USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 644 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 CYS SG : rot 42:sc= 1.19 USER MOD Set 1.2: A 85 TYR OH : rot 64:sc= 1.41 USER MOD Single : A 5 HIS : no HE2:sc= 0.25 K(o=0.25,f=-1.4) USER MOD Single : A 12 HIS : no HE2:sc= -0.0242 K(o=-0.024,f=-3.1) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -29:sc= 0.381 USER MOD Single : A 22 CYS SG : rot 33:sc= 0.0949 USER MOD Single : A 24 MET CE :methyl 159:sc= -0.032 (180deg=-0.301) USER MOD Single : A 27 CYS SG : rot -50:sc= -1.61! USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 159:sc= 1.05 (180deg=0.469) USER MOD Single : A 43 GLN : amide:sc= 0.0114 X(o=0.011,f=-0.45) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.0147 F(o=-2.4!,f=-0.015) USER MOD Single : A 59 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.0096) USER MOD Single : A 67 THR OG1 : rot 81:sc= -0.0813 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0201 K(o=-0.02,f=-0.92!) USER MOD Single : A 77 CYS SG : rot -43:sc= -3.49! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N VAL A 4 -10.829 -12.483 -2.538 1.00 33.52 N ATOM 51 CA VAL A 4 -9.719 -11.523 -2.370 1.00 64.12 C ATOM 52 C VAL A 4 -9.866 -10.719 -1.047 1.00 44.52 C ATOM 53 O VAL A 4 -10.586 -9.715 -0.956 1.00 43.13 O ATOM 54 CB VAL A 4 -9.572 -10.575 -3.630 1.00 1.50 C ATOM 55 CG1 VAL A 4 -10.906 -9.909 -4.028 1.00 51.44 C ATOM 56 CG2 VAL A 4 -8.440 -9.528 -3.425 1.00 71.43 C ATOM 0 HA VAL A 4 -8.794 -12.095 -2.298 1.00 64.12 H new ATOM 0 HB VAL A 4 -9.284 -11.209 -4.469 1.00 1.50 H new ATOM 0 HG11 VAL A 4 -10.749 -9.270 -4.897 1.00 51.44 H new ATOM 0 HG12 VAL A 4 -11.639 -10.679 -4.271 1.00 51.44 H new ATOM 0 HG13 VAL A 4 -11.274 -9.307 -3.197 1.00 51.44 H new ATOM 0 HG21 VAL A 4 -8.366 -8.894 -4.309 1.00 71.43 H new ATOM 0 HG22 VAL A 4 -8.667 -8.912 -2.555 1.00 71.43 H new ATOM 0 HG23 VAL A 4 -7.492 -10.043 -3.268 1.00 71.43 H new ATOM 66 N HIS A 5 -9.237 -11.255 0.002 1.00 33.23 N ATOM 67 CA HIS A 5 -9.131 -10.601 1.321 1.00 31.55 C ATOM 68 C HIS A 5 -7.650 -10.282 1.612 1.00 14.04 C ATOM 69 O HIS A 5 -6.759 -11.079 1.285 1.00 14.41 O ATOM 70 CB HIS A 5 -9.759 -11.502 2.424 1.00 52.15 C ATOM 71 CG HIS A 5 -11.270 -11.599 2.340 1.00 45.53 C ATOM 72 ND1 HIS A 5 -12.113 -11.170 3.341 1.00 15.53 N ATOM 73 CD2 HIS A 5 -12.084 -12.050 1.352 1.00 24.22 C ATOM 74 CE1 HIS A 5 -13.365 -11.347 2.972 1.00 52.44 C ATOM 75 NE2 HIS A 5 -13.377 -11.884 1.775 1.00 23.22 N ATOM 0 H HIS A 5 -8.780 -12.166 -0.035 1.00 33.23 H new ATOM 0 HA HIS A 5 -9.688 -9.664 1.317 1.00 31.55 H new ATOM 0 HB2 HIS A 5 -9.334 -12.503 2.349 1.00 52.15 H new ATOM 0 HB3 HIS A 5 -9.482 -11.110 3.403 1.00 52.15 H new ATOM 0 HD1 HIS A 5 -11.813 -10.775 4.233 1.00 15.53 H new ATOM 0 HD2 HIS A 5 -11.770 -12.464 0.405 1.00 24.22 H new ATOM 0 HE1 HIS A 5 -14.236 -11.093 3.557 1.00 52.44 H new ATOM 84 N ILE A 6 -7.402 -9.107 2.208 1.00 65.42 N ATOM 85 CA ILE A 6 -6.039 -8.601 2.455 1.00 42.41 C ATOM 86 C ILE A 6 -5.355 -9.407 3.584 1.00 2.20 C ATOM 87 O ILE A 6 -5.752 -9.335 4.750 1.00 24.31 O ATOM 88 CB ILE A 6 -6.063 -7.065 2.793 1.00 24.04 C ATOM 89 CG1 ILE A 6 -6.802 -6.283 1.655 1.00 70.51 C ATOM 90 CG2 ILE A 6 -4.624 -6.512 3.003 1.00 32.01 C ATOM 91 CD1 ILE A 6 -6.920 -4.784 1.872 1.00 32.21 C ATOM 0 H ILE A 6 -8.138 -8.480 2.533 1.00 65.42 H new ATOM 0 HA ILE A 6 -5.456 -8.733 1.544 1.00 42.41 H new ATOM 0 HB ILE A 6 -6.606 -6.924 3.728 1.00 24.04 H new ATOM 0 HG12 ILE A 6 -6.277 -6.458 0.716 1.00 70.51 H new ATOM 0 HG13 ILE A 6 -7.804 -6.698 1.542 1.00 70.51 H new ATOM 0 HG21 ILE A 6 -4.673 -5.448 3.235 1.00 32.01 H new ATOM 0 HG22 ILE A 6 -4.147 -7.042 3.828 1.00 32.01 H new ATOM 0 HG23 ILE A 6 -4.042 -6.658 2.093 1.00 32.01 H new ATOM 0 HD11 ILE A 6 -7.446 -4.335 1.030 1.00 32.21 H new ATOM 0 HD12 ILE A 6 -7.474 -4.592 2.791 1.00 32.21 H new ATOM 0 HD13 ILE A 6 -5.924 -4.348 1.951 1.00 32.21 H new ATOM 103 N VAL A 7 -4.345 -10.199 3.199 1.00 13.22 N ATOM 104 CA VAL A 7 -3.605 -11.078 4.127 1.00 21.24 C ATOM 105 C VAL A 7 -2.575 -10.296 4.984 1.00 14.35 C ATOM 106 O VAL A 7 -2.301 -10.684 6.124 1.00 4.55 O ATOM 107 CB VAL A 7 -2.914 -12.266 3.355 1.00 10.14 C ATOM 108 CG1 VAL A 7 -3.970 -13.258 2.797 1.00 3.42 C ATOM 109 CG2 VAL A 7 -2.003 -11.746 2.215 1.00 62.15 C ATOM 0 H VAL A 7 -4.015 -10.251 2.235 1.00 13.22 H new ATOM 0 HA VAL A 7 -4.337 -11.499 4.816 1.00 21.24 H new ATOM 0 HB VAL A 7 -2.287 -12.798 4.071 1.00 10.14 H new ATOM 0 HG11 VAL A 7 -3.466 -14.067 2.269 1.00 3.42 H new ATOM 0 HG12 VAL A 7 -4.553 -13.670 3.621 1.00 3.42 H new ATOM 0 HG13 VAL A 7 -4.633 -12.734 2.109 1.00 3.42 H new ATOM 0 HG21 VAL A 7 -1.542 -12.591 1.703 1.00 62.15 H new ATOM 0 HG22 VAL A 7 -2.600 -11.173 1.505 1.00 62.15 H new ATOM 0 HG23 VAL A 7 -1.225 -11.107 2.633 1.00 62.15 H new ATOM 119 N ASP A 8 -2.016 -9.197 4.426 1.00 31.41 N ATOM 120 CA ASP A 8 -1.092 -8.297 5.159 1.00 34.23 C ATOM 121 C ASP A 8 -0.886 -6.963 4.383 1.00 0.55 C ATOM 122 O ASP A 8 -0.596 -7.000 3.194 1.00 42.42 O ATOM 123 CB ASP A 8 0.282 -8.986 5.399 1.00 1.33 C ATOM 124 CG ASP A 8 1.222 -8.124 6.262 1.00 51.32 C ATOM 125 OD1 ASP A 8 1.015 -8.056 7.495 1.00 64.01 O ATOM 126 OD2 ASP A 8 2.144 -7.483 5.710 1.00 44.10 O ATOM 0 H ASP A 8 -2.190 -8.910 3.463 1.00 31.41 H new ATOM 0 HA ASP A 8 -1.545 -8.075 6.125 1.00 34.23 H new ATOM 0 HB2 ASP A 8 0.124 -9.948 5.887 1.00 1.33 H new ATOM 0 HB3 ASP A 8 0.757 -9.189 4.439 1.00 1.33 H new ATOM 131 N PRO A 9 -1.019 -5.756 5.033 1.00 1.54 N ATOM 132 CA PRO A 9 -1.458 -5.596 6.435 1.00 22.04 C ATOM 133 C PRO A 9 -3.002 -5.464 6.572 1.00 32.11 C ATOM 134 O PRO A 9 -3.678 -4.850 5.739 1.00 11.13 O ATOM 135 CB PRO A 9 -0.731 -4.298 6.858 1.00 13.35 C ATOM 136 CG PRO A 9 -0.699 -3.462 5.611 1.00 54.54 C ATOM 137 CD PRO A 9 -0.699 -4.434 4.431 1.00 71.42 C ATOM 0 HA PRO A 9 -1.219 -6.459 7.056 1.00 22.04 H new ATOM 0 HB2 PRO A 9 -1.262 -3.790 7.663 1.00 13.35 H new ATOM 0 HB3 PRO A 9 0.275 -4.507 7.222 1.00 13.35 H new ATOM 0 HG2 PRO A 9 -1.563 -2.800 5.567 1.00 54.54 H new ATOM 0 HG3 PRO A 9 0.189 -2.830 5.592 1.00 54.54 H new ATOM 0 HD2 PRO A 9 -1.439 -4.149 3.683 1.00 71.42 H new ATOM 0 HD3 PRO A 9 0.269 -4.450 3.931 1.00 71.42 H new ATOM 145 N ARG A 10 -3.540 -6.069 7.627 1.00 55.41 N ATOM 146 CA ARG A 10 -4.962 -5.949 8.006 1.00 22.40 C ATOM 147 C ARG A 10 -5.139 -4.744 8.953 1.00 41.30 C ATOM 148 O ARG A 10 -6.217 -4.161 9.048 1.00 35.22 O ATOM 149 CB ARG A 10 -5.414 -7.254 8.707 1.00 34.45 C ATOM 150 CG ARG A 10 -5.142 -8.530 7.881 1.00 64.23 C ATOM 151 CD ARG A 10 -5.376 -9.818 8.682 1.00 74.21 C ATOM 152 NE ARG A 10 -5.009 -11.013 7.904 1.00 52.12 N ATOM 153 CZ ARG A 10 -4.204 -11.979 8.299 1.00 74.34 C ATOM 154 NH1 ARG A 10 -3.617 -11.946 9.454 1.00 72.24 N ATOM 155 NH2 ARG A 10 -3.987 -12.980 7.515 1.00 41.05 N ATOM 0 H ARG A 10 -3.002 -6.665 8.256 1.00 55.41 H new ATOM 0 HA ARG A 10 -5.573 -5.792 7.117 1.00 22.40 H new ATOM 0 HB2 ARG A 10 -4.902 -7.337 9.666 1.00 34.45 H new ATOM 0 HB3 ARG A 10 -6.481 -7.191 8.920 1.00 34.45 H new ATOM 0 HG2 ARG A 10 -5.786 -8.532 7.002 1.00 64.23 H new ATOM 0 HG3 ARG A 10 -4.113 -8.513 7.522 1.00 64.23 H new ATOM 0 HD2 ARG A 10 -4.791 -9.787 9.601 1.00 74.21 H new ATOM 0 HD3 ARG A 10 -6.424 -9.881 8.974 1.00 74.21 H new ATOM 0 HE ARG A 10 -5.416 -11.101 6.973 1.00 52.12 H new ATOM 0 HH11 ARG A 10 -3.773 -11.158 10.083 1.00 72.24 H new ATOM 0 HH12 ARG A 10 -2.999 -12.708 9.734 1.00 72.24 H new ATOM 0 HH21 ARG A 10 -4.436 -13.018 6.600 1.00 41.05 H new ATOM 0 HH22 ARG A 10 -3.366 -13.733 7.810 1.00 41.05 H new ATOM 169 N GLU A 11 -4.036 -4.396 9.639 1.00 72.41 N ATOM 170 CA GLU A 11 -3.974 -3.311 10.630 1.00 63.50 C ATOM 171 C GLU A 11 -3.829 -1.920 9.956 1.00 25.43 C ATOM 172 O GLU A 11 -3.279 -1.801 8.854 1.00 34.44 O ATOM 173 CB GLU A 11 -2.772 -3.582 11.587 1.00 41.25 C ATOM 174 CG GLU A 11 -2.629 -2.616 12.782 1.00 63.13 C ATOM 175 CD GLU A 11 -3.840 -2.644 13.738 1.00 34.21 C ATOM 176 OE1 GLU A 11 -3.863 -3.479 14.668 1.00 53.14 O ATOM 177 OE2 GLU A 11 -4.788 -1.851 13.548 1.00 1.21 O ATOM 0 H GLU A 11 -3.143 -4.873 9.516 1.00 72.41 H new ATOM 0 HA GLU A 11 -4.908 -3.293 11.192 1.00 63.50 H new ATOM 0 HB2 GLU A 11 -2.863 -4.597 11.974 1.00 41.25 H new ATOM 0 HB3 GLU A 11 -1.852 -3.545 11.003 1.00 41.25 H new ATOM 0 HG2 GLU A 11 -1.728 -2.871 13.340 1.00 63.13 H new ATOM 0 HG3 GLU A 11 -2.495 -1.602 12.406 1.00 63.13 H new ATOM 184 N HIS A 12 -4.335 -0.876 10.640 1.00 51.03 N ATOM 185 CA HIS A 12 -4.165 0.531 10.217 1.00 44.32 C ATOM 186 C HIS A 12 -2.743 1.048 10.591 1.00 31.52 C ATOM 187 O HIS A 12 -2.451 1.346 11.755 1.00 12.21 O ATOM 188 CB HIS A 12 -5.301 1.426 10.808 1.00 22.54 C ATOM 189 CG HIS A 12 -5.599 1.233 12.280 1.00 44.44 C ATOM 190 ND1 HIS A 12 -4.732 1.599 13.284 1.00 32.12 N ATOM 191 CD2 HIS A 12 -6.684 0.722 12.909 1.00 61.31 C ATOM 192 CE1 HIS A 12 -5.261 1.321 14.453 1.00 13.44 C ATOM 193 NE2 HIS A 12 -6.445 0.783 14.258 1.00 24.11 N ATOM 0 H HIS A 12 -4.873 -0.982 11.500 1.00 51.03 H new ATOM 0 HA HIS A 12 -4.249 0.587 9.132 1.00 44.32 H new ATOM 0 HB2 HIS A 12 -5.035 2.471 10.645 1.00 22.54 H new ATOM 0 HB3 HIS A 12 -6.215 1.238 10.245 1.00 22.54 H new ATOM 0 HD1 HIS A 12 -3.815 2.023 13.141 1.00 32.12 H new ATOM 0 HD2 HIS A 12 -7.575 0.337 12.435 1.00 61.31 H new ATOM 0 HE1 HIS A 12 -4.801 1.503 15.413 1.00 13.44 