USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=8 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 Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 160:sc= -0.187 USER MOD Single : A 12 ASN : amide:sc= -0.971 K(o=-0.97,f=-2) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.15) USER MOD Single : A 28 SER OG : rot 32:sc= 0.221 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=-0.59) USER MOD Single : A 40 ASN : amide:sc= -0.245 K(o=-0.24,f=0.75) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00373 USER MOD Single : A 50 SER OG : rot 82:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 7.955 -3.680 3.158 1.00 1.43 N ATOM 21 CA ILE A 2 7.004 -3.376 2.087 1.00 22.52 C ATOM 22 C ILE A 2 7.561 -3.841 0.738 1.00 4.31 C ATOM 23 O ILE A 2 8.765 -3.786 0.495 1.00 74.41 O ATOM 24 CB ILE A 2 6.634 -1.871 2.037 1.00 51.23 C ATOM 25 CG1 ILE A 2 6.013 -1.436 3.371 1.00 25.40 C ATOM 26 CG2 ILE A 2 5.677 -1.584 0.888 1.00 24.33 C ATOM 27 CD1 ILE A 2 5.691 0.040 3.448 1.00 45.23 C ATOM 0 HA ILE A 2 6.085 -3.921 2.302 1.00 22.52 H new ATOM 0 HB ILE A 2 7.546 -1.299 1.868 1.00 51.23 H new ATOM 0 HG12 ILE A 2 5.099 -2.006 3.537 1.00 25.40 H new ATOM 0 HG13 ILE A 2 6.699 -1.690 4.179 1.00 25.40 H new ATOM 0 HG21 ILE A 2 5.433 -0.522 0.875 1.00 24.33 H new ATOM 0 HG22 ILE A 2 6.148 -1.860 -0.055 1.00 24.33 H new ATOM 0 HG23 ILE A 2 4.764 -2.164 1.021 1.00 24.33 H new ATOM 0 HD11 ILE A 2 5.256 0.267 4.421 1.00 45.23 H new ATOM 0 HD12 ILE A 2 6.605 0.619 3.315 1.00 45.23 H new ATOM 0 HD13 ILE A 2 4.980 0.299 2.663 1.00 45.23 H new ATOM 39 N PHE A 3 6.682 -4.324 -0.124 1.00 0.35 N ATOM 40 CA PHE A 3 7.097 -4.894 -1.397 1.00 41.13 C ATOM 41 C PHE A 3 6.273 -4.314 -2.539 1.00 55.02 C ATOM 42 O PHE A 3 5.096 -3.994 -2.362 1.00 23.53 O ATOM 43 CB PHE A 3 6.939 -6.420 -1.376 1.00 11.44 C ATOM 44 CG PHE A 3 7.709 -7.105 -0.283 1.00 4.40 C ATOM 45 CD1 PHE A 3 9.068 -7.341 -0.416 1.00 72.22 C ATOM 46 CD2 PHE A 3 7.072 -7.516 0.878 1.00 45.34 C ATOM 47 CE1 PHE A 3 9.777 -7.974 0.587 1.00 0.20 C ATOM 48 CE2 PHE A 3 7.776 -8.149 1.885 1.00 61.53 C ATOM 49 CZ PHE A 3 9.130 -8.379 1.738 1.00 73.31 C ATOM 0 H PHE A 3 5.674 -4.333 0.034 1.00 0.35 H new ATOM 0 HA PHE A 3 8.146 -4.643 -1.554 1.00 41.13 H new ATOM 0 HB2 PHE A 3 5.882 -6.663 -1.267 1.00 11.44 H new ATOM 0 HB3 PHE A 3 7.261 -6.820 -2.337 1.00 11.44 H new ATOM 0 HD1 PHE A 3 9.579 -7.027 -1.314 1.00 72.22 H new ATOM 0 HD2 PHE A 3 6.013 -7.339 0.997 1.00 45.34 H new ATOM 0 HE1 PHE A 3 10.836 -8.152 0.471 1.00 0.20 H new ATOM 0 HE2 PHE A 3 7.268 -8.463 2.785 1.00 61.53 H new ATOM 0 HZ PHE A 3 9.682 -8.875 2.522 1.00 73.31 H new ATOM 59 N PRO A 4 6.889 -4.148 -3.717 1.00 0.51 N ATOM 60 CA PRO A 4 6.178 -3.734 -4.924 1.00 31.15 C ATOM 61 C PRO A 4 5.116 -4.755 -5.316 1.00 52.05 C ATOM 62 O PRO A 4 5.407 -5.944 -5.471 1.00 5.00 O ATOM 63 CB PRO A 4 7.274 -3.659 -5.993 1.00 21.43 C ATOM 64 CG PRO A 4 8.553 -3.578 -5.235 1.00 33.15 C ATOM 65 CD PRO A 4 8.326 -4.333 -3.960 1.00 63.11 C ATOM 0 HA PRO A 4 5.650 -2.790 -4.790 1.00 31.15 H new ATOM 0 HB2 PRO A 4 7.254 -4.536 -6.640 1.00 21.43 H new ATOM 0 HB3 PRO A 4 7.140 -2.788 -6.634 1.00 21.43 H new ATOM 0 HG2 PRO A 4 9.373 -4.014 -5.806 1.00 33.15 H new ATOM 0 HG3 PRO A 4 8.821 -2.541 -5.032 1.00 33.15 H new ATOM 0 HD2 PRO A 4 8.585 -5.387 -4.063 1.00 63.11 H new ATOM 0 HD3 PRO A 4 8.928 -3.935 -3.143 1.00 63.11 H new ATOM 73 N GLY A 5 3.889 -4.288 -5.467 1.00 0.43 N ATOM 74 CA GLY A 5 2.786 -5.173 -5.768 1.00 31.30 C ATOM 75 C GLY A 5 1.925 -5.441 -4.552 1.00 1.20 C ATOM 76 O GLY A 5 0.909 -6.131 -4.641 1.00 62.31 O ATOM 0 H GLY A 5 3.635 -3.303 -5.386 1.00 0.43 H new ATOM 0 HA2 GLY A 5 2.174 -4.734 -6.556 1.00 31.30 H new ATOM 0 HA3 GLY A 5 3.173 -6.116 -6.153 1.00 31.30 H new ATOM 80 N ALA A 6 2.332 -4.894 -3.413 1.00 0.04 N ATOM 81 CA ALA A 6 1.599 -5.084 -2.169 1.00 75.44 C ATOM 82 C ALA A 6 0.792 -3.839 -1.820 1.00 51.13 C ATOM 83 O ALA A 6 1.130 -2.729 -2.242 1.00 64.45 O ATOM 84 CB ALA A 6 2.556 -5.433 -1.039 1.00 0.05 C ATOM 0 H ALA A 6 3.167 -4.315 -3.326 1.00 0.04 H new ATOM 0 HA ALA A 6 0.903 -5.912 -2.305 1.00 75.44 H new ATOM 0 HB1 ALA A 6 1.994 -5.572 -0.116 1.00 0.05 H new ATOM 0 HB2 ALA A 6 3.087 -6.353 -1.283 1.00 0.05 H new ATOM 0 HB3 ALA A 6 3.275 -4.624 -0.908 1.00 0.05 H new ATOM 90 N THR A 7 -0.268 -4.037 -1.056 1.00 52.15 N ATOM 91 CA THR A 7 -1.132 -2.948 -0.640 1.00 14.31 C ATOM 92 C THR A 7 -0.624 -2.328 0.660 1.00 65.54 C ATOM 93 O THR A 7 -0.246 -3.038 1.594 1.00 43.42 O ATOM 94 CB THR A 7 -2.571 -3.456 -0.437 1.00 71.41 C ATOM 95 OG1 THR A 7 -2.925 -4.340 -1.512 1.00 21.21 O ATOM 96 CG2 THR A 7 -3.557 -2.295 -0.385 1.00 14.34 C ATOM 0 H THR A 7 -0.552 -4.953 -0.708 1.00 52.15 H new ATOM 0 HA THR A 7 -1.125 -2.190 -1.423 1.00 14.31 H new ATOM 0 HB THR A 7 -2.617 -3.990 0.512 1.00 71.41 H new ATOM 0 HG1 THR A 7 -3.841 -4.664 -1.381 1.00 21.21 H new ATOM 0 HG21 THR A 7 -4.566 -2.681 -0.241 1.00 14.34 H new ATOM 0 HG22 THR A 7 -3.299 -1.635 0.444 1.00 14.34 H new ATOM 0 HG23 THR A 7 -3.512 -1.737 -1.320 1.00 14.34 H new ATOM 104 N VAL A 8 -0.595 -1.006 0.706 1.00 23.30 N ATOM 105 CA VAL A 8 -0.184 -0.297 1.908 1.00 22.21 C ATOM 106 C VAL A 8 -1.265 0.675 2.355 1.00 11.35 C ATOM 107 O VAL A 8 -2.059 1.154 1.544 1.00 64.44 O ATOM 108 CB VAL A 8 1.134 0.472 1.707 1.00 12.20 C ATOM 109 CG1 VAL A 8 2.298 -0.495 1.561 1.00 51.25 C ATOM 110 CG2 VAL A 8 1.043 1.396 0.501 1.00 72.54 C ATOM 0 H VAL A 8 -0.851 -0.402 -0.075 1.00 23.30 H new ATOM 0 HA VAL A 8 -0.025 -1.053 2.677 1.00 22.21 H new ATOM 0 HB VAL A 8 1.309 1.087 2.589 1.00 12.20 H new ATOM 0 HG11 VAL A 8 3.222 0.066 1.420 1.00 51.25 H new ATOM 0 HG12 VAL A 8 2.378 -1.106 2.460 1.00 51.25 H new ATOM 0 HG13 VAL A 8 2.130 -1.140 0.698 1.00 51.25 H new ATOM 0 HG21 VAL A 8 1.986 1.929 0.379 1.00 72.54 H new ATOM 0 HG22 VAL A 8 0.840 0.807 -0.394 1.00 72.54 H new ATOM 0 HG23 VAL A 8 0.237 2.114 0.653 1.00 72.54 H new ATOM 120 