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 180:sc= 0.0376 USER MOD Single : A 12 ASN : amide:sc= 0.511 K(o=0.51,f=-5.9!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 110:sc= -1.15 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.638 X(o=-0.64,f=-0.16) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.079) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 84:sc= 0.537 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 8.010 -4.489 2.899 1.00 35.44 N ATOM 21 CA ILE A 2 7.006 -4.132 1.908 1.00 2.23 C ATOM 22 C ILE A 2 7.631 -4.174 0.518 1.00 75.22 C ATOM 23 O ILE A 2 8.792 -3.803 0.345 1.00 11.14 O ATOM 24 CB ILE A 2 6.416 -2.726 2.168 1.00 20.42 C ATOM 25 CG1 ILE A 2 5.867 -2.628 3.597 1.00 44.32 C ATOM 26 CG2 ILE A 2 5.317 -2.412 1.160 1.00 51.12 C ATOM 27 CD1 ILE A 2 5.324 -1.261 3.954 1.00 53.24 C ATOM 0 HA ILE A 2 6.192 -4.853 1.979 1.00 2.23 H new ATOM 0 HB ILE A 2 7.215 -1.994 2.051 1.00 20.42 H new ATOM 0 HG12 ILE A 2 5.075 -3.367 3.723 1.00 44.32 H new ATOM 0 HG13 ILE A 2 6.660 -2.888 4.299 1.00 44.32 H new ATOM 0 HG21 ILE A 2 4.914 -1.419 1.359 1.00 51.12 H new ATOM 0 HG22 ILE A 2 5.729 -2.441 0.151 1.00 51.12 H new ATOM 0 HG23 ILE A 2 4.521 -3.151 1.248 1.00 51.12 H new ATOM 0 HD11 ILE A 2 4.955 -1.273 4.979 1.00 53.24 H new ATOM 0 HD12 ILE A 2 6.117 -0.519 3.862 1.00 53.24 H new ATOM 0 HD13 ILE A 2 4.508 -1.005 3.278 1.00 53.24 H new ATOM 39 N PHE A 3 6.867 -4.635 -0.463 1.00 34.11 N ATOM 40 CA PHE A 3 7.373 -4.801 -1.820 1.00 12.11 C ATOM 41 C PHE A 3 6.364 -4.265 -2.830 1.00 74.23 C ATOM 42 O PHE A 3 5.195 -4.076 -2.498 1.00 4.05 O ATOM 43 CB PHE A 3 7.646 -6.283 -2.111 1.00 33.35 C ATOM 44 CG PHE A 3 8.589 -6.931 -1.140 1.00 32.11 C ATOM 45 CD1 PHE A 3 9.950 -6.683 -1.203 1.00 41.25 C ATOM 46 CD2 PHE A 3 8.112 -7.790 -0.164 1.00 75.25 C ATOM 47 CE1 PHE A 3 10.817 -7.276 -0.307 1.00 2.50 C ATOM 48 CE2 PHE A 3 8.975 -8.387 0.734 1.00 74.04 C ATOM 49 CZ PHE A 3 10.330 -8.129 0.661 1.00 61.13 C ATOM 0 H PHE A 3 5.890 -4.902 -0.344 1.00 34.11 H new ATOM 0 HA PHE A 3 8.304 -4.241 -1.908 1.00 12.11 H new ATOM 0 HB2 PHE A 3 6.700 -6.825 -2.100 1.00 33.35 H new ATOM 0 HB3 PHE A 3 8.056 -6.376 -3.117 1.00 33.35 H new ATOM 0 HD1 PHE A 3 10.337 -6.019 -1.961 1.00 41.25 H new ATOM 0 HD2 PHE A 3 7.053 -7.995 -0.104 1.00 75.25 H new ATOM 0 HE1 PHE A 3 11.876 -7.072 -0.364 1.00 2.50 H new ATOM 0 HE2 PHE A 3 8.591 -9.054 1.492 1.00 74.04 H new ATOM 0 HZ PHE A 3 11.007 -8.595 1.361 1.00 61.13 H new ATOM 59 N PRO A 4 6.800 -3.991 -4.071 1.00 34.24 N ATOM 60 CA PRO A 4 5.889 -3.615 -5.155 1.00 2.23 C ATOM 61 C PRO A 4 4.867 -4.714 -5.422 1.00 71.44 C ATOM 62 O PRO A 4 5.222 -5.836 -5.793 1.00 0.44 O ATOM 63 CB PRO A 4 6.811 -3.423 -6.362 1.00 71.54 C ATOM 64 CG PRO A 4 8.163 -3.196 -5.778 1.00 43.11 C ATOM 65 CD PRO A 4 8.204 -4.006 -4.516 1.00 74.14 C ATOM 0 HA PRO A 4 5.309 -2.722 -4.921 1.00 2.23 H new ATOM 0 HB2 PRO A 4 6.802 -4.300 -7.010 1.00 71.54 H new ATOM 0 HB3 PRO A 4 6.495 -2.575 -6.970 1.00 71.54 H new ATOM 0 HG2 PRO A 4 8.945 -3.509 -6.469 1.00 43.11 H new ATOM 0 HG3 PRO A 4 8.327 -2.139 -5.570 1.00 43.11 H new ATOM 0 HD2 PRO A 4 8.559 -5.020 -4.698 1.00 74.14 H new ATOM 0 HD3 PRO A 4 8.868 -3.564 -3.773 1.00 74.14 H new ATOM 73 N GLY A 5 3.602 -4.388 -5.221 1.00 43.53 N ATOM 74 CA GLY A 5 2.554 -5.377 -5.333 1.00 13.41 C ATOM 75 C GLY A 5 1.884 -5.644 -4.000 1.00 4.31 C ATOM 76 O GLY A 5 0.997 -6.490 -3.901 1.00 63.42 O ATOM 0 H GLY A 5 3.281 -3.450 -4.981 1.00 43.53 H new ATOM 0 HA2 GLY A 5 1.809 -5.037 -6.052 1.00 13.41 H new ATOM 0 HA3 GLY A 5 2.971 -6.306 -5.722 1.00 13.41 H new ATOM 80 N ALA A 6 2.326 -4.932 -2.969 1.00 32.14 N ATOM 81 CA ALA A 6 1.738 -5.057 -1.644 1.00 20.24 C ATOM 82 C ALA A 6 0.767 -3.913 -1.368 1.00 42.22 C ATOM 83 O ALA A 6 1.006 -2.767 -1.765 1.00 14.34 O ATOM 84 CB ALA A 6 2.828 -5.099 -0.583 1.00 61.00 C ATOM 0 H ALA A 6 3.092 -4.261 -3.028 1.00 32.14 H new ATOM 0 HA ALA A 6 1.178 -5.992 -1.606 1.00 20.24 H new ATOM 0 HB1 ALA A 6 2.373 -5.193 0.403 1.00 61.00 H new ATOM 0 HB2 ALA A 6 3.480 -5.954 -0.764 1.00 61.00 H new ATOM 0 HB3 ALA A 6 3.414 -4.181 -0.626 1.00 61.00 H new ATOM 90 N THR A 7 -0.329 -4.236 -0.699 1.00 1.23 N ATOM 91 CA THR A 7 -1.347 -3.256 -0.357 1.00 2.24 C ATOM 92 C THR A 7 -0.954 -2.495 0.910 1.00 25.44 C ATOM 93 O THR A 7 -0.596 -3.102 1.923 1.00 24.21 O ATOM 94 CB THR A 7 -2.698 -3.958 -0.139 1.00 32.21 C ATOM 95 OG1 THR A 7 -2.853 -5.010 -1.108 1.00 3.35 O ATOM 96 CG2 THR A 7 -3.847 -2.970 -0.266 1.00 33.23 C ATOM 0 H THR A 7 -0.537 -5.182 -0.379 1.00 1.23 H new ATOM 0 HA THR A 7 -1.435 -2.547 -1.180 1.00 2.24 H new ATOM 0 HB THR A 7 -2.715 -4.378 0.867 1.00 32.21 H new ATOM 0 HG1 THR A 7 -3.713 -5.459 -0.969 1.00 3.35 H new ATOM 0 HG21 THR A 7 -4.792 -3.489 -0.108 1.00 33.23 H new ATOM 0 HG22 THR A 7 -3.735 -2.184 0.481 1.00 33.23 H new ATOM 0 HG23 THR A 7 -3.838 -2.528 -1.262 1.00 33.23 H new ATOM 104 N VAL A 8 -1.015 -1.172 0.853 1.00 25.21 N ATOM 105 CA VAL A 8 -0.601 -0.346 1.975 1.00 14.12 C ATOM 106 C VAL A 8 -1.633 0.728 2.290 1.00 41.02 C ATOM 107 O VAL A 8 -2.386 1.162 1.418 1.00 24.32 O ATOM 108 CB VAL A 8 0.759 0.331 1.714 1.00 1.13 C ATOM 109 CG1 VAL A 8 1.882 -0.695 1.709 1.00 71.22 C ATOM 110 CG2 VAL A 8 0.732 1.104 0.400 1.00 43.11 C ATOM 0 H VAL A 8 -1.347 -0.650 0.042 1.00 25.21 H new ATOM 0 HA VAL A 8 -0.507 -1.016 2.829 1.00 14.12 H new ATOM 0 HB VAL A 8 0.947 1.037 2.523 1.00 1.13 H new ATOM 0 HG11 VAL A 8 2.832 -0.194 1.523 1.00 71.22 H new ATOM 0 HG12 VAL A 8 1.920 -1.197 2.676 1.00 71.22 H new ATOM 0 HG13 VAL A 8 1.700 -1.430 0.925 1.00 71.22 H new ATOM 0 HG21 VAL A 8 1.701 1.574 0.235 1.00 43.11 H new ATOM 0 HG22 VAL A 8 0.516 0.420 -0.420 1.00 43.11 H new ATOM 0 HG23 VAL A 8 -0.041 1.872 0.445 1.00 43.11 H new ATOM 120 N ARG A 9 -1.657 1.144 3.544 1.00 42.02 N ATOM 121 CA ARG A 9 -2.546 2.201 3.997 1.00 73.52 C ATOM 122 C ARG A 9 -1.730 3.391 4.494 1.00 11.24 