USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 678 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 58 ASN : amide:sc= -1.42 K(o=-5.4,f=-8.3!) USER MOD Set 1.2: A 77 SER OG : rot 101:sc= -4! USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.0168 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS :FLIP no HE2:sc= -0.747 F(o=-2.2!,f=-0.75) USER MOD Single : A 30 THR OG1 : rot -168:sc= -1.42 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.979 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0216) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.365 K(o=-0.37,f=-2.9!) USER MOD Single : A 65 MET CE :methyl -107:sc= -4.52! (180deg=-10.7!) USER MOD Single : A 67 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.019) USER MOD Single : A 71 GLN : amide:sc= -1.06 K(o=-1.1,f=-4.5!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.035 X(o=-0.035,f=-0.39) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.599 28.657 2.769 1.00 0.00 N ATOM 2 CA GLY A 1 -5.390 27.459 2.543 1.00 0.00 C ATOM 3 C GLY A 1 -5.692 26.745 3.862 1.00 0.00 C ATOM 4 O GLY A 1 -4.839 26.680 4.746 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.847 28.717 2.053 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.211 29.495 2.700 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.172 28.617 3.717 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.324 27.724 2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.853 26.785 1.875 1.00 0.00 H new ATOM 8 N SER A 2 -6.908 26.227 3.953 1.00 0.00 N ATOM 9 CA SER A 2 -7.333 25.520 5.149 1.00 0.00 C ATOM 10 C SER A 2 -6.704 24.125 5.183 1.00 0.00 C ATOM 11 O SER A 2 -6.006 23.779 6.134 1.00 0.00 O ATOM 12 CB SER A 2 -8.858 25.416 5.215 1.00 0.00 C ATOM 13 OG SER A 2 -9.299 24.787 6.415 1.00 0.00 O ATOM 0 H SER A 2 -7.613 26.283 3.218 1.00 0.00 H new ATOM 0 HA SER A 2 -6.997 26.085 6.018 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.293 26.413 5.148 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.220 24.852 4.356 1.00 0.00 H new ATOM 0 HG SER A 2 -10.278 24.741 6.420 1.00 0.00 H new ATOM 19 N SER A 3 -6.976 23.363 4.134 1.00 0.00 N ATOM 20 CA SER A 3 -6.445 22.014 4.033 1.00 0.00 C ATOM 21 C SER A 3 -4.916 22.050 4.049 1.00 0.00 C ATOM 22 O SER A 3 -4.308 22.986 3.532 1.00 0.00 O ATOM 23 CB SER A 3 -6.946 21.319 2.765 1.00 0.00 C ATOM 24 OG SER A 3 -7.719 20.159 3.061 1.00 0.00 O ATOM 0 H SER A 3 -7.557 23.653 3.347 1.00 0.00 H new ATOM 0 HA SER A 3 -6.797 21.443 4.892 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.548 22.017 2.183 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.095 21.039 2.145 1.00 0.00 H new ATOM 0 HG SER A 3 -8.021 19.745 2.226 1.00 0.00 H new ATOM 30 N GLY A 4 -4.338 21.019 4.648 1.00 0.00 N ATOM 31 CA GLY A 4 -2.891 20.921 4.739 1.00 0.00 C ATOM 32 C GLY A 4 -2.394 19.592 4.167 1.00 0.00 C ATOM 33 O GLY A 4 -2.398 19.395 2.952 1.00 0.00 O ATOM 0 H GLY A 4 -4.846 20.244 5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.432 21.748 4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.582 21.011 5.780 1.00 0.00 H new ATOM 37 N SER A 5 -1.979 18.714 5.068 1.00 0.00 N ATOM 38 CA SER A 5 -1.481 17.410 4.668 1.00 0.00 C ATOM 39 C SER A 5 -2.633 16.544 4.154 1.00 0.00 C ATOM 40 O SER A 5 -3.674 16.442 4.801 1.00 0.00 O ATOM 41 CB SER A 5 -0.770 16.712 5.830 1.00 0.00 C ATOM 42 OG SER A 5 -1.691 16.212 6.796 1.00 0.00 O ATOM 0 H SER A 5 -1.978 18.881 6.074 1.00 0.00 H new ATOM 0 HA SER A 5 -0.756 17.552 3.866 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.167 15.890 5.445 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.086 17.412 6.310 1.00 0.00 H new ATOM 0 HG SER A 5 -1.199 15.772 7.520 1.00 0.00 H new ATOM 48 N SER A 6 -2.408 15.943 2.995 1.00 0.00 N ATOM 49 CA SER A 6 -3.415 15.090 2.386 1.00 0.00 C ATOM 50 C SER A 6 -2.756 13.837 1.805 1.00 0.00 C ATOM 51 O SER A 6 -2.488 13.772 0.606 1.00 0.00 O ATOM 52 CB SER A 6 -4.186 15.839 1.297 1.00 0.00 C ATOM 53 OG SER A 6 -4.936 16.928 1.827 1.00 0.00 O ATOM 0 H SER A 6 -1.543 16.030 2.461 1.00 0.00 H new ATOM 0 HA SER A 6 -4.126 14.794 3.158 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.487 16.211 0.548 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.859 15.148 0.789 1.00 0.00 H new ATOM 0 HG SER A 6 -5.412 17.381 1.100 1.00 0.00 H new ATOM 59 N GLY A 7 -2.516 12.873 2.681 1.00 0.00 N ATOM 60 CA GLY A 7 -1.894 11.626 2.270 1.00 0.00 C ATOM 61 C GLY A 7 -1.051 11.034 3.401 1.00 0.00 C ATOM 62 O GLY A 7 -0.116 11.672 3.882 1.00 0.00 O ATOM 0 H GLY A 7 -2.741 12.930 3.674 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.663 10.913 1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.266 11.800 1.396 1.00 0.00 H new ATOM 66 N LEU A 8 -1.412 9.821 3.793 1.00 0.00 N ATOM 67 CA LEU A 8 -0.701 9.136 4.859 1.00 0.00 C ATOM 68 C LEU A 8 0.027 7.921 4.282 1.00 0.00 C ATOM 69 O LEU A 8 -0.357 7.403 3.234 1.00 0.00 O ATOM 70 CB LEU A 8 -1.654 8.795 6.006 1.00 0.00 C ATOM 71 CG LEU A 8 -1.557 7.371 6.557 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.038 7.310 8.008 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.310 6.384 5.662 1.00 0.00 C ATOM 0 H LEU A 8 -2.188 9.295 3.391 1.00 0.00 H new ATOM 0 HA LEU A 8 0.059 9.788 5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.472 9.493 6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.676 8.963 5.665 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.508 7.074 6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.958 6.287 8.375 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.422 7.965 8.624 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.077 7.635 8.061 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.225 5.379 6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.361 6.668 5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.881 6.401 4.660 1.00 0.00 H new ATOM 85 N THR A 9 1.065 7.501 4.990 1.00 0.00 N ATOM 86 CA THR A 9 1.850 6.356 4.561 1.00 0.00 C ATOM 87 C THR A 9 1.645 5.180 5.518 1.00 0.00 C ATOM 88 O THR A 9 1.191 5.365 6.646 1.00 0.00 O ATOM 89 CB THR A 9 3.310 6.800 4.446 1.00 0.00 C ATOM 90 OG1 THR A 9 3.288 7.809 3.440 1.00 0.00 O ATOM 91 CG2 THR A 9 4.209 5.709 3.861 1.00 0.00 C ATOM 0 H THR A 9 1.381 7.933 5.858 1.00 0.00 H new ATOM 0 HA THR A 9 1.527 5.998 3.584 1.00 0.00 H new ATOM 0 HB THR A 9 3.681 7.087 5.430 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.195 8.154 3.303 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.234 6.075 3.801 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.176 4.828 4.502 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.859 5.445 2.863 1.00 0.00 H new ATOM 99 N VAL A 10 1.990 3.997 5.033 1.00 0.00 N ATOM 100 CA VAL A 10 1.851 2.791 5.831 1.00 0.00 C ATOM 101 C VAL A 10 3.176 2.026 5.829 1.00 0.00 C ATOM 102 O VAL A 10 3.976 2.168 4.906 1.00 0.00 O ATOM 103 CB VAL A 10 0.677 1.955 5.316 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.920 1.497 3.876 1.00 0.00 C ATOM 105 CG2 VAL A 10 0.410 0.760 6.233 1.00 0.00 C ATOM 0 H VAL A 10 2.366 3.848 4.097 1.00 0.00 H new ATOM 0 HA VAL A 10 1.624 3.043 6.867 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.211 2.587 5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.071 0.905 3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.037 2.368 3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.825 0.891 3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.429 0.183 5.844 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.297 0.128 6.274 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.171 