N ARG A 9 -1.282 0.959 3.644 1.00 0.01 N ATOM 121 CA ARG A 9 -2.280 1.837 4.225 1.00 24.52 C ATOM 122 C ARG A 9 -1.624 3.136 4.672 1.00 21.15 C ATOM 123 O ARG A 9 -0.713 3.122 5.497 1.00 72.12 O ATOM 124 CB ARG A 9 -2.941 1.129 5.409 1.00 14.03 C ATOM 125 CG ARG A 9 -4.084 1.892 6.054 1.00 43.24 C ATOM 126 CD ARG A 9 -4.634 1.110 7.234 1.00 20.44 C ATOM 127 NE ARG A 9 -5.785 1.756 7.857 1.00 35.52 N ATOM 128 CZ ARG A 9 -6.045 1.694 9.160 1.00 51.42 C ATOM 129 NH1 ARG A 9 -5.195 1.086 9.984 1.00 32.54 N ATOM 130 NH2 ARG A 9 -7.149 2.252 9.640 1.00 52.31 N ATOM 0 H ARG A 9 -0.608 0.590 4.315 1.00 0.01 H new ATOM 0 HA ARG A 9 -3.043 2.076 3.484 1.00 24.52 H new ATOM 0 HB2 ARG A 9 -3.314 0.161 5.073 1.00 14.03 H new ATOM 0 HB3 ARG A 9 -2.182 0.933 6.166 1.00 14.03 H new ATOM 0 HG2 ARG A 9 -3.737 2.870 6.386 1.00 43.24 H new ATOM 0 HG3 ARG A 9 -4.874 2.066 5.323 1.00 43.24 H new ATOM 0 HD2 ARG A 9 -4.920 0.112 6.901 1.00 20.44 H new ATOM 0 HD3 ARG A 9 -3.848 0.984 7.978 1.00 20.44 H new ATOM 0 HE ARG A 9 -6.424 2.283 7.262 1.00 35.52 H new ATOM 0 HH11 ARG A 9 -4.341 0.666 9.617 1.00 32.54 H new ATOM 0 HH12 ARG A 9 -5.397 1.040 10.983 1.00 32.54 H new ATOM 0 HH21 ARG A 9 -7.796 2.727 9.010 1.00 52.31 H new ATOM 0 HH22 ARG A 9 -7.351 2.206 10.639 1.00 52.31 H new ATOM 144 N VAL A 10 -2.064 4.251 4.115 1.00 63.41 N ATOM 145 CA VAL A 10 -1.490 5.544 4.459 1.00 32.33 C ATOM 146 C VAL A 10 -1.998 6.001 5.821 1.00 54.13 C ATOM 147 O VAL A 10 -3.113 6.503 5.945 1.00 0.53 O ATOM 148 CB VAL A 10 -1.818 6.619 3.400 1.00 31.23 C ATOM 149 CG1 VAL A 10 -1.075 7.914 3.696 1.00 15.50 C ATOM 150 CG2 VAL A 10 -1.488 6.117 2.003 1.00 33.41 C ATOM 0 H VAL A 10 -2.814 4.289 3.425 1.00 63.41 H new ATOM 0 HA VAL A 10 -0.408 5.420 4.492 1.00 32.33 H new ATOM 0 HB VAL A 10 -2.888 6.824 3.445 1.00 31.23 H new ATOM 0 HG11 VAL A 10 -1.321 8.657 2.937 1.00 15.50 H new ATOM 0 HG12 VAL A 10 -1.370 8.286 4.677 1.00 15.50 H new ATOM 0 HG13 VAL A 10 -0.001 7.728 3.686 1.00 15.50 H new ATOM 0 HG21 VAL A 10 -1.727 6.890 1.273 1.00 33.41 H new ATOM 0 HG22 VAL A 10 -0.426 5.877 1.944 1.00 33.41 H new ATOM 0 HG23 VAL A 10 -2.074 5.223 1.790 1.00 33.41 H new ATOM 160 N THR A 11 -1.193 5.792 6.846 1.00 65.14 N ATOM 161 CA THR A 11 -1.574 6.158 8.197 1.00 40.02 C ATOM 162 C THR A 11 -0.830 7.403 8.663 1.00 43.33 C ATOM 163 O THR A 11 -0.828 7.732 9.850 1.00 72.41 O ATOM 164 CB THR A 11 -1.310 4.996 9.168 1.00 5.43 C ATOM 165 OG1 THR A 11 0.005 4.469 8.952 1.00 41.11 O ATOM 166 CG2 THR A 11 -2.345 3.896 8.977 1.00 22.50 C ATOM 0 H THR A 11 -0.268 5.369 6.768 1.00 65.14 H new ATOM 0 HA THR A 11 -2.641 6.379 8.190 1.00 40.02 H new ATOM 0 HB THR A 11 -1.384 5.372 10.188 1.00 5.43 H new ATOM 0 HG1 THR A 11 0.292 3.971 9.746 1.00 41.11 H new ATOM 0 HG21 THR A 11 -2.143 3.081 9.672 1.00 22.50 H new ATOM 0 HG22 THR A 11 -3.341 4.296 9.167 1.00 22.50 H new ATOM 0 HG23 THR A 11 -2.293 3.521 7.955 1.00 22.50 H new ATOM 174 N ASN A 12 -0.208 8.098 7.719 1.00 23.40 N ATOM 175 CA ASN A 12 0.480 9.346 8.013 1.00 12.42 C ATOM 176 C ASN A 12 -0.524 10.380 8.517 1.00 14.11 C ATOM 177 O ASN A 12 -1.399 10.822 7.776 1.00 12.20 O ATOM 178 CB ASN A 12 1.208 9.856 6.765 1.00 2.12 C ATOM 179 CG ASN A 12 2.033 11.102 7.023 1.00 21.13 C ATOM 180 OD1 ASN A 12 2.509 11.329 8.136 1.00 41.25 O ATOM 181 ND2 ASN A 12 2.222 11.914 5.993 1.00 13.12 N ATOM 0 H ASN A 12 -0.167 7.816 6.740 1.00 23.40 H new ATOM 0 HA ASN A 12 1.223 9.173 8.791 1.00 12.42 H new ATOM 0 HB2 ASN A 12 1.859 9.069 6.385 1.00 2.12 H new ATOM 0 HB3 ASN A 12 0.476 10.068 5.986 1.00 2.12 H new ATOM 0 HD21 ASN A 12 2.778 12.761 6.107 1.00 13.12 H new ATOM 0 HD22 ASN A 12 1.811 11.692 5.086 1.00 13.12 H new ATOM 188 N VAL A 13 -0.402 10.748 9.788 1.00 0.15 N ATOM 189 CA VAL A 13 -1.388 11.604 10.445 1.00 43.32 C ATOM 190 C VAL A 13 -1.343 13.028 9.897 1.00 54.22 C ATOM 191 O VAL A 13 -2.347 13.741 9.891 1.00 63.32 O ATOM 192 CB VAL A 13 -1.168 11.622 11.973 1.00 14.25 C ATOM 193 CG1 VAL A 13 -2.290 12.365 12.681 1.00 45.44 C ATOM 194 CG2 VAL A 13 -1.043 10.205 12.512 1.00 52.31 C ATOM 0 H VAL A 13 0.373 10.466 10.388 1.00 0.15 H new ATOM 0 HA VAL A 13 -2.373 11.187 10.234 1.00 43.32 H new ATOM 0 HB VAL A 13 -0.237 12.152 12.171 1.00 14.25 H new ATOM 0 HG11 VAL A 13 -2.108 12.361 13.756 1.00 45.44 H new ATOM 0 HG12 VAL A 13 -2.328 13.394 12.323 1.00 45.44 H new ATOM 0 HG13 VAL A 13 -3.240 11.873 12.472 1.00 45.44 H new ATOM 0 HG21 VAL A 13 -0.888 10.238 13.590 1.00 52.31 H new ATOM 0 HG22 VAL A 13 -1.956 9.651 12.293 1.00 52.31 H new ATOM 0 HG23 VAL A 13 -0.195 9.709 12.039 1.00 52.31 H new ATOM 204 N ASP A 14 -0.177 13.431 9.420 1.00 33.42 N ATOM 205 CA ASP A 14 -0.002 14.754 8.830 1.00 21.34 C ATOM 206 C ASP A 14 -0.031 14.638 7.305 1.00 32.15 C ATOM 207 O ASP A 14 0.741 15.277 6.591 1.00 51.01 O ATOM 208 CB ASP A 14 1.317 15.375 9.322 1.00 34.10 C ATOM 209 CG ASP A 14 1.523 16.807 8.862 1.00 33.14 C ATOM 210 OD1 ASP A 14 0.647 17.657 9.127 1.00 4.00 O ATOM 211 OD2 ASP A 14 2.577 17.088 8.251 1.00 34.15 O ATOM 0 H ASP A 14 0.668 12.860 9.429 1.00 33.42 H new ATOM 0 HA ASP A 14 -0.816 15.410 9.139 1.00 21.34 H new ATOM 0 HB2 ASP A 14 1.339 15.345 10.411 1.00 34.10 H new ATOM 0 HB3 ASP A 14 2.149 14.766 8.970 1.00 34.10 H new ATOM 216 N ASP A 15 -0.932 13.798 6.813 1.00 62.52 N ATOM 217 CA ASP A 15 -1.072 13.576 5.378 1.00 14.23 C ATOM 218 C ASP A 15 -2.472 13.962 4.907 1.00 14.24 C ATOM 219 O ASP A 15 -3.281 14.485 5.675 1.00 13.14 O ATOM 220 CB ASP A 15 -0.810 12.105 5.043 1.00 51.25 C ATOM 221 CG ASP A 15 -0.311 11.912 3.628 1.00 11.31 C ATOM 222 OD1 ASP A 15 -1.141 11.897 2.693 1.00 44.12 O ATOM 223 OD2 ASP A 15 0.919 11.781 3.453 1.00 73.33 O ATOM 0 H ASP A 15 -1.579 13.257 7.387 1.00 62.52 H new ATOM 0 HA ASP A 15 -0.341 14.201 4.865 1.00 14.23 H new ATOM 0 HB2 ASP A 15 -0.077 11.702 5.741 1.00 51.25 H new ATOM 0 HB3 ASP A 15 -1.729 11.535 5.182 1.00 51.25 H new ATOM 228 N THR A 16 -2.750 13.698 