C ATOM 123 O ARG A 9 -0.723 3.218 5.185 1.00 14.33 O ATOM 124 CB ARG A 9 -3.468 1.669 5.101 1.00 31.11 C ATOM 125 CG ARG A 9 -4.193 2.753 5.886 1.00 1.21 C ATOM 126 CD ARG A 9 -5.202 2.160 6.857 1.00 50.53 C ATOM 127 NE ARG A 9 -6.482 1.862 6.211 1.00 12.22 N ATOM 128 CZ ARG A 9 -7.126 0.699 6.307 1.00 1.44 C ATOM 129 NH1 ARG A 9 -6.586 -0.322 6.960 1.00 32.14 N ATOM 130 NH2 ARG A 9 -8.313 0.550 5.737 1.00 54.23 N ATOM 0 H ARG A 9 -1.061 0.759 4.277 1.00 42.02 H new ATOM 0 HA ARG A 9 -3.165 2.535 3.164 1.00 73.52 H new ATOM 0 HB2 ARG A 9 -4.207 1.005 4.653 1.00 31.11 H new ATOM 0 HB3 ARG A 9 -2.878 1.068 5.793 1.00 31.11 H new ATOM 0 HG2 ARG A 9 -3.467 3.352 6.435 1.00 1.21 H new ATOM 0 HG3 ARG A 9 -4.703 3.424 5.195 1.00 1.21 H new ATOM 0 HD2 ARG A 9 -4.794 1.247 7.290 1.00 50.53 H new ATOM 0 HD3 ARG A 9 -5.365 2.857 7.679 1.00 50.53 H new ATOM 0 HE ARG A 9 -6.911 2.596 5.648 1.00 12.22 H new ATOM 0 HH11 ARG A 9 -5.669 -0.222 7.395 1.00 32.14 H new ATOM 0 HH12 ARG A 9 -7.088 -1.207 7.027 1.00 32.14 H new ATOM 0 HH21 ARG A 9 -8.734 1.325 5.225 1.00 54.23 H new ATOM 0 HH22 ARG A 9 -8.806 -0.340 5.810 1.00 54.23 H new ATOM 144 N VAL A 10 -2.157 4.593 4.124 1.00 13.44 N ATOM 145 CA VAL A 10 -1.461 5.808 4.524 1.00 71.31 C ATOM 146 C VAL A 10 -1.844 6.194 5.948 1.00 22.54 C ATOM 147 O VAL A 10 -3.005 6.508 6.228 1.00 42.00 O ATOM 148 CB VAL A 10 -1.778 6.980 3.573 1.00 21.41 C ATOM 149 CG1 VAL A 10 -0.988 8.223 3.955 1.00 64.44 C ATOM 150 CG2 VAL A 10 -1.496 6.591 2.132 1.00 11.11 C ATOM 0 H VAL A 10 -2.983 4.751 3.547 1.00 13.44 H new ATOM 0 HA VAL A 10 -0.392 5.603 4.475 1.00 71.31 H new ATOM 0 HB VAL A 10 -2.839 7.212 3.667 1.00 21.41 H new ATOM 0 HG11 VAL A 10 -1.231 9.034 3.268 1.00 64.44 H new ATOM 0 HG12 VAL A 10 -1.245 8.520 4.972 1.00 64.44 H new ATOM 0 HG13 VAL A 10 0.079 8.007 3.899 1.00 64.44 H new ATOM 0 HG21 VAL A 10 -1.726 7.431 1.477 1.00 11.11 H new ATOM 0 HG22 VAL A 10 -0.444 6.325 2.026 1.00 11.11 H new ATOM 0 HG23 VAL A 10 -2.115 5.737 1.858 1.00 11.11 H new ATOM 160 N THR A 11 -0.873 6.155 6.845 1.00 75.43 N ATOM 161 CA THR A 11 -1.118 6.434 8.250 1.00 21.24 C ATOM 162 C THR A 11 -0.596 7.806 8.665 1.00 15.43 C ATOM 163 O THR A 11 -0.411 8.078 9.854 1.00 34.12 O ATOM 164 CB THR A 11 -0.479 5.348 9.125 1.00 35.33 C ATOM 165 OG1 THR A 11 0.649 4.784 8.442 1.00 4.11 O ATOM 166 CG2 THR A 11 -1.490 4.263 9.451 1.00 11.22 C ATOM 0 H THR A 11 0.097 5.932 6.623 1.00 75.43 H new ATOM 0 HA THR A 11 -2.198 6.435 8.395 1.00 21.24 H new ATOM 0 HB THR A 11 -0.146 5.798 10.061 1.00 35.33 H new ATOM 0 HG1 THR A 11 1.058 4.092 9.002 1.00 4.11 H new ATOM 0 HG21 THR A 11 -1.019 3.501 10.072 1.00 11.22 H new ATOM 0 HG22 THR A 11 -2.332 4.700 9.988 1.00 11.22 H new ATOM 0 HG23 THR A 11 -1.846 3.808 8.527 1.00 11.22 H new ATOM 174 N ASN A 12 -0.364 8.672 7.687 1.00 51.34 N ATOM 175 CA ASN A 12 0.031 10.046 7.970 1.00 50.10 C ATOM 176 C ASN A 12 -1.218 10.911 8.092 1.00 4.05 C ATOM 177 O ASN A 12 -1.952 11.107 7.122 1.00 23.44 O ATOM 178 CB ASN A 12 0.977 10.574 6.882 1.00 44.03 C ATOM 179 CG ASN A 12 1.571 11.937 7.213 1.00 62.20 C ATOM 180 OD1 ASN A 12 0.901 12.821 7.750 1.00 35.14 O ATOM 181 ND2 ASN A 12 2.854 12.107 6.923 1.00 41.44 N ATOM 0 H ASN A 12 -0.442 8.449 6.695 1.00 51.34 H new ATOM 0 HA ASN A 12 0.575 10.082 8.914 1.00 50.10 H new ATOM 0 HB2 ASN A 12 1.786 9.858 6.735 1.00 44.03 H new ATOM 0 HB3 ASN A 12 0.434 10.641 5.939 1.00 44.03 H new ATOM 0 HD21 ASN A 12 3.314 12.990 7.145 1.00 41.44 H new ATOM 0 HD22 ASN A 12 3.380 11.355 6.478 1.00 41.44 H new ATOM 188 N VAL A 13 -1.454 11.417 9.296 1.00 22.24 N ATOM 189 CA VAL A 13 -2.701 12.103 9.624 1.00 3.35 C ATOM 190 C VAL A 13 -2.845 13.422 8.865 1.00 52.04 C ATOM 191 O VAL A 13 -3.955 13.854 8.564 1.00 54.21 O ATOM 192 CB VAL A 13 -2.801 12.369 11.142 1.00 50.00 C ATOM 193 CG1 VAL A 13 -4.160 12.948 11.514 1.00 42.30 C ATOM 194 CG2 VAL A 13 -2.530 11.093 11.924 1.00 2.41 C ATOM 0 H VAL A 13 -0.792 11.365 10.070 1.00 22.24 H new ATOM 0 HA VAL A 13 -3.512 11.443 9.318 1.00 3.35 H new ATOM 0 HB VAL A 13 -2.042 13.106 11.404 1.00 50.00 H new ATOM 0 HG11 VAL A 13 -4.199 13.124 12.589 1.00 42.30 H new ATOM 0 HG12 VAL A 13 -4.311 13.890 10.986 1.00 42.30 H new ATOM 0 HG13 VAL A 13 -4.944 12.245 11.233 1.00 42.30 H new ATOM 0 HG21 VAL A 13 -2.604 11.298 12.992 1.00 2.41 H new ATOM 0 HG22 VAL A 13 -3.263 10.335 11.648 1.00 2.41 H new ATOM 0 HG23 VAL A 13 -1.528 10.731 11.693 1.00 2.41 H new ATOM 204 N ASP A 14 -1.723 14.041 8.528 1.00 42.32 N ATOM 205 CA ASP A 14 -1.742 15.353 7.884 1.00 32.33 C ATOM 206 C ASP A 14 -1.710 15.211 6.362 1.00 22.15 C ATOM 207 O ASP A 14 -1.309 16.122 5.641 1.00 34.31 O ATOM 208 CB ASP A 14 -0.559 16.200 8.377 1.00 40.21 C ATOM 209 CG ASP A 14 -0.647 17.656 7.947 1.00 65.54 C ATOM 210 OD1 ASP A 14 -1.767 18.212 7.921 1.00 14.41 O ATOM 211 OD2 ASP A 14 0.409 18.258 7.656 1.00 65.32 O ATOM 0 H ASP A 14 -0.790 13.661 8.687 1.00 42.32 H new ATOM 0 HA ASP A 14 -2.669 15.859 8.154 1.00 32.33 H new ATOM 0 HB2 ASP A 14 -0.513 16.151 9.465 1.00 40.21 H new ATOM 0 HB3 ASP A 14 0.369 15.771 7.999 1.00 40.21 H new ATOM 216 N ASP A 15 -2.146 14.065 5.861 1.00 40.32 N ATOM 217 CA ASP A 15 -2.204 13.860 4.422 1.00 35.13 C ATOM 218 C ASP A 15 -3.650 13.702 3.962 1.00 21.41 C ATOM 219 O ASP A 15 -4.540 13.420 4.767 1.00 21.42 O ATOM 220 CB ASP A 15 -1.379 12.639 4.006 1.00 40.21 C ATOM 221 CG ASP A 15 -1.197 12.561 2.502 1.00 2.13 C ATOM 222 OD1 ASP A 15 -0.280 13.228 1.974 1.00 55.00 O ATOM 223 OD2 ASP A 15 -1.991 11.871 1.837 1.00 54.23 O ATOM 0 H ASP A 15 -2.461 13.273 6.421 1.00 40.32 H new ATOM 0 HA ASP A 15 -1.777 14.740 3.941 1.00 35.13 H new ATOM 0 HB2 ASP A 15 -0.402 12.681 4.488 1.00 40.21 H new ATOM 0 HB3 ASP A 15 -1.870 11.732 4.359 1.00 40.21 H new ATOM 228 N THR A 16 -3.879 13.899 2.672 1.00 12.44 N ATOM 229 CA THR A 16 -5.207 13.772 2.095 1.00 52.53 C ATOM 230 C THR A 16 -5.653 12.310 2.052 1.00 1.52 C