 1.41 H new ATOM 0 HB3 ASP A 14 1.670 14.700 6.281 1.00 1.41 H new ATOM 216 N ASP A 15 -0.959 14.342 4.974 1.00 35.32 N ATOM 217 CA ASP A 15 -1.625 14.403 3.681 1.00 52.34 C ATOM 218 C ASP A 15 -3.091 14.003 3.803 1.00 33.40 C ATOM 219 O ASP A 15 -3.498 13.370 4.778 1.00 54.21 O ATOM 220 CB ASP A 15 -0.917 13.512 2.656 1.00 71.33 C ATOM 221 CG ASP A 15 -1.357 13.809 1.232 1.00 32.23 C ATOM 222 OD1 ASP A 15 -2.403 13.277 0.802 1.00 61.35 O ATOM 223 OD2 ASP A 15 -0.667 14.600 0.548 1.00 30.31 O ATOM 0 H ASP A 15 -0.402 13.502 5.128 1.00 35.32 H new ATOM 0 HA ASP A 15 -1.576 15.435 3.333 1.00 52.34 H new ATOM 0 HB2 ASP A 15 0.161 13.653 2.738 1.00 71.33 H new ATOM 0 HB3 ASP A 15 -1.120 12.466 2.886 1.00 71.33 H new ATOM 228 N THR A 16 -3.870 14.381 2.802 1.00 32.41 N ATOM 229 CA THR A 16 -5.281 14.088 2.741 1.00 33.43 C ATOM 230 C THR A 16 -5.567 12.590 2.680 1.00 52.23 C ATOM 231 O THR A 16 -6.594 12.127 3.176 1.00 63.22 O ATOM 232 CB THR A 16 -5.867 14.759 1.498 1.00 64.02 C ATOM 233 OG1 THR A 16 -4.868 14.814 0.465 1.00 34.43 O ATOM 234 CG2 THR A 16 -6.373 16.160 1.808 1.00 14.04 C ATOM 0 H THR A 16 -3.528 14.908 1.999 1.00 32.41 H new ATOM 0 HA THR A 16 -5.740 14.470 3.653 1.00 33.43 H new ATOM 0 HB THR A 16 -6.716 14.166 1.158 1.00 64.02 H new ATOM 0 HG1 THR A 16 -5.245 15.243 -0.332 1.00 34.43 H new ATOM 0 HG21 THR A 16 -6.783 16.608 0.902 1.00 14.04 H new ATOM 0 HG22 THR A 16 -7.151 16.106 2.570 1.00 14.04 H new ATOM 0 HG23 THR A 16 -5.549 16.772 2.174 1.00 14.04 H new ATOM 242 N TYR A 17 -4.652 11.832 2.084 1.00 21.42 N ATOM 243 CA TYR A 17 -4.859 10.401 1.881 1.00 43.44 C ATOM 244 C TYR A 17 -4.551 9.587 3.137 1.00 62.02 C ATOM 245 O TYR A 17 -4.254 8.395 3.062 1.00 72.41 O ATOM 246 CB TYR A 17 -4.026 9.908 0.696 1.00 73.04 C ATOM 247 CG TYR A 17 -4.530 10.421 -0.634 1.00 51.54 C ATOM 248 CD1 TYR A 17 -5.614 9.821 -1.259 1.00 72.21 C ATOM 249 CD2 TYR A 17 -3.929 11.505 -1.261 1.00 35.14 C ATOM 250 CE1 TYR A 17 -6.088 10.288 -2.470 1.00 73.42 C ATOM 251 CE2 TYR A 17 -4.396 11.977 -2.474 1.00 35.12 C ATOM 252 CZ TYR A 17 -5.476 11.365 -3.074 1.00 51.21 C ATOM 253 OH TYR A 17 -5.951 11.836 -4.278 1.00 55.12 O ATOM 0 H TYR A 17 -3.761 12.183 1.733 1.00 21.42 H new ATOM 0 HA TYR A 17 -5.916 10.252 1.659 1.00 43.44 H new ATOM 0 HB2 TYR A 17 -2.991 10.221 0.831 1.00 73.04 H new ATOM 0 HB3 TYR A 17 -4.030 8.818 0.684 1.00 73.04 H new ATOM 0 HD1 TYR A 17 -6.095 8.975 -0.791 1.00 72.21 H new ATOM 0 HD2 TYR A 17 -3.083 11.987 -0.794 1.00 35.14 H new ATOM 0 HE1 TYR A 17 -6.935 9.811 -2.941 1.00 73.42 H new ATOM 0 HE2 TYR A 17 -3.917 12.821 -2.949 1.00 35.12 H new ATOM 0 HH TYR A 17 -6.316 11.091 -4.800 1.00 55.12 H new ATOM 263 N TYR A 18 -4.656 10.229 4.287 1.00 64.31 N ATOM 264 CA TYR A 18 -4.549 9.540 5.564 1.00 73.34 C ATOM 265 C TYR A 18 -5.713 8.563 5.724 1.00 45.34 C ATOM 266 O TYR A 18 -6.873 8.944 5.554 1.00 23.41 O ATOM 267 CB TYR A 18 -4.534 10.566 6.707 1.00 34.24 C ATOM 268 CG TYR A 18 -4.635 9.964 8.093 1.00 23.03 C ATOM 269 CD1 TYR A 18 -3.623 9.162 8.607 1.00 41.14 C ATOM 270 CD2 TYR A 18 -5.752 10.198 8.884 1.00 51.41 C ATOM 271 CE1 TYR A 18 -3.723 8.611 9.870 1.00 74.22 C ATOM 272 CE2 TYR A 18 -5.860 9.647 10.145 1.00 60.14 C ATOM 273 CZ TYR A 18 -4.843 8.855 10.634 1.00 64.13 C ATOM 274 OH TYR A 18 -4.950 8.299 11.889 1.00 21.04 O ATOM 0 H TYR A 18 -4.816 11.233 4.364 1.00 64.31 H new ATOM 0 HA TYR A 18 -3.618 8.974 5.597 1.00 73.34 H new ATOM 0 HB2 TYR A 18 -3.615 11.148 6.644 1.00 34.24 H new ATOM 0 HB3 TYR A 18 -5.362 11.261 6.565 1.00 34.24 H new ATOM 0 HD1 TYR A 18 -2.745 8.966 8.010 1.00 41.14 H new ATOM 0 HD2 TYR A 18 -6.549 10.821 8.506 1.00 51.41 H new ATOM 0 HE1 TYR A 18 -2.927 7.992 10.256 1.00 74.22 H new ATOM 0 HE2 TYR A 18 -6.737 9.836 10.746 1.00 60.14 H new ATOM 0 HH TYR A 18 -5.799 8.570 12.296 1.00 21.04 H new ATOM 284 N ARG A 19 -5.384 7.308 6.034 1.00 54.03 N ATOM 285 CA ARG A 19 -6.370 6.232 6.191 1.00 53.10 C ATOM 286 C ARG A 19 -6.913 5.757 4.846 1.00 62.50 C ATOM 287 O ARG A 19 -8.035 5.262 4.766 1.00 24.51 O ATOM 288 CB ARG A 19 -7.535 6.641 7.102 1.00 2.21 C ATOM 289 CG ARG A 19 -7.147 6.795 8.560 1.00 11.13 C ATOM 290 CD ARG A 19 -8.358 7.032 9.444 1.00 30.33 C ATOM 291 NE ARG A 19 -9.069 8.259 9.095 1.00 1.24 N ATOM 292 CZ ARG A 19 -9.728 9.009 9.974 1.00 30.35 C ATOM 293 NH1 ARG A 19 -9.712 8.702 11.262 1.00 31.12 N ATOM 294 NH2 ARG A 19 -10.383 10.083 9.564 1.00 70.43 N ATOM 0 H ARG A 19 -4.422 7.006 6.184 1.00 54.03 H new ATOM 0 HA ARG A 19 -5.838 5.406 6.664 1.00 53.10 H new ATOM 0 HB2 ARG A 19 -7.950 7.583 6.745 1.00 2.21 H new ATOM 0 HB3 ARG A 19 -8.325 5.894 7.023 1.00 2.21 H new ATOM 0 HG2 ARG A 19 -6.624 5.899 8.893 1.00 11.13 H new ATOM 0 HG3 ARG A 19 -6.452 7.628 8.665 1.00 11.13 H new ATOM 0 HD2 ARG A 19 -9.038 6.184 9.359 1.00 30.33 H new ATOM 0 HD3 ARG A 19 -8.040 7.083 10.485 1.00 30.33 H new ATOM 0 HE ARG A 19 -9.060 8.558 8.120 1.00 1.24 H new ATOM 0 HH11 ARG A 19 -9.192 7.886 11.585 1.00 31.12 H new ATOM 0 HH12 ARG A 19 -10.219 9.281 11.931 1.00 31.12 H new ATOM 0 HH21 ARG A 19 -10.382 10.335 8.575 1.00 70.43 H new ATOM 0 HH22 ARG A 19 -10.889 10.659 10.236 1.00 70.43 H new ATOM 308 N PHE A 20 -6.121 5.904 3.798 1.00 55.01 N ATOM 309 CA PHE A 20 -6.466 5.340 2.505 1.00 62.12 C ATOM 310 C PHE A 20 -5.560 4.157 2.196 1.00 55.14 C ATOM 311 O PHE A 20 -4.430 4.086 2.686 1.00 23.21 O ATOM 312 CB PHE A 20 -6.333 6.386 1.400 1.00 1.42 C ATOM 313 CG PHE A 20 -7.429 7.420 1.378 1.00 42.14 C ATOM 314 CD1 PHE A 20 -7.603 8.301 2.432 1.00 73.50 C ATOM 315 CD2 PHE A 20 -8.277 7.517 0.286 1.00 61.51 C ATOM 316 CE1 PHE A 20 -8.600 9.256 2.402 1.00 3.34 C ATOM 317 CE2 PHE A 20 -9.277 8.469 0.251 1.00 72.33 C ATOM 318 CZ PHE A 20 -9.439 9.340 1.310 1.00 22.42 C ATOM 0 H PHE A 20 -5.235 6.409 3.817 1.00 55.01 H new ATOM 0 HA PHE A 20 -7.503 5.007 2.546 1.00 62.12 H new ATOM 0 HB2 PHE A 20 -5.375 6.894 1.512 1.00 1.42 H new ATOM 0 HB3 PHE A 20 -6.313 5.877 0.437 1.00 1.42 H new ATOM 0 HD1 PHE A 20 -6.950 8.240 3.290 1.00 73.50 H new ATOM 0 HD2 PHE A 20 -8.154 6.841 -0.547 1.00 61.51 H new ATOM 0 HE1 PHE A 20 -8.723 9.936 3.232 1.00 3.34 H new ATOM 0 HE2 PHE A 20 -9.932 8.532 -0.605 1.00 72.33 H new ATOM 0 HZ PHE A 20 -10.220 10.085 1.284 1.00 22.42 H new ATOM 328 N GLU A 21 -6.061 3.233 1.395 1.00 34.11 N ATOM 329 CA GLU A 21 -5.273 2.084 0.966 1.00 2.00 C ATOM 330 C GLU A 21 -4.801 2.295 -0.466 1.00 34.02 C ATOM 331 O GLU A 21 -5.537 2.836 -1.294 1.00 73.42 O ATOM 332 CB GLU A 21 -6.071 0.772 1.053 1.00 73.13 C ATOM 333 CG GLU A 21 -6.466 0.349 2.463 1.00 65.10 C ATOM 334 CD GLU A 21 -7.666 1.100 2.999 1.00 50.34 C ATOM 335 OE1 GLU A 21 -8.750 1.023 2.374 1.00 73.12 O ATOM 336 OE2 GLU A 21 -7.545 1.752 4.050 1.00 53.34 O ATOM 0 H GLU A 21 -7.012 3.254 1.026 1.00 34.11 H new ATOM 0 HA GLU A 21 -4.419 2.000 1.638 1.00 2.00 H new ATOM 0 HB2 GLU A 21 -6.976 0.875 0.454 1.00 73.13 H new ATOM 0 HB3 GLU A 21 -5.480 -0.026 0.603 1.00 73.13 H new ATOM 0 HG2 GLU A 21 -6.683 -0.719 2.467 1.00 65.10 H new ATOM 0 HG3 GLU A 21 -5.620 0.505 3.132 1.00 65.10 H new ATOM 343 N GLY A 22 -3.583 1.870 -0.754 1.00 71.35 N ATOM 344 CA GLY A 22 -3.042 2.025 -2.087 1.00 62.44 C ATOM 345 C GLY A 22 -2.167 0.856 -2.485 1.00 73.25 C ATOM 346 O GLY A 22 -1.831 0.013 -1.649 1.00 32.43 O ATOM 0 H GLY A 22 -2.957 1.419 -0.087 1.00 71.35 H new ATOM 0 HA2 GLY A 22 -3.860 2.125 -2.801 1.00 62.44 H new ATOM 0 HA3 GLY A 22 -2.461 2.946 -2.137 1.00 62.44 H new ATOM 350 N LEU A 23 -1.793 0.805 -3.755 1.00 24.21 N ATOM 351 CA LEU A 23 -0.984 -0.289 -4.267 1.00 22.00 C ATOM 352 C LEU A 23 0.426 0.195 -4.597 1.00 72.45 C ATOM 353 O LEU A 23 0.602 1.126 -5.383 1.00 15.42 O ATOM 354 CB LEU A 23 -1.641 -0.883 -5.517 1.00 34.34 C ATOM 355 CG LEU A 23 -0.993 -2.160 -6.050 1.00 41.33 C ATOM 356 CD1 LEU A 23 -1.127 -3.279 -5.034 1.00 73.32 C ATOM 357 CD2 LEU A 23 -1.622 -2.567 -7.372 1.00 63.45 C ATOM 0 H LEU A 23 -2.038 1.510 -4.450 1.00 24.21 H new ATOM 0 HA LEU A 23 -0.914 -1.059 -3.499 1.00 22.00 H new ATOM 0 HB2 LEU A 23 -2.687 -1.092 -5.293 1.00 34.34 H new ATOM 0 HB3 LEU A 23 -1.628 -0.132 -6.306 1.00 34.34 H new ATOM 0 HG LEU A 23 0.066 -1.966 -6.220 1.00 41.33 H new ATOM 0 HD11 LEU A 23 -0.661 -4.184 -5.425 1.00 73.32 H new ATOM 0 HD12 LEU A 23 -0.634 -2.989 -4.106 1.00 73.32 H new ATOM 0 HD13 LEU A 23 -2.182 -3.469 -4.839 1.00 73.32 H new ATOM 0 HD21 LEU A 23 -1.147 -3.478 -7.736 1.00 63.45 H new ATOM 0 HD22 LEU A 23 -2.688 -2.745 -7.228 1.00 63.45 H new ATOM 0 HD23 LEU A 23 -1.483 -1.770 -8.102 1.00 63.45 H new ATOM 369 N VAL A 24 1.425 -0.432 -3.990 1.00 60.51 N ATOM 370 CA VAL A 24 2.816 -0.082 -4.253 1.00 2.03 C ATOM 371 C VAL A 24 3.206 -0.474 -5.672 1.00 32.21 C ATOM 372 O VAL A 24 3.219 -1.655 -6.015 1.00 34.55 O ATOM 373 CB VAL A 24 3.775 -0.771 -3.261 1.00 55.00 C ATOM 374 CG1 VAL A 24 5.212 -0.345 -3.523 1.00 13.12 C ATOM 375 CG2 VAL A 24 3.377 -0.464 -1.824 1.00 43.44 C ATOM 0 H VAL A 24 1.299 -1.185 -3.313 1.00 60.51 H new ATOM 0 HA VAL A 24 2.903 0.997 -4.129 1.00 2.03 H new ATOM 0 HB VAL A 24 3.704 -1.848 -3.410 1.00 55.00 H new ATOM 0 HG11 VAL A 24 5.874 -0.841 -2.813 1.00 13.12 H new ATOM 0 HG12 VAL A 24 5.495 -0.623 -4.538 1.00 13.12 H new ATOM 0 HG13 VAL A 24 5.298 0.735 -3.405 1.00 13.12 H new ATOM 0 HG21 VAL A 24 4.067 -0.960 -1.141 1.00 43.44 H new ATOM 0 HG22 VAL A 24 3.414 0.613 -1.658 1.00 43.44 H new ATOM 0 HG23 VAL A 24 2.365 -0.824 -1.642 1.00 43.44 H new ATOM 385 N GLN A 25 3.518 0.521 -6.493 1.00 73.53 N ATOM 386 CA GLN A 25 3.910 0.267 -7.876 1.00 42.34 C ATOM 387 C GLN A 25 5.376 -0.126 -7.949 1.00 62.12 C ATOM 388 O GLN A 25 5.777 -0.931 -8.786 1.00 72.10 O ATOM 389 CB GLN A 25 3.651 1.497 -8.745 1.00 75.30 C ATOM 390 CG GLN A 25 2.175 1.776 -8.989 1.00 40.11 C ATOM 391 CD GLN A 25 1.483 0.669 -9.764 1.00 51.32 C ATOM 392 OE1 GLN A 25 1.449 0.687 -10.995 1.00 34.25 O ATOM 393 NE2 GLN A 25 0.919 -0.296 -9.054 1.00 73.35 N ATOM 0 H GLN A 25 3.508 1.506 -6.229 1.00 73.53 H new ATOM 0 HA GLN A 25 3.307 -0.558 -8.255 1.00 42.34 H new ATOM 0 HB2 GLN A 25 4.102 2.368 -8.270 1.00 75.30 H new ATOM 0 HB3 GLN A 25 4.150 1.364 -9.705 1.00 75.30 H new ATOM 0 HG2 GLN A 25 1.673 1.910 -8.031 1.00 40.11 H new ATOM 0 HG3 GLN A 25 2.073 2.713 -9.536 1.00 40.11 H new ATOM 0 HE21 GLN A 25 0.969 -0.275 -8.035 1.00 73.35 H new ATOM 0 HE22 GLN A 25 0.435 -1.060 -9.526 1.00 73.35 H new ATOM 402 N ARG A 26 6.163 0.443 -7.051 1.00 32.24 N ATOM 403 CA ARG A 26 7.575 0.135 -6.950 1.00 20.43 C ATOM 404 C ARG A 26 8.115 0.748 -5.671 1.00 21.12 C ATOM 405 O ARG A 26 7.676 1.823 -5.249 1.00 71.41 O ATOM 406 CB ARG A 26 8.374 0.636 -8.171 1.00 55.34 C ATOM 407 CG ARG A 26 8.687 2.129 -8.180 1.00 22.41 C ATOM 408 CD ARG A 26 7.464 2.981 -8.471 1.00 13.13 C ATOM 409 NE ARG A 26 6.936 2.761 -9.816 1.00 24.43 N ATOM 410 CZ ARG A 26 6.455 3.732 -10.592 1.00 55.23 C ATOM 411 NH1 ARG A 26 6.480 4.996 -10.177 1.00 73.44 N ATOM 412 NH2 ARG A 26 5.966 3.436 -11.787 1.00 43.14 N ATOM 0 H ARG A 26 5.838 1.132 -6.372 1.00 32.24 H new ATOM 0 HA ARG A 26 7.691 -0.949 -6.929 1.00 20.43 H new ATOM 0 HB2 ARG A 26 9.313 0.085 -8.220 1.00 55.34 H new ATOM 0 HB3 ARG A 26 7.814 0.394 -9.074 1.00 55.34 H new ATOM 0 HG2 ARG A 26 9.103 2.415 -7.214 1.00 22.41 H new ATOM 0 HG3 ARG A 26 9.453 2.331 -8.929 1.00 22.41 H new ATOM 0 HD2 ARG A 26 6.688 2.759 -7.739 1.00 13.13 H new ATOM 0 HD3 ARG A 26 7.722 4.033 -8.353 1.00 13.13 H new ATOM 0 HE ARG A 26 6.936 1.809 -10.182 1.00 24.43 H new ATOM 0 HH11 ARG A 26 6.868 5.225 -9.262 1.00 73.44 H new ATOM 0 HH12 ARG A 26 6.111 5.736 -10.774 1.00 73.44 H new ATOM 0 HH21 ARG A 26 5.959 2.468 -12.110 1.00 43.14 H new ATOM 0 HH22 ARG A 26 5.597 4.176 -12.384 1.00 43.14 H new ATOM 426 N VAL A 27 9.028 0.045 -5.045 1.00 35.22 N ATOM 427 CA VAL A 27 9.621 0.490 -3.798 1.00 31.31 C ATOM 428 C VAL A 27 10.975 1.136 -4.057 1.00 63.01 C ATOM 429 O VAL A 27 11.782 0.624 -4.836 1.00 62.11 O ATOM 430 CB VAL A 27 9.792 -0.680 -2.803 1.00 35.11 C ATOM 431 CG1 VAL A 27 10.249 -0.177 -1.441 1.00 43.24 C ATOM 432 CG2 VAL A 27 8.498 -1.471 -2.676 1.00 55.41 C ATOM 0 H VAL A 27 9.383 -0.850 -5.381 1.00 35.22 H new ATOM 0 HA VAL A 27 8.944 1.222 -3.357 1.00 31.31 H new ATOM 0 HB VAL A 27 10.564 -1.343 -3.194 1.00 35.11 H new ATOM 0 HG11 VAL A 27 10.361 -1.021 -0.760 1.00 43.24 H new ATOM 0 HG12 VAL A 27 11.205 0.335 -1.545 1.00 43.24 H new ATOM 0 HG13 VAL A 27 9.508 0.515 -1.041 1.00 43.24 H new ATOM 0 HG21 VAL A 27 8.640 -2.290 -1.971 1.00 55.41 H new ATOM 0 HG22 VAL A 27 7.705 -0.816 -2.316 1.00 55.41 H new ATOM 0 HG23 VAL A 27 8.221 -1.875 -3.650 1.00 55.41 H new ATOM 442 N SER A 28 11.207 2.263 -3.412 1.00 20.42 N ATOM 443 CA SER A 28 12.465 2.971 -3.525 1.00 71.43 C ATOM 444 C SER A 28 13.269 2.747 -2.247 1.00 43.34 C ATOM 445 O SER A 28 12.837 2.005 -1.362 1.00 73.35 O ATOM 446 CB SER A 28 12.201 4.466 -3.755 1.00 1.24 C ATOM 447 OG SER A 28 13.367 5.151 -4.188 1.00 23.30 O ATOM 0 H SER A 28 10.529 2.712 -2.796 1.00 20.42 H new ATOM 0 HA SER A 28 13.036 2.596 -4.375 1.00 71.43 H new ATOM 0 HB2 SER A 28 11.413 4.585 -4.499 1.00 1.24 H new ATOM 0 HB3 SER A 28 11.838 4.916 -2.831 1.00 1.24 H new ATOM 0 HG SER A 28 13.158 6.099 -4.325 1.00 23.30 H new ATOM 453 N ASP A 29 14.421 3.385 -2.138 1.00 62.41 N ATOM 454 CA ASP A 29 15.273 3.206 -0.978 1.00 31.44 C ATOM 455 C ASP A 29 14.798 4.095 0.161 1.00 1.21 C ATOM 456 O ASP A 29 15.342 5.173 0.406 1.00 5.44 O ATOM 457 CB ASP A 29 16.731 3.501 -1.314 1.00 2.34 C ATOM 458 CG ASP A 29 17.689 2.799 -0.371 1.00 10.15 C ATOM 459 OD1 ASP A 29 18.083 1.651 -0.671 1.00 2.01 O ATOM 460 OD2 ASP A 29 18.052 3.382 0.669 1.00 71.21 O ATOM 0 H ASP A 29 14.787 4.030 -2.838 1.00 62.41 