3.645 1.00 75.41 N ATOM 229 CA THR A 16 -4.045 13.988 3.060 1.00 52.13 C ATOM 230 C THR A 16 -4.801 12.689 2.778 1.00 53.44 C ATOM 231 O THR A 16 -6.031 12.648 2.819 1.00 5.10 O ATOM 232 CB THR A 16 -3.880 14.786 1.753 1.00 21.24 C ATOM 233 OG1 THR A 16 -3.026 15.915 1.984 1.00 20.51 O ATOM 234 CG2 THR A 16 -5.225 15.265 1.225 1.00 51.13 C ATOM 0 H THR A 16 -2.085 13.277 2.996 1.00 75.41 H new ATOM 0 HA THR A 16 -4.615 14.587 3.770 1.00 52.13 H new ATOM 0 HB THR A 16 -3.435 14.128 1.006 1.00 21.24 H new ATOM 0 HG1 THR A 16 -2.920 16.421 1.151 1.00 20.51 H new ATOM 0 HG21 THR A 16 -5.075 15.825 0.302 1.00 51.13 H new ATOM 0 HG22 THR A 16 -5.866 14.405 1.028 1.00 51.13 H new ATOM 0 HG23 THR A 16 -5.699 15.908 1.967 1.00 51.13 H new ATOM 242 N TYR A 17 -4.055 11.624 2.523 1.00 24.42 N ATOM 243 CA TYR A 17 -4.655 10.343 2.167 1.00 2.31 C ATOM 244 C TYR A 17 -4.677 9.395 3.361 1.00 3.14 C ATOM 245 O TYR A 17 -4.492 8.187 3.214 1.00 60.23 O ATOM 246 CB TYR A 17 -3.900 9.722 0.991 1.00 33.35 C ATOM 247 CG TYR A 17 -3.963 10.566 -0.264 1.00 12.21 C ATOM 248 CD1 TYR A 17 -5.116 10.597 -1.041 1.00 23.22 C ATOM 249 CD2 TYR A 17 -2.879 11.339 -0.667 1.00 63.31 C ATOM 250 CE1 TYR A 17 -5.188 11.375 -2.180 1.00 42.41 C ATOM 251 CE2 TYR A 17 -2.943 12.118 -1.808 1.00 11.04 C ATOM 252 CZ TYR A 17 -4.100 12.133 -2.560 1.00 72.21 C ATOM 253 OH TYR A 17 -4.175 12.916 -3.690 1.00 63.14 O ATOM 0 H TYR A 17 -3.036 11.619 2.555 1.00 24.42 H new ATOM 0 HA TYR A 17 -5.689 10.517 1.867 1.00 2.31 H new ATOM 0 HB2 TYR A 17 -2.857 9.576 1.272 1.00 33.35 H new ATOM 0 HB3 TYR A 17 -4.314 8.736 0.780 1.00 33.35 H new ATOM 0 HD1 TYR A 17 -5.969 10.003 -0.749 1.00 23.22 H new ATOM 0 HD2 TYR A 17 -1.973 11.331 -0.079 1.00 63.31 H new ATOM 0 HE1 TYR A 17 -6.092 11.390 -2.770 1.00 42.41 H new ATOM 0 HE2 TYR A 17 -2.092 12.711 -2.109 1.00 11.04 H new ATOM 0 HH TYR A 17 -3.326 13.388 -3.818 1.00 63.14 H new ATOM 263 N TYR A 18 -4.943 9.953 4.535 1.00 3.11 N ATOM 264 CA TYR A 18 -5.027 9.174 5.763 1.00 15.45 C ATOM 265 C TYR A 18 -6.119 8.108 5.641 1.00 52.23 C ATOM 266 O TYR A 18 -7.258 8.420 5.293 1.00 73.55 O ATOM 267 CB TYR A 18 -5.316 10.108 6.952 1.00 75.41 C ATOM 268 CG TYR A 18 -5.108 9.479 8.318 1.00 34.24 C ATOM 269 CD1 TYR A 18 -5.972 8.509 8.806 1.00 40.02 C ATOM 270 CD2 TYR A 18 -4.049 9.869 9.122 1.00 40.01 C ATOM 271 CE1 TYR A 18 -5.784 7.945 10.053 1.00 5.01 C ATOM 272 CE2 TYR A 18 -3.853 9.308 10.371 1.00 43.03 C ATOM 273 CZ TYR A 18 -4.723 8.347 10.831 1.00 20.11 C ATOM 274 OH TYR A 18 -4.535 7.788 12.073 1.00 20.23 O ATOM 0 H TYR A 18 -5.106 10.952 4.662 1.00 3.11 H new ATOM 0 HA TYR A 18 -4.075 8.671 5.933 1.00 15.45 H new ATOM 0 HB2 TYR A 18 -4.676 10.986 6.870 1.00 75.41 H new ATOM 0 HB3 TYR A 18 -6.346 10.457 6.881 1.00 75.41 H new ATOM 0 HD1 TYR A 18 -6.807 8.189 8.200 1.00 40.02 H new ATOM 0 HD2 TYR A 18 -3.364 10.625 8.767 1.00 40.01 H new ATOM 0 HE1 TYR A 18 -6.467 7.191 10.416 1.00 5.01 H new ATOM 0 HE2 TYR A 18 -3.020 9.623 10.982 1.00 43.03 H new ATOM 0 HH TYR A 18 -3.741 8.181 12.492 1.00 20.23 H new ATOM 284 N ARG A 19 -5.738 6.855 5.903 1.00 44.11 N ATOM 285 CA ARG A 19 -6.647 5.695 5.889 1.00 21.21 C ATOM 286 C ARG A 19 -6.921 5.179 4.479 1.00 20.33 C ATOM 287 O ARG A 19 -7.709 4.250 4.303 1.00 72.51 O ATOM 288 CB ARG A 19 -7.971 5.986 6.603 1.00 0.21 C ATOM 289 CG ARG A 19 -7.879 5.920 8.117 1.00 13.10 C ATOM 290 CD ARG A 19 -9.219 6.224 8.760 1.00 33.15 C ATOM 291 NE ARG A 19 -9.168 6.126 10.216 1.00 44.45 N ATOM 292 CZ ARG A 19 -10.251 6.026 10.984 1.00 72.22 C ATOM 293 NH1 ARG A 19 -11.450 5.890 10.430 1.00 71.13 N ATOM 294 NH2 ARG A 19 -10.128 6.024 12.306 1.00 40.23 N ATOM 0 H ARG A 19 -4.776 6.609 6.135 1.00 44.11 H new ATOM 0 HA ARG A 19 -6.124 4.912 6.438 1.00 21.21 H new ATOM 0 HB2 ARG A 19 -8.319 6.977 6.313 1.00 0.21 H new ATOM 0 HB3 ARG A 19 -8.721 5.272 6.263 1.00 0.21 H new ATOM 0 HG2 ARG A 19 -7.543 4.929 8.421 1.00 13.10 H new ATOM 0 HG3 ARG A 19 -7.133 6.632 8.470 1.00 13.10 H new ATOM 0 HD2 ARG A 19 -9.537 7.227 8.476 1.00 33.15 H new ATOM 0 HD3 ARG A 19 -9.969 5.532 8.377 1.00 33.15 H new ATOM 0 HE ARG A 19 -8.254 6.135 10.669 1.00 44.45 H new ATOM 0 HH11 ARG A 19 -11.542 5.862 9.415 1.00 71.13 H new ATOM 0 HH12 ARG A 19 -12.279 5.814 11.020 1.00 71.13 H new ATOM 0 HH21 ARG A 19 -9.204 6.099 12.732 1.00 40.23 H new ATOM 0 HH22 ARG A 19 -10.957 5.947 12.895 1.00 40.23 H new ATOM 308 N PHE A 20 -6.270 5.756 3.483 1.00 11.31 N ATOM 309 CA PHE A 20 -6.395 5.255 2.126 1.00 52.32 C ATOM 310 C PHE A 20 -5.436 4.097 1.905 1.00 43.34 C ATOM 311 O PHE A 20 -4.361 4.037 2.507 1.00 23.14 O ATOM 312 CB PHE A 20 -6.136 6.356 1.103 1.00 53.04 C ATOM 313 CG PHE A 20 -7.274 7.332 0.951 1.00 22.50 C ATOM 314 CD1 PHE A 20 -7.543 8.270 1.933 1.00 71.22 C ATOM 315 CD2 PHE A 20 -8.073 7.309 -0.183 1.00 42.14 C ATOM 316 CE1 PHE A 20 -8.586 9.164 1.791 1.00 20.10 C ATOM 317 CE2 PHE A 20 -9.117 8.202 -0.330 1.00 21.30 C ATOM 318 CZ PHE A 20 -9.374 9.130 0.659 1.00 2.40 C ATOM 0 H PHE A 20 -5.656 6.564 3.587 1.00 11.31 H new ATOM 0 HA PHE A 20 -7.418 4.903 1.989 1.00 52.32 H new ATOM 0 HB2 PHE A 20 -5.238 6.903 1.392 1.00 53.04 H new ATOM 0 HB3 PHE A 20 -5.932 5.898 0.135 1.00 53.04 H new ATOM 0 HD1 PHE A 20 -6.930 8.303 2.821 1.00 71.22 H new ATOM 0 HD2 PHE A 20 -7.877 6.585 -0.960 1.00 42.14 H new ATOM 0 HE1 PHE A 20 -8.785 9.890 2.566 1.00 20.10 H new ATOM 0 HE2 PHE A 20 -9.731 8.174 -1.218 1.00 21.30 H new ATOM 0 HZ PHE A 20 -10.190 9.828 0.547 1.00 2.40 H new ATOM 328 N GLU A 21 -5.837 3.181 1.045 1.00 40.31 N ATOM 329 CA GLU A 21 -5.053 1.989 0.771 1.00 62.22 C ATOM 330 C GLU A 21 -4.787 1.866 -0.723 1.00 71.41 C ATOM 331 O GLU A 21 -5.718 1.884 -1.531 1.00 65.32 O ATOM 332 CB GLU A 21 -5.784 0.745 1.284 1.00 2.04 C ATOM 333 CG GLU A 21 -5.994 0.739 2.791 1.00 12.41 C ATOM 334 CD GLU A 21 -6.782 -0.461 3.270 1.00 35.10 C ATOM 335 OE1 GLU A 21 -6.190 -1.551 3.413 1.00 4.43 O ATOM 336 OE2 GLU A 21 -8.000 -0.318 3.520 1.00 22.24 O ATOM 0 H GLU A 21 -6.709 3.239 0.519 1.00 40.31 H new ATOM 0 HA GLU A 21 -4.098 2.071 1.290 1.00 62.22 H new ATOM 0 HB2 GLU A 21 -6.753 0.674 0.790 1.00 2.04 H new ATOM 0 HB3 GLU A 21 -5.217 -0.142 1.001 1.00 2.04 H new ATOM 0 HG2 GLU A 21 -5.024 0.753 3.288 1.00 12.41 H new ATOM 0 HG3 GLU A 21 -6.515 1.650 3.084 1.00 12.41 H new ATOM 343 N GLY A 22 -3.519 1.749 -1.080 1.00 61.45 N ATOM 344 CA GLY A 22 -3.147 1.655 -2.474 1.00 1.13 C ATOM 345 C GLY A 22 -2.062 0.627 -2.696 1.00 54.03 C ATOM 346 O GLY A 22 -1.491 0.107 -1.737 1.00 40.13 O ATOM 0 H GLY A 22 -2.737 1.717 -0.426 1.00 61.45 H new ATOM 0 HA2 GLY A 22 -4.023 1.393 -3.067 1.00 1.13 H new ATOM 0 HA3 GLY A 22 -2.803 2.628 -2.825 1.00 1.13 H new ATOM 350 N LEU A 23 -1.766 0.338 -3.954 1.00 24.10 N ATOM 351 CA LEU A 23 -0.797 -0.685 -4.287 1.00 41.23 C ATOM 352 C LEU A 23 0.549 -0.067 -4.638 1.00 74.51 C ATOM 353 O LEU A 23 0.641 0.790 -5.520 1.00 41.04 O ATOM 354 CB LEU A 23 -1.304 -1.534 -5.456 1.00 54.42 C ATOM 355 CG LEU A 23 -2.322 -2.623 -5.097 1.00 5.34 C ATOM 356 CD1 LEU A 23 -3.662 -2.018 -4.700 1.00 11.20 C ATOM 357 CD2 LEU A 23 -2.502 -3.585 -6.258 1.00 4.04 C ATOM 0 H LEU A 23 -2.186 0.801 -4.760 1.00 24.10 H new ATOM 0 HA LEU A 23 -0.664 -1.323 -3.413 1.00 41.23 H new ATOM 0 HB2 LEU A 23 -1.755 -0.870 -6.194 1.00 54.42 H new ATOM 0 HB3 LEU A 23 -0.447 -2.008 -5.935 1.00 54.42 H new ATOM 0 HG LEU A 23 -1.934 -3.173 -4.240 1.00 5.34 H new ATOM 0 HD11 LEU A 23 -4.362 -2.816 -4.451 1.00 11.20 H new ATOM 0 HD12 LEU A 23 -3.527 -1.371 -3.833 1.00 11.20 H new ATOM 0 HD13 LEU A 23 -4.058 -1.434 -5.531 1.00 11.20 H new ATOM 0 HD21 LEU A 23 -3.228 -4.351 -5.986 1.00 4.04 H new ATOM 0 HD22 LEU A 23 -2.860 -3.039 -7.131 1.00 4.04 H new ATOM 0 HD23 LEU A 23 -1.547 -4.056 -6.492 1.00 4.04 H new ATOM 369 N VAL A 24 1.585 -0.505 -3.941 1.00 12.35 N ATOM 370 CA VAL A 24 2.944 -0.046 -4.203 1.00 33.51 C ATOM 371 C VAL A 24 3.402 -0.510 -5.575 1.00 60.31 C ATOM 372 O VAL A 24 3.455 -1.705 -5.845 1.00 51.43 O ATOM 373 CB VAL A 24 3.930 -0.575 -3.141 1.00 64.34 C ATOM 374 CG1 VAL A 24 5.350 -0.108 -3.431 1.00 51.45 C ATOM 375 CG2 VAL A 24 3.501 -0.135 -1.753 1.00 11.10 C ATOM 0 H VAL A 24 1.512 -1.183 -3.183 1.00 12.35 H new ATOM 0 HA VAL A 24 2.934 1.043 -4.163 1.00 33.51 H new ATOM 0 HB VAL A 24 3.917 -1.664 -3.182 1.00 64.34 H new ATOM 0 HG11 VAL A 24 6.024 -0.496 -2.667 1.00 51.45 H new ATOM 0 HG12 VAL A 24 5.661 -0.475 -4.409 1.00 51.45 H new ATOM 0 HG13 VAL A 24 5.383 0.981 -3.425 1.00 51.45 H new ATOM 0 HG21 VAL A 24 4.207 -0.517 -1.016 1.00 11.10 H new ATOM 0 HG22 VAL A 24 3.481 0.954 -1.706 1.00 11.10 H new ATOM 0 HG23 VAL A 24 2.506 -0.526 -1.539 1.00 11.10 H new ATOM 385 N GLN A 25 3.718 0.438 -6.441 1.00 24.30 N ATOM 386 CA GLN A 25 4.195 0.112 -7.776 1.00 0.34 C ATOM 387 C GLN A 25 5.655 -0.304 -7.715 1.00 74.21 C ATOM 388 O GLN A 25 6.091 -1.214 -8.421 1.00 41.24 O ATOM 389 CB GLN A 25 4.031 1.312 -8.708 1.00 32.44 C ATOM 390 CG GLN A 25 2.584 1.728 -8.922 1.00 52.03 C ATOM 391 CD GLN A 25 1.729 0.609 -9.482 1.00 41.15 C ATOM 392 OE1 GLN A 25 1.620 0.444 -10.696 1.00 4.23 O ATOM 393 NE2 GLN A 25 1.103 -0.158 -8.604 1.00 13.14 N ATOM 0 H GLN A 25 3.653 1.437 -6.245 1.00 24.30 H new ATOM 0 HA GLN A 25 3.603 -0.716 -8.168 1.00 0.34 H new ATOM 0 HB2 GLN A 25 4.586 2.157 -8.299 1.00 32.44 H new ATOM 0 HB3 GLN A 25 4.478 1.074 -9.673 1.00 32.44 H new ATOM 0 HG2 GLN A 25 2.162 2.062 -7.974 1.00 52.03 H new ATOM 0 HG3 GLN A 25 2.552 2.579 -9.602 1.00 52.03 H new ATOM 0 HE21 GLN A 25 1.219 0.011 -7.605 1.00 13.14 H new ATOM 0 HE22 GLN A 25 0.504 -0.918 -8.926 1.00 13.14 H new ATOM 402 N ARG A 26 6.390 0.358 -6.837 1.00 2.13 N ATOM 403 CA ARG A 26 7.806 0.113 -6.666 1.00 12.12 C ATOM 404 C ARG A 26 8.299 0.845 -5.431 1.00 22.31 C ATOM 405 O ARG A 26 7.825 1.940 -5.113 1.00 34.12 O ATOM 406 CB ARG A 26 8.603 0.568 -7.895 1.00 60.52 C ATOM 407 CG ARG A 26 8.500 2.057 -8.190 1.00 43.11 C ATOM 408 CD ARG A 26 9.334 2.447 -9.399 1.00 40.23 C ATOM 409 NE ARG A 26 8.913 1.740 -10.609 1.00 71.54 N ATOM 410 CZ ARG A 26 8.866 2.295 -11.820 1.00 53.54 C ATOM 411 NH1 ARG A 26 9.210 3.567 -11.983 1.00 34.35 N ATOM 412 NH2 ARG A 26 8.475 1.572 -12.863 1.00 72.21 N ATOM 0 H ARG A 26 6.017 1.082 -6.223 1.00 2.13 H new ATOM 0 HA ARG A 26 7.958 -0.960 -6.546 1.00 12.12 H new ATOM 0 HB2 ARG A 26 9.652 0.310 -7.750 1.00 60.52 H new ATOM 0 HB3 ARG A 26 8.255 0.012 -8.766 1.00 60.52 H new ATOM 0 HG2 ARG A 26 7.457 2.322 -8.366 1.00 43.11 H new ATOM 0 HG3 ARG A 26 8.831 2.625 -7.320 1.00 43.11 H new ATOM 0 HD2 ARG A 26 9.255 3.522 -9.562 1.00 40.23 H new ATOM 0 HD3 ARG A 26 10.384 2.231 -9.200 1.00 40.23 H new ATOM 0 HE ARG A 26 8.638 0.762 -10.520 1.00 71.54 H new ATOM 0 HH11 ARG A 26 9.511 4.121 -11.181 1.00 34.35 H new ATOM 0 HH12 ARG A 26 9.174 3.990 -12.910 1.00 34.35 H new ATOM 0 HH21 ARG A 26 8.212 0.595 -12.736 1.00 72.21 H new ATOM 0 HH22 ARG A 26 8.438 1.994 -13.791 1.00 72.21 H new ATOM 426 N VAL A 27 9.210 0.215 -4.723 1.00 14.33 N ATOM 427 CA VAL A 27 9.866 0.834 -3.584 1.00 45.42 C ATOM 428 C VAL A 27 11.220 1.382 -4.017 1.00 51.22 C ATOM 429 O VAL A 27 12.217 0.663 -4.030 1.00 11.04 O ATOM 430 CB VAL A 27 10.062 -0.158 -2.415 1.00 53.11 C ATOM 431 CG1 VAL A 27 10.676 0.541 -1.210 1.00 75.22 C ATOM 432 CG2 VAL A 27 8.740 -0.812 -2.039 1.00 33.22 C ATOM 0 H VAL A 27 9.519 -0.738 -4.917 1.00 14.33 H new ATOM 0 HA VAL A 27 9.224 1.640 -3.229 1.00 45.42 H new ATOM 0 HB VAL A 27 10.750 -0.938 -2.743 1.00 53.11 H new ATOM 0 HG11 VAL A 27 10.805 -0.177 -0.400 1.00 75.22 H new ATOM 0 HG12 VAL A 27 11.646 0.956 -1.485 1.00 75.22 H new ATOM 0 HG13 VAL A 27 10.018 1.345 -0.881 1.00 75.22 H new ATOM 0 HG21 VAL A 27 8.899 -1.507 -1.214 1.00 33.22 H new ATOM 0 HG22 VAL A 27 8.028 -0.045 -1.735 1.00 33.22 H new ATOM 0 HG23 VAL A 27 8.345 -1.354 -2.898 1.00 33.22 H new ATOM 442 N SER A 28 11.244 2.644 -4.399 1.00 54.32 N ATOM 443 CA SER