ATOM 231 O THR A 16 -6.839 12.006 2.203 1.00 20.14 O ATOM 232 CB THR A 16 -5.234 14.351 0.668 1.00 5.24 C ATOM 233 OG1 THR A 16 -4.637 15.655 0.668 1.00 1.42 O ATOM 234 CG2 THR A 16 -6.658 14.445 0.138 1.00 41.35 C ATOM 0 H THR A 16 -3.154 14.150 2.000 1.00 12.44 H new ATOM 0 HA THR A 16 -5.894 14.332 2.729 1.00 52.53 H new ATOM 0 HB THR A 16 -4.670 13.682 0.018 1.00 5.24 H new ATOM 0 HG1 THR A 16 -4.653 16.022 -0.241 1.00 1.42 H new ATOM 0 HG21 THR A 16 -6.644 14.857 -0.871 1.00 41.35 H new ATOM 0 HG22 THR A 16 -7.105 13.451 0.118 1.00 41.35 H new ATOM 0 HG23 THR A 16 -7.246 15.094 0.787 1.00 41.35 H new ATOM 242 N TYR A 17 -4.699 11.404 1.879 1.00 13.24 N ATOM 243 CA TYR A 17 -5.010 9.990 1.724 1.00 55.31 C ATOM 244 C TYR A 17 -4.878 9.232 3.039 1.00 14.12 C ATOM 245 O TYR A 17 -4.668 8.020 3.045 1.00 70.13 O ATOM 246 CB TYR A 17 -4.111 9.362 0.658 1.00 1.31 C ATOM 247 CG TYR A 17 -4.368 9.897 -0.732 1.00 15.21 C ATOM 248 CD1 TYR A 17 -5.551 9.604 -1.399 1.00 20.04 C ATOM 249 CD2 TYR A 17 -3.432 10.697 -1.375 1.00 14.25 C ATOM 250 CE1 TYR A 17 -5.794 10.094 -2.668 1.00 24.25 C ATOM 251 CE2 TYR A 17 -3.667 11.189 -2.644 1.00 41.03 C ATOM 252 CZ TYR A 17 -4.849 10.886 -3.285 1.00 11.12 C ATOM 253 OH TYR A 17 -5.086 11.377 -4.546 1.00 4.41 O ATOM 0 H TYR A 17 -3.704 11.624 1.843 1.00 13.24 H new ATOM 0 HA TYR A 17 -6.050 9.916 1.405 1.00 55.31 H new ATOM 0 HB2 TYR A 17 -3.068 9.540 0.921 1.00 1.31 H new ATOM 0 HB3 TYR A 17 -4.260 8.282 0.657 1.00 1.31 H new ATOM 0 HD1 TYR A 17 -6.293 8.983 -0.918 1.00 20.04 H new ATOM 0 HD2 TYR A 17 -2.506 10.938 -0.875 1.00 14.25 H new ATOM 0 HE1 TYR A 17 -6.719 9.858 -3.174 1.00 24.25 H new ATOM 0 HE2 TYR A 17 -2.928 11.808 -3.132 1.00 41.03 H new ATOM 0 HH TYR A 17 -5.230 12.345 -4.498 1.00 4.41 H new ATOM 263 N TYR A 18 -5.032 9.939 4.147 1.00 41.52 N ATOM 264 CA TYR A 18 -5.017 9.304 5.455 1.00 70.24 C ATOM 265 C TYR A 18 -6.125 8.259 5.546 1.00 21.40 C ATOM 266 O TYR A 18 -7.266 8.525 5.166 1.00 63.52 O ATOM 267 CB TYR A 18 -5.179 10.344 6.568 1.00 30.41 C ATOM 268 CG TYR A 18 -5.363 9.735 7.942 1.00 13.34 C ATOM 269 CD1 TYR A 18 -4.312 9.095 8.588 1.00 12.25 C ATOM 270 CD2 TYR A 18 -6.592 9.793 8.586 1.00 52.55 C ATOM 271 CE1 TYR A 18 -4.482 8.530 9.837 1.00 31.33 C ATOM 272 CE2 TYR A 18 -6.770 9.229 9.834 1.00 64.01 C ATOM 273 CZ TYR A 18 -5.711 8.600 10.456 1.00 11.43 C ATOM 274 OH TYR A 18 -5.888 8.031 11.697 1.00 13.33 O ATOM 0 H TYR A 18 -5.168 10.950 4.167 1.00 41.52 H new ATOM 0 HA TYR A 18 -4.053 8.811 5.585 1.00 70.24 H new ATOM 0 HB2 TYR A 18 -4.302 10.991 6.581 1.00 30.41 H new ATOM 0 HB3 TYR A 18 -6.038 10.976 6.342 1.00 30.41 H new ATOM 0 HD1 TYR A 18 -3.347 9.039 8.106 1.00 12.25 H new ATOM 0 HD2 TYR A 18 -7.422 10.287 8.103 1.00 52.55 H new ATOM 0 HE1 TYR A 18 -3.656 8.036 10.326 1.00 31.33 H new ATOM 0 HE2 TYR A 18 -7.733 9.280 10.320 1.00 64.01 H new ATOM 0 HH TYR A 18 -6.812 8.171 11.992 1.00 13.33 H new ATOM 284 N ARG A 19 -5.757 7.061 6.013 1.00 43.41 N ATOM 285 CA ARG A 19 -6.678 5.948 6.212 1.00 20.44 C ATOM 286 C ARG A 19 -7.011 5.249 4.890 1.00 14.12 C ATOM 287 O ARG A 19 -7.502 4.116 4.885 1.00 62.33 O ATOM 288 CB ARG A 19 -7.960 6.405 6.905 1.00 63.12 C ATOM 289 CG ARG A 19 -8.737 5.261 7.505 1.00 75.34 C ATOM 290 CD ARG A 19 -10.169 5.656 7.810 1.00 23.34 C ATOM 291 NE ARG A 19 -10.865 4.629 8.579 1.00 15.30 N ATOM 292 CZ ARG A 19 -12.165 4.362 8.465 1.00 51.45 C ATOM 293 NH1 ARG A 19 -12.903 4.992 7.556 1.00 75.01 N ATOM 294 NH2 ARG A 19 -12.725 3.450 9.251 1.00 71.03 N ATOM 0 H ARG A 19 -4.794 6.839 6.266 1.00 43.41 H new ATOM 0 HA ARG A 19 -6.174 5.230 6.859 1.00 20.44 H new ATOM 0 HB2 ARG A 19 -7.709 7.119 7.689 1.00 63.12 H new ATOM 0 HB3 ARG A 19 -8.590 6.929 6.186 1.00 63.12 H new ATOM 0 HG2 ARG A 19 -8.731 4.416 6.816 1.00 75.34 H new ATOM 0 HG3 ARG A 19 -8.248 4.929 8.421 1.00 75.34 H new ATOM 0 HD2 ARG A 19 -10.176 6.593 8.366 1.00 23.34 H new ATOM 0 HD3 ARG A 19 -10.703 5.835 6.877 1.00 23.34 H new ATOM 0 HE ARG A 19 -10.321 4.081 9.246 1.00 15.30 H new ATOM 0 HH11 ARG A 19 -12.474 5.684 6.941 1.00 75.01 H new ATOM 0 HH12 ARG A 19 -13.898 4.783 7.473 1.00 75.01 H new ATOM 0 HH21 ARG A 19 -12.160 2.955 9.941 1.00 71.03 H new ATOM 0 HH22 ARG A 19 -13.720 3.244 9.165 1.00 71.03 H new ATOM 308 N PHE A 20 -6.735 5.913 3.776 1.00 4.11 N ATOM 309 CA PHE A 20 -7.001 5.344 2.466 1.00 62.21 C ATOM 310 C PHE A 20 -5.966 4.280 2.121 1.00 53.41 C ATOM 311 O PHE A 20 -4.860 4.269 2.670 1.00 20.23 O ATOM 312 CB PHE A 20 -7.028 6.436 1.395 1.00 44.12 C ATOM 313 CG PHE A 20 -8.232 7.335 1.488 1.00 22.31 C ATOM 314 CD1 PHE A 20 -9.454 6.935 0.972 1.00 23.14 C ATOM 315 CD2 PHE A 20 -8.141 8.579 2.089 1.00 33.23 C ATOM 316 CE1 PHE A 20 -10.562 7.757 1.056 1.00 31.32 C ATOM 317 CE2 PHE A 20 -9.245 9.405 2.177 1.00 41.25 C ATOM 318 CZ PHE A 20 -10.455 8.994 1.659 1.00 63.43 C ATOM 0 H PHE A 20 -6.326 6.847 3.755 1.00 4.11 H new ATOM 0 HA PHE A 20 -7.982 4.871 2.495 1.00 62.21 H new ATOM 0 HB2 PHE A 20 -6.125 7.040 1.480 1.00 44.12 H new ATOM 0 HB3 PHE A 20 -7.007 5.969 0.410 1.00 44.12 H new ATOM 0 HD1 PHE A 20 -9.542 5.969 0.498 1.00 23.14 H new ATOM 0 HD2 PHE A 20 -7.195 8.908 2.494 1.00 33.23 H new ATOM 0 HE1 PHE A 20 -11.509 7.432 0.651 1.00 31.32 H new ATOM 0 HE2 PHE A 20 -9.160 10.372 2.651 1.00 41.25 H new ATOM 0 HZ PHE A 20 -11.318 9.639 1.725 1.00 63.43 H new ATOM 328 N GLU A 21 -6.335 3.388 1.217 1.00 35.31 N ATOM 329 CA GLU A 21 -5.492 2.254 0.874 1.00 40.55 C ATOM 330 C GLU A 21 -5.056 2.324 -0.582 1.00 43.22 C ATOM 331 O GLU A 21 -5.841 2.685 -1.462 1.00 43.13 O ATOM 332 CB GLU A 21 -6.249 0.953 1.137 1.00 65.11 C ATOM 333 CG GLU A 21 -6.699 0.806 2.579 1.00 52.31 C ATOM 334 CD GLU A 21 -7.676 -0.329 2.775 1.00 24.03 C ATOM 335 OE1 GLU A 21 -8.891 -0.108 2.591 1.00 30.32 O ATOM 336 OE2 GLU A 21 -7.242 -1.439 3.136 1.00 51.21 O ATOM 0 H GLU A 21 -7.216 3.427 0.705 1.00 35.31 H new ATOM 0 HA GLU A 21 -4.598 2.283 