H new ATOM 0 HA ASP A 29 15.208 2.164 -0.664 1.00 31.44 H new ATOM 0 HB2 ASP A 29 16.937 3.188 -2.338 1.00 2.34 H new ATOM 0 HB3 ASP A 29 16.902 4.577 -1.269 1.00 2.34 H new ATOM 465 N GLY A 30 13.737 3.651 0.812 1.00 63.25 N ATOM 466 CA GLY A 30 13.160 4.398 1.914 1.00 71.25 C ATOM 467 C GLY A 30 11.863 5.071 1.520 1.00 51.14 C ATOM 468 O GLY A 30 11.245 5.782 2.316 1.00 64.34 O ATOM 0 H GLY A 30 13.258 2.777 0.596 1.00 63.25 H new ATOM 0 HA2 GLY A 30 12.980 3.726 2.754 1.00 71.25 H new ATOM 0 HA3 GLY A 30 13.871 5.151 2.254 1.00 71.25 H new ATOM 472 N LYS A 31 11.441 4.822 0.293 1.00 30.23 N ATOM 473 CA LYS A 31 10.256 5.450 -0.257 1.00 44.24 C ATOM 474 C LYS A 31 9.502 4.427 -1.105 1.00 13.24 C ATOM 475 O LYS A 31 10.001 3.328 -1.322 1.00 65.15 O ATOM 476 CB LYS A 31 10.685 6.652 -1.100 1.00 50.13 C ATOM 477 CG LYS A 31 9.642 7.750 -1.220 1.00 13.14 C ATOM 478 CD LYS A 31 10.228 9.019 -1.822 1.00 32.13 C ATOM 479 CE LYS A 31 11.282 9.639 -0.912 1.00 61.01 C ATOM 480 NZ LYS A 31 11.846 10.893 -1.481 1.00 41.13 N ATOM 0 H LYS A 31 11.909 4.181 -0.347 1.00 30.23 H new ATOM 0 HA LYS A 31 9.595 5.797 0.538 1.00 44.24 H new ATOM 0 HB2 LYS A 31 11.591 7.076 -0.668 1.00 50.13 H new ATOM 0 HB3 LYS A 31 10.942 6.303 -2.100 1.00 50.13 H new ATOM 0 HG2 LYS A 31 8.816 7.401 -1.840 1.00 13.14 H new ATOM 0 HG3 LYS A 31 9.231 7.971 -0.235 1.00 13.14 H new ATOM 0 HD2 LYS A 31 10.672 8.791 -2.791 1.00 32.13 H new ATOM 0 HD3 LYS A 31 9.430 9.740 -1.999 1.00 32.13 H new ATOM 0 HE2 LYS A 31 10.840 9.850 0.062 1.00 61.01 H new ATOM 0 HE3 LYS A 31 12.086 8.922 -0.749 1.00 61.01 H new ATOM 0 HZ1 LYS A 31 12.558 11.280 -0.830 1.00 41.13 H new ATOM 0 HZ2 LYS A 31 12.291 10.689 -2.399 1.00 41.13 H new ATOM 0 HZ3 LYS A 31 11.084 11.588 -1.613 1.00 41.13 H new ATOM 494 N ALA A 32 8.314 4.780 -1.572 1.00 44.54 N ATOM 495 CA ALA A 32 7.509 3.883 -2.400 1.00 53.53 C ATOM 496 C ALA A 32 6.390 4.647 -3.100 1.00 12.43 C ATOM 497 O ALA A 32 5.812 5.570 -2.528 1.00 24.35 O ATOM 498 CB ALA A 32 6.924 2.761 -1.556 1.00 33.55 C ATOM 0 H ALA A 32 7.881 5.686 -1.393 1.00 44.54 H new ATOM 0 HA ALA A 32 8.160 3.451 -3.160 1.00 53.53 H new ATOM 0 HB1 ALA A 32 6.328 2.103 -2.188 1.00 33.55 H new ATOM 0 HB2 ALA A 32 7.732 2.190 -1.099 1.00 33.55 H new ATOM 0 HB3 ALA A 32 6.292 3.184 -0.775 1.00 33.55 H new ATOM 504 N ALA A 33 6.079 4.259 -4.332 1.00 4.34 N ATOM 505 CA ALA A 33 5.038 4.934 -5.096 1.00 72.14 C ATOM 506 C ALA A 33 3.710 4.216 -4.925 1.00 14.15 C ATOM 507 O ALA A 33 3.580 3.039 -5.269 1.00 61.24 O ATOM 508 CB ALA A 33 5.414 5.018 -6.568 1.00 35.33 C ATOM 0 H ALA A 33 6.530 3.485 -4.820 1.00 4.34 H new ATOM 0 HA ALA A 33 4.937 5.950 -4.715 1.00 72.14 H new ATOM 0 HB1 ALA A 33 4.621 5.526 -7.118 1.00 35.33 H new ATOM 0 HB2 ALA A 33 6.344 5.576 -6.675 1.00 35.33 H new ATOM 0 HB3 ALA A 33 5.546 4.013 -6.968 1.00 35.33 H new ATOM 514 N VAL A 34 2.733 4.925 -4.384 1.00 12.24 N ATOM 515 CA VAL A 34 1.438 4.346 -4.083 1.00 5.11 C ATOM 516 C VAL A 34 0.415 4.712 -5.149 1.00 33.50 C ATOM 517 O VAL A 34 0.206 5.889 -5.449 1.00 53.51 O ATOM 518 CB VAL A 34 0.926 4.834 -2.712 1.00 44.31 C ATOM 519 CG1 VAL A 34 -0.370 4.140 -2.334 1.00 45.54 C ATOM 520 CG2 VAL A 34 1.984 4.620 -1.646 1.00 21.35 C ATOM 0 H VAL A 34 2.816 5.913 -4.143 1.00 12.24 H new ATOM 0 HA VAL A 34 1.564 3.263 -4.061 1.00 5.11 H new ATOM 0 HB VAL A 34 0.721 5.902 -2.786 1.00 44.31 H new ATOM 0 HG11 VAL A 34 -0.708 4.503 -1.363 1.00 45.54 H new ATOM 0 HG12 VAL A 34 -1.130 4.354 -3.086 1.00 45.54 H new ATOM 0 HG13 VAL A 34 -0.204 3.064 -2.281 1.00 45.54 H new ATOM 0 HG21 VAL A 34 1.608 4.969 -0.685 1.00 21.35 H new ATOM 0 HG22 VAL A 34 2.223 3.559 -1.578 1.00 21.35 H new ATOM 0 HG23 VAL A 34 2.883 5.178 -1.908 1.00 21.35 H new ATOM 530 N LEU A 35 -0.206 3.703 -5.729 1.00 32.03 N ATOM 531 CA LEU A 35 -1.244 3.920 -6.717 1.00 62.25 C ATOM 532 C LEU A 35 -2.613 3.851 -6.066 1.00 60.35 C ATOM 533 O LEU A 35 -2.967 2.844 -5.448 1.00 4.54 O ATOM 534 CB LEU A 35 -1.159 2.872 -7.821 1.00 40.15 C ATOM 535 CG LEU A 35 -2.082 3.104 -9.013 1.00 34.10 C ATOM 536 CD1 LEU A 35 -1.683 4.362 -9.768 1.00 62.13 C ATOM 537 CD2 LEU A 35 -2.074 1.896 -9.933 1.00 45.15 C ATOM 0 H LEU A 35 -0.009 2.722 -5.532 1.00 32.03 H new ATOM 0 HA LEU A 35 -1.098 4.909 -7.150 1.00 62.25 H new ATOM 0 HB2 LEU A 35 -0.131 2.830 -8.181 1.00 40.15 H new ATOM 0 HB3 LEU A 35 -1.386 1.896 -7.391 1.00 40.15 H new ATOM 0 HG LEU A 35 -3.097 3.244 -8.640 1.00 34.10 H new ATOM 0 HD11 LEU A 35 -2.355 4.507 -10.614 1.00 62.13 H new ATOM 0 HD12 LEU A 35 -1.747 5.222 -9.102 1.00 62.13 H new ATOM 0 HD13 LEU A 35 -0.660 4.260 -10.131 1.00 62.13 H new ATOM 0 HD21 LEU A 35 -2.738 2.078 -10.778 1.00 45.15 H new ATOM 0 HD22 LEU A 35 -1.061 1.723 -10.297 1.00 45.15 H new ATOM 0 HD23 LEU A 35 -2.417 1.019 -9.385 1.00 45.15 H new ATOM 549 N PHE A 36 -3.362 4.927 -6.189 1.00 14.52 N ATOM 550 CA PHE A 36 -4.742 4.949 -5.742 1.00 14.54 C ATOM 551 C PHE A 36 -5.642 4.674 -6.932 1.00 0.20 C ATOM 552 O PHE A 36 -5.422 5.208 -8.020 1.00 74.54 O ATOM 553 CB PHE A 36 -5.099 6.292 -5.106 1.00 51.52 C ATOM 554 CG PHE A 36 -4.214 6.661 -3.946 1.00 62.13 C ATOM 555 CD1 PHE A 36 -4.431 6.113 -2.690 1.00 12.42 C ATOM 556 CD2 PHE A 36 -3.161 7.549 -4.113 1.00 12.51 C ATOM 557 CE1 PHE A 36 -3.617 6.446 -1.624 1.00 53.35 C ATOM 558 CE2 PHE A 36 -2.344 7.883 -3.048 1.00 72.01 C ATOM 559 CZ PHE A 36 -2.572 7.331 -1.804 1.00 42.21 C ATOM 0 H PHE A 36 -3.037 5.804 -6.597 1.00 14.52 H new ATOM 0 HA PHE A 36 -4.882 4.181 -4.981 1.00 14.54 H new ATOM 0 HB2 PHE A 36 -5.035 7.072 -5.864 1.00 51.52 H new ATOM 0 HB3 PHE A 36 -6.135 6.261 -4.767 1.00 51.52 H new ATOM 0 HD1 PHE A 36 -5.245 5.419 -2.544 1.00 12.42 H new ATOM 0 HD2 PHE A 36 -2.977 7.984 -5.084 1.00 12.51 H new ATOM 0 HE1 PHE A 36 -3.798 6.014 -0.651 1.00 53.35 H new ATOM 0 HE2 PHE A 36 -1.528 8.576 -3.190 1.00 72.01 H new ATOM 0 HZ PHE A 36 -1.934 7.591 -0.972 1.00 42.21 H new ATOM 569 N GLU A 37 -6.647 3.850 -6.726 1.00 41.12 N ATOM 570 CA GLU A 37 -7.469 3.372 -7.822 1.00 1.02 C ATOM 571 C GLU A 37 -8.920 3.301 -7.384 1.00 54.14 C ATOM 572 O GLU A 37 -9.273 2.519 -6.498 1.00 33.24 O ATOM 573 CB GLU A 37 -6.959 1.995 -8.275 1.00 63.21 C ATOM 574 CG GLU A 37 -7.486 1.523 -9.623 1.00 43.31 C ATOM 575 CD GLU A 37 -8.911 1.011 -9.571 1.00 54.21 C ATOM 576 OE1 GLU A 37 -9.111 -0.147 -9.151 1.00 2.41 O ATOM 577 OE2 GLU A 37 -9.830 1.752 -9.970 1.00 64.31 O ATOM 0 H GLU A 37 -6.917 3.495 -5.808 1.00 41.12 H new ATOM 0 HA GLU A 37 -7.404 4.061 -8.664 1.00 1.02 H new ATOM 0 HB2 GLU A 37 -5.870 2.024 -8.318 1.00 63.21 H new ATOM 0 HB3 GLU A 37 -7.229 1.258 -7.519 1.00 63.21 H new ATOM 0 HG2 GLU A 37 -7.430 2.347 -10.334 1.00 43.31 H new ATOM 0 HG3 GLU A 37 -6.838 0.732 -10.000 1.00 43.31 H new ATOM 584 N ASN A 38 -9.754 4.127 -7.994 1.00 51.02 N ATOM 585 CA ASN A 38 -11.162 4.179 -7.644 1.00 53.31 C ATOM 586 C ASN A 38 -12.036 4.257 -8.890 1.00 60.20 C ATOM 587 O ASN A 38 -12.315 5.342 -9.409 1.00 52.52 O ATOM 588 CB ASN A 38 -11.435 5.367 -6.713 1.00 50.20 C ATOM 589 CG ASN A 38 -12.901 5.503 -6.342 1.00 52.12 C ATOM 590 OD1 ASN A 38 -13.631 6.304 -6.927 1.00 42.11 O ATOM 591 ND2 ASN A 38 -13.344 4.713 -5.377 1.00 52.34 N ATOM 0 H ASN A 38 -9.479 4.771 -8.735 1.00 51.02 H new ATOM 0 HA ASN A 38 -11.416 3.259 -7.118 1.00 53.31 H new ATOM 0 HB2 ASN A 38 -10.845 5.253 -5.804 1.00 50.20 H new ATOM 0 HB3 ASN A 38 -11.101 6.285 -7.197 1.00 50.20 H new ATOM 0 HD21 ASN A 38 -14.323 4.754 -5.093 1.00 52.34 H new ATOM 0 HD22 ASN A 38 -12.707 4.063 -4.917 1.00 52.34 H new ATOM 598 N GLY A 39 -12.422 3.090 -9.390 1.00 54.11 N ATOM 599 CA GLY A 39 -13.331 3.014 -10.515 1.00 62.03 C ATOM 600 C GLY A 39 -12.686 3.427 -11.820 1.00 0.32 C ATOM 601 O GLY A 39 -12.110 2.599 -12.528 1.00 21.44 O ATOM 0 H GLY A 39 -12.117 2.185 -9.031 1.00 54.11 H new ATOM 0 HA2 GLY A 39 -13.704 1.994 -10.606 1.00 62.03 H new ATOM 0 HA3 GLY A 39 -14.193 3.653 -10.323 1.00 62.03 H new ATOM 605 N ASN A 40 -12.781 4.708 -12.139 1.00 0.25 N ATOM 606 CA ASN A 40 -12.228 5.229 -13.379 1.00 62.01 C ATOM 607 C ASN A 40 -11.094 6.205 -13.074 1.00 75.21 C ATOM 608 O ASN A 40 -10.276 6.528 -13.938 1.00 12.35 O ATOM 609 CB ASN A 40 -13.334 5.918 -14.188 1.00 23.42 C ATOM 610 CG ASN A 40 -12.999 6.049 -15.660 1.00 42.24 C ATOM 611 OD1 ASN A 40 -12.477 7.071 -16.110 1.00 71.00 O ATOM 612 ND2 ASN A 40 -13.307 5.013 -16.423 1.00 50.52 N ATOM 0 H ASN A 40 -13.237 5.408 -11.554 1.00 0.25 H new ATOM 0 HA ASN A 40 -11.824 4.407 -13.970 1.00 62.01 H new ATOM 0 HB2 ASN A 40 -14.260 5.353 -14.081 1.00 23.42 H new ATOM 0 HB3 ASN A 40 -13.516 6.909 -13.773 1.00 23.42 H new ATOM 0 HD21 ASN A 40 -13.113 5.041 -17.424 1.00 50.52 H new ATOM 0 HD22 ASN A 40 -13.738 4.186 -16.010 1.00 50.52 H new ATOM 619 N TRP A 41 -11.041 6.654 -11.825 1.00 54.23 N ATOM 620 CA TRP A 41 -10.029 7.602 -11.389 1.00 2.01 C ATOM 621 C TRP A 41 -8.840 6.876 -10.780 1.00 22.33 C ATOM 622 O TRP A 41 -8.994 5.849 -10.111 1.00 55.24 O ATOM 623 CB TRP A 41 -10.625 8.586 -10.377 1.00 41.40 C ATOM 624 CG TRP A 41 -9.610 9.453 -9.686 1.00 41.44 C ATOM 625 CD1 TRP A 41 -9.095 10.636 -10.136 1.00 11.01 C ATOM 626 CD2 TRP A 41 -8.998 9.209 -8.410 1.00 72.33 C ATOM 627 NE1 TRP A 41 -8.196 11.134 -9.223 1.00 3.04 N ATOM 628 CE2 TRP A 41 -8.123 10.279 -8.156 1.00 44.22 C ATOM 629 CE3 TRP A 41 -9.108 8.189 -7.458 1.00 4.43 C ATOM 630 CZ2 TRP A 41 -7.358 10.357 -6.996 1.00 25.23 C ATOM 631 CZ3 TRP A 41 -8.347 8.268 -6.307 1.00 23.51 C ATOM 632 CH2 TRP A 41 -7.485 9.347 -6.083 1.00 31.33 C ATOM 0 H TRP A 41 -11.694 6.372 -11.093 1.00 54.23 H new ATOM 0 HA TRP A 41 -9.682 8.159 -12.259 1.00 2.01 H new ATOM 0 HB2 TRP A 41 -11.343 9.226 -10.890 1.00 41.40 H new ATOM 0 HB3 TRP A 41 -11.179 8.024 -9.624 1.00 41.40 H new ATOM 0 HD1 TRP A 41 -9.356 11.110 -11.071 1.00 11.01 H new ATOM 0 HE1 TRP A 41 -7.668 12.001 -9.324 1.00 3.04 H new ATOM 0 HE3 TRP A 41 -9.775 7.355 -7.620 1.00 4.43 H new ATOM 0 HZ2 TRP A 41 -6.688 11.186 -6.823 1.00 25.23 H new ATOM 0 HZ3 TRP A 41 -8.419 7.484 -5.568 1.00 23.51 H new ATOM 0 HH2 TRP A 41 -6.908 9.383 -5.171 1.00 31.33 H new ATOM 643 N ASP A 42 -7.662 7.420 -11.020 1.00 11.32 N ATOM 644 CA ASP A 42 -6.431 6.870 -10.467 1.00 21.12 C ATOM 645 C ASP A 42 -5.434 7.984 -10.210 1.00 10.34 C ATOM 646 O ASP A 42 -5.529 9.064 -10.798 1.00 71.52 O ATOM 647 CB ASP A 42 -5.808 5.828 -11.408 1.00 15.14 C ATOM 648 CG ASP A 42 -5.159 6.443 -12.637 1.00 72.23 C ATOM 649 OD1 ASP A 42 -5.892 6.882 -13.549 1.00 0.52 O ATOM 650 OD2 ASP A 42 -3.910 6.469 -12.707 1.00 43.44 O ATOM 0 H ASP A 42 -7.528 8.249 -11.599 1.00 11.32 H new ATOM 0 HA ASP A 42 -6.680 6.375 -9.528 1.00 21.12 H new ATOM 0 HB2 ASP A 42 -5.061 5.253 -10.860 1.00 15.14 H new ATOM 0 HB3 ASP A 42 -6.580 5.127 -11.725 1.00 15.14 H new ATOM 655 N LYS A 43 -4.487 7.720 -9.329 1.00 43.23 N ATOM 656 CA LYS A 43 -3.443 8.681 -9.013 1.00 3.40 C ATOM 657 C LYS A 43 -2.248 7.971 -8.390 1.00 63.32 C ATOM 658 O LYS A 43 -2.406 7.152 -7.484 1.00 44.22 O ATOM 659 CB LYS A 43 -3.963 9.755 -8.052 1.00 74.15 C ATOM 660 CG LYS A 43 -2.900 10.761 -7.646 1.00 72.42 C ATOM 661 CD LYS A 43 -3.375 11.686 -6.538 1.00 32.44 C ATOM 662 CE LYS A 43 -4.364 12.720 -7.038 1.00 42.42 C ATOM 663 NZ LYS A 43 -4.746 13.664 -5.958 1.00 3.13 N ATOM 0 H LYS A 43 -4.418 6.841 -8.815 1.00 43.23 H new ATOM 0 HA LYS A 43 -3.134 9.164 -9.940 1.00 3.40 H new ATOM 0 HB2 LYS A 43 -4.793 10.283 -8.522 1.00 74.15 H new ATOM 0 HB3 LYS A 43 -4.358 9.273 -7.158 1.00 74.15 H new ATOM 0 HG2 LYS A 43 -2.008 10.230 -7.315 1.00 72.42 H new ATOM 0 HG3 LYS A 43 -2.614 11.355 -8.514 1.00 72.42 H new ATOM 0 HD2 LYS A 43 -3.838 11.095 -5.748 1.00 32.44 H new ATOM 0 HD3 LYS A 43 -2.516 12.191 -6.096 1.00 32.44 H new ATOM 0 HE2 LYS A 43 -3.927 13.273 -7.870 1.00 42.42 H new ATOM 0 HE3 LYS A 43 -5.254 12.221 -7.420 1.00 42.42 H new ATOM 0 HZ1 LYS A 43 -5.397 14.380 -6.337 1.00 3.13 H new ATOM 0 HZ2 LYS A 43 -5.215 13.142 -5.190 1.00 3.13 H new ATOM 0 HZ3 LYS A 43 -3.894 14.132 -5.588 1.00 3.13 H new ATOM 677 N LEU A 44 -1.060 8.278 -8.885 1.00 23.32 N ATOM 678 CA LEU A 44 0.162 7.701 -8.349 1.00 11.40 C ATOM 679 C LEU A 44 0.895 8.723 -7.483 1.00 11.40 C ATOM 680 O LEU A 44 1.437 9.703 -7.993 1.00 54.03 O ATOM 681 CB LEU A 44 1.067 7.234 -9.490 1.00 55.31 C ATOM 682 CG LEU A 44 2.382 6.587 -9.052 1.00 62.33 C ATOM 683 CD1 LEU A 44 2.112 5.289 -8.313 1.00 2.15 C ATOM 684 CD2 LEU A 44 3.278 6.339 -10.254 1.00 4.11 C ATOM 0 H LEU A 44 -0.916 8.926 -9.660 1.00 23.32 H new ATOM 0 HA LEU A 44 -0.099 6.842 -7.731 1.00 11.40 H new ATOM 0 HB2 LEU A 44 0.515 6.520 -10.102 1.00 55.31 H new ATOM 0 HB3 LEU A 44 1.295 8.090 -10.126 1.00 55.31 H new ATOM 0 HG LEU A 44 2.896 7.270 -8.375 1.00 62.33 H new ATOM 0 HD11 LEU A 44 3.057 4.841 -8.008 1.00 2.15 H new ATOM 0 HD12 LEU A 44 1.505 5.492 -7.431 1.00 2.15 H new ATOM 0 HD13 LEU A 44 1.579 4.601 -8.969 1.00 2.15 H new ATOM 0 HD21 LEU A 44 4.209 5.878 -9.925 1.00 4.11 H new ATOM 0 HD22 LEU A 44 2.772 5.674 -10.954 1.00 4.11 H new ATOM 0 HD23 LEU A 44 3.496 7.286 -10.747 1.00 4.11 H new ATOM 696 N VAL A 45 0.898 8.494 -6.179 1.00 21.34 N ATOM 697 CA VAL A 45 1.577 9.385 -5.247 1.00 50.23 C ATOM 698 C VAL A 45 2.645 8.626 -4.474 1.00 22.44 C ATOM 699 O VAL A 45 2.364 7.606 -3.850 1.00 62.51 O ATOM 700 CB VAL A 45 0.604 10.029 -4.235 1.00 3.30 C ATOM 701 CG1 VAL A 45 1.337 11.028 -3.349 1.00 14.05 C ATOM 702 CG2 VAL A 45 -0.553 10.707 -4.948 1.00 52.12 C ATOM 0 H VAL A 45 0.437 7.697 -5.740 1.00 21.34 H new ATOM 0 HA VAL A 45 2.027 10.177 -5.845 1.00 50.23 H new ATOM 0 HB VAL A 45 0.200 9.236 -3.606 1.00 3.30 H new ATOM 0 HG11 VAL A 45 0.635 11.471 -2.643 1.00 14.05 H new ATOM 0 HG12 