A 28 12.452 3.256 -4.919 1.00 64.24 C ATOM 444 C SER A 28 13.104 4.155 -3.877 1.00 55.31 C ATOM 445 O SER A 28 12.528 5.164 -3.464 1.00 44.43 O ATOM 446 CB SER A 28 12.124 4.049 -6.187 1.00 52.15 C ATOM 447 OG SER A 28 11.054 4.952 -5.961 1.00 11.23 O ATOM 0 H SER A 28 10.438 3.268 -4.359 1.00 54.32 H new ATOM 0 HA SER A 28 13.163 2.467 -5.165 1.00 64.24 H new ATOM 0 HB2 SER A 28 13.006 4.600 -6.514 1.00 52.15 H new ATOM 0 HB3 SER A 28 11.861 3.362 -6.991 1.00 52.15 H new ATOM 0 HG SER A 28 11.078 5.262 -5.032 1.00 11.23 H new ATOM 453 N ASP A 29 14.294 3.752 -3.439 1.00 4.31 N ATOM 454 CA ASP A 29 15.113 4.535 -2.513 1.00 64.12 C ATOM 455 C ASP A 29 14.404 4.746 -1.173 1.00 42.51 C ATOM 456 O ASP A 29 14.504 5.806 -0.558 1.00 21.42 O ATOM 457 CB ASP A 29 15.491 5.880 -3.140 1.00 21.41 C ATOM 458 CG ASP A 29 16.636 6.555 -2.411 1.00 60.31 C ATOM 459 OD1 ASP A 29 17.725 5.947 -2.324 1.00 31.21 O ATOM 460 OD2 ASP A 29 16.459 7.693 -1.926 1.00 24.51 O ATOM 0 H ASP A 29 14.721 2.868 -3.717 1.00 4.31 H new ATOM 0 HA ASP A 29 16.024 3.970 -2.317 1.00 64.12 H new ATOM 0 HB2 ASP A 29 15.768 5.727 -4.183 1.00 21.41 H new ATOM 0 HB3 ASP A 29 14.622 6.538 -3.134 1.00 21.41 H new ATOM 465 N GLY A 30 13.692 3.723 -0.722 1.00 12.01 N ATOM 466 CA GLY A 30 13.036 3.792 0.571 1.00 34.15 C ATOM 467 C GLY A 30 11.718 4.532 0.520 1.00 21.12 C ATOM 468 O GLY A 30 11.107 4.799 1.554 1.00 33.54 O ATOM 0 H GLY A 30 13.556 2.847 -1.226 1.00 12.01 H new ATOM 0 HA2 GLY A 30 12.866 2.781 0.942 1.00 34.15 H new ATOM 0 HA3 GLY A 30 13.697 4.285 1.283 1.00 34.15 H new ATOM 472 N LYS A 31 11.292 4.892 -0.678 1.00 35.33 N ATOM 473 CA LYS A 31 10.018 5.530 -0.880 1.00 35.23 C ATOM 474 C LYS A 31 9.142 4.640 -1.748 1.00 43.03 C ATOM 475 O LYS A 31 9.636 3.968 -2.652 1.00 22.20 O ATOM 476 CB LYS A 31 10.237 6.877 -1.551 1.00 1.10 C ATOM 477 CG LYS A 31 11.017 7.858 -0.691 1.00 14.41 C ATOM 478 CD LYS A 31 11.632 8.971 -1.521 1.00 51.03 C ATOM 479 CE LYS A 31 12.603 8.418 -2.552 1.00 35.35 C ATOM 480 NZ LYS A 31 13.359 9.493 -3.242 1.00 62.22 N ATOM 0 H LYS A 31 11.826 4.747 -1.535 1.00 35.33 H new ATOM 0 HA LYS A 31 9.520 5.687 0.077 1.00 35.23 H new ATOM 0 HB2 LYS A 31 10.769 6.725 -2.490 1.00 1.10 H new ATOM 0 HB3 LYS A 31 9.269 7.313 -1.800 1.00 1.10 H new ATOM 0 HG2 LYS A 31 10.355 8.288 0.061 1.00 14.41 H new ATOM 0 HG3 LYS A 31 11.804 7.326 -0.156 1.00 14.41 H new ATOM 0 HD2 LYS A 31 10.844 9.531 -2.024 1.00 51.03 H new ATOM 0 HD3 LYS A 31 12.152 9.671 -0.867 1.00 51.03 H new ATOM 0 HE2 LYS A 31 13.303 7.740 -2.063 1.00 35.35 H new ATOM 0 HE3 LYS A 31 12.054 7.832 -3.289 1.00 35.35 H new ATOM 0 HZ1 LYS A 31 14.009 9.070 -3.936 1.00 62.22 H new ATOM 0 HZ2 LYS A 31 12.694 10.126 -3.731 1.00 62.22 H new ATOM 0 HZ3 LYS A 31 13.905 10.037 -2.543 1.00 62.22 H new ATOM 494 N ALA A 32 7.856 4.638 -1.479 1.00 75.12 N ATOM 495 CA ALA A 32 6.945 3.742 -2.169 1.00 63.33 C ATOM 496 C ALA A 32 5.969 4.516 -3.036 1.00 40.54 C ATOM 497 O ALA A 32 5.263 5.402 -2.553 1.00 13.04 O ATOM 498 CB ALA A 32 6.192 2.878 -1.171 1.00 74.32 C ATOM 0 H ALA A 32 7.414 5.245 -0.789 1.00 75.12 H new ATOM 0 HA ALA A 32 7.537 3.096 -2.818 1.00 63.33 H new ATOM 0 HB1 ALA A 32 5.514 2.212 -1.705 1.00 74.32 H new ATOM 0 HB2 ALA A 32 6.902 2.286 -0.594 1.00 74.32 H new ATOM 0 HB3 ALA A 32 5.619 3.515 -0.497 1.00 74.32 H new ATOM 504 N ALA A 33 5.935 4.185 -4.318 1.00 63.54 N ATOM 505 CA ALA A 33 4.988 4.802 -5.229 1.00 24.32 C ATOM 506 C ALA A 33 3.643 4.103 -5.103 1.00 22.15 C ATOM 507 O ALA A 33 3.454 3.007 -5.629 1.00 24.14 O ATOM 508 CB ALA A 33 5.501 4.737 -6.659 1.00 5.11 C ATOM 0 H ALA A 33 6.551 3.495 -4.748 1.00 63.54 H new ATOM 0 HA ALA A 33 4.868 5.854 -4.968 1.00 24.32 H new ATOM 0 HB1 ALA A 33 4.777 5.204 -7.327 1.00 5.11 H new ATOM 0 HB2 ALA A 33 6.452 5.264 -6.729 1.00 5.11 H new ATOM 0 HB3 ALA A 33 5.641 3.695 -6.948 1.00 5.11 H new ATOM 514 N VAL A 34 2.725 4.723 -4.380 1.00 53.43 N ATOM 515 CA VAL A 34 1.446 4.106 -4.081 1.00 33.31 C ATOM 516 C VAL A 34 0.405 4.481 -5.127 1.00 21.20 C ATOM 517 O VAL A 34 0.123 5.660 -5.350 1.00 71.13 O ATOM 518 CB VAL A 34 0.947 4.520 -2.681 1.00 53.03 C ATOM 519 CG1 VAL A 34 -0.338 3.791 -2.323 1.00 64.22 C ATOM 520 CG2 VAL A 34 2.020 4.259 -1.636 1.00 31.35 C ATOM 0 H VAL A 34 2.844 5.657 -3.988 1.00 53.43 H new ATOM 0 HA VAL A 34 1.591 3.026 -4.098 1.00 33.31 H new ATOM 0 HB VAL A 34 0.733 5.589 -2.699 1.00 53.03 H new ATOM 0 HG11 VAL A 34 -0.668 4.101 -1.332 1.00 64.22 H new ATOM 0 HG12 VAL A 34 -1.109 4.033 -3.054 1.00 64.22 H new ATOM 0 HG13 VAL A 34 -0.159 2.716 -2.326 1.00 64.22 H new ATOM 0 HG21 VAL A 34 1.652 4.557 -0.654 1.00 31.35 H new ATOM 0 HG22 VAL A 34 2.266 3.197 -1.625 1.00 31.35 H new ATOM 0 HG23 VAL A 34 2.912 4.836 -1.879 1.00 31.35 H new ATOM 530 N LEU A 35 -0.148 3.472 -5.775 1.00 3.02 N ATOM 531 CA LEU A 35 -1.164 3.684 -6.789 1.00 21.33 C ATOM 532 C LEU A 35 -2.551 3.644 -6.169 1.00 40.41 C ATOM 533 O LEU A 35 -2.901 2.687 -5.474 1.00 52.03 O ATOM 534 CB LEU A 35 -1.059 2.609 -7.867 1.00 11.13 C ATOM 535 CG LEU A 35 -1.968 2.802 -9.078 1.00 63.12 C ATOM 536 CD1 LEU A 35 -1.606 4.077 -9.827 1.00 0.33 C ATOM 537 CD2 LEU A 35 -1.886 1.595 -10.000 1.00 43.02 C ATOM 0 H LEU A 35 0.091 2.493 -5.616 1.00 3.02 H new ATOM 0 HA LEU A 35 -1.003 4.665 -7.237 1.00 21.33 H new ATOM 0 HB2 LEU A 35 -0.026 2.566 -8.213 1.00 11.13 H new ATOM 0 HB3 LEU A 35 -1.285 1.643 -7.415 1.00 11.13 H new ATOM 0 HG LEU A 35 -2.995 2.897 -8.725 1.00 63.12 H new ATOM 0 HD11 LEU A 35 -2.267 4.194 -10.686 1.00 0.33 H new ATOM 0 HD12 LEU A 35 -1.719 4.934 -9.163 1.00 0.33 H new ATOM 0 HD13 LEU A 35 -0.573 4.017 -10.169 1.00 0.33 H new ATOM 0 HD21 LEU A 35 -2.540 1.748 -10.859 1.00 43.02 H new ATOM 0 HD22 LEU A 35 -0.859 1.469 -10.344 1.00 43.02 H new ATOM 0 HD23 LEU A 35 -2.200 0.702 -9.459 1.00 43.02 H new ATOM 549 N PHE A 36 -3.328 4.681 -6.414 1.00 13.20 N ATOM 550 CA PHE A 36 -4.696 4.733 -5.933 1.00 11.50 C ATOM 