H new ATOM 202 N VAL A 13 -1.861 1.141 9.581 1.00 62.13 N ATOM 203 CA VAL A 13 -0.428 1.473 9.773 1.00 12.34 C ATOM 204 C VAL A 13 -0.199 3.008 9.803 1.00 63.44 C ATOM 205 O VAL A 13 -0.330 3.687 8.781 1.00 13.21 O ATOM 206 CB VAL A 13 0.450 0.822 8.637 1.00 4.42 C ATOM 207 CG1 VAL A 13 1.964 1.104 8.839 1.00 31.51 C ATOM 208 CG2 VAL A 13 0.172 -0.701 8.530 1.00 20.11 C ATOM 0 H VAL A 13 -2.116 0.989 8.605 1.00 62.13 H new ATOM 0 HA VAL A 13 -0.125 1.064 10.737 1.00 12.34 H new ATOM 0 HB VAL A 13 0.162 1.288 7.695 1.00 4.42 H new ATOM 0 HG11 VAL A 13 2.532 0.637 8.034 1.00 31.51 H new ATOM 0 HG12 VAL A 13 2.138 2.180 8.829 1.00 31.51 H new ATOM 0 HG13 VAL A 13 2.286 0.693 9.796 1.00 31.51 H new ATOM 0 HG21 VAL A 13 0.789 -1.129 7.740 1.00 20.11 H new ATOM 0 HG22 VAL A 13 0.412 -1.182 9.478 1.00 20.11 H new ATOM 0 HG23 VAL A 13 -0.880 -0.863 8.297 1.00 20.11 H new ATOM 218 N PHE A 14 0.123 3.539 10.998 1.00 42.15 N ATOM 219 CA PHE A 14 0.494 4.963 11.176 1.00 33.44 C ATOM 220 C PHE A 14 1.977 5.188 10.788 1.00 23.44 C ATOM 221 O PHE A 14 2.881 4.680 11.455 1.00 14.11 O ATOM 222 CB PHE A 14 0.248 5.409 12.645 1.00 53.21 C ATOM 223 CG PHE A 14 -1.225 5.445 13.046 1.00 24.21 C ATOM 224 CD1 PHE A 14 -1.982 6.601 12.865 1.00 43.04 C ATOM 225 CD2 PHE A 14 -1.853 4.329 13.599 1.00 40.54 C ATOM 226 CE1 PHE A 14 -3.315 6.643 13.220 1.00 52.42 C ATOM 227 CE2 PHE A 14 -3.187 4.372 13.952 1.00 71.42 C ATOM 228 CZ PHE A 14 -3.917 5.530 13.765 1.00 31.34 C ATOM 0 H PHE A 14 0.135 3.000 11.864 1.00 42.15 H new ATOM 0 HA PHE A 14 -0.133 5.567 10.520 1.00 33.44 H new ATOM 0 HB2 PHE A 14 0.779 4.731 13.313 1.00 53.21 H new ATOM 0 HB3 PHE A 14 0.677 6.400 12.789 1.00 53.21 H new ATOM 0 HD1 PHE A 14 -1.518 7.479 12.440 1.00 43.04 H new ATOM 0 HD2 PHE A 14 -1.289 3.421 13.753 1.00 40.54 H new ATOM 0 HE1 PHE A 14 -3.886 7.548 13.071 1.00 52.42 H new ATOM 0 HE2 PHE A 14 -3.661 3.499 14.375 1.00 71.42 H new ATOM 0 HZ PHE A 14 -4.959 5.563 14.046 1.00 31.34 H new ATOM 238 N VAL A 15 2.198 5.939 9.698 1.00 65.42 N ATOM 239 CA VAL A 15 3.537 6.248 9.147 1.00 4.04 C ATOM 240 C VAL A 15 3.956 7.701 9.473 1.00 70.24 C ATOM 241 O VAL A 15 3.138 8.609 9.421 1.00 63.35 O ATOM 242 CB VAL A 15 3.534 6.015 7.591 1.00 5.34 C ATOM 243 CG1 VAL A 15 4.893 6.382 6.940 1.00 41.14 C ATOM 244 CG2 VAL A 15 3.144 4.549 7.281 1.00 1.23 C ATOM 0 H VAL A 15 1.440 6.359 9.161 1.00 65.42 H new ATOM 0 HA VAL A 15 4.264 5.582 9.612 1.00 4.04 H new ATOM 0 HB VAL A 15 2.791 6.682 7.153 1.00 5.34 H new ATOM 0 HG11 VAL A 15 4.842 6.204 5.866 1.00 41.14 H new ATOM 0 HG12 VAL A 15 5.112 7.434 7.124 1.00 41.14 H new ATOM 0 HG13 VAL A 15 5.682 5.766 7.372 1.00 41.14 H new ATOM 0 HG21 VAL A 15 3.143 4.393 6.202 1.00 1.23 H new ATOM 0 HG22 VAL A 15 3.864 3.875 7.745 1.00 1.23 H new ATOM 0 HG23 VAL A 15 2.149 4.345 7.678 1.00 1.23 H new ATOM 254 N HIS A 16 5.243 7.910 9.810 1.00 71.42 N ATOM 255 CA HIS A 16 5.789 9.251 10.145 1.00 43.15 C ATOM 256 C HIS A 16 6.844 9.663 9.090 1.00 45.12 C ATOM 257 O HIS A 16 7.925 9.066 9.024 1.00 64.43 O ATOM 258 CB HIS A 16 6.398 9.223 11.569 1.00 10.35 C ATOM 259 CG HIS A 16 5.463 8.638 12.597 1.00 32.31 C ATOM 260 ND1 HIS A 16 5.530 7.323 13.002 1.00 62.13 N ATOM 261 CD2 HIS A 16 4.413 9.174 13.264 1.00 2.02 C ATOM 262 CE1 HIS A 16 4.575 7.076 13.863 1.00 21.44 C ATOM 263 NE2 HIS A 16 3.881 8.177 14.042 1.00 13.14 N ATOM 0 H HIS A 16 5.935 7.162 9.859 1.00 71.42 H new ATOM 0 HA HIS A 16 4.989 9.991 10.131 1.00 43.15 H new ATOM 0 HB2 HIS A 16 7.320 8.643 11.553 1.00 10.35 H new ATOM 0 HB3 HIS A 16 6.665 10.238 11.864 1.00 10.35 H new ATOM 0 HD2 HIS A 16 4.061 10.193 13.196 1.00 2.02 H new ATOM 0 HE1 HIS A 16 4.389 6.127 14.345 1.00 21.44 H new ATOM 0 HE2 HIS A 16 3.076 8.275 14.660 1.00 13.14 H new ATOM 272 N ALA A 17 6.515 10.666 8.253 1.00 12.31 N ATOM 273 CA ALA A 17 7.379 11.099 7.128 1.00 22.31 C ATOM 274 C ALA A 17 7.737 12.596 7.205 1.00 11.14 C ATOM 275 O ALA A 17 7.125 13.355 7.946 1.00 2.13 O ATOM 276 CB ALA A 17 6.676 10.792 5.801 1.00 13.35 C ATOM 0 H ALA A 17 5.649 11.199 8.333 1.00 12.31 H new ATOM 0 HA ALA A 17 8.315 10.545 7.194 1.00 22.31 H new ATOM 0 HB1 ALA A 17 7.309 11.109 4.972 1.00 13.35 H new ATOM 0 HB2 ALA A 17 6.491 9.720 5.727 1.00 13.35 H new ATOM 0 HB3 ALA A 17 5.728 11.328 5.759 1.00 13.35 H new ATOM 282 N ILE A 18 8.761 12.983 6.429 1.00 51.01 N ATOM 283 CA ILE A 18 9.194 14.388 6.203 1.00 61.35 C ATOM 284 C ILE A 18 9.435 14.555 4.660 1.00 43.44 C ATOM 285 O ILE A 18 9.449 13.554 3.932 1.00 1.34 O ATOM 286 CB ILE A 18 10.512 14.736 7.035 1.00 71.32 C ATOM 287 CG1 ILE A 18 10.358 14.399 8.561 1.00 53.40 C ATOM 288 CG2 ILE A 18 10.943 16.221 6.874 1.00 52.55 C ATOM 289 CD1 ILE A 18 9.348 15.258 9.322 1.00 50.24 C ATOM 0 H ILE A 18 9.336 12.311 5.920 1.00 51.01 H new ATOM 0 HA ILE A 18 8.426 15.080 6.549 1.00 61.35 H new ATOM 0 HB ILE A 18 11.294 14.103 6.615 1.00 71.32 H new ATOM 0 HG12 ILE A 18 10.066 13.353 8.657 1.00 53.40 H new ATOM 0 HG13 ILE A 18 11.332 14.503 9.039 1.00 53.40 H new ATOM 0 HG21 ILE A 18 11.844 16.404 7.460 1.00 52.55 H new ATOM 0 HG22 ILE A 18 11.145 16.429 5.823 1.00 52.55 H new ATOM 0 HG23 ILE A 18 10.143 16.872 7.226 1.00 52.55 H new ATOM 0 HD11 ILE A 18 9.318 14.945 10.366 1.00 50.24 H new ATOM 0 HD12 ILE A 18 9.645 16.305 9.266 1.00 50.24 H new ATOM 0 HD13 ILE A 18 8.360 15.137 8.878 1.00 50.24 H new ATOM 301 N THR A 19 9.601 15.808 4.170 1.00 21.51 N ATOM 302 CA THR A 19 9.825 16.125 2.724 1.00 73.24 C ATOM 303 C THR A 19 10.971 15.300 2.060 1.00 44.21 C ATOM 304 O THR A 19 10.889 14.975 0.873 1.00 23.54 O ATOM 305 CB THR A 19 10.147 17.645 2.513 1.00 31.20 C ATOM 306 OG1 THR A 19 11.360 17.989 3.200 1.00 22.43 O ATOM 307 CG2 THR A 19 9.015 18.556 3.015 1.00 1.31 C ATOM 0 H THR A 19 9.584 16.637 4.764 1.00 21.51 H new ATOM 0 HA THR A 19 8.886 15.853 2.242 1.00 73.24 H new ATOM 0 HB THR A 19 10.258 17.802 1.440 1.00 31.20 H new ATOM 0 HG1 THR A 19 11.556 18.939 3.062 1.00 22.43 H new ATOM 0 HG21 THR A 19 9.285 19.598 2.847 1.00 1.31 H new ATOM 0 HG22 THR A 19 8.097 18.327 2.474 1.00 1.31 H new ATOM 0 HG23 THR A 19 8.859 18.389 4.081 1.00 1.31 H new ATOM 315 N SER A 20 12.037 14.980 2.826 1.00 1.13 N ATOM 316 CA SER A 20 13.227 14.242 2.300 1.00 34.31 C ATOM 317 C SER A 20 13.127 12.705 2.522 1.00 15.24 C ATOM 318 O SER A 20 13.986 11.947 2.051 1.00 63.20 O ATOM 319 CB SER A 20 14.519 14.801 2.950 1.00 52.42 C ATOM 320 OG SER A 20 15.691 14.163 2.458 1.00 1.44 O ATOM 0 H SER A 20 12.106 15.218 3.815 1.00 1.13 H new ATOM 0 HA SER A 20 13.258 14.400 1.222 1.00 34.31 H new ATOM 0 HB2 SER A 20 14.584 15.872 2.760 1.00 52.42 H new ATOM 0 HB3 SER A 20 14.464 14.672 4.031 1.00 52.42 H new ATOM 0 HG SER A 20 15.477 13.243 2.197 1.00 1.44 H new ATOM 326 N GLU A 21 12.069 12.245 3.222 1.00 71.01 N ATOM 327 CA GLU A 21 11.875 10.809 3.548 1.00 52.15 C ATOM 328 C GLU A 21 11.260 10.023 2.367 1.00 14.14 C ATOM 329 O GLU A 21 10.237 10.426 1.795 1.00 75.05 O ATOM 330 CB GLU A 21 10.991 10.643 4.818 1.00 42.44 C ATOM 331 CG GLU A 21 11.619 11.204 6.111 1.00 51.05 C ATOM 332 CD GLU A 21 12.923 10.497 6.515 1.00 44.33 C ATOM 333 OE1 GLU A 21 12.853 9.380 7.073 1.00 24.25 O ATOM 334 OE2 GLU A 21 14.024 11.049 6.285 1.00 31.14 O ATOM 0 H GLU A 21 11.328 12.850 3.577 1.00 71.01 H new ATOM 0 HA GLU A 21 12.863 10.393 3.746 1.00 52.15 H new ATOM 0 HB2 GLU A 21 10.036 11.139 4.648 1.00 42.44 H new ATOM 0 HB3 GLU A 21 10.779 9.584 4.962 1.00 42.44 H new ATOM 0 HG2 GLU A 21 11.818 12.267 5.978 1.00 51.05 H new ATOM 0 HG3 GLU A 21 10.899 11.114 6.924 1.00 51.05 H new ATOM 341 N CYS A 22 11.923 8.904 2.007 1.00 30.32 N ATOM 342 CA CYS A 22 11.396 7.922 1.044 1.00 21.51 C ATOM 343 C CYS A 22 10.517 6.887 1.784 1.00 54.51 C ATOM 344 O CYS A 22 11.011 6.128 2.621 1.00 2.22 O ATOM 345 CB CYS A 22 12.558 7.229 0.295 1.00 41.13 C ATOM 346 SG CYS A 22 13.739 6.372 1.361 1.00 2.43 S ATOM 0 H CYS A 22 12.841 8.658 2.378 1.00 30.32 H new ATOM 0 HA CYS A 22 10.780 8.435 0.306 1.00 21.51 H new ATOM 0 HB2 CYS A 22 12.140 6.512 -0.412 1.00 41.13 H new ATOM 0 HB3 CYS A 22 13.093 7.977 -0.289 1.00 41.13 H new ATOM 0 HG CYS A 22 13.119 5.895 2.400 1.00 2.43 H new ATOM 352 N VAL A 23 9.202 6.899 1.501 1.00 45.23 N ATOM 353 CA VAL A 23 8.201 6.036 2.180 1.00 75.11 C ATOM 354 C VAL A 23 7.664 4.938 1.233 1.00 33.45 C ATOM 355 O VAL A 23 7.229 5.240 0.125 1.00 43.13 O ATOM 356 CB VAL A 23 6.999 6.910 2.707 1.00 30.22 C ATOM 357 CG1 VAL A 23 5.897 6.048 3.373 1.00 22.42 C ATOM 358 CG2 VAL A 23 7.508 8.003 3.680 1.00 71.53 C ATOM 0 H VAL A 23 8.795 7.509 0.792 1.00 45.23 H new ATOM 0 HA VAL A 23 8.699 5.551 3.020 1.00 75.11 H new ATOM 0 HB VAL A 23 6.545 7.394 1.842 1.00 30.22 H new ATOM 0 HG11 VAL A 23 5.090 6.694 3.720 1.00 22.42 H new ATOM 0 HG12 VAL A 23 5.505 5.335 2.648 1.00 22.42 H new ATOM 0 HG13 VAL A 23 6.320 5.508 4.220 1.00 22.42 H new ATOM 0 HG21 VAL A 23 6.665 8.597 4.034 1.00 71.53 H new ATOM 0 HG22 VAL A 23 8.002 7.532 4.530 1.00 71.53 H new ATOM 0 HG23 VAL A 23 8.216 8.650 3.162 1.00 71.53 H new ATOM 368 N MET A 24 7.691 3.665 1.684 1.00 34.35 N ATOM 369 CA MET A 24 7.077 2.539 0.943 1.00 3.42 C ATOM 370 C MET A 24 5.927 1.901 1.758 1.00 12.10 C ATOM 371 O MET A 24 6.160 1.125 2.691 1.00 23.33 O ATOM 372 CB MET A 24 8.134 1.472 0.542 1.00 42.53 C ATOM 373 CG MET A 24 9.265 2.002 -0.367 1.00 61.21 C ATOM 374 SD