1.116 7.235 1.00 0.00 H new ATOM 115 N ASP A 11 3.366 1.232 6.872 1.00 0.00 N ATOM 116 CA ASP A 11 4.580 0.444 7.002 1.00 0.00 C ATOM 117 C ASP A 11 4.210 -1.015 7.274 1.00 0.00 C ATOM 118 O ASP A 11 4.011 -1.404 8.424 1.00 0.00 O ATOM 119 CB ASP A 11 5.436 0.941 8.168 1.00 0.00 C ATOM 120 CG ASP A 11 4.649 1.462 9.372 1.00 0.00 C ATOM 121 OD1 ASP A 11 4.255 2.647 9.322 1.00 0.00 O ATOM 122 OD2 ASP A 11 4.460 0.664 10.315 1.00 0.00 O ATOM 0 H ASP A 11 2.699 1.117 7.635 1.00 0.00 H new ATOM 0 HA ASP A 11 5.144 0.538 6.074 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.080 0.127 8.499 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.088 1.737 7.807 1.00 0.00 H new ATOM 127 N VAL A 12 4.128 -1.783 6.197 1.00 0.00 N ATOM 128 CA VAL A 12 3.785 -3.190 6.306 1.00 0.00 C ATOM 129 C VAL A 12 5.006 -3.972 6.795 1.00 0.00 C ATOM 130 O VAL A 12 6.140 -3.525 6.630 1.00 0.00 O ATOM 131 CB VAL A 12 3.244 -3.702 4.969 1.00 0.00 C ATOM 132 CG1 VAL A 12 2.714 -5.131 5.103 1.00 0.00 C ATOM 133 CG2 VAL A 12 2.165 -2.766 4.420 1.00 0.00 C ATOM 0 H VAL A 12 4.293 -1.457 5.245 1.00 0.00 H new ATOM 0 HA VAL A 12 2.992 -3.334 7.039 1.00 0.00 H new ATOM 0 HB VAL A 12 4.069 -3.716 4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.336 -5.471 4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.520 -5.789 5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.909 -5.153 5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.797 -3.153 3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.340 -2.705 5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.588 -1.773 4.269 1.00 0.00 H new ATOM 143 N ALA A 13 4.733 -5.125 7.387 1.00 0.00 N ATOM 144 CA ALA A 13 5.795 -5.973 7.901 1.00 0.00 C ATOM 145 C ALA A 13 5.818 -7.286 7.116 1.00 0.00 C ATOM 146 O ALA A 13 4.946 -8.136 7.294 1.00 0.00 O ATOM 147 CB ALA A 13 5.591 -6.194 9.401 1.00 0.00 C ATOM 0 H ALA A 13 3.791 -5.492 7.522 1.00 0.00 H new ATOM 0 HA ALA A 13 6.766 -5.494 7.771 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.388 -6.830 9.787 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.612 -5.234 9.916 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.628 -6.676 9.570 1.00 0.00 H new ATOM 153 N GLY A 14 6.825 -7.411 6.264 1.00 0.00 N ATOM 154 CA GLY A 14 6.974 -8.607 5.451 1.00 0.00 C ATOM 155 C GLY A 14 7.392 -9.804 6.307 1.00 0.00 C ATOM 156 O GLY A 14 7.332 -9.745 7.534 1.00 0.00 O ATOM 0 H GLY A 14 7.546 -6.704 6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.033 -8.827 4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.719 -8.433 4.675 1.00 0.00 H new ATOM 160 N PRO A 15 7.818 -10.890 5.608 1.00 0.00 N ATOM 161 CA PRO A 15 7.858 -10.876 4.156 1.00 0.00 C ATOM 162 C PRO A 15 6.451 -11.005 3.567 1.00 0.00 C ATOM 163 O PRO A 15 5.460 -10.824 4.273 1.00 0.00 O ATOM 164 CB PRO A 15 8.769 -12.032 3.776 1.00 0.00 C ATOM 165 CG PRO A 15 8.832 -12.932 5.000 1.00 0.00 C ATOM 166 CD PRO A 15 8.271 -12.154 6.179 1.00 0.00 C ATOM 0 HA PRO A 15 8.240 -9.937 3.755 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.377 -12.572 2.914 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.762 -11.674 3.503 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.256 -13.843 4.835 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.860 -13.236 5.198 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.449 -12.691 6.653 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.030 -11.993 6.944 1.00 0.00 H new ATOM 174 N ALA A 16 6.409 -11.318 2.281 1.00 0.00 N ATOM 175 CA ALA A 16 5.141 -11.474 1.589 1.00 0.00 C ATOM 176 C ALA A 16 4.624 -12.899 1.796 1.00 0.00 C ATOM 177 O ALA A 16 5.372 -13.779 2.218 1.00 0.00 O ATOM 178 CB ALA A 16 5.319 -11.127 0.110 1.00 0.00 C ATOM 0 H ALA A 16 7.233 -11.468 1.699 1.00 0.00 H new ATOM 0 HA ALA A 16 4.396 -10.791 1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.367 -11.244 -0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.658 -10.095 0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.058 -11.794 -0.334 1.00 0.00 H new ATOM 184 N PRO A 17 3.314 -13.087 1.480 1.00 0.00 N ATOM 185 CA PRO A 17 2.499 -11.990 0.987 1.00 0.00 C ATOM 186 C PRO A 17 2.124 -11.032 2.119 1.00 0.00 C ATOM 187 O PRO A 17 2.321 -11.345 3.292 1.00 0.00 O ATOM 188 CB PRO A 17 1.291 -12.655 0.347 1.00 0.00 C ATOM 189 CG PRO A 17 1.243 -14.066 0.913 1.00 0.00 C ATOM 190 CD PRO A 17 2.578 -14.343 1.585 1.00 0.00 C ATOM 0 HA PRO A 17 3.025 -11.368 0.263 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.376 -12.110 0.579 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.385 -12.673 -0.739 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.427 -14.163 1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.057 -14.790 0.119 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.444 -14.637 2.626 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.109 -15.156 1.090 1.00 0.00 H new ATOM 198 N TRP A 18 1.591 -9.884 1.728 1.00 0.00 N ATOM 199 CA TRP A 18 1.187 -8.878 2.696 1.00 0.00 C ATOM 200 C TRP A 18 -0.164 -9.298 3.277 1.00 0.00 C ATOM 201 O TRP A 18 -0.341 -9.316 4.494 1.00 0.00 O ATOM 202 CB TRP A 18 1.159 -7.487 2.061 1.00 0.00 C ATOM 203 CG TRP A 18 2.386 -7.168 1.204 1.00 0.00 C ATOM 204 CD1 TRP A 18 2.462 -7.090 -0.132 1.00 0.00 C ATOM 205 CD2 TRP A 18 3.718 -6.887 1.682 1.00 0.00 C ATOM 206 NE1 TRP A 18 3.741 -6.780 -0.548 1.00 0.00 N ATOM 207 CE2 TRP A 18 4.529 -6.652 0.590 1.00 0.00 C ATOM 208 CE3 TRP A 18 4.222 -6.832 2.993 1.00 0.00 C ATOM 209 CZ2 TRP A 18 5.891 -6.347 0.697 1.00 0.00 C ATOM 210 CZ3 TRP A 18 5.585 -6.525 3.084 1.00 0.00 C ATOM 211 CH2 TRP A 18 6.415 -6.287 1.994 1.00 0.00 C ATOM 0 H TRP A 18 1.429 -9.628 0.754 1.00 0.00 H new ATOM 0 HA TRP A 18 1.910 -8.812 3.509 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.265 -7.399 1.444 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.076 -6.740 2.851 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.628 -7.250 -0.799 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.051 -6.666 -1.513 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.606 -7.012 3.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.504 -6.168 -0.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 6.022 -6.469 4.070 1.00 0.00 H new ATOM 0 HH2 TRP A 18 7.459 -6.057 2.147 1.00 0.00 H new ATOM 222 N GLY A 19 -1.083 -9.624 2.380 1.00 0.00 N ATOM 223 CA GLY A 19 -2.413 -10.041 2.789 1.00 0.00 C ATOM 224 C GLY A 19 -3.471 -9.042 2.318 1.00 0.00 C ATOM 225 O GLY A 19 -4.603 -9.056 2.800 1.00 0.00 O ATOM 0 H GLY A 19 -0.932 -9.608 1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.631 -11.027 2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.452 -10.132 3.875 1.00 0.00 H new ATOM 229 N PHE A 20 -3.066 -8.197 1.381 1.00 0.00 N ATOM 230 CA PHE A 20 -3.964 -7.192 0.840 1.00 0.00 C ATOM 231 C PHE A 20 -3.902 -7.167 -0.689 1.00 0.00 C ATOM 232 O PHE A 20 -2.848 -7.410 -1.274 1.00 0.00 O ATOM 233 CB PHE A 20 -3.499 -5.838 1.380 1.00 0.00 C ATOM 234 CG PHE A 20 -2.229 -5.306 0.714 1.00 0.00 C ATOM 235 CD1 PHE A 20 -2.301 -4.692 -0.497 1.00 0.00 C ATOM 236 CD2 PHE A 20 -1.026 -5.447 1.334 1.00 0.00 C ATOM 237 CE1 PHE A 20 -1.122 -4.198 -1.115 1.00 0.00 C ATOM 238 CE2 PHE A 20 0.153 -4.953 0.716 1.00 0.00 C ATOM 239 CZ PHE A 20 0.080 -4.339 -0.495 1.00 0.00 C ATOM 0 H PHE A 20 -2.127 -8.188 0.983 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.990 -7.415 1.132 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.299 -5.110 1.246 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.325 -5.926 