551 C PHE A 36 -5.669 4.612 -7.091 1.00 74.51 C ATOM 552 O PHE A 36 -5.424 5.130 -8.184 1.00 72.42 O ATOM 553 CB PHE A 36 -4.965 6.032 -5.172 1.00 53.42 C ATOM 554 CG PHE A 36 -4.137 6.201 -3.932 1.00 22.12 C ATOM 555 CD1 PHE A 36 -4.498 5.569 -2.754 1.00 0.14 C ATOM 556 CD2 PHE A 36 -3.005 6.998 -3.943 1.00 11.04 C ATOM 557 CE1 PHE A 36 -3.745 5.729 -1.608 1.00 31.25 C ATOM 558 CE2 PHE A 36 -2.248 7.162 -2.800 1.00 43.21 C ATOM 559 CZ PHE A 36 -2.619 6.526 -1.631 1.00 41.33 C ATOM 0 H PHE A 36 -3.035 5.501 -6.945 1.00 13.20 H new ATOM 0 HA PHE A 36 -4.839 3.895 -5.251 1.00 11.50 H new ATOM 0 HB2 PHE A 36 -4.779 6.875 -5.837 1.00 53.42 H new ATOM 0 HB3 PHE A 36 -6.020 6.068 -4.899 1.00 53.42 H new ATOM 0 HD1 PHE A 36 -5.378 4.944 -2.731 1.00 0.14 H new ATOM 0 HD2 PHE A 36 -2.711 7.496 -4.855 1.00 11.04 H new ATOM 0 HE1 PHE A 36 -4.037 5.231 -0.695 1.00 31.25 H new ATOM 0 HE2 PHE A 36 -1.367 7.787 -2.820 1.00 43.21 H new ATOM 0 HZ PHE A 36 -2.028 6.653 -0.736 1.00 41.33 H new ATOM 569 N GLU A 37 -6.767 3.932 -6.837 1.00 34.31 N ATOM 570 CA GLU A 37 -7.810 3.750 -7.830 1.00 22.10 C ATOM 571 C GLU A 37 -9.166 3.931 -7.167 1.00 74.54 C ATOM 572 O GLU A 37 -9.433 3.341 -6.117 1.00 33.21 O ATOM 573 CB GLU A 37 -7.708 2.360 -8.470 1.00 73.41 C ATOM 574 CG GLU A 37 -8.677 2.137 -9.626 1.00 1.03 C ATOM 575 CD GLU A 37 -8.556 0.752 -10.232 1.00 14.02 C ATOM 576 OE1 GLU A 37 -7.551 0.482 -10.922 1.00 4.12 O ATOM 577 OE2 GLU A 37 -9.468 -0.079 -10.024 1.00 2.22 O ATOM 0 H GLU A 37 -6.964 3.490 -5.939 1.00 34.31 H new ATOM 0 HA GLU A 37 -7.690 4.493 -8.619 1.00 22.10 H new ATOM 0 HB2 GLU A 37 -6.690 2.210 -8.829 1.00 73.41 H new ATOM 0 HB3 GLU A 37 -7.891 1.605 -7.705 1.00 73.41 H new ATOM 0 HG2 GLU A 37 -9.697 2.287 -9.273 1.00 1.03 H new ATOM 0 HG3 GLU A 37 -8.493 2.884 -10.398 1.00 1.03 H new ATOM 584 N ASN A 38 -10.005 4.767 -7.754 1.00 24.30 N ATOM 585 CA ASN A 38 -11.339 5.010 -7.221 1.00 71.13 C ATOM 586 C ASN A 38 -12.363 5.008 -8.343 1.00 51.11 C ATOM 587 O ASN A 38 -12.658 6.052 -8.928 1.00 24.21 O ATOM 588 CB ASN A 38 -11.398 6.341 -6.468 1.00 52.53 C ATOM 589 CG ASN A 38 -12.735 6.565 -5.784 1.00 31.21 C ATOM 590 OD1 ASN A 38 -13.374 5.626 -5.317 1.00 34.53 O ATOM 591 ND2 ASN A 38 -13.175 7.810 -5.744 1.00 5.40 N ATOM 0 H ASN A 38 -9.788 5.291 -8.602 1.00 24.30 H new ATOM 0 HA ASN A 38 -11.571 4.208 -6.521 1.00 71.13 H new ATOM 0 HB2 ASN A 38 -10.603 6.368 -5.722 1.00 52.53 H new ATOM 0 HB3 ASN A 38 -11.209 7.157 -7.165 1.00 52.53 H new ATOM 0 HD21 ASN A 38 -14.076 8.019 -5.314 1.00 5.40 H new ATOM 0 HD22 ASN A 38 -12.614 8.562 -6.143 1.00 5.40 H new ATOM 598 N GLY A 39 -12.872 3.828 -8.661 1.00 32.15 N ATOM 599 CA GLY A 39 -13.867 3.694 -9.709 1.00 52.24 C ATOM 600 C GLY A 39 -13.287 3.911 -11.094 1.00 71.41 C ATOM 601 O GLY A 39 -13.042 2.954 -11.833 1.00 13.34 O ATOM 0 H GLY A 39 -12.612 2.952 -8.208 1.00 32.15 H new ATOM 0 HA2 GLY A 39 -14.313 2.701 -9.657 1.00 52.24 H new ATOM 0 HA3 GLY A 39 -14.669 4.412 -9.538 1.00 52.24 H new ATOM 605 N ASN A 40 -13.079 5.169 -11.443 1.00 43.54 N ATOM 606 CA ASN A 40 -12.516 5.535 -12.737 1.00 24.21 C ATOM 607 C ASN A 40 -11.333 6.477 -12.521 1.00 24.14 C ATOM 608 O ASN A 40 -10.634 6.861 -13.455 1.00 21.15 O ATOM 609 CB ASN A 40 -13.596 6.212 -13.589 1.00 40.41 C ATOM 610 CG ASN A 40 -13.305 6.187 -15.082 1.00 4.43 C ATOM 611 OD1 ASN A 40 -12.154 6.199 -15.517 1.00 22.11 O ATOM 612 ND2 ASN A 40 -14.358 6.157 -15.884 1.00 40.24 N ATOM 0 H ASN A 40 -13.294 5.965 -10.842 1.00 43.54 H new ATOM 0 HA ASN A 40 -12.167 4.644 -13.259 1.00 24.21 H new ATOM 0 HB2 ASN A 40 -14.551 5.720 -13.406 1.00 40.41 H new ATOM 0 HB3 ASN A 40 -13.704 7.248 -13.267 1.00 40.41 H new ATOM 0 HD21 ASN A 40 -14.228 6.143 -16.896 1.00 40.24 H new ATOM 0 HD22 ASN A 40 -15.299 6.148 -15.490 1.00 40.24 H new ATOM 619 N TRP A 41 -11.117 6.847 -11.271 1.00 60.44 N ATOM 620 CA TRP A 41 -10.040 7.755 -10.915 1.00 4.24 C ATOM 621 C TRP A 41 -8.764 6.992 -10.606 1.00 31.14 C ATOM 622 O TRP A 41 -8.788 5.956 -9.940 1.00 63.44 O ATOM 623 CB TRP A 41 -10.459 8.612 -9.724 1.00 55.31 C ATOM 624 CG TRP A 41 -9.384 9.497 -9.174 1.00 62.41 C ATOM 625 CD1 TRP A 41 -8.968 10.693 -9.683 1.00 45.34 C ATOM 626 CD2 TRP A 41 -8.614 9.275 -7.986 1.00 20.33 C ATOM 627 NE1 TRP A 41 -7.979 11.221 -8.893 1.00 73.21 N ATOM 628 CE2 TRP A 41 -7.744 10.370 -7.845 1.00 72.13 C ATOM 629 CE3 TRP A 41 -8.572 8.253 -7.031 1.00 15.11 C ATOM 630 CZ2 TRP A 41 -6.848 10.475 -6.786 1.00 24.20 C ATOM 631 CZ3 TRP A 41 -7.679 8.358 -5.981 1.00 31.33 C ATOM 632 CH2 TRP A 41 -6.829 9.461 -5.866 1.00 13.24 C ATOM 0 H TRP A 41 -11.678 6.530 -10.480 1.00 60.44 H new ATOM 0 HA TRP A 41 -9.838 8.406 -11.765 1.00 4.24 H new ATOM 0 HB2 TRP A 41 -11.304 9.233 -10.022 1.00 55.31 H new ATOM 0 HB3 TRP A 41 -10.811 7.955 -8.928 1.00 55.31 H new ATOM 0 HD1 TRP A 41 -9.360 11.156 -10.577 1.00 45.34 H new ATOM 0 HE1 TRP A 41 -7.496 12.104 -9.059 1.00 73.21 H new ATOM 0 HE3 TRP A 41 -9.226 7.397 -7.113 1.00 15.11 H new ATOM 0 HZ2 TRP A 41 -6.190 11.327 -6.693 1.00 24.20 H new ATOM 0 HZ3 TRP A 41 -7.638 7.575 -5.238 1.00 31.33 H new ATOM 0 HH2 TRP A 41 -6.143 9.515 -5.034 1.00 13.24 H new ATOM 643 N ASP A 42 -7.659 7.528 -11.094 1.00 5.30 N ATOM 644 CA ASP A 42 -6.342 6.928 -10.896 1.00 23.33 C ATOM 645 C ASP A 42 -5.344 8.000 -10.490 1.00 5.24 C ATOM 646 O ASP A 42 -5.437 9.146 -10.941 1.00 24.41 O ATOM 647 CB ASP A 42 -5.824 6.252 -12.172 1.00 64.34 C ATOM 648 CG ASP A 42 -6.658 5.073 -12.631 1.00 21.44 C ATOM 649 OD1 ASP A 42 -7.607 5.276 -13.421 1.00 2.50 O ATOM 650 OD2 ASP A 42 -6.335 3.926 -12.250 1.00 31.31 O ATOM 0 H ASP A 42 -7.644 8.390 -11.639 1.00 5.30 H new ATOM 0 HA ASP A 42 -6.445 6.175 -10.115 1.00 23.33 H new ATOM 0 HB2 ASP A 42 -5.788 6.991 -12.972 1.00 64.34 H new ATOM 0 HB3 ASP A 42 -4.801 5.915 -12.002 1.00 64.34 H new ATOM 655 N LYS A 43 -4.392 7.629 -9.653 1.00 62.11 N ATOM 656 CA LYS A 43 -3.338 8.547 -9.240 1.00 55.13 C