1.497 1.00 40.55 H new ATOM 0 HB2 GLU A 21 -7.121 0.909 0.484 1.00 65.11 H new ATOM 0 HB3 GLU A 21 -5.611 0.109 0.874 1.00 65.11 H new ATOM 0 HG2 GLU A 21 -5.827 0.642 3.212 1.00 52.31 H new ATOM 0 HG3 GLU A 21 -7.160 1.737 2.907 1.00 52.31 H new ATOM 343 N GLY A 22 -3.804 1.980 -0.824 1.00 20.23 N ATOM 344 CA GLY A 22 -3.276 1.987 -2.167 1.00 41.04 C ATOM 345 C GLY A 22 -2.379 0.799 -2.415 1.00 3.34 C ATOM 346 O GLY A 22 -2.170 -0.026 -1.522 1.00 23.54 O ATOM 0 H GLY A 22 -3.138 1.693 -0.106 1.00 20.23 H new ATOM 0 HA2 GLY A 22 -4.098 1.979 -2.882 1.00 41.04 H new ATOM 0 HA3 GLY A 22 -2.717 2.908 -2.334 1.00 41.04 H new ATOM 350 N LEU A 23 -1.841 0.704 -3.618 1.00 63.10 N ATOM 351 CA LEU A 23 -0.991 -0.416 -3.974 1.00 55.31 C ATOM 352 C LEU A 23 0.403 0.074 -4.340 1.00 61.20 C ATOM 353 O LEU A 23 0.554 0.917 -5.226 1.00 15.54 O ATOM 354 CB LEU A 23 -1.604 -1.187 -5.144 1.00 63.53 C ATOM 355 CG LEU A 23 -0.913 -2.504 -5.496 1.00 10.13 C ATOM 356 CD1 LEU A 23 -1.073 -3.510 -4.370 1.00 22.33 C ATOM 357 CD2 LEU A 23 -1.472 -3.062 -6.790 1.00 42.20 C ATOM 0 H LEU A 23 -1.978 1.388 -4.363 1.00 63.10 H new ATOM 0 HA LEU A 23 -0.911 -1.083 -3.115 1.00 55.31 H new ATOM 0 HB2 LEU A 23 -2.649 -1.395 -4.912 1.00 63.53 H new ATOM 0 HB3 LEU A 23 -1.595 -0.545 -6.025 1.00 63.53 H new ATOM 0 HG LEU A 23 0.151 -2.310 -5.632 1.00 10.13 H new ATOM 0 HD11 LEU A 23 -0.574 -4.441 -4.640 1.00 22.33 H new ATOM 0 HD12 LEU A 23 -0.627 -3.110 -3.459 1.00 22.33 H new ATOM 0 HD13 LEU A 23 -2.133 -3.702 -4.201 1.00 22.33 H new ATOM 0 HD21 LEU A 23 -0.971 -4.000 -7.028 1.00 42.20 H new ATOM 0 HD22 LEU A 23 -2.541 -3.241 -6.677 1.00 42.20 H new ATOM 0 HD23 LEU A 23 -1.306 -2.347 -7.596 1.00 42.20 H new ATOM 369 N VAL A 24 1.414 -0.439 -3.644 1.00 2.11 N ATOM 370 CA VAL A 24 2.801 -0.107 -3.952 1.00 52.23 C ATOM 371 C VAL A 24 3.147 -0.586 -5.348 1.00 4.13 C ATOM 372 O VAL A 24 3.104 -1.781 -5.632 1.00 11.53 O ATOM 373 CB VAL A 24 3.785 -0.734 -2.937 1.00 41.30 C ATOM 374 CG1 VAL A 24 5.224 -0.381 -3.289 1.00 74.30 C ATOM 375 CG2 VAL A 24 3.459 -0.280 -1.524 1.00 1.11 C ATOM 0 H VAL A 24 1.298 -1.086 -2.864 1.00 2.11 H new ATOM 0 HA VAL A 24 2.899 0.977 -3.891 1.00 52.23 H new ATOM 0 HB VAL A 24 3.676 -1.817 -2.986 1.00 41.30 H new ATOM 0 HG11 VAL A 24 5.898 -0.833 -2.561 1.00 74.30 H new ATOM 0 HG12 VAL A 24 5.458 -0.759 -4.284 1.00 74.30 H new ATOM 0 HG13 VAL A 24 5.347 0.702 -3.274 1.00 74.30 H new ATOM 0 HG21 VAL A 24 4.163 -0.732 -0.825 1.00 1.11 H new ATOM 0 HG22 VAL A 24 3.535 0.806 -1.464 1.00 1.11 H new ATOM 0 HG23 VAL A 24 2.445 -0.587 -1.268 1.00 1.11 H new ATOM 385 N GLN A 25 3.464 0.352 -6.217 1.00 51.10 N ATOM 386 CA GLN A 25 3.766 0.033 -7.600 1.00 42.34 C ATOM 387 C GLN A 25 5.247 -0.227 -7.784 1.00 12.31 C ATOM 388 O GLN A 25 5.646 -1.058 -8.598 1.00 20.53 O ATOM 389 CB GLN A 25 3.331 1.177 -8.510 1.00 54.41 C ATOM 390 CG GLN A 25 1.825 1.342 -8.608 1.00 3.32 C ATOM 391 CD GLN A 25 1.136 0.117 -9.176 1.00 1.31 C ATOM 392 OE1 GLN A 25 0.948 -0.001 -10.388 1.00 1.55 O ATOM 393 NE2 GLN A 25 0.745 -0.798 -8.302 1.00 53.14 N ATOM 0 H GLN A 25 3.520 1.345 -5.990 1.00 51.10 H new ATOM 0 HA GLN A 25 3.218 -0.871 -7.866 1.00 42.34 H new ATOM 0 HB2 GLN A 25 3.766 2.107 -8.143 1.00 54.41 H new ATOM 0 HB3 GLN A 25 3.735 1.009 -9.508 1.00 54.41 H new ATOM 0 HG2 GLN A 25 1.422 1.554 -7.618 1.00 3.32 H new ATOM 0 HG3 GLN A 25 1.599 2.204 -9.235 1.00 3.32 H new ATOM 0 HE21 GLN A 25 0.921 -0.661 -7.307 1.00 53.14 H new ATOM 0 HE22 GLN A 25 0.268 -1.640 -8.624 1.00 53.14 H new ATOM 402 N ARG A 26 6.054 0.482 -7.016 1.00 34.32 N ATOM 403 CA ARG A 26 7.487 0.424 -7.162 1.00 3.23 C ATOM 404 C ARG A 26 8.159 1.133 -6.005 1.00 53.04 C ATOM 405 O ARG A 26 7.571 2.011 -5.370 1.00 33.31 O ATOM 406 CB ARG A 26 7.915 1.070 -8.484 1.00 13.02 C ATOM 407 CG ARG A 26 7.511 2.533 -8.613 1.00 40.13 C ATOM 408 CD ARG A 26 7.888 3.096 -9.972 1.00 43.25 C ATOM 409 NE ARG A 26 7.248 2.362 -11.062 1.00 14.34 N ATOM 410 CZ ARG A 26 7.383 2.669 -12.350 1.00 63.44 C ATOM 411 NH1 ARG A 26 8.099 3.729 -12.712 1.00 25.42 N ATOM 412 NH2 ARG A 26 6.781 1.926 -13.268 1.00 23.51 N ATOM 0 H ARG A 26 5.732 1.109 -6.279 1.00 34.32 H new ATOM 0 HA ARG A 26 7.792 -0.622 -7.165 1.00 3.23 H new ATOM 0 HB2 ARG A 26 8.998 0.992 -8.582 1.00 13.02 H new ATOM 0 HB3 ARG A 26 7.479 0.508 -9.310 1.00 13.02 H new ATOM 0 HG2 ARG A 26 6.436 2.629 -8.464 1.00 40.13 H new ATOM 0 HG3 ARG A 26 7.995 3.116 -7.829 1.00 40.13 H new ATOM 0 HD2 ARG A 26 7.600 4.146 -10.023 1.00 43.25 H new ATOM 0 HD3 ARG A 26 8.970 3.056 -10.094 1.00 43.25 H new ATOM 0 HE ARG A 26 6.661 1.564 -10.820 1.00 14.34 H new ATOM 0 HH11 ARG A 26 8.546 4.309 -12.002 1.00 25.42 H new ATOM 0 HH12 ARG A 26 8.201 3.962 -13.700 1.00 25.42 H new ATOM 0 HH21 ARG A 26 6.218 1.124 -12.986 1.00 23.51 H new ATOM 0 HH22 ARG A 26 6.881 2.157 -14.257 1.00 23.51 H new ATOM 426 N VAL A 27 9.372 0.718 -5.727 1.00 55.25 N ATOM 427 CA VAL A 27 10.220 1.390 -4.755 1.00 52.55 C ATOM 428 C VAL A 27 11.004 2.493 -5.455 1.00 54.32 C ATOM 429 O VAL A 27 11.684 2.242 -6.448 1.00 21.33 O ATOM 430 CB VAL A 27 11.201 0.404 -4.077 1.00 41.25 C ATOM 431 CG1 VAL A 27 12.080 1.115 -3.056 1.00 33.23 C ATOM 432 CG2 VAL A 27 10.443 -0.741 -3.423 1.00 11.42 C ATOM 0 H VAL A 27 9.805 -0.095 -6.165 1.00 55.25 H new ATOM 0 HA VAL A 27 9.583 1.813 -3.978 1.00 52.55 H new ATOM 0 HB VAL A 27 11.850 -0.006 -4.851 1.00 41.25 H new ATOM 0 HG11 VAL A 27 12.758 0.396 -2.597 1.00 33.23 H new ATOM 0 HG12 VAL A 27 12.659 1.893 -3.553 1.00 33.23 H new ATOM 0 HG13 VAL A 27 11.453 1.565 -2.286 1.00 33.23 H new ATOM 0 HG21 VAL A 27 11.150 -1.423 -2.952 1.00 11.42 H new ATOM 0 HG22 VAL A 27 9.764 -0.344 -2.668 1.00 11.42 H new ATOM 0 HG23 VAL A 27 9.870 -1.277 -4.180 1.00 11.42 H new ATOM 442 N SER A 28 10.889 3.709 -4.955 1.00 1.53 N ATOM 443 CA SER A 28 11.547 4.846 -5.574 1.00 62.45 C ATOM 444 C SER A 28 12.518 5.514 -4.607 1.00 75.35 C ATOM 