VAL A 45 2.129 10.516 -2.801 1.00 14.05 H new ATOM 0 HG13 VAL A 45 1.773 11.812 -3.968 1.00 14.05 H new ATOM 0 HG21 VAL A 45 -1.223 11.152 -4.212 1.00 52.12 H new ATOM 0 HG22 VAL A 45 -0.168 11.486 -5.607 1.00 52.12 H new ATOM 0 HG23 VAL A 45 -1.099 9.970 -5.537 1.00 52.12 H new ATOM 712 N THR A 46 3.867 9.114 -4.534 1.00 24.51 N ATOM 713 CA THR A 46 4.961 8.501 -3.813 1.00 25.13 C ATOM 714 C THR A 46 4.959 8.941 -2.349 1.00 51.04 C ATOM 715 O THR A 46 4.832 10.125 -2.038 1.00 32.42 O ATOM 716 CB THR A 46 6.305 8.875 -4.451 1.00 32.41 C ATOM 717 OG1 THR A 46 6.188 8.844 -5.883 1.00 3.13 O ATOM 718 CG2 THR A 46 7.406 7.922 -4.016 1.00 53.43 C ATOM 0 H THR A 46 4.127 9.937 -5.077 1.00 24.51 H new ATOM 0 HA THR A 46 4.827 7.420 -3.862 1.00 25.13 H new ATOM 0 HB THR A 46 6.567 9.880 -4.120 1.00 32.41 H new ATOM 0 HG1 THR A 46 7.048 9.085 -6.287 1.00 3.13 H new ATOM 0 HG21 THR A 46 8.346 8.213 -4.485 1.00 53.43 H new ATOM 0 HG22 THR A 46 7.514 7.961 -2.932 1.00 53.43 H new ATOM 0 HG23 THR A 46 7.149 6.907 -4.319 1.00 53.43 H new ATOM 726 N PHE A 47 5.096 7.977 -1.466 1.00 60.12 N ATOM 727 CA PHE A 47 5.193 8.226 -0.036 1.00 60.30 C ATOM 728 C PHE A 47 6.398 7.487 0.508 1.00 13.45 C ATOM 729 O PHE A 47 7.075 6.780 -0.234 1.00 73.24 O ATOM 730 CB PHE A 47 3.938 7.760 0.710 1.00 43.00 C ATOM 731 CG PHE A 47 2.704 8.567 0.427 1.00 32.22 C ATOM 732 CD1 PHE A 47 2.541 9.826 0.982 1.00 31.51 C ATOM 733 CD2 PHE A 47 1.696 8.057 -0.374 1.00 2.13 C ATOM 734 CE1 PHE A 47 1.397 10.562 0.742 1.00 1.45 C ATOM 735 CE2 PHE A 47 0.551 8.788 -0.620 1.00 63.34 C ATOM 736 CZ PHE A 47 0.400 10.041 -0.060 1.00 11.54 C ATOM 0 H PHE A 47 5.144 6.990 -1.717 1.00 60.12 H new ATOM 0 HA PHE A 47 5.293 9.301 0.117 1.00 60.30 H new ATOM 0 HB2 PHE A 47 3.743 6.720 0.450 1.00 43.00 H new ATOM 0 HB3 PHE A 47 4.137 7.789 1.781 1.00 43.00 H new ATOM 0 HD1 PHE A 47 3.318 10.237 1.610 1.00 31.51 H new ATOM 0 HD2 PHE A 47 1.807 7.076 -0.811 1.00 2.13 H new ATOM 0 HE1 PHE A 47 1.282 11.542 1.180 1.00 1.45 H new ATOM 0 HE2 PHE A 47 -0.226 8.380 -1.250 1.00 63.34 H new ATOM 0 HZ PHE A 47 -0.496 10.613 -0.249 1.00 11.54 H new ATOM 746 N ARG A 48 6.667 7.634 1.789 1.00 54.20 N ATOM 747 CA ARG A 48 7.795 6.953 2.394 1.00 60.13 C ATOM 748 C ARG A 48 7.333 5.677 3.082 1.00 35.04 C ATOM 749 O ARG A 48 6.139 5.384 3.124 1.00 64.34 O ATOM 750 CB ARG A 48 8.530 7.861 3.384 1.00 15.31 C ATOM 751 CG ARG A 48 9.222 9.053 2.735 1.00 41.54 C ATOM 752 CD ARG A 48 8.251 10.191 2.450 1.00 22.33 C ATOM 753 NE ARG A 48 7.744 10.790 3.683 1.00 64.11 N ATOM 754 CZ ARG A 48 6.870 11.796 3.728 1.00 2.44 C ATOM 755 NH1 ARG A 48 6.354 12.286 2.608 1.00 44.01 N ATOM 756 NH2 ARG A 48 6.499 12.295 4.903 1.00 0.32 N ATOM 0 H ARG A 48 6.125 8.215 2.428 1.00 54.20 H new ATOM 0 HA ARG A 48 8.495 6.692 1.601 1.00 60.13 H new ATOM 0 HB2 ARG A 48 7.818 8.226 4.124 1.00 15.31 H new ATOM 0 HB3 ARG A 48 9.273 7.270 3.920 1.00 15.31 H new ATOM 0 HG2 ARG A 48 10.017 9.410 3.389 1.00 41.54 H new ATOM 0 HG3 ARG A 48 9.693 8.736 1.804 1.00 41.54 H new ATOM 0 HD2 ARG A 48 8.750 10.954 1.853 1.00 22.33 H new ATOM 0 HD3 ARG A 48 7.416 9.817 1.857 1.00 22.33 H new ATOM 0 HE ARG A 48 8.081 10.413 4.569 1.00 64.11 H new ATOM 0 HH11 ARG A 48 6.626 11.893 1.707 1.00 44.01 H new ATOM 0 HH12 ARG A 48 5.686 13.056 2.648 1.00 44.01 H new ATOM 0 HH21 ARG A 48 6.883 11.908 5.765 1.00 0.32 H new ATOM 0 HH22 ARG A 48 5.831 13.065 4.942 1.00 0.32 H new ATOM 770 N LEU A 49 8.273 4.937 3.644 1.00 11.41 N ATOM 771 CA LEU A 49 7.970 3.647 4.250 1.00 11.33 C ATOM 772 C LEU A 49 7.352 3.850 5.626 1.00 1.41 C ATOM 773 O LEU A 49 6.596 3.013 6.114 1.00 15.22 O ATOM 774 CB LEU A 49 9.232 2.784 4.346 1.00 42.24 C ATOM 775 CG LEU A 49 9.942 2.514 3.017 1.00 42.32 C ATOM 776 CD1 LEU A 49 11.118 1.577 3.229 1.00 34.41 C ATOM 777 CD2 LEU A 49 8.973 1.936 1.994 1.00 64.14 C ATOM 0 H LEU A 49 9.256 5.206 3.695 1.00 11.41 H new ATOM 0 HA LEU A 49 7.252 3.125 3.618 1.00 11.33 H new ATOM 0 HB2 LEU A 49 9.935 3.271 5.022 1.00 42.24 H new ATOM 0 HB3 LEU A 49 8.965 1.828 4.797 1.00 42.24 H new ATOM 0 HG LEU A 49 10.318 3.461 2.629 1.00 42.32 H new ATOM 0 HD11 LEU A 49 11.614 1.394 2.276 1.00 34.41 H new ATOM 0 HD12 LEU A 49 11.824 2.031 3.924 1.00 34.41 H new ATOM 0 HD13 LEU A 49 10.761 0.633 3.640 1.00 34.41 H new ATOM 0 HD21 LEU A 49 9.500 1.752 1.057 1.00 64.14 H new ATOM 0 HD22 LEU A 49 8.563 0.999 2.370 1.00 64.14 H new ATOM 0 HD23 LEU A 49 8.162 2.643 1.821 1.00 64.14 H new ATOM 789 N SER A 50 7.675 4.980 6.237 1.00 35.41 N ATOM 790 CA SER A 50 7.068 5.378 7.497 