ATOM 657 C LYS A 43 -2.197 7.803 -8.558 1.00 11.45 C ATOM 658 O LYS A 43 -2.420 6.911 -7.741 1.00 20.55 O ATOM 659 CB LYS A 43 -3.890 9.633 -8.308 1.00 4.41 C ATOM 660 CG LYS A 43 -2.821 10.576 -7.775 1.00 52.33 C ATOM 661 CD LYS A 43 -3.419 11.798 -7.096 1.00 5.32 C ATOM 662 CE LYS A 43 -3.963 12.790 -8.112 1.00 41.12 C ATOM 663 NZ LYS A 43 -4.432 14.047 -7.469 1.00 72.22 N ATOM 0 H LYS A 43 -4.324 6.697 -9.244 1.00 62.11 H new ATOM 0 HA LYS A 43 -2.949 9.025 -10.139 1.00 55.13 H new ATOM 0 HB2 LYS A 43 -4.641 10.213 -8.844 1.00 4.41 H new ATOM 0 HB3 LYS A 43 -4.395 9.157 -7.468 1.00 4.41 H new ATOM 0 HG2 LYS A 43 -2.189 10.042 -7.066 1.00 52.33 H new ATOM 0 HG3 LYS A 43 -2.179 10.896 -8.596 1.00 52.33 H new ATOM 0 HD2 LYS A 43 -4.220 11.487 -6.425 1.00 5.32 H new ATOM 0 HD3 LYS A 43 -2.659 12.283 -6.483 1.00 5.32 H new ATOM 0 HE2 LYS A 43 -3.187 13.024 -8.841 1.00 41.12 H new ATOM 0 HE3 LYS A 43 -4.788 12.333 -8.659 1.00 41.12 H new ATOM 0 HZ1 LYS A 43 -4.795 14.695 -8.197 1.00 72.22 H new ATOM 0 HZ2 LYS A 43 -5.190 13.828 -6.791 1.00 72.22 H new ATOM 0 HZ3 LYS A 43 -3.640 14.498 -6.968 1.00 72.22 H new ATOM 677 N LEU A 44 -0.979 8.175 -8.917 1.00 5.30 N ATOM 678 CA LEU A 44 0.213 7.591 -8.329 1.00 0.53 C ATOM 679 C LEU A 44 0.868 8.584 -7.375 1.00 13.00 C ATOM 680 O LEU A 44 1.420 9.599 -7.804 1.00 24.42 O ATOM 681 CB LEU A 44 1.198 7.198 -9.432 1.00 75.35 C ATOM 682 CG LEU A 44 2.492 6.547 -8.945 1.00 51.35 C ATOM 683 CD1 LEU A 44 2.207 5.197 -8.308 1.00 2.42 C ATOM 684 CD2 LEU A 44 3.479 6.393 -10.090 1.00 31.24 C ATOM 0 H LEU A 44 -0.790 8.888 -9.622 1.00 5.30 H new ATOM 0 HA LEU A 44 -0.069 6.699 -7.769 1.00 0.53 H new ATOM 0 HB2 LEU A 44 0.699 6.511 -10.115 1.00 75.35 H new ATOM 0 HB3 LEU A 44 1.452 8.090 -10.005 1.00 75.35 H new ATOM 0 HG LEU A 44 2.936 7.197 -8.191 1.00 51.35 H new ATOM 0 HD11 LEU A 44 3.141 4.751 -7.968 1.00 2.42 H new ATOM 0 HD12 LEU A 44 1.538 5.330 -7.458 1.00 2.42 H new ATOM 0 HD13 LEU A 44 1.737 4.541 -9.041 1.00 2.42 H new ATOM 0 HD21 LEU A 44 4.393 5.928 -9.722 1.00 31.24 H new ATOM 0 HD22 LEU A 44 3.040 5.767 -10.867 1.00 31.24 H new ATOM 0 HD23 LEU A 44 3.712 7.374 -10.504 1.00 31.24 H new ATOM 696 N VAL A 45 0.794 8.304 -6.084 1.00 14.53 N ATOM 697 CA VAL A 45 1.378 9.185 -5.087 1.00 20.31 C ATOM 698 C VAL A 45 2.498 8.472 -4.344 1.00 1.31 C ATOM 699 O VAL A 45 2.276 7.448 -3.696 1.00 22.51 O ATOM 700 CB VAL A 45 0.330 9.683 -4.068 1.00 72.24 C ATOM 701 CG1 VAL A 45 0.936 10.723 -3.137 1.00 0.43 C ATOM 702 CG2 VAL A 45 -0.897 10.243 -4.774 1.00 3.02 C ATOM 0 H VAL A 45 0.337 7.476 -5.703 1.00 14.53 H new ATOM 0 HA VAL A 45 1.774 10.050 -5.618 1.00 20.31 H new ATOM 0 HB VAL A 45 0.013 8.830 -3.469 1.00 72.24 H new ATOM 0 HG11 VAL A 45 0.181 11.060 -2.427 1.00 0.43 H new ATOM 0 HG12 VAL A 45 1.772 10.282 -2.595 1.00 0.43 H new ATOM 0 HG13 VAL A 45 1.290 11.572 -3.721 1.00 0.43 H new ATOM 0 HG21 VAL A 45 -1.618 10.586 -4.032 1.00 3.02 H new ATOM 0 HG22 VAL A 45 -0.602 11.079 -5.408 1.00 3.02 H new ATOM 0 HG23 VAL A 45 -1.350 9.465 -5.388 1.00 3.02 H new ATOM 712 N THR A 46 3.703 8.998 -4.462 1.00 21.30 N ATOM 713 CA THR A 46 4.846 8.434 -3.779 1.00 45.05 C ATOM 714 C THR A 46 4.854 8.849 -2.311 1.00 45.22 C ATOM 715 O THR A 46 4.761 10.036 -1.984 1.00 44.21 O ATOM 716 CB THR A 46 6.156 8.892 -4.435 1.00 20.23 C ATOM 717 OG1 THR A 46 5.968 9.038 -5.853 1.00 20.10 O ATOM 718 CG2 THR A 46 7.271 7.892 -4.168 1.00 51.01 C ATOM 0 H THR A 46 3.913 9.820 -5.029 1.00 21.30 H new ATOM 0 HA THR A 46 4.769 7.349 -3.850 1.00 45.05 H new ATOM 0 HB THR A 46 6.439 9.852 -4.004 1.00 20.23 H new ATOM 0 HG1 THR A 46 6.807 9.332 -6.266 1.00 20.10 H new ATOM 0 HG21 THR A 46 8.190 8.237 -4.642 1.00 51.01 H new ATOM 0 HG22 THR A 46 7.429 7.801 -3.093 1.00 51.01 H new ATOM 0 HG23 THR A 46 6.994 6.920 -4.577 1.00 51.01 H new ATOM 726 N PHE A 47 4.968 7.868 -1.439 1.00 60.41 N ATOM 727 CA PHE A 47 5.014 8.107 -0.005 1.00 22.21 C ATOM 728 C PHE A 47 6.288 7.529 0.581 1.00 73.42 C ATOM 729 O PHE A 47 7.097 6.928 -0.126 1.00 2.32 O ATOM 730 CB PHE A 47 3.809 7.485 0.708 1.00 0.24 C ATOM 731 CG PHE A 47 2.497 8.153 0.421 1.00 22.24 C ATOM 732 CD1 PHE A 47 2.191 9.378 0.990 1.00 21.24 C ATOM 733 CD2 PHE A 47 1.562 7.547 -0.398 1.00 60.31 C ATOM 734 CE1 PHE A 47 0.978 9.988 0.743 1.00 13.12 C ATOM 735 CE2 PHE A 47 0.349 8.153 -0.651 1.00 34.31 C ATOM 736 CZ PHE A 47 0.056 9.375 -0.079 1.00 41.55 C ATOM 0 H PHE A 47 5.031 6.884 -1.700 1.00 60.41 H new ATOM 0 HA PHE A 47 4.989 9.186 0.147 1.00 22.21 H new ATOM 0 HB2 PHE A 47 3.737 6.436 0.422 1.00 0.24 H new ATOM 0 HB3 PHE A 47 3.987 7.511 1.783 1.00 0.24 H new ATOM 0 HD1 PHE A 47 2.910 9.862 1.635 1.00 21.24 H new ATOM 0 HD2 PHE A 47 1.784 6.589 -0.844 1.00 60.31 H new ATOM 0 HE1 PHE A 47 0.751 10.943 1.193 1.00 13.12 H new ATOM 0 HE2 PHE A 47 -0.371 7.672 -1.296 1.00 34.31 H new ATOM 0 HZ PHE A 47 -0.894 9.850 -0.275 1.00 41.55 H new ATOM 746 N ARG A 48 6.457 7.700 1.877 1.00 5.53 N ATOM 747 CA ARG A 48 7.605 7.163 2.568 1.00 5.20 C ATOM 748 C ARG A 48 7.202 5.861 3.242 1.00 61.33 C ATOM 749 O ARG A 48 6.033 5.670 3.567 1.00 14.23 O ATOM 750 CB ARG A 48 8.125 8.145 3.625 1.00 61.21 C ATOM 751 CG ARG A 48 8.250 9.595 3.160 1.00 1.13 C ATOM 752 CD ARG A 48 6.907 10.318 3.198 1.00 42.45 C ATOM 753 NE ARG A 48 7.045 11.769 3.071 1.00 65.41 N ATOM 754 CZ ARG A 48 6.019 12.603 2.896 1.00 1.01 C ATOM 755 NH1 ARG A 48 4.793 12.127 2.728 1.00 22.31 N ATOM 756 NH2 ARG A 48 6.224 13.915 2.877 1.00 74.32 N ATOM 0 H ARG A 48 5.807 8.211 2.474 1.00 5.53 H new ATOM 0 HA ARG A 48 8.402 6.991 1.845 1.00 5.20 H new ATOM 0 HB2 ARG A 48 7.458 8.113 4.487 1.00 61.21 H new ATOM 0 HB3 ARG A 48 9.103 7.804 3.965 1.00 61.21 H new ATOM 0 HG2 ARG A 48 8.964 10.120 3.794 1.00 1.13 H new ATOM 0 HG3 ARG A 48 8.647 9.619 2.145 1.00 1.13 H new ATOM 0 HD2 ARG A 48 6.275 9.945 2.392 1.00 42.45 H new ATOM 0 HD3 ARG A 48 6.400 10.086 4.134 1.00 42.45 H new ATOM 0 HE ARG A 48 