445 O SER A 28 12.115 6.285 -3.735 1.00 21.14 O ATOM 446 CB SER A 28 10.507 5.851 -6.071 1.00 35.10 C ATOM 447 OG SER A 28 9.623 5.244 -7.001 1.00 75.54 O ATOM 0 H SER A 28 10.346 3.936 -4.122 1.00 1.53 H new ATOM 0 HA SER A 28 12.122 4.484 -6.426 1.00 62.45 H new ATOM 0 HB2 SER A 28 9.940 6.242 -5.226 1.00 35.10 H new ATOM 0 HB3 SER A 28 11.008 6.698 -6.539 1.00 35.10 H new ATOM 0 HG SER A 28 8.965 5.903 -7.305 1.00 75.54 H new ATOM 453 N ASP A 29 13.797 5.175 -4.758 1.00 0.10 N ATOM 454 CA ASP A 29 14.878 5.753 -3.958 1.00 14.43 C ATOM 455 C ASP A 29 14.626 5.610 -2.461 1.00 32.40 C ATOM 456 O ASP A 29 14.928 6.512 -1.677 1.00 3.22 O ATOM 457 CB ASP A 29 15.090 7.225 -4.318 1.00 41.43 C ATOM 458 CG ASP A 29 15.682 7.407 -5.700 1.00 74.21 C ATOM 459 OD1 ASP A 29 16.893 7.143 -5.872 1.00 32.33 O ATOM 460 OD2 ASP A 29 14.948 7.825 -6.623 1.00 13.30 O ATOM 0 H ASP A 29 14.115 4.488 -5.442 1.00 0.10 H new ATOM 0 HA ASP A 29 15.783 5.193 -4.194 1.00 14.43 H new ATOM 0 HB2 ASP A 29 14.136 7.750 -4.263 1.00 41.43 H new ATOM 0 HB3 ASP A 29 15.749 7.684 -3.581 1.00 41.43 H new ATOM 465 N GLY A 30 14.094 4.464 -2.067 1.00 62.54 N ATOM 466 CA GLY A 30 13.853 4.206 -0.661 1.00 34.12 C ATOM 467 C GLY A 30 12.423 4.487 -0.256 1.00 34.02 C ATOM 468 O GLY A 30 12.003 4.132 0.846 1.00 61.35 O ATOM 0 H GLY A 30 13.824 3.707 -2.695 1.00 62.54 H new ATOM 0 HA2 GLY A 30 14.092 3.166 -0.440 1.00 34.12 H new ATOM 0 HA3 GLY A 30 14.524 4.821 -0.062 1.00 34.12 H new ATOM 472 N LYS A 31 11.681 5.139 -1.142 1.00 75.14 N ATOM 473 CA LYS A 31 10.277 5.414 -0.921 1.00 54.41 C ATOM 474 C LYS A 31 9.419 4.392 -1.662 1.00 60.11 C ATOM 475 O LYS A 31 9.941 3.536 -2.374 1.00 60.41 O ATOM 476 CB LYS A 31 9.950 6.817 -1.418 1.00 12.24 C ATOM 477 CG LYS A 31 10.606 7.934 -0.624 1.00 53.12 C ATOM 478 CD LYS A 31 10.181 9.294 -1.149 1.00 31.11 C ATOM 479 CE LYS A 31 10.802 10.426 -0.350 1.00 13.34 C ATOM 480 NZ LYS A 31 10.346 11.755 -0.835 1.00 13.50 N ATOM 0 H LYS A 31 12.039 5.489 -2.030 1.00 75.14 H new ATOM 0 HA LYS A 31 10.063 5.346 0.146 1.00 54.41 H new ATOM 0 HB2 LYS A 31 10.257 6.900 -2.461 1.00 12.24 H new ATOM 0 HB3 LYS A 31 8.869 6.956 -1.392 1.00 12.24 H new ATOM 0 HG2 LYS A 31 10.335 7.845 0.428 1.00 53.12 H new ATOM 0 HG3 LYS A 31 11.690 7.839 -0.683 1.00 53.12 H new ATOM 0 HD2 LYS A 31 10.471 9.386 -2.196 1.00 31.11 H new ATOM 0 HD3 LYS A 31 9.095 9.375 -1.111 1.00 31.11 H new ATOM 0 HE2 LYS A 31 10.542 10.314 0.703 1.00 13.34 H new ATOM 0 HE3 LYS A 31 11.888 10.367 -0.418 1.00 13.34 H new ATOM 0 HZ1 LYS A 31 10.791 12.503 -0.266 1.00 13.50 H new ATOM 0 HZ2 LYS A 31 10.616 11.872 -1.833 1.00 13.50 H new ATOM 0 HZ3 LYS A 31 9.312 11.821 -0.746 1.00 13.50 H new ATOM 494 N ALA A 32 8.110 4.492 -1.510 1.00 33.30 N ATOM 495 CA ALA A 32 7.194 3.577 -2.172 1.00 33.35 C ATOM 496 C ALA A 32 6.127 4.347 -2.936 1.00 3.14 C ATOM 497 O ALA A 32 5.448 5.209 -2.374 1.00 70.52 O ATOM 498 CB ALA A 32 6.552 2.641 -1.159 1.00 64.10 C ATOM 0 H ALA A 32 7.656 5.199 -0.932 1.00 33.30 H new ATOM 0 HA ALA A 32 7.762 2.978 -2.884 1.00 33.35 H new ATOM 0 HB1 ALA A 32 5.869 1.963 -1.672 1.00 64.10 H new ATOM 0 HB2 ALA A 32 7.327 2.063 -0.655 1.00 64.10 H new ATOM 0 HB3 ALA A 32 5.999 3.225 -0.423 1.00 64.10 H new ATOM 504 N ALA A 33 5.988 4.042 -4.219 1.00 52.03 N ATOM 505 CA ALA A 33 5.008 4.706 -5.060 1.00 74.40 C ATOM 506 C ALA A 33 3.652 4.044 -4.897 1.00 2.25 C ATOM 507 O ALA A 33 3.442 2.920 -5.355 1.00 42.42 O ATOM 508 CB ALA A 33 5.451 4.679 -6.515 1.00 5.22 C ATOM 0 H ALA A 33 6.545 3.336 -4.699 1.00 52.03 H new ATOM 0 HA ALA A 33 4.925 5.748 -4.751 1.00 74.40 H new ATOM 0 HB1 ALA A 33 4.705 5.181 -7.132 1.00 5.22 H new ATOM 0 HB2 ALA A 33 6.408 5.192 -6.614 1.00 5.22 H new ATOM 0 HB3 ALA A 33 5.558 3.645 -6.844 1.00 5.22 H new ATOM 514 N VAL A 34 2.747 4.730 -4.223 1.00 45.51 N ATOM 515 CA VAL A 34 1.437 4.181 -3.926 1.00 51.11 C ATOM 516 C VAL A 34 0.425 4.597 -4.981 1.00 30.35 C ATOM 517 O VAL A 34 0.238 5.784 -5.248 1.00 62.54 O ATOM 518 CB VAL A 34 0.939 4.635 -2.539 1.00 72.33 C ATOM 519 CG1 VAL A 34 -0.386 3.969 -2.189 1.00 34.54 C ATOM 520 CG2 VAL A 34 1.987 4.346 -1.476 1.00 33.25 C ATOM 0 H VAL A 34 2.897 5.675 -3.869 1.00 45.51 H new ATOM 0 HA VAL A 34 1.536 3.095 -3.927 1.00 51.11 H new ATOM 0 HB VAL A 34 0.772 5.712 -2.573 1.00 72.33 H new ATOM 0 HG11 VAL A 34 -0.714 4.307 -1.206 1.00 34.54 H new ATOM 0 HG12 VAL A 34 -1.136 4.236 -2.934 1.00 34.54 H new ATOM 0 HG13 VAL A 34 -0.257 2.887 -2.176 1.00 34.54 H new ATOM 0 HG21 VAL A 34 1.619 4.673 -0.504 1.00 33.25 H new ATOM 0 HG22 VAL A 34 2.189 3.275 -1.446 1.00 33.25 H new ATOM 0 HG23 VAL A 34 2.905 4.882 -1.715 1.00 33.25 H new ATOM 530 N LEU A 35 -0.214 3.612 -5.585 1.00 54.13 N ATOM 531 CA LEU A 35 -1.244 3.868 -6.573 1.00 24.55 C ATOM 532 C LEU A 35 -2.620 3.748 -5.949 1.00 23.15 C ATOM 533 O LEU A 35 -2.942 2.738 -5.322 1.00 74.31 O ATOM 534 CB LEU A 35 -1.141 2.880 -7.729 1.00 73.12 C ATOM 535 CG LEU A 35 -2.087 3.151 -8.898 1.00 32.11 C ATOM 536 CD1 LEU A 35 -1.783 4.496 -9.543 1.00 51.00 C ATOM 537 CD2 LEU A 35 -1.997 2.034 -9.924 1.00 3.43 C ATOM 0 H LEU A 35 -0.036 2.623 -5.407 1.00 54.13 H new ATOM 0 HA LEU A 35 -1.098 4.881 -6.948 1.00 24.55 H new ATOM 0 HB2 LEU A 35 -0.117 2.886 -8.102 1.00 73.12 H new ATOM 0 HB3 LEU A 35 -1.336 1.877 -7.348 1.00 73.12 H new ATOM 0 HG LEU A 35 -3.105 3.185 -8.511 1.00 32.11 H new ATOM 0 HD11 LEU A 35 -2.470 4.665 -10.372 1.00 51.00 H new ATOM 0 HD12 LEU A 35 -1.903 5.289 -8.805 1.00 51.00 H new ATOM 0 HD13 LEU A 35 -0.758 4.498 -9.914 1.00 51.00 H new ATOM 0 HD21 LEU A 35 -2.677 2.243 -10.750 1.00 3.43 H new ATOM 0 HD22 LEU A 35 -0.977 1.968 -10.302 1.00 3.43 H new ATOM 0 HD23 LEU A 35 -2.273 1.088 -9.457 1.00 3.43 H new ATOM 549 N PHE A 36 -3.416 4.784 -6.115 1.00 33.12 N ATOM 550 CA PHE A 36 -4.812 4.741 -5.719 1.00 13.41 C ATOM 551 C PHE A 36 -5.664 4.575 -6.968 1.00 51.15 C ATOM 552 O PHE A 36 -5.412 5.225 -7.981 1.00 54.34 O ATOM 553 CB PHE A 36 -5.212 6.010 -4.961 1.00 52.53 C ATOM 554 CG PHE A 36 -4.334 6.301 -3.773 1.00 51.54 C ATOM 555 CD1 PHE A 36 -4.600 5.725 -2.540 1.00 34.32 C ATOM 556 CD2 PHE A 36 -3.237 7.142 -3.892 1.00 12.43 C ATOM 557 CE1 PHE A 36 -3.789 5.981 -1.451 1.00 45.42 C ATOM 558 CE2 PHE A 36 -2.422 7.398 -2.806 1.00 62.20 C ATOM 559 CZ PHE A 36 -2.699 6.818 -1.584 1.00 54.03 C ATOM 0 H PHE A 36 -3.120 5.671 -6.523 1.00 33.12 H new ATOM 0 HA PHE A 36 -4.970 3.899 -5.046 1.00 13.41 H new ATOM 0 HB2 PHE A 36 -5.178 6.858 -5.645 1.00 52.53 H new ATOM 0 HB3 PHE A 36 -6.244 5.913 -4.625 1.00 52.53 H new ATOM 0 HD1 PHE A 36 -5.451 5.069 -2.430 1.00 34.32 H new ATOM 0 HD2 PHE A 36 -3.018 7.602 -4.844 1.00 12.43 H new ATOM 0 HE1 PHE A 36 -4.008 5.526 -0.496 1.00 45.42 H new ATOM 0 HE2 PHE A 36 -1.569 8.051 -2.913 1.00 62.20 H new ATOM 0 HZ PHE A 36 -2.064 7.019 -0.734 1.00 54.03 H new ATOM 569 N GLU A 37 -6.656 3.706 -6.894 1.00 10.53 N ATOM 570 CA GLU A 37 -7.443 3.340 -8.066 1.00 34.11 C ATOM 571 C GLU A 37 -8.910 3.173 -7.673 1.00 53.45 C ATOM 572 O GLU A 37 -9.211 2.528 -6.666 1.00 55.04 O ATOM 573 CB GLU A 37 -6.888 2.035 -8.652 1.00 13.50 C ATOM 574 CG GLU A 37 -6.911 1.961 -10.170 1.00 32.31 C ATOM 575 CD GLU A 37 -8.309 1.916 -10.743 1.00 24.32 C ATOM 576 OE1 GLU A 37 -8.893 0.813 -10.808 1.00 40.04 O ATOM 577 OE2 GLU A 37 -8.832 2.979 -11.132 1.00 20.22 O ATOM 0 H GLU A 37 -6.939 3.237 -6.033 1.00 10.53 H new ATOM 0 HA GLU A 37 -7.378 4.126 -8.819 1.00 34.11 H new ATOM 0 HB2 GLU A 37 -5.861 1.907 -8.311 1.00 13.50 H new ATOM 0 HB3 GLU A 37 -7.463 1.200 -8.252 1.00 13.50 H new ATOM 0 HG2 GLU A 37 -6.386 2.825 -10.577 1.00 32.31 H new ATOM 0 HG3 GLU A 37 -6.364 1.075 -10.492 1.00 32.31 H new ATOM 584 N ASN A 38 -9.814 3.758 -8.453 1.00 71.11 N ATOM 585 CA ASN A 38 -11.243 3.707 -8.135 1.00 30.24 C ATOM 586 C ASN A 38 -12.061 3.236 -9.344 1.00 13.13 C ATOM 587 O ASN A 38 -13.260 3.489 -9.439 1.00 12.13 O ATOM 588 CB ASN A 38 -11.718 5.089 -7.662 1.00 41.55 C ATOM 589 CG ASN A 38 -13.014 5.033 -6.861 1.00 32.30 C ATOM 590 OD1 ASN A 38 -12.996 4.799 -5.654 1.00 32.40 O ATOM 591 ND2 ASN A 38 -14.142 5.278 -7.513 1.00 45.55 N ATOM 0 H ASN A 38 -9.588 4.271 -9.305 1.00 71.11 H new ATOM 0 HA ASN A 38 -11.396 2.985 -7.333 1.00 30.24 H new ATOM 0 HB2 ASN A 38 -10.939 5.545 -7.051 1.00 41.55 H new ATOM 0 HB3 ASN A 38 -11.861 5.734 -8.529 1.00 41.55 H new ATOM 0 HD21 ASN A 38 -15.031 5.276 -7.013 1.00 45.55 H new ATOM 0 HD22 ASN A 38 -14.121 5.468 -8.515 1.00 45.55 H new ATOM 598 N GLY A 39 -11.409 2.548 -10.269 1.00 50.34 N ATOM 599 CA GLY A 39 -12.116 1.970 -11.396 1.00 1.51 C ATOM 600 C GLY A 39 -12.033 2.822 -12.645 1.00 32.03 C ATOM 601 O GLY A 39 -12.713 2.540 -13.633 1.00 3.11 O ATOM 0 H GLY A 39 -10.403 2.379 -10.261 1.00 50.34 H new ATOM 0 HA2 GLY A 39 -11.705 0.983 -11.608 1.00 1.51 H new ATOM 0 HA3 GLY A 39 -13.163 1.829 -11.128 1.00 1.51 H new ATOM 605 N ASN A 40 -11.189 3.849 -12.595 1.00 54.13 N ATOM 606 CA ASN A 40 -11.001 4.791 -13.702 1.00 43.13 C ATOM 607 C ASN A 40 -10.179 5.970 -13.216 1.00 40.35 C ATOM 608 O ASN A 40 -9.232 6.402 -13.870 1.00 73.42 O ATOM 609 CB ASN A 40 -12.338 5.297 -14.267 1.00 44.45 C ATOM 610 CG ASN A 40 -12.149 6.289 -15.400 1.00 42.24 C ATOM 611 OD1 ASN A 40 -12.120 7.498 -15.181 1.00 71.15 O ATOM 612 ND2 ASN A 40 -12.009 5.791 -16.618 1.00 20.00 N ATOM 0 H ASN A 40 -10.611 4.055 -11.781 1.00 54.13 H new ATOM 0 HA ASN A 40 -10.484 4.265 -14.505 1.00 43.13 H new ATOM 0 HB2 ASN A 40 -12.923 4.449 -14.624 1.00 44.45 H new ATOM 0 HB3 ASN A 40 -12.912 5.767 -13.468 1.00 44.45 H new ATOM 0 HD21 ASN A 40 -11.872 6.416 -17.412 1.00 20.00 H new ATOM 0 HD22 ASN A 40 -12.038 4.782 -16.763 1.00 20.00 H new ATOM 619 N TRP A 41 -10.554 6.487 -12.055 1.00 23.21 N ATOM 620 CA TRP A 41 -9.800 7.550 -11.417 1.00 73.51 C ATOM 621 C TRP A 41 -8.599 6.970 -10.697 1.00 53.35 C ATOM 622 O TRP A 41 -8.696 5.924 -10.052 1.00 64.23 O ATOM 623 CB TRP A 41 -10.685 8.328 -10.438 1.00 52.44 C ATOM 624 CG TRP A 41 -9.929 9.273 -9.548 1.00 42.13 C ATOM 625 CD1 TRP A 41 -9.548 10.548 -9.844 1.00 63.51 C ATOM 626 CD2 TRP A 41 -9.471 9.016 -8.214 1.00 22.20 C ATOM 627 NE1 TRP A 41 -8.869 11.094 -8.783 1.00 74.23 N ATOM 628 CE2 TRP A 41 -8.811 10.176 -7.769 1.00 44.25 C ATOM 629 CE3 TRP A 41 -9.551 7.913 -7.354 1.00 2.14 C ATOM 630 CZ2 TRP A 41 -8.239 10.266 -6.503 1.00 52.13 C ATOM 631 CZ3 TRP A 41 -8.983 8.005 -6.098 1.00 31.13 C ATOM 632 CH2 TRP A 41 -8.333 9.173 -5.683 1.00 33.41 C ATOM 0 H TRP A 41 -11.379 6.185 -11.536 1.00 23.21 H new ATOM 0 HA TRP A 41 -9.453 8.241 -12.185 1.00 73.51 H new ATOM 0 HB2 TRP A 41 -11.426 8.893 -11.004 1.00 52.44 H new ATOM 0 HB3 TRP A 41 -11.232 7.619 -9.816 1.00 52.44 H new ATOM 0 HD1 TRP A 41 -9.751 11.054 -10.776 1.00 63.51 H new ATOM 0 HE1 TRP A 41 -8.472 12.033 -8.755 1.00 74.23 H new ATOM 0 HE3 TRP A 41 -10.048 7.007 -7.667 1.00 2.14 H new ATOM 0 HZ2 TRP A 41 -7.739 11.166 -6.179 1.00 52.13 H new ATOM 0 HZ3 TRP A 41 -9.041 7.162 -5.425 1.00 31.13 H new ATOM 0 HH2 TRP A 41 -7.897 9.213 -4.696 1.00 33.41 H new ATOM 643 N ASP A 42 -7.478 7.654 -10.811 1.00 60.23 N ATOM 644 CA ASP A 42 -6.246 7.206 -10.185 1.00 52.15 C ATOM 645 C ASP A 42 -5.319 8.382 -9.927 1.00 44.42 C ATOM 646 O ASP A 42 -5.503 9.469 -10.482 1.00 13.42 O ATOM 647 CB ASP A 42 -5.524 6.170 -11.059 1.00 12.23 C ATOM 648 CG ASP A 42 -4.764 6.791 -12.218 1.00 54.43 C ATOM 649 OD1 ASP A 42 -5.392 7.120 -13.247 1.00 60.32 O ATOM 650 OD2 ASP A 42 -3.526 6.932 -12.113 1.00 40.12 O ATOM 0 H ASP A 42 -7.393 8.526 -11.333 1.00 60.23 H new ATOM 0 HA ASP A 42 -6.511 6.740 -9.236 1.00 52.15 H new ATOM 0 HB2 ASP A 42 -4.829 5.603 -10.440 1.00 12.23 H new ATOM 0 HB3 ASP A 42 -6.254 5.462 -11.450 1.00 12.23 H new ATOM 655 N LYS A 43 -4.343 8.152 -9.066 1.00 51.42 N ATOM 656 CA LYS A 43 -3.288 9.118 -8.800 1.00 54.31 C ATOM 657 C LYS A 43 -2.148 8.433 -8.061 1.00 62.30 C