2.452 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.256 -4.580 -0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.968 -5.935 2.296 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.180 -3.711 -2.077 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.108 -5.065 1.208 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.977 -3.963 -0.965 1.00 0.00 H new ATOM 249 N ARG A 21 -5.044 -6.871 -1.291 1.00 0.00 N ATOM 250 CA ARG A 21 -5.132 -6.811 -2.740 1.00 0.00 C ATOM 251 C ARG A 21 -5.225 -5.357 -3.207 1.00 0.00 C ATOM 252 O ARG A 21 -5.168 -4.436 -2.394 1.00 0.00 O ATOM 253 CB ARG A 21 -6.351 -7.582 -3.251 1.00 0.00 C ATOM 254 CG ARG A 21 -6.037 -9.073 -3.393 1.00 0.00 C ATOM 255 CD ARG A 21 -7.174 -9.808 -4.105 1.00 0.00 C ATOM 256 NE ARG A 21 -6.654 -10.511 -5.299 1.00 0.00 N ATOM 257 CZ ARG A 21 -6.499 -9.937 -6.500 1.00 0.00 C ATOM 258 NH1 ARG A 21 -6.824 -8.649 -6.675 1.00 0.00 N ATOM 259 NH2 ARG A 21 -6.020 -10.652 -7.527 1.00 0.00 N ATOM 0 H ARG A 21 -5.916 -6.670 -0.802 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.230 -7.270 -3.145 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.186 -7.446 -2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.663 -7.179 -4.215 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.110 -9.201 -3.952 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.878 -9.510 -2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.638 -10.523 -3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.948 -9.099 -4.399 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.398 -11.493 -5.202 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.190 -8.105 -5.894 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.706 -8.213 -7.589 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.773 -11.633 -7.395 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.902 -10.215 -8.441 1.00 0.00 H new ATOM 273 N ILE A 22 -5.368 -5.196 -4.514 1.00 0.00 N ATOM 274 CA ILE A 22 -5.469 -3.870 -5.099 1.00 0.00 C ATOM 275 C ILE A 22 -6.342 -3.936 -6.354 1.00 0.00 C ATOM 276 O ILE A 22 -6.736 -5.019 -6.784 1.00 0.00 O ATOM 277 CB ILE A 22 -4.077 -3.286 -5.348 1.00 0.00 C ATOM 278 CG1 ILE A 22 -3.264 -4.185 -6.281 1.00 0.00 C ATOM 279 CG2 ILE A 22 -3.349 -3.023 -4.028 1.00 0.00 C ATOM 280 CD1 ILE A 22 -2.127 -3.404 -6.941 1.00 0.00 C ATOM 0 H ILE A 22 -5.416 -5.963 -5.185 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.957 -3.185 -4.406 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.194 -2.325 -5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.855 -5.024 -5.718 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.916 -4.603 -7.048 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.362 -2.608 -4.233 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.923 -2.315 -3.431 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.242 -3.958 -3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.565 -4.066 -7.599 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.541 -2.580 -7.523 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.464 -3.008 -6.172 1.00 0.00 H new ATOM 292 N SER A 23 -6.618 -2.763 -6.906 1.00 0.00 N ATOM 293 CA SER A 23 -7.437 -2.674 -8.103 1.00 0.00 C ATOM 294 C SER A 23 -7.037 -1.444 -8.920 1.00 0.00 C ATOM 295 O SER A 23 -6.180 -0.668 -8.501 1.00 0.00 O ATOM 296 CB SER A 23 -8.925 -2.617 -7.750 1.00 0.00 C ATOM 297 OG SER A 23 -9.704 -3.472 -8.582 1.00 0.00 O ATOM 0 H SER A 23 -6.289 -1.867 -6.546 1.00 0.00 H new ATOM 0 HA SER A 23 -7.268 -3.570 -8.701 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.061 -2.903 -6.707 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.282 -1.592 -7.848 1.00 0.00 H new ATOM 0 HG SER A 23 -10.647 -3.409 -8.324 1.00 0.00 H new ATOM 303 N GLY A 24 -7.678 -1.304 -10.071 1.00 0.00 N ATOM 304 CA GLY A 24 -7.400 -0.181 -10.950 1.00 0.00 C ATOM 305 C GLY A 24 -5.947 -0.206 -11.429 1.00 0.00 C ATOM 306 O GLY A 24 -5.406 -1.269 -11.728 1.00 0.00 O ATOM 0 H GLY A 24 -8.389 -1.949 -10.415 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.070 -0.212 -11.809 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.598 0.754 -10.425 1.00 0.00 H new ATOM 310 N GLY A 25 -5.356 0.979 -11.485 1.00 0.00 N ATOM 311 CA GLY A 25 -3.976 1.107 -11.922 1.00 0.00 C ATOM 312 C GLY A 25 -3.883 1.926 -13.211 1.00 0.00 C ATOM 313 O GLY A 25 -4.880 2.476 -13.675 1.00 0.00 O ATOM 0 H GLY A 25 -5.808 1.859 -11.235 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.386 1.585 -11.140 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.549 0.117 -12.084 1.00 0.00 H new ATOM 317 N ARG A 26 -2.675 1.982 -13.752 1.00 0.00 N ATOM 318 CA ARG A 26 -2.438 2.726 -14.978 1.00 0.00 C ATOM 319 C ARG A 26 -3.146 2.050 -16.154 1.00 0.00 C ATOM 320 O ARG A 26 -3.630 2.725 -17.062 1.00 0.00 O ATOM 321 CB ARG A 26 -0.941 2.825 -15.281 1.00 0.00 C ATOM 322 CG ARG A 26 -0.692 3.648 -16.547 1.00 0.00 C ATOM 323 CD ARG A 26 -1.100 5.108 -16.340 1.00 0.00 C ATOM 324 NE ARG A 26 -2.124 5.494 -17.337 1.00 0.00 N ATOM 325 CZ ARG A 26 -2.841 6.624 -17.279 1.00 0.00 C ATOM 326 NH1 ARG A 26 -2.650 7.488 -16.272 1.00 0.00 N ATOM 327 NH2 ARG A 26 -3.748 6.892 -18.229 1.00 0.00 N ATOM 0 H ARG A 26 -1.850 1.525 -13.364 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.836 3.731 -14.839 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.425 3.283 -14.437 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.524 1.825 -15.405 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.363 3.596 -16.817 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.255 3.223 -17.378 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.492 5.245 -15.332 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.228 5.755 -16.434 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.294 4.860 -18.117 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.959 7.285 -15.550 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.196 8.348 -16.228 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.892 6.235 -18.996 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.294 7.752 -18.185 1.00 0.00 H new ATOM 341 N ASP A 27 -3.185 0.727 -16.098 1.00 0.00 N ATOM 342 CA ASP A 27 -3.827 -0.047 -17.148 1.00 0.00 C ATOM 343 C ASP A 27 -5.297 0.362 -17.251 1.00 0.00 C ATOM 344 O ASP A 27 -5.772 0.717 -18.329 1.00 0.00 O ATOM 345 CB ASP A 27 -3.773 -1.544 -16.838 1.00 0.00 C ATOM 346 CG ASP A 27 -3.994 -1.909 -15.369 1.00 0.00 C ATOM 347 OD1 ASP A 27 -4.388 -0.997 -14.611 1.00 0.00 O ATOM 348 OD2 ASP A 27 -3.763 -3.092 -15.037 1.00 0.00 O ATOM 0 H ASP A 27 -2.783 0.171 -15.343 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.300 0.148 -18.082 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.527 -2.052 -17.440 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.803 -1.930 -17.150 1.00 0.00 H new ATOM 353 N PHE A 28 -5.977 0.299 -16.116 1.00 0.00 N ATOM 354 CA PHE A 28 -7.384 0.658 -16.065 1.00 0.00 C ATOM 355 C PHE A 28 -7.559 2.174 -15.952 1.00 0.00 C ATOM 356 O PHE A 28 -8.670 2.661 -15.746 1.00 0.00 O ATOM 357 CB PHE A 28 -7.971 -0.005 -14.817 1.00 0.00 C ATOM 358 CG PHE A 28 -8.037 -1.532 -14.896 1.00 0.00 C ATOM 359 CD1 PHE A 28 -9.026 -2.133 -15.610 1.00 0.00 C ATOM 360 CD2 PHE A 28 -7.106 -2.287 -14.253 1.00 0.00 C ATOM 361 CE1 PHE A 28 -9.087 -3.550 -15.684 1.00 0.00 C ATOM 362 CE2 PHE A 28 -7.167 -3.703 -14.327 1.00 0.00 C ATOM 363 CZ PHE A 28 -8.156 -4.305 -15.041 1.00 0.00 C ATOM 0 H PHE A 28 -5.580 0.005 -15.224 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.885 0.327 -16.975 