1.00 4.53 C ATOM 791 C SER A 50 5.659 5.900 7.254 1.00 43.33 C ATOM 792 O SER A 50 4.834 5.979 8.167 1.00 62.40 O ATOM 793 CB SER A 50 7.936 6.451 8.161 1.00 42.33 C ATOM 794 OG SER A 50 8.463 7.344 7.186 1.00 11.32 O ATOM 0 H SER A 50 8.361 5.643 5.876 1.00 35.41 H new ATOM 0 HA SER A 50 7.002 4.516 8.161 1.00 4.53 H new ATOM 0 HB2 SER A 50 7.344 7.007 8.888 1.00 42.33 H new ATOM 0 HB3 SER A 50 8.752 5.979 8.708 1.00 42.33 H new ATOM 0 HG SER A 50 7.727 7.741 6.674 1.00 11.32 H new ATOM 800 N GLU A 51 5.393 6.235 6.003 1.00 63.40 N ATOM 801 CA GLU A 51 4.103 6.788 5.610 1.00 31.15 C ATOM 802 C GLU A 51 3.112 5.680 5.301 1.00 52.24 C ATOM 803 O GLU A 51 1.900 5.898 5.296 1.00 34.32 O ATOM 804 CB GLU A 51 4.272 7.687 4.384 1.00 23.21 C ATOM 805 CG GLU A 51 4.707 9.108 4.706 1.00 42.01 C ATOM 806 CD GLU A 51 5.635 9.194 5.899 1.00 1.32 C ATOM 807 OE1 GLU A 51 6.825 8.852 5.765 1.00 4.44 O ATOM 808 OE2 GLU A 51 5.170 9.610 6.978 1.00 34.25 O ATOM 0 H GLU A 51 6.057 6.134 5.235 1.00 63.40 H new ATOM 0 HA GLU A 51 3.716 7.377 6.441 1.00 31.15 H new ATOM 0 HB2 GLU A 51 5.007 7.237 3.716 1.00 23.21 H new ATOM 0 HB3 GLU A 51 3.328 7.723 3.841 1.00 23.21 H new ATOM 0 HG2 GLU A 51 5.205 9.534 3.835 1.00 42.01 H new ATOM 0 HG3 GLU A 51 3.823 9.717 4.897 1.00 42.01 H new ATOM 815 N LEU A 52 3.632 4.492 5.054 1.00 51.42 N ATOM 816 CA LEU A 52 2.821 3.378 4.611 1.00 73.41 C ATOM 817 C LEU A 52 2.950 2.196 5.554 1.00 63.52 C ATOM 818 O LEU A 52 4.055 1.702 5.780 1.00 15.22 O ATOM 819 CB LEU A 52 3.278 2.951 3.222 1.00 72.32 C ATOM 820 CG LEU A 52 3.273 4.052 2.165 1.00 23.44 C ATOM 821 CD1 LEU A 52 3.938 3.556 0.892 1.00 4.13 C ATOM 822 CD2 LEU A 52 1.850 4.510 1.884 1.00 41.23 C ATOM 0 H LEU A 52 4.623 4.275 5.155 1.00 51.42 H new ATOM 0 HA LEU A 52 1.779 3.697 4.594 1.00 73.41 H new ATOM 0 HB2 LEU A 52 4.288 2.548 3.298 1.00 72.32 H new ATOM 0 HB3 LEU A 52 2.636 2.139 2.880 1.00 72.32 H new ATOM 0 HG LEU A 52 3.838 4.905 2.542 1.00 23.44 H new ATOM 0 HD11 LEU A 52 3.929 4.349 0.144 1.00 4.13 H new ATOM 0 HD12 LEU A 52 4.968 3.271 1.107 1.00 4.13 H new ATOM 0 HD13 LEU A 52 3.394 2.692 0.511 1.00 4.13 H new ATOM 0 HD21 LEU A 52 1.863 5.295 1.128 1.00 41.23 H new ATOM 0 HD22 LEU A 52 1.261 3.667 1.521 1.00 41.23 H new ATOM 0 HD23 LEU A 52 1.404 4.896 2.801 1.00 41.23 H new ATOM 834 N GLU A 53 1.839 1.735 6.102 1.00 12.21 N ATOM 835 CA GLU A 53 1.864 0.517 6.887 1.00 0.44 C ATOM 836 C GLU A 53 1.648 -0.676 5.964 1.00 14.13 C ATOM 837 O GLU A 53 0.628 -0.772 5.275 1.00 73.21 O ATOM 838 CB GLU A 53 0.826 0.540 8.021 1.00 63.45 C ATOM 839 CG GLU A 53 -0.621 0.637 7.564 1.00 14.51 C ATOM 840 CD GLU A 53 -1.599 0.463 8.707 1.00 73.03 C ATOM 841 OE1 GLU A 53 -1.694 -0.662 9.240 1.00 22.00 O ATOM 842 OE2 GLU A 53 -2.269 1.449 9.087 1.00 32.00 O ATOM 0 H GLU A 53 0.924 2.178 6.019 1.00 12.21 H new ATOM 0 HA GLU A 53 2.839 0.432 7.366 1.00 0.44 H new ATOM 0 HB2 GLU A 53 0.943 -0.364 8.619 1.00 63.45 H new ATOM 0 HB3 GLU A 53 1.043 1.385 8.675 1.00 63.45 H new ATOM 0 HG2 GLU A 53 -0.786 1.606 7.092 1.00 14.51 H new ATOM 0 HG3 GLU A 53 -0.812 -0.123 6.807 1.00 14.51 H new ATOM 849 N ALA A 54 2.638 -1.551 5.907 1.00 21.55 N ATOM 850 CA ALA A 54 2.550 -2.734 5.072 1.00 25.43 C ATOM 851 C ALA A 54 1.627 -3.753 5.713 1.00 21.43 C ATOM 852 O ALA A 54 1.974 -4.383 6.715 1.00 10.44 O ATOM 853 CB ALA A 54 3.929 -3.328 4.833 1.00 71.54 C ATOM 0 H ALA A 54 3.510 -1.464 6.429 1.00 21.55 H new ATOM 0 HA ALA A 54 2.137 -2.450 4.104 1.00 25.43 H new ATOM 0 HB1 ALA A 54 3.840 -4.214 4.205 1.00 71.54 H new ATOM 0 HB2 ALA A 54 4.561 -2.592 4.335 1.00 71.54 H new ATOM 0 HB3 ALA A 54 4.377 -3.604 5.788 1.00 71.54 H new ATOM 859 N VAL A 55 0.441 -3.889 5.145 1.00 71.31 N ATOM 860 CA VAL A 55 -0.560 -4.791 5.683 1.00 42.22 C ATOM 861 C VAL A 55 -0.191 -6.235 5.362 1.00 33.13 C ATOM 862 O VAL A 55 0.716 -6.500 4.565 1.00 12.34 O ATOM 863 CB VAL A 55 -1.969 -4.490 5.116 1.00 45.42 C ATOM 864 CG1 VAL A 55 -3.058 -5.007 6.046 1.00 4.23 C ATOM 865 CG2 VAL A 55 -2.147 -3.001 4.851 1.00 25.22 C ATOM 0 H VAL A 55 0.148 -3.384 4.309 1.00 71.31 H new ATOM 0 HA VAL A 55 -0.585 -4.642 6.762 1.00 42.22 H new ATOM 0 HB VAL A 55 -2.061 -5.015 4.165 1.00 45.42 H new ATOM 0 HG11 VAL A 55 -4.036 -4.781 5.622 1.00 4.23 H new ATOM 0 HG12 VAL A 55 -2.954 -6.086 6.164 1.00 4.23 H new ATOM 0 HG13 VAL A 55 -2.965 -4.525 7.019 1.00 4.23 H new ATOM 0 HG21 VAL A 55 -3.145 -2.819 4.453 1.00 25.22 H new ATOM 0 HG22 VAL A 55 -2.021 -2.448 5.782 1.00 25.22 H new ATOM 0 HG23 VAL A 55 -1.402 -2.669 4.128 1.00 25.22 H new