ATOM 658 O LYS A 43 -2.276 8.086 -6.887 1.00 42.03 O ATOM 659 CB LYS A 43 -3.799 10.308 -7.975 1.00 0.13 C ATOM 660 CG LYS A 43 -2.752 11.397 -7.788 1.00 32.03 C ATOM 661 CD LYS A 43 -3.244 12.513 -6.878 1.00 24.15 C ATOM 662 CE LYS A 43 -2.187 13.595 -6.714 1.00 72.13 C ATOM 663 NZ LYS A 43 -2.600 14.645 -5.741 1.00 42.51 N ATOM 0 H LYS A 43 -4.258 7.288 -8.530 1.00 51.42 H new ATOM 0 HA LYS A 43 -2.937 9.504 -9.757 1.00 54.31 H new ATOM 0 HB2 LYS A 43 -4.674 10.734 -8.466 1.00 0.13 H new ATOM 0 HB3 LYS A 43 -4.123 9.952 -6.997 1.00 0.13 H new ATOM 0 HG2 LYS A 43 -1.846 10.960 -7.368 1.00 32.03 H new ATOM 0 HG3 LYS A 43 -2.485 11.813 -8.759 1.00 32.03 H new ATOM 0 HD2 LYS A 43 -4.153 12.949 -7.292 1.00 24.15 H new ATOM 0 HD3 LYS A 43 -3.503 12.103 -5.902 1.00 24.15 H new ATOM 0 HE2 LYS A 43 -1.254 13.141 -6.381 1.00 72.13 H new ATOM 0 HE3 LYS A 43 -1.989 14.057 -7.681 1.00 72.13 H new ATOM 0 HZ1 LYS A 43 -1.849 15.360 -5.662 1.00 42.51 H new ATOM 0 HZ2 LYS A 43 -3.476 15.098 -6.070 1.00 42.51 H new ATOM 0 HZ3 LYS A 43 -2.763 14.211 -4.810 1.00 42.51 H new ATOM 677 N LEU A 44 -1.050 8.207 -8.763 1.00 23.11 N ATOM 678 CA LEU A 44 0.126 7.592 -8.167 1.00 21.44 C ATOM 679 C LEU A 44 0.877 8.623 -7.335 1.00 4.35 C ATOM 680 O LEU A 44 1.314 9.651 -7.856 1.00 20.25 O ATOM 681 CB LEU A 44 1.026 7.009 -9.269 1.00 51.34 C ATOM 682 CG LEU A 44 2.183 6.120 -8.796 1.00 21.22 C ATOM 683 CD1 LEU A 44 2.618 5.188 -9.914 1.00 23.35 C ATOM 684 CD2 LEU A 44 3.368 6.959 -8.342 1.00 41.12 C ATOM 0 H LEU A 44 -0.948 8.441 -9.750 1.00 23.11 H new ATOM 0 HA LEU A 44 -0.180 6.777 -7.511 1.00 21.44 H new ATOM 0 HB2 LEU A 44 0.403 6.428 -9.949 1.00 51.34 H new ATOM 0 HB3 LEU A 44 1.442 7.836 -9.845 1.00 51.34 H new ATOM 0 HG LEU A 44 1.830 5.532 -7.949 1.00 21.22 H new ATOM 0 HD11 LEU A 44 3.440 4.562 -9.567 1.00 23.35 H new ATOM 0 HD12 LEU A 44 1.780 4.556 -10.208 1.00 23.35 H new ATOM 0 HD13 LEU A 44 2.947 5.776 -10.771 1.00 23.35 H new ATOM 0 HD21 LEU A 44 4.173 6.303 -8.012 1.00 41.12 H new ATOM 0 HD22 LEU A 44 3.718 7.574 -9.171 1.00 41.12 H new ATOM 0 HD23 LEU A 44 3.063 7.603 -7.517 1.00 41.12 H new ATOM 696 N VAL A 45 1.004 8.358 -6.045 1.00 53.31 N ATOM 697 CA VAL A 45 1.707 9.257 -5.143 1.00 63.04 C ATOM 698 C VAL A 45 2.754 8.484 -4.355 1.00 2.11 C ATOM 699 O VAL A 45 2.442 7.491 -3.700 1.00 52.22 O ATOM 700 CB VAL A 45 0.745 9.957 -4.155 1.00 61.34 C ATOM 701 CG1 VAL A 45 1.482 11.012 -3.345 1.00 23.41 C ATOM 702 CG2 VAL A 45 -0.434 10.579 -4.889 1.00 75.53 C ATOM 0 H VAL A 45 0.627 7.523 -5.597 1.00 53.31 H new ATOM 0 HA VAL A 45 2.182 10.024 -5.754 1.00 63.04 H new ATOM 0 HB VAL A 45 0.359 9.201 -3.471 1.00 61.34 H new ATOM 0 HG11 VAL A 45 0.787 11.493 -2.656 1.00 23.41 H new ATOM 0 HG12 VAL A 45 2.286 10.541 -2.780 1.00 23.41 H new ATOM 0 HG13 VAL A 45 1.902 11.760 -4.018 1.00 23.41 H new ATOM 0 HG21 VAL A 45 -1.095 11.065 -4.171 1.00 75.53 H new ATOM 0 HG22 VAL A 45 -0.069 11.317 -5.603 1.00 75.53 H new ATOM 0 HG23 VAL A 45 -0.984 9.801 -5.419 1.00 75.53 H new ATOM 712 N THR A 46 3.994 8.929 -4.434 1.00 35.41 N ATOM 713 CA THR A 46 5.077 8.274 -3.731 1.00 20.42 C ATOM 714 C THR A 46 5.159 8.764 -2.289 1.00 33.11 C ATOM 715 O THR A 46 5.192 9.967 -2.024 1.00 11.51 O ATOM 716 CB THR A 46 6.425 8.531 -4.419 1.00 52.31 C ATOM 717 OG1 THR A 46 6.267 8.485 -5.845 1.00 31.31 O ATOM 718 CG2 THR A 46 7.457 7.498 -3.992 1.00 1.13 C ATOM 0 H THR A 46 4.275 9.744 -4.980 1.00 35.41 H new ATOM 0 HA THR A 46 4.868 7.204 -3.744 1.00 20.42 H new ATOM 0 HB THR A 46 6.774 9.520 -4.121 1.00 52.31 H new ATOM 0 HG1 THR A 46 7.131 8.652 -6.275 1.00 31.31 H new ATOM 0 HG21 THR A 46 8.404 7.701 -4.493 1.00 1.13 H new ATOM 0 HG22 THR A 46 7.599 7.550 -2.913 1.00 1.13 H new ATOM 0 HG23 THR A 46 7.109 6.502 -4.264 1.00 1.13 H new ATOM 726 N PHE A 47 5.200 7.820 -1.372 1.00 65.22 N ATOM 727 CA PHE A 47 5.322 8.112 0.049 1.00 62.20 C ATOM 728 C PHE A 47 6.523 7.374 0.608 1.00 44.42 C ATOM 729 O PHE A 47 7.192 6.637 -0.110 1.00 53.43 O ATOM 730 CB PHE A 47 4.070 7.677 0.822 1.00 45.34 C ATOM 731 CG PHE A 47 2.813 8.406 0.445 1.00 53.33 C ATOM 732 CD1 PHE A 47 2.561 9.677 0.935 1.00 53.51 C ATOM 733 CD2 PHE A 47 1.876 7.813 -0.384 1.00 62.43 C ATOM 734 CE1 PHE A 47 1.395 10.342 0.604 1.00 62.11 C ATOM 735 CE2 PHE A 47 0.710 8.473 -0.720 1.00 24.35 C ATOM 736 CZ PHE A 47 0.469 9.739 -0.225 1.00 1.44 C ATOM 0 H PHE A 47 5.150 6.824 -1.587 1.00 65.22 H new ATOM 0 HA PHE A 47 5.442 9.189 0.164 1.00 62.20 H new ATOM 0 HB2 PHE A 47 3.915 6.610 0.665 1.00 45.34 H new ATOM 0 HB3 PHE A 47 4.250 7.819 1.888 1.00 45.34 H new ATOM 0 HD1 PHE A 47 3.283 10.153 1.582 1.00 53.51 H new ATOM 0 HD2 PHE A 47 2.059 6.822 -0.773 1.00 62.43 H new ATOM 0 HE1 PHE A 47 1.208 11.332 0.993 1.00 62.11 H new ATOM 0 HE2 PHE A 47 -0.012 7.999 -1.369 1.00 24.35 H new ATOM 0 HZ PHE A 47 -0.442 10.257 -0.485 1.00 1.44 H new ATOM 746 N ARG A 48 6.792 7.559 1.885 1.00 44.41 N ATOM 747 CA ARG A 48 7.856 6.820 2.538 1.00 43.23 C ATOM 748 C ARG A 48 7.309 5.496 3.047 1.00 32.25 C ATOM 749 O ARG A 48 6.099 5.329 3.185 1.00 4.24 O ATOM 750 CB ARG A 48 8.427 7.601 3.720 1.00 64.13 C ATOM 751 CG ARG A 48 8.844 9.027 3.406 1.00 13.24 C ATOM 752 CD ARG A 48 9.220 9.756 4.684 1.00 13.02 C ATOM 753 NE ARG A 48 9.475 11.175 4.470 1.00 41.51 N ATOM 754 CZ ARG A 48 8.901 12.143 5.184 1.00 64.54 C ATOM 755 NH1 ARG A 48 8.002 11.841 6.117 1.00 12.01 N ATOM 756 NH2 ARG A 48 9.219 13.408 4.964 1.00 41.32 N ATOM 0 H ARG A 48 6.292 8.211 2.489 1.00 44.41 H new ATOM 0 HA ARG A 48 8.651 6.655 1.811 1.00 43.23 H new ATOM 0 HB2 ARG A 48 7.682 7.623 4.515 1.00 64.13 H new ATOM 0 HB3 ARG A 48 9.292 7.063 4.108 1.00 64.13 H new ATOM 0 HG2 ARG A 48 9.690 9.023 2.718 1.00 13.24 H new ATOM 0 HG3 ARG A 48 8.029 9.550 2.906 1.00 13.24 H new ATOM 0 HD2 ARG A 48 8.417 9.641 5.412 1.00 13.02 H new ATOM 0 HD3 ARG A 48 10.108 9.293 5.114 1.00 13.02 H new ATOM 0 HE ARG A 48 10.128 11.442 3.734 