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.372 0.278 -13.952 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.976 0.384 -14.650 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -9.765 -1.533 -16.121 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.321 -1.809 -13.686 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.872 -4.028 -16.251 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.428 -4.303 -13.816 1.00 0.00 H new ATOM 0 HZ PHE A 28 -8.202 -5.383 -15.097 1.00 0.00 H new ATOM 373 N HIS A 29 -6.446 2.878 -16.093 1.00 0.00 N ATOM 374 CA HIS A 29 -6.462 4.329 -16.009 1.00 0.00 C ATOM 375 C HIS A 29 -7.102 4.760 -14.688 1.00 0.00 C ATOM 376 O HIS A 29 -7.738 5.810 -14.616 1.00 0.00 O ATOM 377 CB HIS A 29 -7.156 4.935 -17.230 1.00 0.00 C ATOM 378 CG HIS A 29 -6.347 4.851 -18.502 1.00 0.00 C ATOM 379 ND1 HIS A 29 -5.552 3.855 -18.989 1.00 0.00 N flip ATOM 380 CD2 HIS A 29 -6.301 5.877 -19.430 1.00 0.00 C flip ATOM 381 CE1 HIS A 29 -5.050 4.250 -20.152 1.00 0.00 C flip ATOM 382 NE2 HIS A 29 -5.512 5.503 -20.427 1.00 0.00 N flip ATOM 0 H HIS A 29 -5.527 2.471 -16.265 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.440 4.709 -16.018 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.108 4.427 -17.383 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.382 5.981 -17.024 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -5.374 2.959 -18.536 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.820 6.821 -19.354 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.385 3.674 -20.778 1.00 0.00 H new ATOM 390 N THR A 30 -6.911 3.927 -13.676 1.00 0.00 N ATOM 391 CA THR A 30 -7.461 4.208 -12.361 1.00 0.00 C ATOM 392 C THR A 30 -6.369 4.115 -11.294 1.00 0.00 C ATOM 393 O THR A 30 -5.340 3.475 -11.508 1.00 0.00 O ATOM 394 CB THR A 30 -8.628 3.248 -12.121 1.00 0.00 C ATOM 395 OG1 THR A 30 -8.186 2.017 -12.686 1.00 0.00 O ATOM 396 CG2 THR A 30 -9.865 3.613 -12.945 1.00 0.00 C ATOM 0 H THR A 30 -6.383 3.057 -13.740 1.00 0.00 H new ATOM 0 HA THR A 30 -7.842 5.227 -12.302 1.00 0.00 H new ATOM 0 HB THR A 30 -8.885 3.246 -11.062 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.941 1.395 -12.747 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.664 2.901 -12.738 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.196 4.617 -12.679 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.618 3.582 -14.006 1.00 0.00 H new ATOM 404 N PRO A 31 -6.636 4.779 -10.138 1.00 0.00 N ATOM 405 CA PRO A 31 -5.688 4.777 -9.037 1.00 0.00 C ATOM 406 C PRO A 31 -5.698 3.432 -8.307 1.00 0.00 C ATOM 407 O PRO A 31 -6.745 2.799 -8.179 1.00 0.00 O ATOM 408 CB PRO A 31 -6.112 5.937 -8.150 1.00 0.00 C ATOM 409 CG PRO A 31 -7.547 6.254 -8.536 1.00 0.00 C ATOM 410 CD PRO A 31 -7.844 5.547 -9.849 1.00 0.00 C ATOM 0 HA PRO A 31 -4.658 4.903 -9.369 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.041 5.669 -7.096 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.466 6.802 -8.303 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.234 5.920 -7.759 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.685 7.330 -8.642 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.715 4.897 -9.761 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.059 6.261 -10.644 1.00 0.00 H new ATOM 418 N ILE A 32 -4.520 3.036 -7.847 1.00 0.00 N ATOM 419 CA ILE A 32 -4.380 1.778 -7.134 1.00 0.00 C ATOM 420 C ILE A 32 -5.139 1.861 -5.808 1.00 0.00 C ATOM 421 O ILE A 32 -4.732 2.585 -4.900 1.00 0.00 O ATOM 422 CB ILE A 32 -2.903 1.414 -6.975 1.00 0.00 C ATOM 423 CG1 ILE A 32 -2.211 1.320 -8.336 1.00 0.00 C ATOM 424 CG2 ILE A 32 -2.739 0.130 -6.159 1.00 0.00 C ATOM 425 CD1 ILE A 32 -2.251 -0.112 -8.874 1.00 0.00 C ATOM 0 H ILE A 32 -3.654 3.564 -7.954 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.825 0.964 -7.706 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.413 2.214 -6.419 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.698 1.992 -9.043 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.176 1.649 -8.245 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.679 -0.106 -6.061 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.173 0.270 -5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.248 -0.690 -6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.752 -0.151 -9.842 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.742 -0.777 -8.177 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.288 -0.430 -8.987 1.00 0.00 H new ATOM 437 N ILE A 33 -6.229 1.111 -5.739 1.00 0.00 N ATOM 438 CA ILE A 33 -7.049 1.091 -4.539 1.00 0.00 C ATOM 439 C ILE A 33 -7.050 -0.321 -3.951 1.00 0.00 C ATOM 440 O ILE A 33 -6.947 -1.303 -4.684 1.00 0.00 O ATOM 441 CB ILE A 33 -8.448 1.634 -4.837 1.00 0.00 C ATOM 442 CG1 ILE A 33 -8.411 3.146 -5.070 1.00 0.00 C ATOM 443 CG2 ILE A 33 -9.432 1.249 -3.731 1.00 0.00 C ATOM 444 CD1 ILE A 33 -9.322 3.544 -6.233 1.00 0.00 C ATOM 0 H ILE A 33 -6.564 0.513 -6.494 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.630 1.752 -3.780 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.804 1.175 -5.759 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.724 3.665 -4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.389 3.460 -5.280 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.419 1.647 -3.967 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.487 0.163 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.092 1.662 -2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.277 4.623 -6.377 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.991 3.042 -7.142 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.347 3.250 -6.009 1.00 0.00 H new ATOM 456 N VAL A 34 -7.167 -0.378 -2.632 1.00 0.00 N ATOM 457 CA VAL A 34 -7.183 -1.654 -1.937 1.00 0.00 C ATOM 458 C VAL A 34 -8.597 -2.238 -1.983 1.00 0.00 C ATOM 459 O VAL A 34 -9.558 -1.577 -1.591 1.00 0.00 O ATOM 460 CB VAL A 34 -6.654 -1.480 -0.512 1.00 0.00 C ATOM 461 CG1 VAL A 34 -6.806 -2.774 0.291 1.00 0.00 C ATOM 462 CG2 VAL A 34 -5.199 -1.008 -0.522 1.00 0.00 C ATOM 0 H VAL A 34 -7.252 0.439 -2.027 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.521 -2.366 -2.431 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.252 -0.711 -0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.422 -2.623 1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.859 -3.050 0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.245 -3.572 -0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.847 -0.892 0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.581 -1.744 -1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.130 -0.051 -1.040 1.00 0.00 H new ATOM 472 N THR A 35 -8.679 -3.469 -2.464 1.00 0.00 N ATOM 473 CA THR A 35 -9.960 -4.149 -2.566 1.00 0.00 C ATOM 474 C THR A 35 -10.312 -4.823 -1.239 1.00 0.00 C ATOM 475 O THR A 35 -11.382 -4.584 -0.682 1.00 0.00 O ATOM 476 CB THR A 35 -9.885 -5.124 -3.743 1.00 0.00 C ATOM 477 OG1 THR A 35 -9.004 -6.148 -3.289 1.00 0.00 O ATOM 478 CG2 THR A 35 -9.167 -4.526 -4.955 1.00 0.00 C ATOM 0 H THR A 35 -7.880 -4.014 -2.788 1.00 0.00 H new ATOM 0 HA THR A 35 -10.768 -3.444 -2.761 1.00 0.00 H new ATOM 0 HB THR A 35 -10.893 -5.424 -4.030 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.900 -6.824 -3.990 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.142 -5.259 -5.761 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.699 -3.636 -5.291 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.148 -4.256 -4.678 1.00 0.00 H new ATOM 486 N LYS A 36 -9.392 -5.654 -0.771 1.00 0.00 N ATOM 487 CA LYS A 36 -9.592 -6.365 0.480 1.00 0.00 C ATOM 488 C LYS A 36 -8.232 -6.669 1.112 1.00 0.00 C ATOM 489 O LYS A 36 -7.241 -6.846 0.406 1.00 0.00 O ATOM 490 CB LYS A 36 -10.458 -7.606 0.258 1.00 0.00 C ATOM 491 CG LYS A 36 -11.577 -7.687 1.298 1.00 0.00 C ATOM 492 CD LYS A 36 -11.888 -9.142 1.656 1.00 0.00 C ATOM 493 CE LYS A 36 -12.609 -9.848 0.506 1.00 0.00 C ATOM 494 NZ LYS A 36 -11.814 -11.001 0.027 1.00 0.00 N ATOM 0 H LYS A 36 -8.506 -5.851 -1.236 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.141 -5.744 1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.888 -7.579 -0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.838 -8.501 0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.284 -7.142 2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.474 -7.204 0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.962 -9.669 1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.507 -9.175 2.553 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.590 -10.188 0.838 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.774 -9.147 -0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.317 -11.469 -0.