MET A 24 10.790 2.378 0.524 1.00 23.23 S ATOM 375 CE MET A 24 11.330 0.729 0.985 1.00 63.52 C ATOM 0 H MET A 24 8.133 3.390 2.561 1.00 34.35 H new ATOM 0 HA MET A 24 6.657 2.944 0.023 1.00 3.42 H new ATOM 0 HB2 MET A 24 8.577 1.059 1.448 1.00 42.53 H new ATOM 0 HB3 MET A 24 7.629 0.652 0.032 1.00 42.53 H new ATOM 0 HG2 MET A 24 9.477 1.262 -1.138 1.00 61.21 H new ATOM 0 HG3 MET A 24 8.920 2.902 -0.876 1.00 61.21 H new ATOM 0 HE1 MET A 24 12.399 0.743 1.199 1.00 63.52 H new ATOM 0 HE2 MET A 24 10.787 0.403 1.872 1.00 63.52 H new ATOM 0 HE3 MET A 24 11.133 0.039 0.165 1.00 63.52 H new ATOM 385 N LEU A 25 4.688 2.278 1.404 1.00 53.42 N ATOM 386 CA LEU A 25 3.456 1.670 1.945 1.00 72.54 C ATOM 387 C LEU A 25 3.200 0.330 1.230 1.00 22.13 C ATOM 388 O LEU A 25 2.931 0.326 0.040 1.00 14.22 O ATOM 389 CB LEU A 25 2.254 2.625 1.713 1.00 51.50 C ATOM 390 CG LEU A 25 2.420 4.078 2.248 1.00 70.02 C ATOM 391 CD1 LEU A 25 1.209 4.951 1.877 1.00 33.21 C ATOM 392 CD2 LEU A 25 2.663 4.091 3.768 1.00 64.43 C ATOM 0 H LEU A 25 4.509 3.020 0.728 1.00 53.42 H new ATOM 0 HA LEU A 25 3.572 1.499 3.015 1.00 72.54 H new ATOM 0 HB2 LEU A 25 2.057 2.674 0.642 1.00 51.50 H new ATOM 0 HB3 LEU A 25 1.372 2.186 2.180 1.00 51.50 H new ATOM 0 HG LEU A 25 3.300 4.505 1.767 1.00 70.02 H new ATOM 0 HD11 LEU A 25 1.355 5.959 2.265 1.00 33.21 H new ATOM 0 HD12 LEU A 25 1.107 4.990 0.792 1.00 33.21 H new ATOM 0 HD13 LEU A 25 0.305 4.523 2.311 1.00 33.21 H new ATOM 0 HD21 LEU A 25 2.775 5.120 4.110 1.00 64.43 H new ATOM 0 HD22 LEU A 25 1.816 3.630 4.276 1.00 64.43 H new ATOM 0 HD23 LEU A 25 3.571 3.532 3.996 1.00 64.43 H new ATOM 404 N ALA A 26 3.300 -0.797 1.940 1.00 12.24 N ATOM 405 CA ALA A 26 3.137 -2.143 1.336 1.00 41.30 C ATOM 406 C ALA A 26 1.734 -2.732 1.625 1.00 13.24 C ATOM 407 O ALA A 26 1.165 -2.499 2.688 1.00 13.24 O ATOM 408 CB ALA A 26 4.243 -3.073 1.849 1.00 13.54 C ATOM 0 H ALA A 26 3.494 -0.814 2.941 1.00 12.24 H new ATOM 0 HA ALA A 26 3.224 -2.050 0.254 1.00 41.30 H new ATOM 0 HB1 ALA A 26 4.122 -4.061 1.405 1.00 13.54 H new ATOM 0 HB2 ALA A 26 5.216 -2.667 1.573 1.00 13.54 H new ATOM 0 HB3 ALA A 26 4.177 -3.152 2.934 1.00 13.54 H new ATOM 414 N CYS A 27 1.195 -3.489 0.657 1.00 52.21 N ATOM 415 CA CYS A 27 -0.114 -4.176 0.773 1.00 41.00 C ATOM 416 C CYS A 27 -0.131 -5.460 -0.082 1.00 50.00 C ATOM 417 O CYS A 27 0.358 -5.471 -1.210 1.00 32.33 O ATOM 418 CB CYS A 27 -1.279 -3.252 0.353 1.00 10.55 C ATOM 419 SG CYS A 27 -2.921 -3.989 0.560 1.00 43.31 S ATOM 0 H CYS A 27 1.655 -3.647 -0.240 1.00 52.21 H new ATOM 0 HA CYS A 27 -0.250 -4.441 1.821 1.00 41.00 H new ATOM 0 HB2 CYS A 27 -1.229 -2.334 0.938 1.00 10.55 H new ATOM 0 HB3 CYS A 27 -1.148 -2.972 -0.692 1.00 10.55 H new ATOM 0 HG CYS A 27 -2.941 -5.166 0.009 1.00 43.31 H new ATOM 425 N GLU A 28 -0.717 -6.533 0.462 1.00 74.33 N ATOM 426 CA GLU A 28 -0.731 -7.872 -0.172 1.00 74.04 C ATOM 427 C GLU A 28 -2.075 -8.575 0.088 1.00 10.41 C ATOM 428 O GLU A 28 -2.626 -8.504 1.196 1.00 70.12 O ATOM 429 CB GLU A 28 0.427 -8.745 0.376 1.00 4.41 C ATOM 430 CG GLU A 28 0.572 -10.131 -0.301 1.00 32.43 C ATOM 431 CD GLU A 28 1.510 -11.085 0.457 1.00 43.22 C ATOM 432 OE1 GLU A 28 2.659 -10.689 0.741 1.00 22.31 O ATOM 433 OE2 GLU A 28 1.119 -12.237 0.754 1.00 61.14 O ATOM 0 H GLU A 28 -1.200 -6.505 1.360 1.00 74.33 H new ATOM 0 HA GLU A 28 -0.599 -7.741 -1.246 1.00 74.04 H new ATOM 0 HB2 GLU A 28 1.363 -8.199 0.257 1.00 4.41 H new ATOM 0 HB3 GLU A 28 0.277 -8.893 1.446 1.00 4.41 H new ATOM 0 HG2 GLU A 28 -0.413 -10.591 -0.384 1.00 32.43 H new ATOM 0 HG3 GLU A 28 0.947 -9.994 -1.315 1.00 32.43 H new ATOM 440 N VAL A 29 -2.578 -9.288 -0.932 1.00 22.32 N ATOM 441 CA VAL A 29 -3.880 -9.984 -0.874 1.00 71.14 C ATOM 442 C VAL A 29 -3.743 -11.499 -1.136 1.00 2.43 C ATOM 443 O VAL A 29 -2.691 -11.993 -1.554 1.00 63.54 O ATOM 444 CB VAL A 29 -4.894 -9.355 -1.900 1.00 11.22 C ATOM 445 CG1 VAL A 29 -5.276 -7.919 -1.487 1.00 22.24 C ATOM 446 CG2 VAL A 29 -4.318 -9.378 -3.336 1.00 1.05 C ATOM 0 H VAL A 29 -2.095 -9.400 -1.823 1.00 22.32 H new ATOM 0 HA VAL A 29 -4.263 -9.854 0.138 1.00 71.14 H new ATOM 0 HB VAL A 29 -5.799 -9.963 -1.890 1.00 11.22 H new ATOM 0 HG11 VAL A 29 -5.978 -7.506 -2.212 1.00 22.24 H new ATOM 0 HG12 VAL A 29 -5.741 -7.935 -0.501 1.00 22.24 H new ATOM 0 HG13 VAL A 29 -4.380 -7.299 -1.456 1.00 22.24 H new ATOM 0 HG21 VAL A 29 -5.039 -8.937 -4.024 1.00 1.05 H new ATOM 0 HG22 VAL A 29 -3.391 -8.805 -3.366 1.00 1.05 H new ATOM 0 HG23 VAL A 29 -4.117 -10.408 -3.631 1.00 1.05 H new ATOM 456 N ASP A 30 -4.838 -12.208 -0.860 1.00 5.45 N ATOM 457 CA ASP A 30 -4.978 -13.655 -1.092 1.00 23.04 C ATOM 458 C ASP A 30 -5.008 -14.008 -2.612 1.00 44.31 C ATOM 459 O ASP A 30 -4.446 -15.018 -3.036 1.00 44.05 O ATOM 460 CB ASP A 30 -6.274 -14.106 -0.368 1.00 32.52 C ATOM 461 CG ASP A 30 -6.704 -15.541 -0.695 1.00 75.21 C ATOM 462 OD1 ASP A 30 -6.109 -16.487 -0.144 1.00 70.22 O ATOM 463 OD2 ASP A 30 -7.632 -15.730 -1.511 1.00 70.43 O ATOM 0 H ASP A 30 -5.676 -11.786 -0.459 1.00 5.45 H new ATOM 0 HA ASP A 30 -4.113 -14.186 -0.694 1.00 23.04 H new ATOM 0 HB2 ASP A 30 -6.126 -14.018 0.708 1.00 32.52 H new ATOM 0 HB3 ASP A 30 -7.083 -13.426 -0.635 1.00 32.52 H new ATOM 468 N ARG A 31 -5.659 -13.152 -3.413 1.00 73.42 N ATOM 469 CA ARG A 31 -5.895 -13.402 -4.861 1.00 40.21 C ATOM 470 C ARG A 31 -4.784 -12.768 -5.734 1.00 74.54 C ATOM 471 O ARG A 31 -4.583 -11.555 -5.710 1.00 15.21 O ATOM 472 CB ARG A 31 -7.306 -12.854 -5.263 1.00 40.31 C ATOM 473 CG ARG A 31 -8.391 -13.933 -5.506 1.00 1.41 C ATOM 474 CD ARG A 31 -8.267 -14.585 -6.897 1.00 71.31 C ATOM 475 NE ARG A 31 -8.458 -13.597 -7.983 1.00 20.23 N ATOM 476 CZ ARG A 31 -9.619 -13.244 -8.510 1.00 52.43 C ATOM 477 NH1 ARG A 31 -10.730 -13.791 -8.133 1.00 60.12 N ATOM 478 NH2 ARG A 31 -9.655 -12.345 -9.433 1.00 1.03 N ATOM 0 H ARG A 31 -6.040 -12.265 -3.085 1.00 73.42 H new ATOM 0 HA ARG A 31 -5.866 -14.477 -5.038 1.00 40.21 H new ATOM 0 HB2 ARG A 31 -7.654 -12.183 -4.478 1.00 40.31 H new ATOM 0 HB3 ARG A 31 -7.201 -12.257 -6.169 1.00 40.31 H new ATOM 0 HG2 ARG A 31 -8.313 -14.703 -4.738 1.00 1.41 H new ATOM 0 HG3 ARG A 31 -9.378 -13.482 -5.406 1.00 1.41 H new ATOM 0 HD2 ARG A 31 -7.286 -15.049 -6.995 1.00 71.31 H new ATOM 0 HD3 ARG A 31 -9.007 -15.380 -6.994 1.00 71.31 H new ATOM 0 HE ARG A 31 -7.621 -13.149 -8.358 1.00 20.23 H new ATOM 0 HH11 ARG A 31 -10.724 -14.513 -7.413 1.00 60.12 H new ATOM 0 HH12 ARG A 31 -11.611 -13.500 -8.556 1.00 60.12 H new ATOM 0 HH21 ARG A 31 -8.791 -11.909 -9.754 1.00 1.03 H new ATOM 0 HH22 ARG A 31 -10.548 -12.070 -9.842 1.00 1.03 H new ATOM 492 N GLU A 32 -4.099 -13.609 -6.529 1.00 40.40 N ATOM 493 CA GLU A 32 -3.012 -13.176 -7.437 1.00 74.33 C ATOM 494 C GLU A 32 -3.572 -12.373 -8.633 1.00 43.12 C ATOM 495 O GLU A 32 -2.977 -11.387 -9.065 1.00 44.52 O ATOM 496 CB GLU A 32 -2.208 -14.400 -7.965 1.00 32.21 C ATOM 497 CG GLU A 32 -1.524 -15.282 -6.888 1.00 71.22 C ATOM 498 CD GLU A 32 -2.484 -16.119 -6.014 1.00 4.50 C ATOM 499 OE1 GLU A 32 -3.458 -16.685 -6.562 1.00 14.43 O ATOM 500 OE2 GLU A 32 -2.270 -16.221 -4.788 1.00 70.41 O ATOM 0 H GLU A 32 -4.281 -14.612 -6.563 1.00 40.40 H new ATOM 0 HA GLU A 32 -2.345 -12.533 -6.862 1.00 74.33 H new ATOM 0 HB2 GLU A 32 -2.882 -15.029 -8.546 1.00 32.21 H new ATOM 0 HB3 GLU A 32 -1.441 -14.038 -8.650 1.00 32.21 H new ATOM 0 HG2 GLU A 32 -0.828 -15.958 -7.384 1.00 71.22 H new ATOM 0 HG3 GLU A 32 -0.933 -14.638 -6.236 1.00 71.22 H new ATOM 507 N ASP A 33 -4.730 -12.823 -9.148 1.00 60.22 N ATOM 508 CA ASP A 33 -5.412 -12.205 -10.315 1.00 33.05 C ATOM 509 C ASP A 33 -6.085 -10.848 -9.945 1.00 34.01 C ATOM 510 O ASP A 33 -6.414 -10.049 -10.829 1.00 52.23 O ATOM 511 CB ASP A 33 -6.449 -13.221 -10.873 1.00 11.04 C ATOM 512 CG ASP A 33 -7.219 -12.725 -12.115 1.00 11.03 C ATOM 513 OD1 ASP A 33 -6.662 -12.761 -13.233 1.00 52.23 O ATOM 514 OD2 ASP A 33 -8.375 -12.277 -11.978 1.00 2.05 O ATOM 0 H ASP A 33 -5.227 -13.629 -8.769 1.00 60.22 H new ATOM 0 HA ASP A 33 -4.673 -11.975 -11.082 1.00 33.05 H new ATOM 0 HB2 ASP A 33 -5.933 -14.147 -11.126 1.00 11.04 H new ATOM 0 HB3 ASP A 33 -7.166 -13.460 -10.087 1.00 11.04 H new ATOM 519 N ALA A 34 -6.265 -10.589 -8.638 1.00 52.23 N ATOM 520 CA ALA A 34 -6.949 -9.375 -8.139 1.00 44.55 C ATOM 521 C ALA A 34 -5.982 -8.463 -7.338 1.00 71.52 C ATOM 522 O ALA A 34 -5.725 -8.725 -6.160 1.00 43.41 O ATOM 523 CB ALA A 34 -8.155 -9.779 -7.278 1.00 5.40 C ATOM 0 H ALA A 34 -5.943 -11.211 -7.897 1.00 52.23 H new ATOM 0 HA ALA A 34 -7.297 -8.800 -8.997 1.00 44.55 H new ATOM 0 HB1 ALA A 34 -8.657 -8.883 -6.912 1.00 5.40 H new ATOM 0 HB2 ALA A 34 -8.851 -10.365 -7.878 1.00 5.40 H new ATOM 0 HB3 ALA A 34 -7.814 -10.376 -6.432 1.00 5.40 H new ATOM 529 N PRO A 35 -5.404 -7.390 -7.975 1.00 41.13 N ATOM 530 CA PRO A 35 -4.584 -6.374 -7.252 1.00 13.54 C ATOM 531 C PRO A 35 -5.433 -5.386 -6.403 1.00 11.54 C ATOM 532 O PRO A 35 -6.670 -5.382 -6.464 1.00 72.53 O ATOM 533 CB PRO A 35 -3.863 -5.642 -8.408 1.00 12.24 C ATOM 534 CG PRO A 35 -4.814 -5.737 -9.563 1.00 54.52 C ATOM 535 CD PRO A 35 -5.451 -7.109 -9.442 1.00 14.42 C ATOM 0 HA PRO A 35 -3.914 -6.829 -6.522 1.00 13.54 H new ATOM 0 HB2 PRO A 35 -3.653 -4.604 -8.151 1.00 12.24 H new ATOM 0 HB3 PRO A 35 -2.907 -6.112 -8.641 1.00 12.24 H new ATOM 0 HG2 PRO A 35 -5.566 -4.949 -9.520 1.00 54.52 H new ATOM 0 HG3 PRO A 35 -4.291 -5.628 -10.513 1.00 54.52 H new ATOM 0 HD2 PRO A 35 -6.474 -7.111 -9.818 1.00 14.42 H new ATOM 0 HD3 PRO A 35 -4.901 -7.858 -10.012 1.00 14.42 H new ATOM 543 N VAL A 36 -4.744 -4.534 -5.618 1.00 23.51 N ATOM 544 CA VAL A 36 -5.404 -3.522 -4.757 1.00 64.31 C ATOM 545 C VAL A 36 -5.560 -2.172 -5.505 1.00 75.40 C ATOM 546 O VAL A 36 -4.832 -1.889 -6.468 1.00 10.41 O ATOM 547 CB VAL A 36 -4.613 -3.306 -3.402 1.00 74.11 C ATOM 548 CG1 VAL A 36 -4.249 -4.660 -2.747 1.00 35.33 C ATOM 549 CG2 VAL A 36 -3.347 -2.435 -3.587 1.00 43.10 C ATOM 0 H VAL A 36 -3.726 -4.524 -5.560 1.00 23.51 H new ATOM 0 HA VAL A 36 -6.396 -3.903 -4.514 1.00 64.31 H new ATOM 0 HB VAL A 36 -5.283 -2.763 -2.735 1.00 74.11 H new ATOM 0 HG11 VAL A 36 -3.707 -4.481 -1.819 1.00 35.33 H new ATOM 0 HG12 VAL A 36 -5.161 -5.217 -2.533 1.00 35.33 H new ATOM 0 HG13 VAL A 36 -3.623 -5.237 -3.428 1.00 35.33 H new ATOM 0 HG21 VAL A 36 -2.842 -2.318 -2.628 1.00 43.10 H new ATOM 0 HG22 VAL A 36 -2.673 -2.918 -4.295 1.00 43.10 H new ATOM 0 HG23 VAL A 36 -3.632 -1.455 -3.968 1.00 43.10 H new ATOM 559 N ARG A 37 -6.523 -1.355 -5.056 1.00 54.12 N ATOM 560 CA ARG A 37 -6.733 0.017 -5.567 1.00 53.12 C ATOM 561 C ARG A 37 -6.160 1.029 -4.548 1.00 42.32 C ATOM 562 O ARG A 37 -6.693 1.156 -3.442 1.00 23.03 O ATOM 563 CB ARG A 37 -8.244 0.324 -5.812 1.00 71.04 C ATOM 564 CG ARG A 37 -8.926 -0.432 -6.984 1.00 4.34 C ATOM 565 CD ARG A 37 -9.176 -1.927 -6.713 1.00 5.13 C ATOM 566 NE ARG A 37 -10.038 -2.529 -7.739 1.00 11.40 N ATOM 567 CZ ARG A 37 -10.566 -3.736 -7.691 1.00 65.13 C ATOM 568 NH1 ARG A 37 -10.345 -4.529 -6.687 1.00 22.55 N ATOM 569 NH2 ARG A 37 -11.318 -4.139 -8.662 1.00 71.35 N ATOM 0 H ARG A 37 -7.183 -1.623 -4.326 1.00 54.12 H new ATOM 0 HA ARG A 37 -6.219 0.103 -6.524 1.00 53.12 H new ATOM 0 HB2 ARG A 37 -8.790 0.097 -4.897 1.00 71.04 H new ATOM 0 HB3 ARG A 37 -8.350 1.394 -5.990 1.00 71.04 H new ATOM 0 HG2 ARG A 37 -9.878 0.049 -7.206 1.00 4.34 H new ATOM 0 HG3 ARG A 37 -8.305 -0.335 -7.874 1.00 4.34 H new ATOM 0 HD2 ARG A 37 -8.223 -2.456 -6.683 1.00 5.13 H new ATOM 0 HD3 ARG A 37 -9.638 -2.047 -5.733 1.00 5.13 H new ATOM 0 HE ARG A 37 -10.246 -1.963 -8.561 1.00 11.40 H new ATOM 0 HH11 ARG A 37 -9.753 -4.222 -5.915 1.00 22.55 H new ATOM 0 HH12 ARG A 37 -10.764 -5.459 -6.670 1.00 22.55 H new ATOM 0 HH21 ARG A 37 -11.498 -3.525 -9.456 1.00 71.35 H new ATOM 0 HH22 ARG A 37 -11.731 -5.071 -8.634 1.00 71.35 H new ATOM 583 N TRP A 38 -5.091 1.746 -4.930 1.00 24.31 N ATOM 584 CA TRP A 38 -4.433 2.740 -4.051 1.00 62.03 C ATOM 585 C TRP A 38 -5.135 4.116 -4.170 1.00 3.01 C ATOM 586 O TRP A 38 -5.130 4.737 -5.233 1.00 40.41 O ATOM 587 CB TRP A 38 -2.924 2.878 -4.417 1.00 10.01 C ATOM 588 CG TRP A 38 -2.056 1.721 -3.983 1.00 62.54 C ATOM 589 CD1 TRP A 38 -1.659 0.651 -4.732 1.00 24.14 C ATOM 590 CD2 TRP A 38 -1.471 1.539 -2.686 1.00 70.33 C ATOM 591 NE1 TRP A 38 -0.867 -0.181 -3.981 1.00 63.01 N ATOM 592 CE2 TRP A 38 -0.741 0.337 -2.722 1.00 33.44 C ATOM 593 CE3 TRP A 38 -1.499 2.277 -1.498 1.00 20.34 C ATOM 594 CZ2 TRP A 38 -0.046 -0.146 -1.617 1.00 22.41 C ATOM 595 CZ3 TRP A 38 -0.807 1.801 -0.402 1.00 71.13 C ATOM 596 CH2 TRP A 38 -0.092 0.597 -0.468 1.00 31.02 C ATOM 0 H TRP A 38 -4.657 1.658 -5.849 1.00 24.31 H new ATOM 0 HA TRP A 38 -4.513 2.392 -3.021 1.00 62.03 H new ATOM 0 HB2 TRP A 38 -2.836 2.994 -5.497 1.00 10.01 H new ATOM 0 HB3 TRP A 38 -2.538 3.792 -3.966 1.00 10.01 H new ATOM 0 HD1 TRP A 38 -1.929 0.484 -5.764 1.00 24.14 H new ATOM 0 HE1 TRP A 38 -0.441 -1.047 -4.310 1.00 63.01 H new ATOM 0 HE3 TRP A 38 -2.052 3.203 -1.439 1.00 20.34 H new ATOM 0 HZ2 TRP A 38 0.508 -1.072 -1.664 1.00 22.41 H new ATOM 0 HZ3 TRP A 38 -0.817 2.364 0.519 1.00 71.13 H new ATOM 0 HH2 TRP A 38 0.435 0.248 0.408 1.00 31.02 H new ATOM 607 N TYR A 39 -5.719 4.595 -3.055 1.00 53.11 N ATOM 608 CA TYR A 39 -6.452 5.890 -3.014 1.00 22.54 C ATOM 609 C TYR A 39 -5.771 6.935 -2.092 1.00 4.31 C ATOM 610 O TYR A 39 -5.406 6.635 -0.959 1.00 30.25 O ATOM 611 CB TYR A 39 -7.921 5.657 -2.563 1.00 54.10 C ATOM 612 CG TYR A 39 -8.763 4.897 -3.602 1.00 50.52 C ATOM 613 CD1 TYR A 39 -8.953 5.423 -4.887 1.00 3.22 C ATOM 614 CD2 TYR A 39 -9.363 3.668 -3.309 1.00 13.34 C ATOM 615 CE1 TYR A 39 -9.701 4.753 -5.830 1.00 63.54 C ATOM 616 CE2 TYR A 39 -10.114 3.001 -4.259 1.00 32.51 C ATOM 617 CZ TYR A 39 -10.280 3.549 -5.513 1.00 12.32 C ATOM 618 OH TYR A 39 -11.034 2.885 -6.458 1.00 11.03 O ATOM 0 H TYR A 39 -5.701 4.105 -2.160 1.00 53.11 H new ATOM 0 HA TYR A 39 -6.436 6.298 -4.025 1.00 22.54 H new ATOM 0 HB2 TYR A 39 -7.922 5.099 -1.626 1.00 54.10 H new ATOM 0 HB3 TYR A 39 -8.389 6.620 -2.361 1.00 54.10 H new ATOM 0 HD1 TYR A 39 -8.505 6.372 -5.143 1.00 3.22 H new ATOM 0 HD2 TYR A 39 -9.238 3.234 -2.328 1.00 13.34 H new ATOM 0 HE1 TYR A 39 -9.832 5.174 -6.816 1.00 63.54 H new ATOM 0 HE2 TYR A 39 -10.570 2.052 -4.019 1.00 32.51 H new ATOM 0 HH TYR A 39 -11.373 2.048 -6.077 1.00 11.03 H new ATOM 628 N LYS A 40 -5.604 8.161 -2.630 1.00 32.54 N ATOM 629 CA LYS A 40 -5.165 9.370 -1.882 1.00 43.54 C ATOM 630 C LYS A 40 -6.429 10.167 -1.407 1.00 54.04 C ATOM 631 O LYS A 40 -7.552 9.676 -1.578 1.00 30.12 O ATOM 632 CB LYS A 40 -4.227 10.181 -2.839 1.00 72.12 C ATOM 633 CG LYS A 40 -3.542 11.452 -2.272 1.00 70.12 C ATOM 634 CD LYS A 40 -2.430 12.019 -3.205 1.00 42.31 C ATOM 635 CE LYS A 40 -1.130 11.181 -3.157 1.00 33.13 C ATOM 636 NZ LYS A 40 -0.146 11.577 -4.189 1.00 30.14 N ATOM 0 H LYS A 40 -5.773 8.348 -3.618 1.00 32.54 H new ATOM 0 HA LYS A 40 -4.605 9.132 -0.978 1.00 43.54 H new ATOM 0 HB2 LYS A 40 -3.445 9.508 -3.192 1.00 72.12 H new ATOM 0 HB3 LYS A 40 -4.811 10.476 -3.711 1.00 72.12 H new ATOM 0 HG2 LYS A 40 -4.297 12.221 -2.108 1.00 70.12 H new ATOM 0 HG3 LYS A 40 -3.108 11.220 -1.300 1.00 70.12 H new ATOM 0 HD2 LYS A 40 -2.801 12.049 -4.230 1.00 42.31 H new ATOM 0 HD3 LYS A 40 -2.207 13.046 -2.916 1.00 42.31 H new ATOM 0 HE2 LYS A 40 -0.675 11.283 -2.172 1.00 33.13 H new ATOM 0 HE3 LYS A 40 -1.379 10.128 -3.286 1.00 33.13 H new ATOM 0 HZ1 LYS A 40 0.802 11.258 -3.905 1.00 30.14 H new ATOM 0 HZ2 LYS A 40 -0.401 11.139 -5.097 1.00 30.14 H new ATOM 0 HZ3 LYS A 40 -0.147 12.612 -4.291 1.00 30.14 H new ATOM 650 N ASP A 41 -6.233 11.353 -0.776 1.00 72.01 N ATOM 651 CA ASP A 41 -7.325 12.209 -0.244 1.00 43.04 C ATOM 652 C ASP A 41 -8.483 12.450 -1.276 1.00 33.15 C ATOM 653 O ASP A 41 -8.395 13.338 -2.140 1.00 54.11 O ATOM 654 CB ASP A 41 -6.728 13.554 0.255 1.00 22.54 C ATOM 655 CG ASP A 41 -7.737 14.441 1.008 1.00 70.43 C ATOM 656 OD1 ASP A 41 -7.960 14.210 2.218 1.00 72.11 O ATOM 657 OD2 ASP A 41 -8.305 15.375 0.401 1.00 1.41 O ATOM 0 H ASP A 41 -5.304 11.745 -0.621 1.00 72.01 H new ATOM 0 HA ASP A 41 -7.783 11.677 0.590 1.00 43.04 H new ATOM 0 HB2 ASP A 41 -5.883 13.345 0.911 1.00 22.54 H new ATOM 0 HB3 ASP A 41 -6.339 14.107 -0.600 1.00 22.54 H new ATOM 662 N GLY A 42 -9.535 11.604 -1.174 1.00 14.11 N ATOM 663 CA GLY A 42 -10.746 11.692 -2.020 1.00 61.45 C ATOM 664 C GLY A 42 -10.519 11.447 -3.521 1.00 73.15 C ATOM 665 O GLY A 42 -11.289 11.940 -4.352 1.00 42.10 O ATOM 0 H GLY A 42 -9.567 10.839 -0.500 1.00 14.11 H new ATOM 0 HA2 GLY A 42 -11.476 10.968 -1.657 1.00 61.45 H new ATOM 0 HA3 GLY A 42 -11.187 12.681 -1.893 1.00 61.45 H new ATOM 669 N GLN A 43 -9.471 10.669 -3.863 1.00 52.32 N ATOM 670 CA GLN A 43 -9.065 10.417 -5.276 1.00 74.11 C ATOM 671 C GLN A 43 -8.087 9.219 -5.375 1.00 61.11 C ATOM 672 O GLN A 43 -7.820 8.552 -4.379 1.00 32.42 O ATOM 673 CB GLN A 43 -8.406 11.711 -5.855 1.00 32.13 C ATOM 674 CG GLN A 43 -7.132 12.176 -5.111 1.00 33.33 C ATOM 675 CD GLN A 43 -6.649 13.561 -5.544 1.00 61.43 C ATOM 676 OE1 GLN A 43 -5.861 13.706 -6.477 1.00 61.34 O ATOM 677 NE2 GLN A 43 -7.117 14.594 -4.867 1.00 70.52 N ATOM 0 H GLN A 43 -8.881 10.197 -3.178 1.00 52.32 H new ATOM 0 HA GLN A 43 -9.951 10.163 -5.858 1.00 74.11 H new ATOM 0 HB2 GLN A 43 -8.156 11.538 -6.902 1.00 32.13 H new ATOM 0 HB3 GLN A 43 -9.139 12.517 -5.831 1.00 32.13 H new ATOM 0 HG2 GLN A 43 -7.329 12.187 -4.039 1.00 33.33 H new ATOM 0 HG3 GLN A 43 -6.336 11.452 -5.281 1.00 33.33 H new ATOM 0 HE21 GLN A 43 -7.770 14.446 -4.097 1.00 70.52 H new ATOM 0 HE22 GLN A 43 -6.826 15.540 -5.114 1.00 70.52 H new ATOM 686 N GLU A 44 -7.578 8.949 -6.593 1.00 54.31 N ATOM 687 CA GLU A 44 -6.469 7.978 -6.818 1.00 70.11 C ATOM 688 C GLU A 44 -5.136 8.572 -6.286 1.00 20.20 C ATOM 689 O GLU A 44 -5.049 9.782 -6.035 1.00 14.45 O ATOM 690 CB GLU A 44 -6.361 7.660 -8.343 1.00 51.01 C ATOM 691 CG GLU A 44 -5.518 6.414 -8.724 1.00 33.31 C ATOM 692 CD GLU A 44 -6.172 5.059 -8.366 1.00 61.24 C ATOM 693 OE1 GLU A 44 -7.415 4.934 -8.478 1.00 53.43 O ATOM 694 OE2 GLU A 44 -5.443 4.099 -8.034 1.00 62.43 O ATOM 0 H GLU A 44 -7.916 9.390 -7.448 1.00 54.31 H new ATOM 0 HA GLU A 44 -6.674 7.053 -6.279 1.00 70.11 H new ATOM 0 HB2 GLU A 44 -7.368 7.526 -8.737 1.00 51.01 H new ATOM 0 HB3 GLU A 44 -5.935 8.529 -8.845 1.00 51.01 H new ATOM 0 HG2 GLU A 44 -5.325 6.437 -9.796 1.00 33.31 H new ATOM 0 HG3 GLU A 44 -4.551 6.479 -8.224 1.00 33.31 H new ATOM 701 N VAL A 45 -4.102 7.736 -6.098 1.00 32.41 N ATOM 702 CA VAL A 45 -2.773 8.208 -5.616 1.00 30.03 C ATOM 703 C VAL A 45 -2.042 9.128 -6.643 1.00 54.11 C ATOM 704 O VAL A 45 -1.203 9.950 -6.245 1.00 21.31 O ATOM 705 CB VAL A 45 -1.894 6.981 -5.147 1.00 14.51 C ATOM 706 CG1 VAL A 45 -0.412 7.340 -4.907 1.00 13.01 C