7.983 12.167 3.119 1.00 65.41 H new ATOM 0 HH11 ARG A 48 4.632 11.120 2.732 1.00 22.31 H new ATOM 0 HH12 ARG A 48 4.011 12.768 2.594 1.00 22.31 H new ATOM 0 HH21 ARG A 48 7.167 14.286 2.996 1.00 74.32 H new ATOM 0 HH22 ARG A 48 5.439 14.552 2.743 1.00 74.32 H new ATOM 770 N LEU A 49 8.163 4.987 3.473 1.00 14.53 N ATOM 771 CA LEU A 49 7.887 3.699 4.101 1.00 51.11 C ATOM 772 C LEU A 49 7.591 3.910 5.574 1.00 43.23 C ATOM 773 O LEU A 49 6.775 3.212 6.170 1.00 12.32 O ATOM 774 CB LEU A 49 9.072 2.743 3.941 1.00 55.31 C ATOM 775 CG LEU A 49 9.461 2.408 2.499 1.00 64.21 C ATOM 776 CD1 LEU A 49 10.634 1.438 2.477 1.00 2.24 C ATOM 777 CD2 LEU A 49 8.277 1.832 1.737 1.00 34.45 C ATOM 0 H LEU A 49 9.143 5.141 3.237 1.00 14.53 H new ATOM 0 HA LEU A 49 7.023 3.252 3.610 1.00 51.11 H new ATOM 0 HB2 LEU A 49 9.937 3.179 4.440 1.00 55.31 H new ATOM 0 HB3 LEU A 49 8.839 1.814 4.461 1.00 55.31 H new ATOM 0 HG LEU A 49 9.764 3.331 2.005 1.00 64.21 H new ATOM 0 HD11 LEU A 49 10.898 1.210 1.444 1.00 2.24 H new ATOM 0 HD12 LEU A 49 11.489 1.890 2.979 1.00 2.24 H new ATOM 0 HD13 LEU A 49 10.355 0.518 2.992 1.00 2.24 H new ATOM 0 HD21 LEU A 49 8.579 1.602 0.715 1.00 34.45 H new ATOM 0 HD22 LEU A 49 7.937 0.921 2.228 1.00 34.45 H new ATOM 0 HD23 LEU A 49 7.466 2.560 1.721 1.00 34.45 H new ATOM 789 N SER A 50 8.248 4.912 6.139 1.00 54.13 N ATOM 790 CA SER A 50 8.039 5.296 7.522 1.00 2.22 C ATOM 791 C SER A 50 6.675 5.955 7.700 1.00 61.44 C ATOM 792 O SER A 50 6.208 6.160 8.824 1.00 32.11 O ATOM 793 CB SER A 50 9.150 6.254 7.942 1.00 54.02 C ATOM 794 OG SER A 50 9.377 7.233 6.936 1.00 40.14 O ATOM 0 H SER A 50 8.940 5.480 5.650 1.00 54.13 H new ATOM 0 HA SER A 50 8.064 4.406 8.151 1.00 2.22 H new ATOM 0 HB2 SER A 50 8.881 6.743 8.878 1.00 54.02 H new ATOM 0 HB3 SER A 50 10.068 5.696 8.127 1.00 54.02 H new ATOM 0 HG SER A 50 8.718 7.953 7.026 1.00 40.14 H new ATOM 800 N GLU A 51 6.044 6.292 6.578 1.00 72.42 N ATOM 801 CA GLU A 51 4.746 6.964 6.598 1.00 71.12 C ATOM 802 C GLU A 51 3.621 6.028 6.155 1.00 53.02 C ATOM 803 O GLU A 51 2.476 6.456 5.993 1.00 0.01 O ATOM 804 CB GLU A 51 4.773 8.208 5.701 1.00 33.14 C ATOM 805 CG GLU A 51 5.210 9.488 6.407 1.00 40.43 C ATOM 806 CD GLU A 51 6.534 9.363 7.132 1.00 11.53 C ATOM 807 OE1 GLU A 51 7.552 9.074 6.478 1.00 0.51 O ATOM 808 OE2 GLU A 51 6.565 9.570 8.362 1.00 31.13 O ATOM 0 H GLU A 51 6.410 6.111 5.643 1.00 72.42 H new ATOM 0 HA GLU A 51 4.549 7.266 7.627 1.00 71.12 H new ATOM 0 HB2 GLU A 51 5.446 8.022 4.864 1.00 33.14 H new ATOM 0 HB3 GLU A 51 3.778 8.360 5.283 1.00 33.14 H new ATOM 0 HG2 GLU A 51 5.282 10.290 5.673 1.00 40.43 H new ATOM 0 HG3 GLU A 51 4.440 9.779 7.122 1.00 40.43 H new ATOM 815 N LEU A 52 3.939 4.754 5.969 1.00 73.14 N ATOM 816 CA LEU A 52 2.958 3.793 5.500 1.00 12.44 C ATOM 817 C LEU A 52 2.792 2.640 6.478 1.00 15.24 C ATOM 818 O LEU A 52 3.743 2.229 7.145 1.00 1.12 O ATOM 819 CB LEU A 52 3.367 3.254 4.130 1.00 14.31 C ATOM 820 CG LEU A 52 3.339 4.275 2.995 1.00 14.03 C ATOM 821 CD1 LEU A 52 3.840 3.649 1.705 1.00 2.21 C ATOM 822 CD2 LEU A 52 1.935 4.825 2.807 1.00 54.35 C ATOM 0 H LEU A 52 4.867 4.366 6.136 1.00 73.14 H new ATOM 0 HA LEU A 52 2.000 4.308 5.420 1.00 12.44 H new ATOM 0 HB2 LEU A 52 4.375 2.845 4.204 1.00 14.31 H new ATOM 0 HB3 LEU A 52 2.706 2.427 3.870 1.00 14.31 H new ATOM 0 HG LEU A 52 4.000 5.100 3.259 1.00 14.03 H new ATOM 0 HD11 LEU A 52 3.813 4.390 0.906 1.00 2.21 H new ATOM 0 HD12 LEU A 52 4.864 3.301 1.843 1.00 2.21 H new ATOM 0 HD13 LEU A 52 3.203 2.806 1.438 1.00 2.21 H new ATOM 0 HD21 LEU A 52 1.934 5.551 1.994 1.00 54.35 H new ATOM 0 HD22 LEU A 52 1.254 4.009 2.565 1.00 54.35 H new ATOM 0 HD23 LEU A 52 1.608 5.310 3.727 1.00 54.35 H new ATOM 834 N GLU A 53 1.574 2.132 6.564 1.00 22.22 N ATOM 835 CA GLU A 53 1.282 0.962 7.366 1.00 32.22 C ATOM 836 C GLU A 53 1.150 -0.243 6.447 1.00 3.40 C ATOM 837 O GLU A 53 0.197 -0.342 5.671 1.00 13.05 O ATOM 838 CB GLU A 53 -0.009 1.172 8.167 1.00 13.34 C ATOM 839 CG GLU A 53 -0.398 -0.014 9.039 1.00 40.34 C ATOM 840 CD GLU A 53 -1.681 0.221 9.812 1.00 12.02 C ATOM 841 OE1 GLU A 53 -1.613 0.784 10.927 1.00 3.01 O ATOM 842 OE2 GLU A 53 -2.763 -0.166 9.315 1.00 15.45 O ATOM 0 H GLU A 53 0.764 2.520 6.080 1.00 22.22 H new ATOM 0 HA GLU A 53 2.092 0.792 8.075 1.00 32.22 H new ATOM 0 HB2 GLU A 53 0.107 2.052 8.800 1.00 13.34 H new ATOM 0 HB3 GLU A 53 -0.824 1.383 7.474 1.00 13.34 H new ATOM 0 HG2 GLU A 53 -0.514 -0.898 8.412 1.00 40.34 H new ATOM 0 HG3 GLU A 53 0.410 -0.224 9.740 1.00 40.34 H new ATOM 849 N ALA A 54 2.134 -1.127 6.498 1.00 4.13 N ATOM 850 CA ALA A 54 2.106 -2.337 5.695 1.00 3.35 C ATOM 851 C ALA A 54 1.007 -3.264 6.189 1.00 51.21 C ATOM 852 O ALA A 54 0.965 -3.617 7.367 1.00 43.02 O ATOM 853 CB ALA A 54 3.456 -3.037 5.736 1.00 12.01 C ATOM 0 H ALA A 54 2.961 -1.028 7.087 1.00 4.13 H new ATOM 0 HA ALA A 54 1.896 -2.066 4.660 1.00 3.35 H new ATOM 0 HB1 ALA A 54 3.416 -3.941 5.129 1.00 12.01 H new ATOM 0 HB2 ALA A 54 4.224 -2.370 5.343 1.00 12.01 H new ATOM 0 HB3 ALA A 54 3.697 -3.302 6.765 1.00 12.01 H new ATOM 859 N VAL A 55 0.111 -3.638 5.292 1.00 22.40 N ATOM 860 CA VAL A 55 -1.001 -4.505 5.644 1.00 22.25 C ATOM 861 C VAL A 55 -0.523 -5.953 5.726 1.00 43.23 C ATOM 862 O VAL A 55 0.604 -6.272 5.339 1.00 21.20 O ATOM 863 CB VAL A 55 -2.152 -4.402 4.617 1.00 65.52 C ATOM 864 CG1 VAL A 55 -3.461 -4.914 5.203 1.00 33.52 C ATOM 865 CG2 VAL A 55 -2.313 -2.972 4.120 1.00 60.11 C ATOM 0 H VAL A 55 0.132 -3.354 4.312 1.00 22.40 H new ATOM 0 HA VAL A 55 -1.380 -4.181 6.613 1.00 22.25 H new ATOM 0 HB VAL A 55 -1.892 -5.033 3.767 1.00 65.52 H new ATOM 0 HG11 VAL A 55 -4.251 -4.829 4.457 1.00 33.52 H new ATOM 0 HG12 VAL A 55 -3.346 -5.959 5.492 1.00 33.52 H new ATOM 0 HG13 VAL A 55 -3.724 -4.322 6.079 1.00 33.52 H new ATOM 0 HG21 VAL A 55 -3.129 -2.927 3.399 1.00 60.11 H new ATOM 0 HG22 VAL A 55 -2.537 -2.317 4.962 1.00 60.11 H new ATOM 0 HG23 VAL A 55 -1.389 -2.646 3.643 1.00 60.11 H new