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.887 -10.668 -0.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.678 -11.677 0.806 1.00 0.00 H new ATOM 508 N VAL A 37 -8.229 -6.720 2.436 1.00 0.00 N ATOM 509 CA VAL A 37 -7.007 -6.999 3.171 1.00 0.00 C ATOM 510 C VAL A 37 -7.341 -7.839 4.406 1.00 0.00 C ATOM 511 O VAL A 37 -8.295 -7.543 5.124 1.00 0.00 O ATOM 512 CB VAL A 37 -6.292 -5.691 3.514 1.00 0.00 C ATOM 513 CG1 VAL A 37 -7.296 -4.554 3.716 1.00 0.00 C ATOM 514 CG2 VAL A 37 -5.400 -5.860 4.746 1.00 0.00 C ATOM 0 H VAL A 37 -9.053 -6.573 3.019 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.317 -7.580 2.559 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.653 -5.428 2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.762 -3.636 3.959 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.870 -4.409 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.973 -4.807 4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.903 -4.915 4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.010 -6.159 5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.650 -6.627 4.550 1.00 0.00 H new ATOM 524 N THR A 38 -6.537 -8.871 4.615 1.00 0.00 N ATOM 525 CA THR A 38 -6.734 -9.756 5.751 1.00 0.00 C ATOM 526 C THR A 38 -6.656 -8.969 7.060 1.00 0.00 C ATOM 527 O THR A 38 -5.762 -8.142 7.239 1.00 0.00 O ATOM 528 CB THR A 38 -5.704 -10.883 5.657 1.00 0.00 C ATOM 529 OG1 THR A 38 -6.374 -11.905 4.923 1.00 0.00 O ATOM 530 CG2 THR A 38 -5.415 -11.527 7.014 1.00 0.00 C ATOM 0 H THR A 38 -5.747 -9.114 4.017 1.00 0.00 H new ATOM 0 HA THR A 38 -7.728 -10.203 5.736 1.00 0.00 H new ATOM 0 HB THR A 38 -4.777 -10.493 5.236 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.777 -12.674 4.814 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.678 -12.320 6.891 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.026 -10.774 7.699 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.335 -11.947 7.421 1.00 0.00 H new ATOM 538 N GLU A 39 -7.603 -9.253 7.942 1.00 0.00 N ATOM 539 CA GLU A 39 -7.652 -8.582 9.230 1.00 0.00 C ATOM 540 C GLU A 39 -6.686 -9.247 10.212 1.00 0.00 C ATOM 541 O GLU A 39 -6.474 -10.458 10.157 1.00 0.00 O ATOM 542 CB GLU A 39 -9.077 -8.568 9.787 1.00 0.00 C ATOM 543 CG GLU A 39 -9.095 -8.078 11.236 1.00 0.00 C ATOM 544 CD GLU A 39 -10.517 -8.080 11.799 1.00 0.00 C ATOM 545 OE1 GLU A 39 -11.446 -7.845 10.996 1.00 0.00 O ATOM 546 OE2 GLU A 39 -10.645 -8.318 13.019 1.00 0.00 O ATOM 0 H GLU A 39 -8.343 -9.939 7.790 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.342 -7.547 9.090 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.705 -7.922 9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.502 -9.570 9.733 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.457 -8.717 11.847 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.681 -7.071 11.288 1.00 0.00 H new ATOM 553 N ARG A 40 -6.125 -8.427 11.089 1.00 0.00 N ATOM 554 CA ARG A 40 -5.186 -8.921 12.082 1.00 0.00 C ATOM 555 C ARG A 40 -4.055 -9.695 11.403 1.00 0.00 C ATOM 556 O ARG A 40 -3.638 -10.746 11.889 1.00 0.00 O ATOM 557 CB ARG A 40 -5.884 -9.832 13.094 1.00 0.00 C ATOM 558 CG ARG A 40 -6.843 -9.034 13.980 1.00 0.00 C ATOM 559 CD ARG A 40 -6.196 -8.697 15.325 1.00 0.00 C ATOM 560 NE ARG A 40 -5.536 -7.374 15.252 1.00 0.00 N ATOM 561 CZ ARG A 40 -4.989 -6.749 16.303 1.00 0.00 C ATOM 562 NH1 ARG A 40 -5.018 -7.323 17.513 1.00 0.00 N ATOM 563 NH2 ARG A 40 -4.411 -5.550 16.143 1.00 0.00 N ATOM 0 H ARG A 40 -6.303 -7.424 11.132 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.776 -8.060 12.609 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.434 -10.612 12.568 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.139 -10.330 13.715 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.133 -8.115 13.472 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.755 -9.608 14.145 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.952 -8.693 16.110 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.466 -9.463 15.589 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.495 -6.909 14.345 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.457 -8.236 17.634 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.601 -6.847 18.313 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.388 -5.114 15.221 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.994 -5.074 16.943 1.00 0.00 H new ATOM 577 N GLY A 41 -3.589 -9.147 10.291 1.00 0.00 N ATOM 578 CA GLY A 41 -2.514 -9.774 9.541 1.00 0.00 C ATOM 579 C GLY A 41 -1.289 -8.860 9.471 1.00 0.00 C ATOM 580 O GLY A 41 -0.962 -8.178 10.441 1.00 0.00 O ATOM 0 H GLY A 41 -3.936 -8.275 9.891 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.241 -10.719 10.011 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.857 -10.007 8.533 1.00 0.00 H new ATOM 584 N LYS A 42 -0.644 -8.875 8.313 1.00 0.00 N ATOM 585 CA LYS A 42 0.538 -8.056 8.104 1.00 0.00 C ATOM 586 C LYS A 42 0.110 -6.648 7.687 1.00 0.00 C ATOM 587 O LYS A 42 0.606 -5.659 8.226 1.00 0.00 O ATOM 588 CB LYS A 42 1.487 -8.729 7.111 1.00 0.00 C ATOM 589 CG LYS A 42 1.826 -10.154 7.555 1.00 0.00 C ATOM 590 CD LYS A 42 3.315 -10.449 7.364 1.00 0.00 C ATOM 591 CE LYS A 42 3.542 -11.923 7.024 1.00 0.00 C ATOM 592 NZ LYS A 42 3.161 -12.783 8.167 1.00 0.00 N ATOM 0 H LYS A 42 -0.918 -9.441 7.510 1.00 0.00 H new ATOM 0 HA LYS A 42 1.102 -7.957 9.032 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.028 -8.752 6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.403 -8.144 7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.557 -10.286 8.603 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.234 -10.868 6.982 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.714 -9.822 6.566 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.860 -10.194 8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.956 -12.194 6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.590 -12.087 6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.400 -13.772 7.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.677 -12.479 9.