ATOM 707 CG2 VAL A 45 -2.499 6.380 -3.864 1.00 33.00 C ATOM 0 H VAL A 45 -4.150 6.732 -6.269 1.00 32.41 H new ATOM 0 HA VAL A 45 -2.941 8.846 -4.748 1.00 30.03 H new ATOM 0 HB VAL A 45 -1.907 6.254 -5.959 1.00 14.51 H new ATOM 0 HG11 VAL A 45 0.131 6.450 -4.587 1.00 13.01 H new ATOM 0 HG12 VAL A 45 0.025 7.719 -5.831 1.00 13.01 H new ATOM 0 HG13 VAL A 45 -0.344 8.104 -4.133 1.00 13.01 H new ATOM 0 HG21 VAL A 45 -1.894 5.533 -3.539 1.00 33.00 H new ATOM 0 HG22 VAL A 45 -2.515 7.137 -3.080 1.00 33.00 H new ATOM 0 HG23 VAL A 45 -3.516 6.044 -4.064 1.00 33.00 H new ATOM 717 N GLU A 46 -2.414 9.019 -7.939 1.00 62.14 N ATOM 718 CA GLU A 46 -1.935 9.917 -9.034 1.00 44.44 C ATOM 719 C GLU A 46 -0.398 9.831 -9.236 1.00 41.40 C ATOM 720 O GLU A 46 0.354 10.566 -8.582 1.00 52.21 O ATOM 721 CB GLU A 46 -2.347 11.406 -8.767 1.00 73.22 C ATOM 722 CG GLU A 46 -3.858 11.664 -8.561 1.00 73.34 C ATOM 723 CD GLU A 46 -4.695 11.513 -9.843 1.00 52.31 C ATOM 724 OE1 GLU A 46 -4.838 12.510 -10.588 1.00 4.33 O ATOM 725 OE2 GLU A 46 -5.216 10.412 -10.111 1.00 1.11 O ATOM 0 H GLU A 46 -3.061 8.301 -8.265 1.00 62.14 H new ATOM 0 HA GLU A 46 -2.416 9.570 -9.948 1.00 44.44 H new ATOM 0 HB2 GLU A 46 -1.815 11.757 -7.883 1.00 73.22 H new ATOM 0 HB3 GLU A 46 -2.006 12.013 -9.606 1.00 73.22 H new ATOM 0 HG2 GLU A 46 -4.236 10.972 -7.808 1.00 73.34 H new ATOM 0 HG3 GLU A 46 -3.994 12.671 -8.166 1.00 73.34 H new ATOM 732 N GLU A 47 0.065 8.942 -10.138 1.00 54.33 N ATOM 733 CA GLU A 47 1.512 8.747 -10.403 1.00 10.43 C ATOM 734 C GLU A 47 2.111 9.975 -11.141 1.00 74.41 C ATOM 735 O GLU A 47 2.190 10.006 -12.371 1.00 60.14 O ATOM 736 CB GLU A 47 1.784 7.428 -11.197 1.00 62.33 C ATOM 737 CG GLU A 47 1.290 6.123 -10.514 1.00 15.23 C ATOM 738 CD GLU A 47 -0.210 5.814 -10.738 1.00 44.45 C ATOM 739 OE1 GLU A 47 -1.068 6.294 -9.957 1.00 15.15 O ATOM 740 OE2 GLU A 47 -0.539 5.087 -11.701 1.00 54.41 O ATOM 0 H GLU A 47 -0.542 8.344 -10.699 1.00 54.33 H new ATOM 0 HA GLU A 47 2.010 8.653 -9.438 1.00 10.43 H new ATOM 0 HB2 GLU A 47 1.309 7.508 -12.175 1.00 62.33 H new ATOM 0 HB3 GLU A 47 2.857 7.343 -11.370 1.00 62.33 H new ATOM 0 HG2 GLU A 47 1.881 5.286 -10.886 1.00 15.23 H new ATOM 0 HG3 GLU A 47 1.478 6.194 -9.443 1.00 15.23 H new ATOM 747 N SER A 48 2.490 10.994 -10.358 1.00 71.00 N ATOM 748 CA SER A 48 2.967 12.298 -10.868 1.00 52.03 C ATOM 749 C SER A 48 4.436 12.545 -10.465 1.00 12.14 C ATOM 750 O SER A 48 4.696 12.944 -9.330 1.00 23.52 O ATOM 751 CB SER A 48 2.067 13.432 -10.310 1.00 0.22 C ATOM 752 OG SER A 48 0.701 13.239 -10.660 1.00 4.41 O ATOM 0 H SER A 48 2.476 10.941 -9.339 1.00 71.00 H new ATOM 0 HA SER A 48 2.911 12.287 -11.957 1.00 52.03 H new ATOM 0 HB2 SER A 48 2.163 13.472 -9.225 1.00 0.22 H new ATOM 0 HB3 SER A 48 2.410 14.392 -10.696 1.00 0.22 H new ATOM 0 HG SER A 48 0.162 13.970 -10.291 1.00 4.41 H new ATOM 758 N ASP A 49 5.375 12.256 -11.400 1.00 13.13 N ATOM 759 CA ASP A 49 6.843 12.499 -11.253 1.00 23.12 C ATOM 760 C ASP A 49 7.460 11.792 -10.008 1.00 40.12 C ATOM 761 O ASP A 49 8.114 10.750 -10.134 1.00 3.21 O ATOM 762 CB ASP A 49 7.167 14.028 -11.259 1.00 25.23 C ATOM 763 CG ASP A 49 6.737 14.721 -12.565 1.00 40.14 C ATOM 764 OD1 ASP A 49 7.544 14.778 -13.518 1.00 21.25 O ATOM 765 OD2 ASP A 49 5.579 15.178 -12.657 1.00 22.34 O ATOM 0 H ASP A 49 5.134 11.838 -12.299 1.00 13.13 H new ATOM 0 HA ASP A 49 7.317 12.046 -12.124 1.00 23.12 H new ATOM 0 HB2 ASP A 49 6.665 14.505 -10.417 1.00 25.23 H new ATOM 0 HB3 ASP A 49 8.238 14.169 -11.113 1.00 25.23 H new ATOM 770 N PHE A 50 7.237 12.382 -8.816 1.00 0.13 N ATOM 771 CA PHE A 50 7.712 11.838 -7.526 1.00 3.41 C ATOM 772 C PHE A 50 6.932 10.560 -7.164 1.00 4.54 C ATOM 773 O PHE A 50 7.512 9.562 -6.737 1.00 33.50 O ATOM 774 CB PHE A 50 7.549 12.901 -6.400 1.00 14.53 C ATOM 775 CG PHE A 50 8.149 14.263 -6.760 1.00 3.34 C ATOM 776 CD1 PHE A 50 9.528 14.467 -6.726 1.00 42.03 C ATOM 777 CD2 PHE A 50 7.334 15.333 -7.144 1.00 74.13 C ATOM 778 CE1 PHE A 50 10.072 15.692 -7.069 1.00 44.22 C ATOM 779 CE2 PHE A 50 7.881 16.556 -7.481 1.00 11.22 C ATOM 780 CZ PHE A 50 9.249 16.736 -7.441 1.00 13.33 C ATOM 0 H PHE A 50 6.719 13.255 -8.720 1.00 0.13 H new ATOM 0 HA PHE A 50 8.768 11.588 -7.623 1.00 3.41 H new ATOM 0 HB2 PHE A 50 6.489 13.026 -6.179 1.00 14.53 H new ATOM 0 HB3 PHE A 50 8.023 12.532 -5.490 1.00 14.53 H new ATOM 0 HD1 PHE A 50 10.179 13.659 -6.428 1.00 42.03 H new ATOM 0 HD2 PHE A 50 6.263 15.201 -7.177 1.00 74.13 H new ATOM 0 HE1 PHE A 50 11.143 15.832 -7.046 1.00 44.22 H new ATOM 0 HE2 PHE A 50 7.238 17.372 -7.776 1.00 11.22 H new ATOM 0 HZ PHE A 50 9.675 17.694 -7.701 1.00 13.33 H new ATOM 790 N VAL A 51 5.611 10.607 -7.367 1.00 74.32 N ATOM 791 CA VAL A 51 4.705 9.503 -7.001 1.00 3.00 C ATOM 792 C VAL A 51 4.849 8.312 -7.978 1.00 13.52 C ATOM 793 O VAL A 51 4.617 8.464 -9.183 1.00 23.12 O ATOM 794 CB VAL A 51 3.209 9.981 -6.990 1.00 40.43 C ATOM 795 CG1 VAL A 51 2.274 8.872 -6.465 1.00 0.43 C ATOM 796 CG2 VAL A 51 3.037 11.282 -6.181 1.00 10.33 C ATOM 0 H VAL A 51 5.137 11.406 -7.788 1.00 74.32 H new ATOM 0 HA VAL A 51 4.986 9.178 -5.999 1.00 3.00 H new ATOM 0 HB VAL A 51 2.927 10.196 -8.021 1.00 40.43 H new ATOM 0 HG11 VAL A 51 1.245 9.232 -6.469 1.00 0.43 H new ATOM 0 HG12 VAL A 51 2.354 7.995 -7.107 1.00 0.43 H new ATOM 0 HG13 VAL A 51 2.561 8.605 -5.448 1.00 0.43 H new ATOM 0 HG21 VAL A 51 1.990 11.583 -6.195 1.00 10.33 H new ATOM 0 HG22 VAL A 51 3.353 11.115 -5.151 1.00 10.33 H new ATOM 0 HG23 VAL A 51 3.647 12.069 -6.624 1.00 10.33 H new ATOM 806 N VAL A 52 5.248 7.136 -7.453 1.00 4.40 N ATOM 807 CA VAL A 52 5.361 5.883 -8.245 1.00 1.12 C ATOM 808 C VAL A 52 4.659 4.705 -7.509 1.00 24.51 C ATOM 809 O VAL A 52 4.684 4.620 -6.275 1.00 0.24 O ATOM 810 CB VAL A 52 6.873 5.518 -8.553 1.00 33.03 C ATOM 811 CG1 VAL A 52 7.572 6.622 -9.392 1.00 11.30 C ATOM 812 CG2 VAL A 52 7.682 5.237 -7.264 1.00 23.24 C ATOM 0 H VAL A 52 5.501 7.023 -6.472 1.00 4.40 H new ATOM 0 HA VAL A 52 4.860 6.052 -9.198 1.00 1.12 H new ATOM 0 HB VAL A 52 6.850 4.601 -9.141 1.00 33.03 H new ATOM 0 HG11 VAL A 52 8.606 6.335 -9.582 1.00 11.30 H new ATOM 0 HG12 VAL A 52 7.049 6.744 -10.341 1.00 11.30 H new ATOM 0 HG13 VAL A 52 7.552 7.564 -8.843 1.00 11.30 H new ATOM 0 HG21 VAL A 52 8.711 4.992 -7.527 1.00 23.24 H new ATOM 0 HG22 VAL A 52 7.671 6.122 -6.627 1.00 23.24 H new ATOM 0 HG23 VAL A 52 7.235 4.399 -6.729 1.00 23.24 H new ATOM 822 N LEU A 53 4.004 3.817 -8.280 1.00 73.25 N ATOM 823 CA LEU A 53 3.331 2.608 -7.744 1.00 1.22 C ATOM 824 C LEU A 53 4.000 1.324 -8.297 1.00 72.45 C ATOM 825 O LEU A 53 4.067 1.121 -9.515 1.00 63.12 O ATOM 826 CB LEU A 53 1.810 2.625 -8.084 1.00 70.44 C ATOM 827 CG LEU A 53 0.966 3.770 -7.419 1.00 35.25 C ATOM 828 CD1 LEU A 53 -0.523 3.689 -7.819 1.00 34.31 C ATOM 829 CD2 LEU A 53 1.117 3.759 -5.885 1.00 1.13 C ATOM 0 H LEU A 53 3.924 3.913 -9.292 1.00 73.25 H new ATOM 0 HA LEU A 53 3.436 2.611 -6.659 1.00 1.22 H new ATOM 0 HB2 LEU A 53 1.701 2.703 -9.166 1.00 70.44 H new ATOM 0 HB3 LEU A 53 1.382 1.667 -7.788 1.00 70.44 H new ATOM 0 HG LEU A 53 1.360 4.715 -7.793 1.00 35.25 H new ATOM 0 HD11 LEU A 53 -1.073 4.498 -7.339 1.00 34.31 H new ATOM 0 HD12 LEU A 53 -0.614 3.780 -8.901 1.00 34.31 H new ATOM 0 HD13 LEU A 53 -0.934 2.731 -7.500 1.00 34.31 H new ATOM 0 HD21 LEU A 53 0.521 4.564 -5.455 1.00 1.13 H new ATOM 0 HD22 LEU A 53 0.773 2.802 -5.492 1.00 1.13 H new ATOM 0 HD23 LEU A 53 2.165 3.903 -5.621 1.00 1.13 H new ATOM 841 N GLU A 54 4.487 0.467 -7.383 1.00 65.31 N ATOM 842 CA GLU A 54 5.163 -0.805 -7.724 1.00 43.34 C ATOM 843 C GLU A 54 4.188 -2.004 -7.628 1.00 32.12 C ATOM 844 O GLU A 54 3.280 -2.024 -6.783 1.00 61.12 O ATOM 845 CB GLU A 54 6.377 -1.023 -6.781 1.00 20.43 C ATOM 846 CG GLU A 54 7.445 0.091 -6.831 1.00 4.11 C ATOM 847 CD GLU A 54 8.069 0.287 -8.228 1.00 13.03 C ATOM 848 OE1 GLU A 54 8.889 -0.564 -8.644 1.00 71.22 O ATOM 849 OE2 GLU A 54 7.750 1.289 -8.911 1.00 20.22 O ATOM 0 H GLU A 54 4.424 0.635 -6.379 1.00 65.31 H new ATOM 0 HA GLU A 54 5.512 -0.741 -8.755 1.00 43.34 H new ATOM 0 HB2 GLU A 54 6.013 -1.112 -5.758 1.00 20.43 H new ATOM 0 HB3 GLU A 54 6.850 -1.972 -7.034 1.00 20.43 H new ATOM 0 HG2 GLU A 54 6.994 1.030 -6.509 1.00 4.11 H new ATOM 0 HG3 GLU A 54 8.236 -0.144 -6.119 1.00 4.11 H new ATOM 856 N ASN A 55 4.412 -3.015 -8.489 1.00 4.15 N ATOM 857 CA ASN A 55 3.512 -4.182 -8.638 1.00 73.23 C ATOM 858 C ASN A 55 4.300 -5.517 -8.698 1.00 33.34 C ATOM 859 O ASN A 55 5.429 -5.556 -9.204 1.00 23.41 O ATOM 860 CB ASN A 55 2.625 -4.012 -9.908 1.00 43.35 C ATOM 861 CG ASN A 55 3.376 -4.053 -11.260 1.00 64.23 C ATOM 862 OD1 ASN A 55 4.542 -3.442 -11.365 1.00 11.40 O flip ATOM 863 ND2 ASN A 55 2.876 -4.603 -12.236 1.00 43.40 N flip ATOM 0 H ASN A 55 5.225 -3.048 -9.105 1.00 4.15 H new ATOM 0 HA ASN A 55 2.872 -4.225 -7.756 1.00 73.23 H new ATOM 0 HB2 ASN A 55 1.869 -4.798 -9.909 1.00 43.35 H new ATOM 0 HB3 ASN A 55 2.097 -3.061 -9.835 1.00 43.35 H new ATOM 0 HD21 ASN A 55 1.975 -5.074 -12.150 1.00 43.40 H new ATOM 0 HD22 ASN A 55 3.361 -4.590 -13.133 1.00 43.40 H new ATOM 870 N GLU A 56 3.675 -6.605 -8.197 1.00 10.54 N ATOM 871 CA GLU A 56 4.271 -7.964 -8.186 1.00 35.04 C ATOM 872 C GLU A 56 3.186 -9.031 -7.853 1.00 75.52 C ATOM 873 O GLU A 56 3.122 -9.539 -6.739 1.00 14.11 O ATOM 874 CB GLU A 56 5.477 -8.024 -7.182 1.00 52.44 C ATOM 875 CG GLU A 56 6.259 -9.359 -7.148 1.00 1.13 C ATOM 876 CD GLU A 56 6.880 -9.747 -8.503 1.00 2.10 C ATOM 877 OE1 GLU A 56 7.920 -9.164 -8.876 1.00 63.33 O ATOM 878 OE2 GLU A 56 6.337 -10.640 -9.194 1.00 74.14 O ATOM 0 H GLU A 56 2.741 -6.568 -7.788 1.00 10.54 H new ATOM 0 HA GLU A 56 4.659 -8.190 -9.179 1.00 35.04 H new ATOM 0 HB2 GLU A 56 6.173 -7.223 -7.431 1.00 52.44 H new ATOM 0 HB3 GLU A 56 5.101 -7.819 -6.180 1.00 52.44 H new ATOM 0 HG2 GLU A 56 7.051 -9.287 -6.403 1.00 1.13 H new ATOM 0 HG3 GLU A 56 5.588 -10.155 -6.825 1.00 1.13 H new ATOM 885 N GLY A 57 2.316 -9.340 -8.834 1.00 5.42 N ATOM 886 CA GLY A 57 1.183 -10.279 -8.641 1.00 22.04 C ATOM 887 C GLY A 57 0.160 -9.828 -7.569 1.00 71.12 C ATOM 888 O GLY A 57 -0.518 -8.813 -7.762 1.00 70.21 O ATOM 0 H GLY A 57 2.373 -8.952 -9.776 1.00 5.42 H new ATOM 0 HA2 GLY A 57 0.665 -10.405 -9.591 1.00 22.04 H new ATOM 0 HA3 GLY A 57 1.579 -11.255 -8.361 1.00 22.04 H new ATOM 892 N PRO A 58 0.019 -10.568 -6.419 1.00 24.14 N ATOM 893 CA PRO A 58 -0.814 -10.114 -5.263 1.00 23.34 C ATOM 894 C PRO A 58 -0.093 -9.064 -4.369 1.00 4.24 C ATOM 895 O PRO A 58 -0.719 -8.434 -3.512 1.00 50.31 O ATOM 896 CB PRO A 58 -1.062 -11.433 -4.495 1.00 74.54 C ATOM 897 CG PRO A 58 0.179 -12.240 -4.744 1.00 32.43 C ATOM 898 CD PRO A 58 0.607 -11.918 -6.166 1.00 11.51 C ATOM 0 HA PRO A 58 -1.724 -9.604 -5.579 1.00 23.34 H new ATOM 0 HB2 PRO A 58 -1.213 -11.252 -3.431 1.00 74.54 H new ATOM 0 HB3 PRO A 58 -1.951 -11.946 -4.861 1.00 74.54 H new ATOM 0 HG2 PRO A 58 0.963 -11.981 -4.032 1.00 32.43 H new ATOM 0 HG3 PRO A 58 -0.018 -13.306 -4.627 1.00 32.43 H new ATOM 0 HD2 PRO A 58 1.693 -11.906 -6.264 1.00 11.51 H new ATOM 0 HD3 PRO A 58 0.231 -12.657 -6.874 1.00 11.51 H new ATOM 906 N HIS A 59 1.232 -8.903 -4.576 1.00 44.20 N ATOM 907 CA HIS A 59 2.071 -7.932 -3.837 1.00 44.42 C ATOM 908 C HIS A 59 2.007 -6.547 -4.536 1.00 54.53 C ATOM 909 O HIS A 59 2.204 -6.438 -5.748 1.00 60.03 O ATOM 910 CB HIS A 59 3.548 -8.419 -3.760 1.00 1.03 C ATOM 911 CG HIS A 59 3.730 -9.872 -3.370 1.00 63.32 C ATOM 912 ND1 HIS A 59 3.786 -10.309 -2.065 1.00 60.43 N ATOM 913 CD2 HIS A 59 3.889 -10.990 -4.133 1.00 22.42 C ATOM 914 CE1 HIS A 59 3.978 -11.613 -2.045 1.00 34.31 C ATOM 915 NE2 HIS A 59 4.039 -12.045 -3.283 1.00 15.34 N ATOM 0 H HIS A 59 1.753 -9.446 -5.264 1.00 44.20 H new ATOM 0 HA HIS A 59 1.686 -7.846 -2.821 1.00 44.42 H new ATOM 0 HB2 HIS A 59 4.017 -8.259 -4.731 1.00 1.03 H new ATOM 0 HB3 HIS A 59 4.082 -7.797 -3.041 1.00 1.03 H new ATOM 0 HD2 HIS A 59 3.895 -11.032 -5.212 1.00 22.42 H new ATOM 0 HE1 HIS A 59 4.070 -12.223 -1.159 1.00 34.31 H new ATOM 0 HE2 HIS A 59 4.177 -13.016 -3.564 1.00 15.34 H new ATOM 924 N ARG A 60 1.713 -5.510 -3.754 1.00 44.20 N ATOM 925 CA ARG A 60 1.617 -4.103 -4.213 1.00 31.43 C ATOM 926 C ARG A 60 2.306 -3.190 -3.189 1.00 35.44 C ATOM 927 O ARG A 60 2.344 -3.517 -2.006 1.00 21.42 O ATOM 928 CB ARG A 60 0.120 -3.693 -4.374 1.00 63.33 C ATOM 929 CG ARG A 60 -0.585 -4.259 -5.631 1.00 14.03 C ATOM 930 CD ARG A 60 -0.101 -3.580 -6.933 1.00 30.45 C ATOM 931 NE ARG A 60 -0.686 -4.209 -8.132 1.00 64.31 N ATOM 932 CZ ARG A 60 -1.043 -3.585 -9.239 1.00 63.32 C ATOM 933 NH1 ARG A 60 -1.042 -2.301 -9.316 1.00 74.14 N ATOM 934 NH2 ARG A 60 -1.431 -4.267 -10.256 1.00 63.24 N ATOM 0 H ARG A 60 1.528 -5.615 -2.756 1.00 44.20 H new ATOM 0 HA ARG A 60 2.110 -4.002 -5.180 1.00 31.43 H new ATOM 0 HB2 ARG A 60 -0.427 -4.022 -3.491 1.00 63.33 H new ATOM 0 HB3 ARG A 60 0.058 -2.605 -4.401 1.00 63.33 H new ATOM 0 HG2 ARG A 60 -0.403 -5.332 -5.694 1.00 14.03 H new ATOM 0 HG3 ARG A 60 -1.662 -4.124 -5.532 1.00 14.03 H new ATOM 0 HD2 ARG A 60 -0.366 -2.523 -6.911 1.00 30.45 H new ATOM 0 HD3 ARG A 60 0.986 -3.635 -6.988 1.00 30.45 H new ATOM 0 HE ARG A 60 -0.828 -5.219 -8.103 1.00 64.31 H new ATOM 0 HH11 ARG A 60 -0.761 -1.742 -8.510 1.00 74.14 H new ATOM 0 HH12 ARG A 60 -1.322 -1.842 -10.183 1.00 74.14 H new ATOM 0 HH21 ARG A 60 -1.462 -5.285 -10.205 1.00 63.24 H new ATOM 0 HH22 ARG A 60 -1.708 -3.790 -11.114 1.00 63.24 H new ATOM 948 N ARG A 61 2.863 -2.055 -3.645 1.00 31.11 N ATOM 949 CA ARG A 61 3.452 -1.047 -2.732 1.00 0.43 C ATOM 950 C ARG A 61 3.544 0.361 -3.360 1.00 63.13 C ATOM 951 O ARG A 61 4.034 0.541 -4.475 1.00 24.11 O ATOM 952 CB ARG A 61 4.837 -1.503 -2.172 1.00 44.15 C ATOM 953 CG ARG A 61 5.813 -2.099 -3.206 1.00 34.34 C ATOM 954 CD ARG A 61 7.178 -2.442 -2.573 1.00 43.42 C ATOM 955 NE ARG A 61 7.046 -3.388 -1.446 1.00 20.12 N ATOM 956 CZ ARG A 61 7.866 -3.479 -0.421 1.00 75.23 C ATOM 957 NH1 ARG A 61 8.911 -2.719 -0.306 1.00 54.13 N ATOM 958 NH2 ARG A 61 7.632 -4.351 0.496 1.00 64.11 N ATOM 0 H ARG A 61 2.920 -1.809 -4.633 1.00 31.11 H new ATOM 0 HA ARG A 61 2.759 -0.971 -1.894 1.00 0.43 H new ATOM 0 HB2 ARG A 61 5.317 -0.646 -1.699 1.00 44.15 H new ATOM 0 HB3 ARG A 61 4.666 -2.244 -1.391 1.00 44.15 H new ATOM 0 HG2 ARG A 61 5.377 -2.999 -3.641 1.00 34.34 H new ATOM 0 HG3 ARG A 61 5.958 -1.389 -4.021 1.00 34.34 H new ATOM 0 HD2 ARG A 61 7.831 -2.872 -3.332 1.00 43.42 H new ATOM 0 HD3 ARG A 61 7.655 -1.527 -2.223 1.00 43.42 H new ATOM 0 HE ARG A 61 6.250 -4.026 -1.464 1.00 20.12 H new ATOM 0 HH11 ARG A 61 9.118 -2.024 -1.024 1.00 54.13 H new ATOM 0 HH12 ARG A 61 9.526 -2.816 0.502 1.00 54.13 H new ATOM 0 HH21 ARG A 61 6.818 -4.962 0.423 1.00 64.11 H new ATOM 0 HH22 ARG A 61 8.260 -4.431 1.296 1.00 64.11 H new ATOM 972 N LEU A 62 3.037 1.345 -2.603 1.00 61.41 N ATOM 973 CA LEU A 62 3.156 2.783 -2.899 1.00 63.34 C ATOM 974 C LEU A 62 4.557 3.271 -2.470 1.00 3.31 C ATOM 975 O LEU A 62 4.899 3.199 -1.292 1.00 53.34 O ATOM 976 CB LEU A 62 2.023 3.527 -2.114 1.00 44.42 C ATOM 977 CG LEU A 62 1.686 5.018 -2.488 1.00 70.54 C ATOM 978 CD1 LEU A 62 0.375 5.458 -1.812 1.00 3.43 C ATOM 979 CD2 LEU A 62 2.811 6.012 -2.125 1.00 41.53 C ATOM 0 H LEU A 62 2.519 1.159 -1.744 1.00 61.41 H new ATOM 0 HA LEU A 62 3.044 2.984 -3.964 1.00 63.34 H new ATOM 0 HB2 LEU A 62 1.108 2.945 -2.227 1.00 44.42 H new ATOM 0 HB3 LEU A 62 2.287 3.505 -1.057 1.00 44.42 H new ATOM 0 HG LEU A 62 1.578 5.039 -3.572 1.00 70.54 H new ATOM 0 HD11 LEU A 62 0.156 6.491 -2.081 1.00 3.43 H new ATOM 0 HD12 LEU A 62 -0.440 4.816 -2.146 1.00 3.43 H new ATOM 0 HD13 LEU A 62 0.479 5.379 -0.730 1.00 3.43 H new ATOM 0 HD21 LEU A 62 2.512 7.020 -2.410 1.00 41.53 H new ATOM 0 HD22 LEU A 62 2.994 5.978 -1.051 1.00 41.53 H new ATOM 0 HD23 LEU A 62 3.723 5.740 -2.657 1.00 41.53 H new ATOM 991 N VAL A 63 5.357 3.765 -3.423 1.00 72.05 N ATOM 992 CA VAL A 63 6.693 4.334 -3.133 1.00 42.41 C ATOM 993 C VAL A 63 6.694 5.869 -3.380 1.00 31.13 C ATOM 994 O VAL A 63 6.220 6.346 -4.423 1.00 23.40 O ATOM 995 CB VAL A 63 7.809 3.630 -3.997 1.00 11.31 C ATOM 996 CG1 VAL A 63 9.215 4.219 -3.713 1.00 21.35 C ATOM 997 CG2 VAL A 63 7.798 2.089 -3.784 1.00 1.35 C ATOM 0 H VAL A 63 5.106 3.785 -4.411 1.00 72.05 H new ATOM 0 HA VAL A 63 6.919 4.152 -2.082 1.00 42.41 H new ATOM 0 HB VAL A 63 7.577 3.828 -5.044 1.00 11.31 H new ATOM 0 HG11 VAL A 63 9.955 3.707 -4.328 1.00 21.35 H new ATOM 0 HG12 VAL A 63 9.219 5.283 -3.951 1.00 21.35 H new ATOM 0 HG13 VAL A 63 9.461 4.082 -2.660 1.00 21.35 H new ATOM 0 HG21 VAL A 63 8.578 1.632 -4.393 1.00 1.35 H new ATOM 0 HG22 VAL A 63 7.980 1.866 -2.733 1.00 1.35 H new ATOM 0 HG23 VAL A 63 6.828 1.688 -4.077 1.00 1.35 H new ATOM 1007 N LEU A 64 7.226 6.634 -2.410 1.00 43.32 N ATOM 1008 CA LEU A 64 7.302 8.110 -2.480 1.00 2.10 C ATOM 1009 C LEU A 64 8.724 8.579 -2.052 1.00 24.41 C ATOM 1010 O LEU A 64 8.978 8.719 -0.854 1.00 71.04 O ATOM 1011 CB LEU A 64 6.188 8.765 -1.577 1.00 53.11 C ATOM 1012 CG LEU A 64 5.310 9.870 -2.254 1.00 0.20 C ATOM 1013 CD1 LEU A 64 6.167 10.980 -2.901 1.00 0.42 C ATOM 1014 CD2 LEU A 64 4.332 9.247 -3.267 1.00 71.50 C ATOM 0 H LEU A 64 7.618 6.247 -1.551 1.00 43.32 H new ATOM 0 HA LEU A 64 7.124 8.432 -3.506 1.00 2.10 H new ATOM 0 HB2 LEU A 64 5.528 7.974 -1.220 1.00 53.11 H new ATOM 0 HB3 LEU A 64 6.669 9.199 -0.700 1.00 53.11 H new ATOM 0 HG LEU A 64 4.724 10.348 -1.469 1.00 0.20 H new ATOM 0 HD11 LEU A 64 5.514 11.724 -3.358 1.00 0.42 H new ATOM 0 HD12 LEU A 64 6.782 11.457 -2.137 1.00 0.42 H new ATOM 0 HD13 LEU A 64 6.811 10.544 -3.665 1.00 0.42 H new ATOM 0 HD21 LEU A 64 3.732 10.034 -3.725 1.00 71.50 H new ATOM 0 HD22 LEU A 64 4.894 8.723 -4.040 1.00 71.50 H new ATOM 0 HD23 LEU A 64 3.676 8.543 -2.754 1.00 71.50 H new ATOM 1026 N PRO A 65 9.673 8.813 -3.028 1.00 72.31 N ATOM 1027 CA PRO A 65 11.073 9.252 -2.727 1.00 54.01 C ATOM 1028 C PRO A 65 11.153 10.595 -1.944 1.00 60.13 C ATOM 1029 O PRO A 65 12.013 10.764 -1.071 1.00 74.20 O ATOM 1030 CB PRO A 65 11.725 9.366 -4.139 1.00 73.21 C ATOM 1031 CG PRO A 65 10.569 9.497 -5.085 1.00 53.52 C ATOM 1032 CD PRO A 65 9.470 8.642 -4.493 1.00 31.52 C ATOM 0 HA PRO A 65 11.582 8.549 -2.067 1.00 54.01 H new ATOM 0 HB2 PRO A 65 12.387 10.230 -4.201 1.00 73.21 H new ATOM 0 HB3 PRO A 65 12.327 8.487 -4.369 1.00 73.21 H new ATOM 0 HG2 PRO A 65 10.252 10.536 -5.178 1.00 53.52 H new ATOM 0 HG3 PRO A 65 10.838 9.155 -6.085 1.00 53.52 H new ATOM 0 HD2 PRO A 65 8.482 8.979 -4.807 1.00 31.52 H new ATOM 0 HD3 PRO A 65 9.562 7.599 -4.795 1.00 31.52 H new ATOM 1040 N ALA A 66 10.253 11.542 -2.273 1.00 13.15 N ATOM 1041 CA ALA A 66 10.144 12.843 -1.570 1.00 43.32 C ATOM 1042 C ALA A 66 8.691 13.073 -1.093 1.00 43.13 C ATOM 1043 O ALA A 66 7.868 13.642 -1.828 1.00 1.42 O ATOM 1044 