1.00 41.51 H new ATOM 0 HH11 ARG A 48 7.751 10.867 6.287 1.00 12.01 H new ATOM 0 HH12 ARG A 48 7.564 12.583 6.662 1.00 12.01 H new ATOM 0 HH21 ARG A 48 9.905 13.644 4.247 1.00 41.32 H new ATOM 0 HH22 ARG A 48 8.778 14.147 5.512 1.00 41.32 H new ATOM 770 N LEU A 49 8.201 4.574 3.348 1.00 64.53 N ATOM 771 CA LEU A 49 7.824 3.308 3.946 1.00 11.10 C ATOM 772 C LEU A 49 7.353 3.561 5.365 1.00 23.51 C ATOM 773 O LEU A 49 6.479 2.870 5.884 1.00 33.31 O ATOM 774 CB LEU A 49 9.015 2.347 3.947 1.00 34.11 C ATOM 775 CG LEU A 49 9.311 1.629 2.626 1.00 71.31 C ATOM 776 CD1 LEU A 49 8.280 0.546 2.360 1.00 63.02 C ATOM 777 CD2 LEU A 49 9.359 2.599 1.458 1.00 3.31 C ATOM 0 H LEU A 49 9.203 4.679 3.186 1.00 64.53 H new ATOM 0 HA LEU A 49 7.020 2.853 3.367 1.00 11.10 H new ATOM 0 HB2 LEU A 49 9.904 2.905 4.239 1.00 34.11 H new ATOM 0 HB3 LEU A 49 8.845 1.593 4.715 1.00 34.11 H new ATOM 0 HG LEU A 49 10.294 1.168 2.722 1.00 71.31 H new ATOM 0 HD11 LEU A 49 8.509 0.049 1.417 1.00 63.02 H new ATOM 0 HD12 LEU A 49 8.302 -0.184 3.169 1.00 63.02 H new ATOM 0 HD13 LEU A 49 7.288 0.994 2.302 1.00 63.02 H new ATOM 0 HD21 LEU A 49 9.571 2.052 0.539 1.00 3.31 H new ATOM 0 HD22 LEU A 49 8.398 3.105 1.365 1.00 3.31 H new ATOM 0 HD23 LEU A 49 10.142 3.337 1.630 1.00 3.31 H new ATOM 789 N SER A 50 7.937 4.585 5.974 1.00 12.05 N ATOM 790 CA SER A 50 7.544 5.025 7.298 1.00 15.05 C ATOM 791 C SER A 50 6.143 5.621 7.267 1.00 15.44 C ATOM 792 O SER A 50 5.459 5.676 8.288 1.00 24.42 O ATOM 793 CB SER A 50 8.542 6.062 7.810 1.00 1.25 C ATOM 794 OG SER A 50 8.743 7.087 6.846 1.00 50.10 O ATOM 0 H SER A 50 8.694 5.130 5.562 1.00 12.05 H new ATOM 0 HA SER A 50 7.539 4.166 7.969 1.00 15.05 H new ATOM 0 HB2 SER A 50 8.176 6.498 8.740 1.00 1.25 H new ATOM 0 HB3 SER A 50 9.492 5.578 8.037 1.00 1.25 H new ATOM 0 HG SER A 50 8.037 7.761 6.933 1.00 50.10 H new ATOM 800 N GLU A 51 5.708 6.046 6.085 1.00 54.30 N ATOM 801 CA GLU A 51 4.414 6.719 5.968 1.00 53.12 C ATOM 802 C GLU A 51 3.287 5.716 5.756 1.00 53.44 C ATOM 803 O GLU A 51 2.109 6.080 5.783 1.00 34.43 O ATOM 804 CB GLU A 51 4.408 7.728 4.815 1.00 65.02 C ATOM 805 CG GLU A 51 5.526 8.756 4.872 1.00 52.30 C ATOM 806 CD GLU A 51 5.685 9.393 6.235 1.00 23.04 C ATOM 807 OE1 GLU A 51 4.697 9.952 6.754 1.00 65.23 O ATOM 808 OE2 GLU A 51 6.800 9.328 6.795 1.00 23.25 O ATOM 0 H GLU A 51 6.219 5.941 5.209 1.00 54.30 H new ATOM 0 HA GLU A 51 4.251 7.250 6.906 1.00 53.12 H new ATOM 0 HB2 GLU A 51 4.479 7.185 3.873 1.00 65.02 H new ATOM 0 HB3 GLU A 51 3.451 8.250 4.811 1.00 65.02 H new ATOM 0 HG2 GLU A 51 6.464 8.278 4.590 1.00 52.30 H new ATOM 0 HG3 GLU A 51 5.332 9.535 4.135 1.00 52.30 H new ATOM 815 N LEU A 52 3.648 4.460 5.550 1.00 43.43 N ATOM 816 CA LEU A 52 2.682 3.443 5.191 1.00 53.33 C ATOM 817 C LEU A 52 2.691 2.284 6.178 1.00 51.50 C ATOM 818 O LEU A 52 3.681 2.053 6.877 1.00 41.33 O ATOM 819 CB LEU A 52 3.012 2.912 3.799 1.00 31.25 C ATOM 820 CG LEU A 52 3.058 3.961 2.692 1.00 12.53 C ATOM 821 CD1 LEU A 52 3.649 3.365 1.426 1.00 74.33 C ATOM 822 CD2 LEU A 52 1.669 4.517 2.424 1.00 42.11 C ATOM 0 H LEU A 52 4.608 4.123 5.626 1.00 43.43 H new ATOM 0 HA LEU A 52 1.691 3.896 5.209 1.00 53.33 H new ATOM 0 HB2 LEU A 52 3.978 2.409 3.840 1.00 31.25 H new ATOM 0 HB3 LEU A 52 2.272 2.158 3.531 1.00 31.25 H new ATOM 0 HG LEU A 52 3.696 4.782 3.019 1.00 12.53 H new ATOM 0 HD11 LEU A 52 3.676 4.124 0.644 1.00 74.33 H new ATOM 0 HD12 LEU A 52 4.662 3.015 1.627 1.00 74.33 H new ATOM 0 HD13 LEU A 52 3.034 2.527 1.097 1.00 74.33 H new ATOM 0 HD21 LEU A 52 1.723 5.264 1.632 1.00 42.11 H new ATOM 0 HD22 LEU A 52 1.006 3.708 2.116 1.00 42.11 H new ATOM 0 HD23 LEU A 52 1.281 4.979 3.332 1.00 42.11 H new ATOM 834 N GLU A 53 1.578 1.571 6.236 1.00 4.24 N ATOM 835 CA GLU A 53 1.520 0.289 6.919 1.00 43.42 C ATOM 836 C GLU A 53 0.903 -0.744 5.988 1.00 24.33 C ATOM 837 O GLU A 53 0.051 -0.410 5.160 1.00 33.31 O ATOM 838 CB GLU A 53 0.729 0.375 8.230 1.00 52.14 C ATOM 839 CG GLU A 53 -0.702 0.861 8.074 1.00 3.42 C ATOM 840 CD GLU A 53 -1.489 0.754 9.366 1.00 32.52 C ATOM 841 OE1 GLU A 53 -1.005 1.246 10.407 1.00 1.43 O ATOM 842 OE2 GLU A 53 -2.585 0.156 9.355 1.00 45.21 O ATOM 0 H GLU A 53 0.696 1.862 5.815 1.00 4.24 H new ATOM 0 HA GLU A 53 2.535 -0.009 7.180 1.00 43.42 H new ATOM 0 HB2 GLU A 53 0.716 -0.610 8.696 1.00 52.14 H new ATOM 0 HB3 GLU A 53 1.254 1.044 8.913 1.00 52.14 H new ATOM 0 HG2 GLU A 53 -0.697 1.898 7.739 1.00 3.42 H new ATOM 0 HG3 GLU A 53 -1.199 0.278 7.299 1.00 3.42 H new ATOM 849 N ALA A 54 1.342 -1.986 6.107 1.00 2.41 N ATOM 850 CA ALA A 54 0.891 -3.038 5.212 1.00 11.24 C ATOM 851 C ALA A 54 -0.487 -3.544 5.611 1.00 14.22 C ATOM 852 O ALA A 54 -0.740 -3.828 6.782 1.00 31.14 O ATOM 853 CB ALA A 54 1.890 -4.185 5.193 1.00 74.30 C ATOM 0 H ALA A 54 2.010 -2.290 6.815 1.00 2.41 H new ATOM 0 HA ALA A 54 0.820 -2.618 4.209 1.00 11.24 H new ATOM 0 HB1 ALA A 54 1.537 -4.964 4.518 1.00 74.30 H new ATOM 0 HB2 ALA A 54 2.858 -3.819 4.850 1.00 74.30 H new ATOM 0 HB3 ALA A 54 1.993 -4.595 6.198 1.00 74.30 H new ATOM 859 N VAL A 55 -1.375 -3.655 4.636 1.00 61.11 N ATOM 860 CA VAL A 55 -2.712 -4.168 4.882 1.00 22.43 C ATOM 861 C VAL A 55 -2.729 -5.669 4.602 1.00 21.42 C ATOM 862 O VAL A 55 -1.733 -6.230 4.140 1.00 33.42 O ATOM 863 CB VAL A 55 -3.775 -3.460 4.006 1.00 12.51 C ATOM 864 CG1 VAL A 55 -5.173 -3.639 4.584 1.00 33.40 C ATOM 865 CG2 VAL A 55 -3.454 -1.981 3.848 1.00 72.50 C ATOM 0 H VAL A 55 -1.193 -3.396 3.666 1.00 61.11 H new ATOM 0 HA VAL A 55 -2.965 -3.972 5.924 1.00 22.43 H new ATOM 0 HB VAL A 55 -3.751 -3.925 3.021 1.00 12.51 H new ATOM 0 HG11 VAL A 55 -5.898 -3.131 3.948 1.00 33.40 H new ATOM 0 HG12 VAL A 55 -5.414 -4.701 4.632 1.00 33.40 H new ATOM 0 HG13 VAL A 55 -5.209 -3.213 5.587 1.00 33.40 H new ATOM 0 HG21 VAL A 55 -4.216 -1.507 3.229 1.00 72.50 H new ATOM 0 HG22 VAL A 55 -3.437 -1.506 4.829 1.00 72.50 H new ATOM 0 HG23 VAL A 55 -2.479 -1.869 3.373 1.00 72.50 H new