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.138 -12.703 8.336 1.00 0.00 H new ATOM 606 N ALA A 43 -0.807 -6.601 6.732 1.00 0.00 N ATOM 607 CA ALA A 43 -1.308 -5.330 6.237 1.00 0.00 C ATOM 608 C ALA A 43 -2.046 -4.604 7.363 1.00 0.00 C ATOM 609 O ALA A 43 -1.561 -3.600 7.882 1.00 0.00 O ATOM 610 CB ALA A 43 -2.198 -5.572 5.017 1.00 0.00 C ATOM 0 H ALA A 43 -1.216 -7.423 6.288 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.485 -4.691 5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.574 -4.618 4.646 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.618 -6.063 4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.037 -6.208 5.299 1.00 0.00 H new ATOM 616 N GLU A 44 -3.208 -5.140 7.707 1.00 0.00 N ATOM 617 CA GLU A 44 -4.018 -4.556 8.762 1.00 0.00 C ATOM 618 C GLU A 44 -3.131 -4.102 9.924 1.00 0.00 C ATOM 619 O GLU A 44 -3.227 -2.962 10.374 1.00 0.00 O ATOM 620 CB GLU A 44 -5.088 -5.540 9.241 1.00 0.00 C ATOM 621 CG GLU A 44 -6.311 -4.799 9.785 1.00 0.00 C ATOM 622 CD GLU A 44 -6.407 -4.942 11.305 1.00 0.00 C ATOM 623 OE1 GLU A 44 -5.337 -5.113 11.928 1.00 0.00 O ATOM 624 OE2 GLU A 44 -7.549 -4.878 11.810 1.00 0.00 O ATOM 0 H GLU A 44 -3.608 -5.972 7.274 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.529 -3.682 8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.387 -6.187 8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.674 -6.184 10.017 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.250 -3.744 9.519 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.215 -5.193 9.321 1.00 0.00 H new ATOM 631 N ALA A 45 -2.288 -5.019 10.375 1.00 0.00 N ATOM 632 CA ALA A 45 -1.384 -4.727 11.475 1.00 0.00 C ATOM 633 C ALA A 45 -0.772 -3.340 11.272 1.00 0.00 C ATOM 634 O ALA A 45 -0.729 -2.534 12.201 1.00 0.00 O ATOM 635 CB ALA A 45 -0.323 -5.825 11.569 1.00 0.00 C ATOM 0 H ALA A 45 -2.212 -5.964 9.999 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.923 -4.713 12.422 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.355 -5.606 12.394 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.808 -6.786 11.743 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.241 -5.867 10.637 1.00 0.00 H new ATOM 641 N ALA A 46 -0.312 -3.104 10.052 1.00 0.00 N ATOM 642 CA ALA A 46 0.296 -1.828 9.716 1.00 0.00 C ATOM 643 C ALA A 46 -0.762 -0.726 9.798 1.00 0.00 C ATOM 644 O ALA A 46 -1.032 -0.199 10.876 1.00 0.00 O ATOM 645 CB ALA A 46 0.938 -1.918 8.330 1.00 0.00 C ATOM 0 H ALA A 46 -0.348 -3.775 9.284 1.00 0.00 H new ATOM 0 HA ALA A 46 1.085 -1.580 10.426 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.394 -0.961 8.078 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.703 -2.695 8.333 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.175 -2.162 7.591 1.00 0.00 H new ATOM 651 N ASP A 47 -1.332 -0.409 8.644 1.00 0.00 N ATOM 652 CA ASP A 47 -2.354 0.620 8.572 1.00 0.00 C ATOM 653 C ASP A 47 -2.954 0.640 7.165 1.00 0.00 C ATOM 654 O ASP A 47 -3.298 1.702 6.648 1.00 0.00 O ATOM 655 CB ASP A 47 -1.764 2.003 8.854 1.00 0.00 C ATOM 656 CG ASP A 47 -1.600 2.347 10.335 1.00 0.00 C ATOM 657 OD1 ASP A 47 -2.627 2.298 11.046 1.00 0.00 O ATOM 658 OD2 ASP A 47 -0.451 2.651 10.724 1.00 0.00 O ATOM 0 H ASP A 47 -1.105 -0.847 7.752 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.114 0.393 9.320 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.789 2.071 8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.403 2.755 8.391 1.00 0.00 H new ATOM 663 N LEU A 48 -3.061 -0.547 6.585 1.00 0.00 N ATOM 664 CA LEU A 48 -3.613 -0.679 5.248 1.00 0.00 C ATOM 665 C LEU A 48 -5.078 -1.108 5.346 1.00 0.00 C ATOM 666 O LEU A 48 -5.456 -1.835 6.263 1.00 0.00 O ATOM 667 CB LEU A 48 -2.752 -1.621 4.403 1.00 0.00 C ATOM 668 CG LEU A 48 -2.964 -1.547 2.890 1.00 0.00 C ATOM 669 CD1 LEU A 48 -2.657 -0.145 2.361 1.00 0.00 C ATOM 670 CD2 LEU A 48 -2.148 -2.623 2.169 1.00 0.00 C ATOM 0 H LEU A 48 -2.775 -1.426 7.017 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.595 0.281 4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.704 -1.410 4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.943 -2.644 4.727 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.015 -1.746 2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.816 -0.120 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.316 0.578 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.620 0.108 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.317 -2.549 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.089 -2.479 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.457 -3.608 2.517 1.00 0.00 H new ATOM 682 N ARG A 49 -5.864 -0.639 4.388 1.00 0.00 N ATOM 683 CA ARG A 49 -7.280 -0.965 4.355 1.00 0.00 C ATOM 684 C ARG A 49 -7.816 -0.857 2.926 1.00 0.00 C ATOM 685 O ARG A 49 -7.239 -0.159 2.094 1.00 0.00 O ATOM 686 CB ARG A 49 -8.081 -0.033 5.266 1.00 0.00 C ATOM 687 CG ARG A 49 -8.442 -0.727 6.580 1.00 0.00 C ATOM 688 CD ARG A 49 -8.058 0.140 7.781 1.00 0.00 C ATOM 689 NE ARG A 49 -8.403 -0.558 9.040 1.00 0.00 N ATOM 690 CZ ARG A 49 -8.001 -0.159 10.254 1.00 0.00 C ATOM 691 NH1 ARG A 49 -7.237 0.935 10.382 1.00 0.00 N ATOM 692 NH2 ARG A 49 -8.362 -0.854 11.342 1.00 0.00 N ATOM 0 H ARG A 49 -5.547 -0.036 3.629 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.394 -1.988 4.712 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.500 0.866 5.473 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.991 0.285 4.757 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.512 -0.935 6.604 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.930 -1.687 6.641 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.990 0.357 7.757 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.579 1.096 7.731 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.983 -1.395 8.979 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.961 1.464 9.555 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.931 1.238 11.307 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.943 -1.687 11.246 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.056 -0.550 12.266 1.00 0.00 H new ATOM 706 N PRO A 50 -8.944 -1.576 2.679 1.00 0.00 N ATOM 707 CA PRO A 50 -9.565 -1.567 1.366 1.00 0.00 C ATOM 708 C PRO A 50 -10.308 -0.252 1.119 1.00 0.00 C ATOM 709 O PRO A 50 -11.194 0.118 1.888 1.00 0.00 O ATOM 710 CB PRO A 50 -10.483 -2.778 1.356 1.00 0.00 C ATOM 711 CG PRO A 50 -10.695 -3.152 2.814 1.00 0.00 C ATOM 712 CD PRO A 50 -9.656 -2.413 3.641 1.00 0.00 C ATOM 0 HA PRO A 50 -8.837 -1.629 0.557 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.431 -2.546 0.871 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.035 -3.603 0.802 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.701 -2.882 3.135 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.596 -4.229 2.950 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.125 -1.811 4.419 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.979 -3.107 4.139 1.00 0.00 H new ATOM 720 N GLY A 51 -9.919 0.418 0.045 1.00 0.00 N ATOM 721 CA GLY A 51 -10.537 1.684 -0.313 1.00 0.00 C ATOM 722 C GLY A 51 -9.501 2.810 -0.344 1.00 0.00 C ATOM 723 O GLY A 51 -9.771 3.892 -0.864 1.00 0.00 O ATOM 0 H GLY A 51 -9.183 0.108 -0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.014 1.597 -1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.321 1.926 0.404 1.00 0.00 H new ATOM 727 N ASP A 52 -8.338 2.517 0.220 1.00 0.00 N ATOM 728 CA ASP A 52 -7.261 3.491 0.263 1.00 0.00 C ATOM 729 C ASP A 52 -6.637 3.617 -1.127 1.00 0.00 C ATOM 730 O ASP A 52 -6.389 2.613 -1.793 1.00 0.00 O ATOM 731 CB ASP A 52 -6.164 3.057 1.237 1.00 0.00 C ATOM 732 CG ASP A 52 -6.576 3.043 2.711 1.00 0.00 C ATOM 733 OD1 ASP A 52 -7.519 2.287 3.029 1.00 0.00 O ATOM 734 OD2 ASP A 52 -5.938 3.788 3.485 1.00 0.00 O ATOM 0 H ASP A 52 -8.118 1.619 0.651 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.680 4.442 0.593 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.827 2.058 0.960 