CB ALA A 66 10.620 13.983 -2.494 1.00 22.53 C ATOM 0 H ALA A 66 9.580 11.431 -3.032 1.00 13.15 H new ATOM 0 HA ALA A 66 10.786 12.831 -0.689 1.00 43.32 H new ATOM 0 HB1 ALA A 66 10.537 14.935 -1.970 1.00 22.53 H new ATOM 0 HB2 ALA A 66 11.659 13.813 -2.775 1.00 22.53 H new ATOM 0 HB3 ALA A 66 10.001 14.007 -3.391 1.00 22.53 H new ATOM 1050 N THR A 67 8.371 12.595 0.130 1.00 12.43 N ATOM 1051 CA THR A 67 6.983 12.607 0.660 1.00 14.03 C ATOM 1052 C THR A 67 6.613 13.998 1.249 1.00 51.23 C ATOM 1053 O THR A 67 6.922 14.309 2.407 1.00 11.31 O ATOM 1054 CB THR A 67 6.770 11.479 1.732 1.00 72.12 C ATOM 1055 OG1 THR A 67 7.318 10.236 1.255 1.00 34.23 O ATOM 1056 CG2 THR A 67 5.276 11.260 2.054 1.00 4.53 C ATOM 0 H THR A 67 9.055 12.195 0.772 1.00 12.43 H new ATOM 0 HA THR A 67 6.316 12.407 -0.178 1.00 14.03 H new ATOM 0 HB THR A 67 7.279 11.803 2.640 1.00 72.12 H new ATOM 0 HG1 THR A 67 8.287 10.229 1.400 1.00 34.23 H new ATOM 0 HG21 THR A 67 5.176 10.471 2.800 1.00 4.53 H new ATOM 0 HG22 THR A 67 4.849 12.184 2.444 1.00 4.53 H new ATOM 0 HG23 THR A 67 4.747 10.970 1.146 1.00 4.53 H new ATOM 1064 N GLN A 68 5.963 14.830 0.413 1.00 64.24 N ATOM 1065 CA GLN A 68 5.582 16.225 0.757 1.00 41.42 C ATOM 1066 C GLN A 68 4.356 16.274 1.719 1.00 14.13 C ATOM 1067 O GLN A 68 3.459 15.434 1.591 1.00 63.44 O ATOM 1068 CB GLN A 68 5.264 17.004 -0.553 1.00 24.03 C ATOM 1069 CG GLN A 68 6.438 17.065 -1.560 1.00 43.12 C ATOM 1070 CD GLN A 68 6.102 17.789 -2.872 1.00 24.41 C ATOM 1071 OE1 GLN A 68 5.261 18.684 -2.917 1.00 50.21 O ATOM 1072 NE2 GLN A 68 6.754 17.402 -3.952 1.00 44.24 N ATOM 0 H GLN A 68 5.683 14.557 -0.529 1.00 64.24 H new ATOM 0 HA GLN A 68 6.420 16.689 1.277 1.00 41.42 H new ATOM 0 HB2 GLN A 68 4.407 16.538 -1.040 1.00 24.03 H new ATOM 0 HB3 GLN A 68 4.969 18.021 -0.294 1.00 24.03 H new ATOM 0 HG2 GLN A 68 7.283 17.566 -1.087 1.00 43.12 H new ATOM 0 HG3 GLN A 68 6.758 16.049 -1.790 1.00 43.12 H new ATOM 0 HE21 GLN A 68 7.448 16.657 -3.889 1.00 44.24 H new ATOM 0 HE22 GLN A 68 6.564 17.848 -4.849 1.00 44.24 H new ATOM 1081 N PRO A 69 4.306 17.257 2.703 1.00 43.45 N ATOM 1082 CA PRO A 69 3.136 17.461 3.627 1.00 0.05 C ATOM 1083 C PRO A 69 1.882 18.037 2.906 1.00 1.24 C ATOM 1084 O PRO A 69 1.377 19.111 3.246 1.00 74.54 O ATOM 1085 CB PRO A 69 3.702 18.448 4.689 1.00 3.03 C ATOM 1086 CG PRO A 69 4.776 19.207 3.971 1.00 21.53 C ATOM 1087 CD PRO A 69 5.404 18.219 3.010 1.00 1.14 C ATOM 0 HA PRO A 69 2.774 16.525 4.052 1.00 0.05 H new ATOM 0 HB2 PRO A 69 2.926 19.117 5.061 1.00 3.03 H new ATOM 0 HB3 PRO A 69 4.103 17.915 5.551 1.00 3.03 H new ATOM 0 HG2 PRO A 69 4.361 20.062 3.438 1.00 21.53 H new ATOM 0 HG3 PRO A 69 5.515 19.596 4.671 1.00 21.53 H new ATOM 0 HD2 PRO A 69 5.763 18.714 2.108 1.00 1.14 H new ATOM 0 HD3 PRO A 69 6.260 17.716 3.459 1.00 1.14 H new ATOM 1095 N SER A 70 1.367 17.255 1.958 1.00 35.31 N ATOM 1096 CA SER A 70 0.309 17.655 1.008 1.00 62.45 C ATOM 1097 C SER A 70 -0.029 16.442 0.125 1.00 64.53 C ATOM 1098 O SER A 70 -1.195 16.163 -0.173 1.00 0.25 O ATOM 1099 CB SER A 70 0.770 18.845 0.116 1.00 42.12 C ATOM 1100 OG SER A 70 1.955 18.526 -0.601 1.00 31.22 O ATOM 0 H SER A 70 1.679 16.294 1.819 1.00 35.31 H new ATOM 0 HA SER A 70 -0.569 17.982 1.566 1.00 62.45 H new ATOM 0 HB2 SER A 70 -0.023 19.105 -0.585 1.00 42.12 H new ATOM 0 HB3 SER A 70 0.945 19.722 0.739 1.00 42.12 H new ATOM 0 HG SER A 70 2.219 19.291 -1.153 1.00 31.22 H new ATOM 1106 N ASP A 71 1.037 15.730 -0.289 1.00 73.15 N ATOM 1107 CA ASP A 71 0.945 14.471 -1.038 1.00 53.34 C ATOM 1108 C ASP A 71 0.580 13.316 -0.067 1.00 63.23 C ATOM 1109 O ASP A 71 -0.355 12.545 -0.316 1.00 1.34 O ATOM 1110 CB ASP A 71 2.306 14.207 -1.745 1.00 70.50 C ATOM 1111 CG ASP A 71 2.187 13.173 -2.869 1.00 63.55 C ATOM 1112 OD1 ASP A 71 2.308 11.957 -2.604 1.00 24.53 O ATOM 1113 OD2 ASP A 71 1.912 13.579 -4.020 1.00 14.22 O ATOM 0 H ASP A 71 1.998 16.021 -0.108 1.00 73.15 H new ATOM 0 HA ASP A 71 0.164 14.533 -1.796 1.00 53.34 H new ATOM 0 HB2 ASP A 71 2.688 15.142 -2.154 1.00 70.50 H new ATOM 0 HB3 ASP A 71 3.033 13.860 -1.011 1.00 70.50 H new ATOM 1118 N GLY A 72 1.339 13.237 1.047 1.00 74.35 N ATOM 1119 CA GLY A 72 1.073 12.289 2.142 1.00 40.24 C ATOM 1120 C GLY A 72 -0.271 12.529 2.856 1.00 72.34 C ATOM 1121 O GLY A 72 -0.752 13.666 2.933 1.00 54.40 O ATOM 0 H GLY A 72 2.153 13.830 1.209 1.00 74.35 H new ATOM 0 HA2 GLY A 72 1.087 11.274 1.744 1.00 40.24 H new ATOM 0 HA3 GLY A 72 1.879 12.356 2.872 1.00 40.24 H new ATOM 1125 N GLY A 73 -0.861 11.443 3.384 1.00 63.15 N ATOM 1126 CA GLY A 73 -2.184 11.494 4.026 1.00 60.32 C ATOM 1127 C GLY A 73 -2.721 10.109 4.390 1.00 42.21 C ATOM 1128 O GLY A 73 -1.940 9.178 4.603 1.00 55.21 O ATOM 0 H GLY A 73 -0.439 10.514 3.378 1.00 63.15 H new ATOM 0 HA2 GLY A 73 -2.122 12.103 4.928 1.00 60.32 H new ATOM 0 HA3 GLY A 73 -2.889 11.987 3.357 1.00 60.32 H new ATOM 1132 N GLU A 74 -4.055 9.972 4.473 1.00 73.23 N ATOM 1133 CA GLU A 74 -4.716 8.681 4.792 1.00 40.04 C ATOM 1134 C GLU A 74 -5.007 7.884 3.491 1.00 34.53 C ATOM 1135 O GLU A 74 -5.995 8.134 2.795 1.00 44.32 O ATOM 1136 CB GLU A 74 -6.016 8.941 5.596 1.00 74.45 C ATOM 1137 CG GLU A 74 -5.782 9.669 6.938 1.00 2.54 C ATOM 1138 CD GLU A 74 -7.089 10.067 7.644 1.00 63.24 C ATOM 1139 OE1 GLU A 74 -7.672 9.235 8.369 1.00 33.22 O ATOM 1140 OE2 GLU A 74 -7.541 11.218 7.474 1.00 4.42 O ATOM 0 H GLU A 74 -4.707 10.742 4.323 1.00 73.23 H new ATOM 0 HA GLU A 74 -4.048 8.078 5.407 1.00 40.04 H new ATOM 0 HB2 GLU A 74 -6.698 9.533 4.986 1.00 74.45 H new ATOM 0 HB3 GLU A 74 -6.509 7.988 5.791 1.00 74.45 H new ATOM 0 HG2 GLU A 74 -5.201 9.024 7.598 1.00 2.54 H new ATOM 0 HG3 GLU A 74 -5.185 10.564 6.760 1.00 2.54 H new ATOM 1147 N PHE A 75 -4.106 6.944 3.166 1.00 12.40 N ATOM 1148 CA PHE A 75 -4.200 6.098 1.959 1.00 34.03 C ATOM 1149 C PHE A 75 -4.993 4.807 2.244 1.00 32.01 C ATOM 1150 O PHE A 75 -4.936 4.256 3.347 1.00 72.03 O ATOM 1151 CB PHE A 75 -2.781 5.758 1.441 1.00 43.33 C ATOM 1152 CG PHE A 75 -1.986 6.990 1.014 1.00 74.44 C ATOM 1153 CD1 PHE A 75 -2.147 7.531 -0.258 1.00 73.33 C ATOM 1154 CD2 PHE A 75 -1.092 7.614 1.883 1.00 53.55 C ATOM 1155 CE1 PHE A 75 -1.435 8.643 -0.649 1.00 14.14 C ATOM 1156 CE2 PHE A 75 -0.380 8.727 1.487 1.00 63.00 C ATOM 1157 CZ PHE A 75 -0.554 9.244 0.223 1.00 42.30 C ATOM 0 H PHE A 75 -3.284 6.746 3.736 1.00 12.40 H new ATOM 0 HA PHE A 75 -4.736 6.655 1.191 1.00 34.03 H new ATOM 0 HB2 PHE A 75 -2.232 5.232 2.222 1.00 43.33 H new ATOM 0 HB3 PHE A 75 -2.864 5.076 0.595 1.00 43.33 H new ATOM 0 HD1 PHE A 75 -2.840 7.072 -0.948 1.00 73.33 H new ATOM 0 HD2 PHE A 75 -0.955 7.221 2.879 1.00 53.55 H new ATOM 0 HE1 PHE A 75 -1.568 9.045 -1.642 1.00 14.14 H new ATOM 0 HE2 PHE A 75 0.315 9.194 2.169 1.00 63.00 H new ATOM 0 HZ PHE A 75 -0.001 10.119 -0.084 1.00 42.30 H new ATOM 1167 N GLN A 76 -5.726 4.328 1.227 1.00 25.22 N ATOM 1168 CA GLN A 76 -6.640 3.177 1.362 1.00 0.31 C ATOM 1169 C GLN A 76 -6.488 2.201 0.172 1.00 64.31 C ATOM 1170 O GLN A 76 -6.659 2.594 -0.985 1.00 71.14 O ATOM 1171 CB GLN A 76 -8.096 3.699 1.471 1.00 3.15 C ATOM 1172 CG GLN A 76 -9.157 2.609 1.709 1.00 44.31 C ATOM 1173 CD GLN A 76 -10.575 3.171 1.832 1.00 34.32 C ATOM 1174 OE1 GLN A 76 -11.042 3.492 2.920 1.00 34.33 O ATOM 1175 NE2 GLN A 76 -11.260 3.320 0.717 1.00 33.21 N ATOM 0 H GLN A 76 -5.704 4.725 0.288 1.00 25.22 H new ATOM 0 HA GLN A 76 -6.387 2.622 2.266 1.00 0.31 H new ATOM 0 HB2 GLN A 76 -8.148 4.421 2.286 1.00 3.15 H new ATOM 0 HB3 GLN A 76 -8.345 4.234 0.555 1.00 3.15 H new ATOM 0 HG2 GLN A 76 -9.126 1.894 0.887 1.00 44.31 H new ATOM 0 HG3 GLN A 76 -8.909 2.061 2.618 1.00 44.31 H new ATOM 0 HE21 GLN A 76 -10.849 3.045 -0.175 1.00 33.21 H new ATOM 0 HE22 GLN A 76 -12.202 3.710 0.745 1.00 33.21 H new ATOM 1184 N CYS A 77 -6.149 0.932 0.474 1.00 72.50 N ATOM 1185 CA CYS A 77 -6.033 -0.148 -0.533 1.00 42.42 C ATOM 1186 C CYS A 77 -7.320 -0.990 -0.578 1.00 40.24 C ATOM 1187 O CYS A 77 -7.482 -1.903 0.230 1.00 23.01 O ATOM 1188 CB CYS A 77 -4.836 -1.060 -0.189 1.00 3.54 C ATOM 1189 SG CYS A 77 -3.264 -0.204 -0.135 1.00 44.51 S ATOM 0 H CYS A 77 -5.947 0.624 1.425 1.00 72.50 H new ATOM 0 HA CYS A 77 -5.877 0.309 -1.510 1.00 42.42 H new ATOM 0 HB2 CYS A 77 -5.016 -1.530 0.778 1.00 3.54 H new ATOM 0 HB3 CYS A 77 -4.778 -1.860 -0.927 1.00 3.54 H new ATOM 0 HG CYS A 77 -3.181 0.616 -1.141 1.00 44.51 H new ATOM 1195 N VAL A 78 -8.227 -0.691 -1.521 1.00 43.05 N ATOM 1196 CA VAL A 78 -9.492 -1.451 -1.666 1.00 61.24 C ATOM 1197 C VAL A 78 -9.260 -2.711 -2.525 1.00 22.10 C ATOM 1198 O VAL A 78 -8.784 -2.620 -3.654 1.00 12.33 O ATOM 1199 CB VAL A 78 -10.641 -0.573 -2.285 1.00 42.40 C ATOM 1200 CG1 VAL A 78 -11.972 -1.367 -2.394 1.00 5.11 C ATOM 1201 CG2 VAL A 78 -10.835 0.721 -1.458 1.00 40.31 C ATOM 0 H VAL A 78 -8.115 0.067 -2.195 1.00 43.05 H new ATOM 0 HA VAL A 78 -9.812 -1.748 -0.667 1.00 61.24 H new ATOM 0 HB VAL A 78 -10.344 -0.298 -3.297 1.00 42.40 H new ATOM 0 HG11 VAL A 78 -12.742 -0.728 -2.826 1.00 5.11 H new ATOM 0 HG12 VAL A 78 -11.824 -2.239 -3.031 1.00 5.11 H new ATOM 0 HG13 VAL A 78 -12.284 -1.692 -1.401 1.00 5.11 H new ATOM 0 HG21 VAL A 78 -11.633 1.318 -1.899 1.00 40.31 H new ATOM 0 HG22 VAL A 78 -11.099 0.461 -0.433 1.00 40.31 H new ATOM 0 HG23 VAL A 78 -9.909 1.296 -1.459 1.00 40.31 H new ATOM 1211 N ALA A 79 -9.592 -3.881 -1.969 1.00 44.24 N ATOM 1212 CA ALA A 79 -9.394 -5.178 -2.637 1.00 23.55 C ATOM 1213 C ALA A 79 -10.608 -6.103 -2.407 1.00 51.51 C ATOM 1214 O ALA A 79 -10.676 -6.820 -1.397 1.00 21.53 O ATOM 1215 CB ALA A 79 -8.094 -5.822 -2.139 1.00 2.44 C ATOM 0 H ALA A 79 -10.007 -3.959 -1.040 1.00 44.24 H new ATOM 0 HA ALA A 79 -9.309 -5.018 -3.712 1.00 23.55 H new ATOM 0 HB1 ALA A 79 -7.950 -6.782 -2.635 1.00 2.44 H new ATOM 0 HB2 ALA A 79 -7.253 -5.167 -2.366 1.00 2.44 H new ATOM 0 HB3 ALA A 79 -8.154 -5.976 -1.062 1.00 2.44 H new ATOM 1221 N GLY A 80 -11.590 -6.015 -3.329 1.00 3.55 N ATOM 1222 CA GLY A 80 -12.755 -6.901 -3.344 1.00 43.21 C ATOM 1223 C GLY A 80 -13.766 -6.579 -2.254 1.00 22.21 C ATOM 1224 O GLY A 80 -14.745 -5.865 -2.497 1.00 74.42 O ATOM 0 H GLY A 80 -11.590 -5.325 -4.080 1.00 3.55 H new ATOM 0 HA2 GLY A 80 -13.244 -6.832 -4.316 1.00 43.21 H new ATOM 0 HA3 GLY A 80 -12.421 -7.932 -3.228 1.00 43.21 H new ATOM 1228 N ASP A 81 -13.509 -7.092 -1.042 1.00 43.01 N ATOM 1229 CA ASP A 81 -14.422 -6.943 0.107 1.00 54.35 C ATOM 1230 C ASP A 81 -13.845 -5.990 1.180 1.00 31.42 C ATOM 1231 O ASP A 81 -14.597 -5.312 1.887 1.00 53.31 O ATOM 1232 CB ASP A 81 -14.699 -8.334 0.728 1.00 53.30 C ATOM 1233 CG ASP A 81 -15.135 -9.373 -0.320 1.00 62.42 C ATOM 1234 OD1 ASP A 81 -16.212 -9.198 -0.930 1.00 44.42 O ATOM 1235 OD2 ASP A 81 -14.411 -10.369 -0.531 1.00 70.22 O ATOM 0 H ASP A 81 -12.664 -7.622 -0.828 1.00 43.01 H new ATOM 0 HA ASP A 81 -15.352 -6.505 -0.254 1.00 54.35 H new ATOM 0 HB2 ASP A 81 -13.800 -8.688 1.233 1.00 53.30 H new ATOM 0 HB3 ASP A 81 -15.476 -8.241 1.487 1.00 53.30 H new ATOM 1240 N GLU A 82 -12.502 -5.934 1.283 1.00 12.43 N ATOM 1241 CA GLU A 82 -11.798 -5.227 2.387 1.00 15.45 C ATOM 1242 C GLU A 82 -10.979 -4.012 1.891 1.00 30.43 C ATOM 1243 O GLU A 82 -10.909 -3.739 0.690 1.00 51.24 O ATOM 1244 CB GLU A 82 -10.878 -6.228 3.131 1.00 32.55 C ATOM 1245 CG GLU A 82 -11.620 -7.445 3.732 1.00 44.21 C ATOM 1246 CD GLU A 82 -10.708 -8.414 4.503 1.00 63.00 C ATOM 1247 OE1 GLU A 82 -9.504 -8.492 4.192 1.00 63.23 O ATOM 1248 OE2 GLU A 82 -11.207 -9.134 5.396 1.00 15.11 O ATOM 0 H GLU A 82 -11.873 -6.373 0.611 1.00 12.43 H new ATOM 0 HA GLU A 82 -12.556 -4.836 3.066 1.00 15.45 H new ATOM 0 HB2 GLU A 82 -10.116 -6.587 2.439 1.00 32.55 H new ATOM 0 HB3 GLU A 82 -10.359 -5.701 3.932 1.00 32.55 H new ATOM 0 HG2 GLU A 82 -12.402 -7.087 4.402 1.00 44.21 H new ATOM 0 HG3 GLU A 82 -12.115 -7.990 2.928 1.00 44.21 H new ATOM 1255 N CYS A 83 -10.360 -3.287 2.851 1.00 72.02 N ATOM 1256 CA CYS A 83 -9.531 -2.092 2.570 1.00 74.11 C ATOM 1257 C CYS A 83 -8.496 -1.838 3.702 1.00 73.13 C ATOM 1258 O CYS A 83 -8.862 -1.755 4.879 1.00 71.23 O ATOM 1259 CB CYS A 83 -10.433 -0.854 2.372 1.00 72.15 C ATOM 1260 SG CYS A 83 -11.502 -0.488 3.778 1.00 34.03 S ATOM 0 H CYS A 83 -10.421 -3.514 3.843 1.00 72.02 H new ATOM 0 HA CYS A 83 -8.975 -2.276 1.651 1.00 74.11 H new ATOM 0 HB2 CYS A 83 -9.803 0.013 2.173 1.00 72.15 H new ATOM 0 HB3 CYS A 83 -11.053 -1.007 1.488 1.00 72.15 H new ATOM 0 HG CYS A 83 -10.834 -0.643 4.883 1.00 34.03 H new ATOM 1266 N ALA A 84 -7.203 -1.711 3.329 1.00 33.41 N ATOM 1267 CA ALA A 84 -6.090 -1.472 4.289 1.00 62.30 C ATOM 1268 C ALA A 84 -5.798 0.042 4.427 1.00 25.02 C ATOM 1269 O ALA A 84 -5.783 0.761 3.428 1.00 22.34 O ATOM 1270 CB ALA A 84 -4.827 -2.221 3.823 1.00 3.14 C ATOM 0 H ALA A 84 -6.897 -1.770 2.358 1.00 33.41 H new ATOM 0 HA ALA A 84 -6.388 -1.850 5.267 1.00 62.30 H new ATOM 0 HB1 ALA A 84 -4.016 -2.042 4.529 1.00 3.14 H new ATOM 0 HB2 ALA A 84 -5.035 -3.290 3.773 1.00 3.14 H new ATOM 0 HB3 ALA A 84 -4.534 -1.862 2.836 1.00 3.14 H new ATOM 1276 N TYR A 85 -5.556 0.514 5.666 1.00 21.32 N ATOM 1277 CA TYR A 85 -5.406 1.965 5.967 1.00 31.24 C ATOM 1278 C TYR A 85 -3.938 2.332 6.294 1.00 3.02 C ATOM 1279 O TYR A 85 -3.261 1.607 7.024 1.00 41.20 O ATOM 1280 CB TYR A 85 -6.319 2.354 7.154 1.00 71.21 C ATOM 1281 CG TYR A 85 -7.798 1.977 6.947 1.00 15.12 C ATOM 1282 CD1 TYR A 85 -8.629 2.738 6.117 1.00 0.43 C ATOM 1283 CD2 TYR A 85 -8.361 0.859 7.579 1.00 52.34 C ATOM 1284 CE1 TYR A 85 -9.957 2.399 5.927 1.00 21.03 C ATOM 1285 CE2 TYR A 85 -9.691 0.521 7.387 1.00 4.35 C ATOM 1286 CZ TYR A 85 -10.481 1.296 6.563 1.00 54.41 C ATOM 1287 OH TYR A 85 -11.805 0.961 6.369 1.00 61.54 O ATOM 0 H TYR A 85 -5.459 -0.087 6.484 1.00 21.32 H new ATOM 0 HA TYR A 85 -5.701 2.522 5.077 1.00 31.24 H new ATOM 0 HB2 TYR A 85 -5.952 1.867 8.058 1.00 71.21 H new ATOM 0 HB3 TYR A 85 -6.247 3.429 7.319 1.00 71.21 H new ATOM 0 HD1 TYR A 85 -8.226 3.606 5.616 1.00 0.43 H new ATOM 0 HD2 TYR A 85 -7.747 0.251 8.227 1.00 52.34 H new ATOM 0 HE1 TYR A 85 -10.581 2.998 5.281 1.00 21.03 H new ATOM 0 HE2 TYR A 85 -10.107 -0.345 7.880 1.00 4.35 H new ATOM 0 HH TYR A 85 -11.949 0.727 5.428 1.00 61.54 H new ATOM 1297 N PHE A 86 -3.466 3.471 5.744 1.00 14.13 N ATOM 1298 CA PHE A 86 -2.094 3.993 5.963 1.00 64.53 C ATOM 1299 C PHE A 86 -2.171 5.503 6.282 1.00 53.51 C ATOM 1300 O PHE A 86 -2.461 6.302 5.400 1.00 44.32 O ATOM 1301 CB PHE A 86 -1.220 3.765 4.691 1.00 10.51 C ATOM 1302 CG PHE A 86 -1.156 2.310 4.226 1.00 63.31 C ATOM 1303 CD1 PHE A 86 -0.218 1.428 4.761 1.00 1.22 C ATOM 1304 CD2 PHE A 86 -2.054 1.819 3.272 1.00 20.41 C ATOM 1305 CE1 PHE A 86 -0.174 0.111 4.353 1.00 44.21 C ATOM 1306 CE2 PHE A 86 -2.007 0.500 2.871 1.00 34.40 C ATOM 1307 CZ PHE A 86 -1.070 -0.353 3.410 1.00 22.41 C ATOM 0 H PHE A 86 -4.028 4.061 5.130 1.00 14.13 H new ATOM 0 HA PHE A 86 -1.637 3.463 6.799 1.00 64.53 H new ATOM 0 HB2 PHE A 86 -1.613 4.377 3.879 1.00 10.51 H new ATOM 0 HB3 PHE A 86 -0.208 4.115 4.892 1.00 10.51 H new ATOM 0 HD1 PHE A 86 0.483 1.780 5.504 1.00 1.22 H new ATOM 0 HD2 PHE A 86 -2.793 2.481 2.844 1.00 20.41 H new ATOM 0 HE1 PHE A 86 0.563 -0.559 4.772 1.00 44.21 H new ATOM 0 HE2 PHE A 86 -2.706 0.136 2.133 1.00 34.40 H new ATOM 0 HZ PHE A 86 -1.036 -1.386 3.095 1.00 22.41 H new ATOM 1317 N THR A 87 -1.883 5.897 7.533 1.00 61.11 N ATOM 1318 CA THR A 87 -2.017 7.310 7.975 1.00 34.14 C ATOM 1319 C THR A 87 -0.630 7.975 8.075 1.00 15.45 C ATOM 1320 O THR A 87 0.094 7.796 9.056 1.00 32.41 O ATOM 1321 CB THR A 87 -2.768 7.393 9.350 1.00 24.44 C ATOM 1322 OG1 THR A 87 -4.024 6.707 9.250 1.00 15.41 O ATOM 1323 CG2 THR A 87 -3.028 8.843 9.801 1.00 2.13 C ATOM 0 H THR A 87 -1.555 5.263 8.262 1.00 61.11 H new ATOM 0 HA THR A 87 -2.607 7.848 7.232 1.00 34.14 H new ATOM 0 HB THR A 87 -2.123 6.926 10.095 1.00 24.44 H new ATOM 0 HG1 THR A 87 -4.493 6.757 10.109 1.00 15.41 H new ATOM 0 HG21 THR A 87 -3.550 8.838 10.758 1.00 2.13 H new ATOM 0 HG22 THR A 87 -2.078 9.367 9.908 1.00 2.13 H new ATOM 0 HG23 THR A 87 -3.640 9.351 9.056 1.00 2.13 H new ATOM 1331 N VAL A 88 -0.277 8.762 7.045 1.00 31.11 N ATOM 1332 CA VAL A 88 1.053 9.392 6.920 1.00 42.32 C ATOM 1333 C VAL A 88 1.038 10.817 7.533 1.00 60.21 C ATOM 1334 O VAL A 88 0.507 11.760 6.929 1.00 63.21 O ATOM 1335 CB VAL A 88 1.513 9.435 5.411 1.00 73.53 C ATOM 1336 CG1 VAL A 88 2.939 10.023 5.261 1.00 72.11 C ATOM 1337 CG2 VAL A 88 1.422 8.026 4.767 1.00 61.54 C ATOM 0 H VAL A 88 -0.906 8.981 6.272 1.00 31.11 H new ATOM 0 HA VAL A 88 1.772 8.788 7.474 1.00 42.32 H new ATOM 0 HB VAL A 88 0.832 10.099 4.880 1.00 73.53 H new ATOM 0 HG11 VAL A 88 3.218 10.035 4.208 1.00 72.11 H new ATOM 0 HG12 VAL A 88 2.956 11.040 5.653 1.00 72.11 H new ATOM 0 HG13 VAL A 88 3.647 9.408 5.817 1.00 72.11 H new ATOM 0 HG21 VAL A 88 1.744 8.080 3.727 1.00 61.54 H new ATOM 0 HG22 VAL A 88 2.066 7.335 5.311 1.00 61.54 H new ATOM 0 HG23 VAL A 88 0.392 7.672 4.810 1.00 61.54 H new ATOM 1347 N THR A 89 1.581 10.938 8.758 1.00 24.43 N ATOM 1348 CA THR A 89 1.718 12.219 9.484 1.00 55.44 C ATOM 1349 C THR A 89 3.087 12.863 9.185 1.00 62.21 C ATOM 1350 O THR A 89 4.138 12.281 9.485 1.00 33.14 O ATOM 1351 CB THR A 89 1.560 12.000 11.028 1.00 14.44 C ATOM 1352 OG1 THR A 89 0.275 11.419 11.291 1.00 51.30 O ATOM 1353 CG2 THR A 89 1.706 13.304 11.839 1.00 74.31 C ATOM 0 H THR A 89 1.942 10.140 9.280 1.00 24.43 H new ATOM 0 HA THR A 89 0.928 12.888 9.143 1.00 55.44 H new ATOM 0 HB THR A 89 2.363 11.335 11.345 1.00 14.44 H new ATOM 0 HG1 THR A 89 0.171 11.278 12.255 1.00 51.30 H new ATOM 0 HG21 THR A 89 1.587 13.088 12.901 1.00 74.31 H new ATOM 0 HG22 THR A 89 2.693 13.732 11.665 1.00 74.31 H new ATOM 0 HG23 THR A 89 0.942 14.015 11.526 1.00 74.31 H new ATOM 1361 N ILE A 90 3.066 14.060 8.571 1.00 72.00 N ATOM 1362 CA ILE A 90 4.291 14.799 8.181 1.00 30.14 C ATOM 1363 C ILE A 90 4.381 16.143 8.927 1.00 12.53 C ATOM 1364 O ILE A 90 4.002 16.246 10.102 1.00 73.25 O ATOM 1365 CB ILE A 90 4.319 15.033 6.622 1.00 12.00 C ATOM 1366 CG1 ILE A 90 4.093 13.680 5.863 1.00 44.32 C ATOM 1367 CG2 ILE A 90 5.646 15.709 6.171 1.00 71.15 C ATOM 1368 CD1 ILE A 90 3.980 13.796 4.359 1.00 4.11 C ATOM 0 H ILE A 90 2.202 14.546 8.329 1.00 72.00 H new ATOM 0 HA ILE A 90 5.156 14.196 8.459 1.00 30.14 H new ATOM 0 HB ILE A 90 3.505 15.713 6.369 1.00 12.00 H new ATOM 0 HG12 ILE A 90 4.918 13.008 6.098 1.00 44.32 H new ATOM 0 HG13 ILE A 90 3.184 13.215 6.245 1.00 44.32 H new ATOM 0 HG21 ILE A 90 5.631 15.855 5.091 1.00 71.15 H new ATOM 0 HG22 ILE A 90 5.749 16.674 6.667 1.00 71.15 H new ATOM 0 HG23 ILE A 90 6.489 15.072 6.439 1.00 71.15 H new ATOM 0 HD11 ILE A 90 3.825 12.807 3.928 1.00 4.11 H new ATOM 0 HD12 ILE A 90 3.136 14.438 4.106 1.00 4.11 H new ATOM 0 HD13 ILE A 90 4.897 14.227 3.957 1.00 4.11 H new