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.310 3.725 1.120 1.00 0.00 H new ATOM 739 N ILE A 53 -6.400 4.859 -1.525 1.00 0.00 N ATOM 740 CA ILE A 53 -5.808 5.128 -2.824 1.00 0.00 C ATOM 741 C ILE A 53 -4.288 5.218 -2.680 1.00 0.00 C ATOM 742 O ILE A 53 -3.774 6.147 -2.058 1.00 0.00 O ATOM 743 CB ILE A 53 -6.441 6.372 -3.453 1.00 0.00 C ATOM 744 CG1 ILE A 53 -7.898 6.110 -3.838 1.00 0.00 C ATOM 745 CG2 ILE A 53 -5.614 6.866 -4.642 1.00 0.00 C ATOM 746 CD1 ILE A 53 -8.623 7.418 -4.160 1.00 0.00 C ATOM 0 H ILE A 53 -6.607 5.690 -0.970 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.014 4.309 -3.513 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.443 7.168 -2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.936 5.447 -4.702 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.408 5.599 -3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.085 7.750 -5.071 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.608 7.118 -4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.559 6.082 -5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.657 7.204 -4.431 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.604 8.069 -3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.125 7.914 -4.993 1.00 0.00 H new ATOM 758 N ILE A 54 -3.611 4.241 -3.264 1.00 0.00 N ATOM 759 CA ILE A 54 -2.160 4.198 -3.208 1.00 0.00 C ATOM 760 C ILE A 54 -1.587 5.315 -4.083 1.00 0.00 C ATOM 761 O ILE A 54 -1.700 5.269 -5.307 1.00 0.00 O ATOM 762 CB ILE A 54 -1.650 2.804 -3.578 1.00 0.00 C ATOM 763 CG1 ILE A 54 -1.685 1.868 -2.368 1.00 0.00 C ATOM 764 CG2 ILE A 54 -0.257 2.878 -4.205 1.00 0.00 C ATOM 765 CD1 ILE A 54 -2.092 0.452 -2.781 1.00 0.00 C ATOM 0 H ILE A 54 -4.041 3.472 -3.779 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.813 4.379 -2.191 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.319 2.384 -4.329 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.704 1.844 -1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.388 2.251 -1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.082 1.873 -4.458 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.297 3.486 -5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.438 3.327 -3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.109 -0.193 -1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.084 0.476 -3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.374 0.063 -3.503 1.00 0.00 H new ATOM 777 N VAL A 55 -0.983 6.291 -3.420 1.00 0.00 N ATOM 778 CA VAL A 55 -0.392 7.417 -4.123 1.00 0.00 C ATOM 779 C VAL A 55 0.955 6.995 -4.713 1.00 0.00 C ATOM 780 O VAL A 55 1.234 7.256 -5.882 1.00 0.00 O ATOM 781 CB VAL A 55 -0.282 8.620 -3.183 1.00 0.00 C ATOM 782 CG1 VAL A 55 -0.378 9.934 -3.962 1.00 0.00 C ATOM 783 CG2 VAL A 55 -1.344 8.556 -2.084 1.00 0.00 C ATOM 0 H VAL A 55 -0.890 6.325 -2.405 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.028 7.726 -4.953 1.00 0.00 H new ATOM 0 HB VAL A 55 0.697 8.584 -2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.297 10.773 -3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.431 9.985 -4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.336 9.981 -4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.244 9.422 -1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.336 8.556 -2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.210 7.644 -1.502 1.00 0.00 H new ATOM 793 N ALA A 56 1.755 6.349 -3.877 1.00 0.00 N ATOM 794 CA ALA A 56 3.066 5.888 -4.301 1.00 0.00 C ATOM 795 C ALA A 56 3.324 4.495 -3.723 1.00 0.00 C ATOM 796 O ALA A 56 2.512 3.977 -2.958 1.00 0.00 O ATOM 797 CB ALA A 56 4.128 6.903 -3.872 1.00 0.00 C ATOM 0 H ALA A 56 1.520 6.134 -2.908 1.00 0.00 H new ATOM 0 HA ALA A 56 3.111 5.808 -5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.111 6.557 -4.190 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.916 7.868 -4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.114 7.008 -2.787 1.00 0.00 H new ATOM 803 N ILE A 57 4.457 3.929 -4.112 1.00 0.00 N ATOM 804 CA ILE A 57 4.831 2.606 -3.642 1.00 0.00 C ATOM 805 C ILE A 57 6.276 2.639 -3.138 1.00 0.00 C ATOM 806 O ILE A 57 7.215 2.615 -3.932 1.00 0.00 O ATOM 807 CB ILE A 57 4.583 1.560 -4.731 1.00 0.00 C ATOM 808 CG1 ILE A 57 3.087 1.398 -5.004 1.00 0.00 C ATOM 809 CG2 ILE A 57 5.248 0.229 -4.374 1.00 0.00 C ATOM 810 CD1 ILE A 57 2.836 0.322 -6.063 1.00 0.00 C ATOM 0 H ILE A 57 5.128 4.362 -4.747 1.00 0.00 H new ATOM 0 HA ILE A 57 4.205 2.310 -2.800 1.00 0.00 H new ATOM 0 HB ILE A 57 5.043 1.912 -5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.572 1.132 -4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.670 2.348 -5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.056 -0.497 -5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.323 0.376 -4.269 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.839 -0.142 -3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.764 0.227 -6.238 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.332 0.603 -6.992 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.233 -0.631 -5.714 1.00 0.00 H new ATOM 822 N ASN A 58 6.408 2.693 -1.821 1.00 0.00 N ATOM 823 CA ASN A 58 7.722 2.729 -1.202 1.00 0.00 C ATOM 824 C ASN A 58 8.379 4.081 -1.487 1.00 0.00 C ATOM 825 O ASN A 58 9.559 4.275 -1.201 1.00 0.00 O ATOM 826 CB ASN A 58 8.629 1.635 -1.769 1.00 0.00 C ATOM 827 CG ASN A 58 9.150 0.723 -0.657 1.00 0.00 C ATOM 828 OD1 ASN A 58 9.061 1.025 0.522 1.00 0.00 O ATOM 829 ND2 ASN A 58 9.698 -0.407 -1.096 1.00 0.00 N ATOM 0 H ASN A 58 5.627 2.713 -1.165 1.00 0.00 H new ATOM 0 HA ASN A 58 7.594 2.572 -0.131 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.078 1.044 -2.501 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.469 2.090 -2.294 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.076 -1.082 -0.432 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.740 -0.598 -2.097 1.00 0.00 H new ATOM 836 N GLY A 59 7.584 4.982 -2.046 1.00 0.00 N ATOM 837 CA GLY A 59 8.073 6.311 -2.373 1.00 0.00 C ATOM 838 C GLY A 59 8.023 6.558 -3.882 1.00 0.00 C ATOM 839 O GLY A 59 8.305 7.662 -4.344 1.00 0.00 O ATOM 0 H GLY A 59 6.605 4.818 -2.281 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.472 7.060 -1.858 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.097 6.424 -2.016 1.00 0.00 H new ATOM 843 N GLN A 60 7.662 5.511 -4.609 1.00 0.00 N ATOM 844 CA GLN A 60 7.572 5.600 -6.056 1.00 0.00 C ATOM 845 C GLN A 60 6.122 5.841 -6.484 1.00 0.00 C ATOM 846 O GLN A 60 5.247 5.021 -6.211 1.00 0.00 O ATOM 847 CB GLN A 60 8.137 4.343 -6.720 1.00 0.00 C ATOM 848 CG GLN A 60 7.821 4.323 -8.217 1.00 0.00 C ATOM 849 CD GLN A 60 9.105 4.336 -9.049 1.00 0.00 C ATOM 850 OE1 GLN A 60 9.685 3.308 -9.359 1.00 0.00 O ATOM 851 NE2 GLN A 60 9.516 5.554 -9.391 1.00 0.00 N ATOM 0 H GLN A 60 7.428 4.596 -4.223 1.00 0.00 H new ATOM 0 HA GLN A 60 8.174 6.447 -6.386 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.216 4.303 -6.572 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.717 3.457 -6.244 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.237 3.435 -8.457 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.208 5.187 -8.474 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.983 6.373 -9.098 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.364 5.669 -9.946 1.00 0.00 H new ATOM 860 N SER A 61 5.914 6.969 -7.146 1.00 0.00 N ATOM 861 CA SER A 61 4.586 7.328 -7.614 1.00 0.00 C ATOM 862 C SER A 61 3.855 6.083 -8.121 1.00 0.00 C ATOM 863 O SER A 61 4.480 5.162 -8.645 1.00 0.00 O ATOM 864 CB SER A 61 4.657 8.387 -8.716 1.00 0.00 C ATOM 865 OG SER A 61 5.700 8.117 -9.649 1.00 0.00 O ATOM 0 H SER A 61 6.643 7.647 -7.370 1.00 0.00 H new ATOM 0 HA SER A 61 4.032 7.751 -6.776 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.703 8.429 -9.241 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.817 9.367 -8.267 1.00 0.00 H new ATOM 0 HG SER A 61 5.712 8.814 -10.338 1.00 0.00 H new ATOM 871 N ALA A 62 2.542 6.094 -7.947 1.00 0.00 N ATOM 872 CA ALA A 62 1.720 4.977 -8.380 1.00 0.00 C ATOM 873 C ALA A 62 0.576 5.500 -9.253 1.00 0.00 C ATOM 874 O ALA A 62 -0.300 4.736 -9.656 1.00 0.00 O ATOM 875 CB ALA A 62 1.215 4.210 -7.156 1.00 0.00 C ATOM 0 H ALA A 62 2.027 6.859 -7.512 1.00 0.00 H new ATOM 0 HA ALA A 62 2.304 4.281 -8.983 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.598 3.372 -7.481 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.065 3.835 -6.585 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.622 4.875 -6.529 1.00 0.00 H new ATOM 881 N GLU A 63 0.622 6.797 -9.518 1.00 0.00 N ATOM 882 CA GLU A 63 -0.399 7.430 -10.335 1.00 0.00 C ATOM 883 C GLU A 63 -0.446 6.783 -11.721 1.00 0.00 C ATOM 884 O GLU A 63 -1.495 6.758 -12.362 1.00 0.00 O ATOM 885 CB GLU A 63 -0.160 8.937 -10.441 1.00 0.00 C ATOM 886 CG GLU A 63 -1.370 9.722 -9.929 1.00 0.00 C ATOM 887 CD GLU A 63 -1.718 10.872 -10.877 1.00 0.00 C ATOM 888 OE1 GLU A 63 -1.006 11.896 -10.812 1.00 0.00 O ATOM 889 OE2 GLU A 63 -2.689 10.699 -11.645 1.00 0.00 O ATOM 0 H GLU A 63 1.350 7.427 -9.181 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.366 7.282 -9.853 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.725 9.210 -9.866 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.039 9.205 -11.479 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.226 9.055 -9.831 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.158 10.116 -8.935 1.00 0.00 H new ATOM 896 N ASN A 64 0.703 6.277 -12.142 1.00 0.00 N ATOM 897 CA ASN A 64 0.807 5.632 -13.439 1.00 0.00 C ATOM 898 C ASN A 64 1.434 4.247 -13.268 1.00 0.00 C ATOM 899 O ASN A 64 2.430 3.928 -13.915 1.00 0.00 O ATOM 900 CB ASN A 64 1.696 6.439 -14.387 1.00 0.00 C ATOM 901 CG ASN A 64 3.073 6.687 -13.768 1.00 0.00 C ATOM 902 OD1 ASN A 64 3.208 7.241 -12.690 1.00 0.00 O ATOM 903 ND2 ASN A 64 4.086 6.246 -14.509 1.00 0.00 N ATOM 0 H ASN A 64 1.571 6.301 -11.607 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.196 5.560 -13.859 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.808 5.904 -15.330 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.219 7.392 -14.616 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.045 6.364 -14.183 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.903 5.790 -15.403 1.00 0.00 H new ATOM 910 N MET A 65 0.825 3.461 -12.392 1.00 0.00 N ATOM 911 CA MET A 65 1.311 2.118 -12.127 1.00 0.00 C ATOM 912 C MET A 65 0.298 1.067 -12.587 1.00 0.00 C ATOM 913 O MET A 65 -0.820 1.014 -12.078 1.00 0.00 O ATOM 914 CB MET A 65 1.571 1.955 -10.628 1.00 0.00 C ATOM 915 CG MET A 65 3.037 2.231 -10.292 1.00 0.00 C ATOM 916 SD MET A 65 3.331 1.943 -8.555 1.00 0.00 S ATOM 917 CE MET A 65 5.018 2.512 -8.427 1.00 0.00 C ATOM 0 H MET A 65 -0.001 3.729 -11.857 1.00 0.00 H new ATOM 0 HA MET A 65 2.237 1.971 -12.683 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.931 2.637 -10.068 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.307 0.944 -10.318 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.683 1.588 -10.890 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.289 3.261 -10.546 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.683 1.656 -8.312 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.286 3.062 -9.329 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.117 3.166 -7.561 1.00 0.00 H new ATOM 927 N LEU A 66 0.727 0.258 -13.544 1.00 0.00 N ATOM 928 CA LEU A 66 -0.128 -0.788 -14.079 1.00 0.00 C ATOM 929 C LEU A 66 -0.439 -1.801 -12.974 1.00 0.00 C ATOM 930 O LEU A 66 0.361 -1.992 -12.060 1.00 0.00 O ATOM 931 CB LEU A 66 0.503 -1.412 -15.325 1.00 0.00 C ATOM 932 CG LEU A 66 1.021 -0.430 -16.377 1.00 0.00 C ATOM 933 CD1 LEU A 66 2.311 -0.944 -17.019 1.00 0.00 C ATOM 934 CD2 LEU A 66 -0.056 -0.125 -17.420 1.00 0.00 C ATOM 0 H LEU A 66 1.656 0.306 -13.963 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.080 -0.371 -14.408 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.331 -2.046 -15.010 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.235 -2.062 -15.795 1.00 0.00 H new ATOM 0 HG LEU A 66 1.261 0.509 -15.878 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.658 -0.227 -17.763 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.075 -1.069 -16.251 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.121 -1.903 -17.500 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.338 0.576 -18.156 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.351 -1.048 -17.919 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.924 0.315 -16.929 1.00 0.00 H new ATOM 946 N HIS A 67 -1.603 -2.422 -13.096 1.00 0.00 N ATOM 947 CA HIS A 67 -2.029 -3.410 -12.119 1.00 0.00 C ATOM 948 C HIS A 67 -0.925 -4.452 -11.928 1.00 0.00 C ATOM 949 O HIS A 67 -0.872 -5.123 -10.898 1.00 0.00 O ATOM 950 CB HIS A 67 -3.367 -4.032 -12.524 1.00 0.00 C ATOM 951 CG HIS A 67 -4.017 -4.853 -11.436 1.00 0.00 C ATOM 952 ND1 HIS A 67 -5.033 -4.364 -10.633 1.00 0.00 N ATOM 953 CD2 HIS A 67 -3.787 -6.134 -11.028 1.00 0.00 C ATOM 954 CE1 HIS A 67 -5.389 -5.315 -9.783 1.00 0.00 C ATOM 955 NE2 HIS A 67 -4.615 -6.411 -10.029 1.00 0.00 N ATOM 0 H HIS A 67 -2.264 -2.260 -13.856 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.195 -2.927 -11.156 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.050 -3.237 -12.822 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.212 -4.664 -13.399 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.055 -6.808 -11.447 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.157 -5.237 -9.028 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -4.665 -7.298 -9.527 1.00 0.00 H new ATOM 963 N ALA A 68 -0.072 -4.555 -12.936 1.00 0.00 N ATOM 964 CA ALA A 68 1.028 -5.504 -12.891 1.00 0.00 C ATOM 965 C ALA A 68 2.269 -4.813 -12.323 1.00 0.00 C ATOM 966 O ALA A 68 3.132 -5.464 -11.735 1.00 0.00 O ATOM 967 CB ALA A 68 1.267 -6.074 -14.291 1.00 0.00 C ATOM 0 H ALA A 68 -0.120 -3.997 -13.789 1.00 0.00 H new ATOM 0 HA ALA A 68 0.787 -6.340 -12.235 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.092 -6.786 -14.258 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.365 -6.579 -14.637 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.514 -5.263 -14.977 1.00 0.00 H new ATOM 973 N GLU A 69 2.320 -3.503 -12.519 1.00 0.00 N ATOM 974 CA GLU A 69 3.442 -2.717 -12.033 1.00 0.00 C ATOM 975 C GLU A 69 3.407 -2.631 -10.506 1.00 0.00 C ATOM 976 O GLU A 69 4.357 -3.033 -9.836 1.00 0.00 O ATOM 977 CB GLU A 69 3.446 -1.323 -12.661 1.00 0.00 C ATOM 978 CG GLU A 69 3.819 -1.390 -14.144 1.00 0.00 C ATOM 979 CD GLU A 69 5.257 -0.920 -14.370 1.00 0.00 C ATOM 980 OE1 GLU A 69 5.562 0.208 -13.926 1.00 0.00 O ATOM 981 OE2 GLU A 69 6.019 -1.699 -14.982 1.00 0.00 O ATOM 0 H GLU A 69 1.603 -2.967 -13.007 1.00 0.00 H new ATOM 0 HA GLU A 69 4.366 -3.215 -12.328 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.462 -0.868 -12.550 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.154 -0.684 -12.133 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.706 -2.412 -14.505 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.135 -0.770 -14.723 1.00 0.00 H new ATOM 988 N ALA A 70 2.302 -2.103 -10.000 1.00 0.00 N ATOM 989 CA ALA A 70 2.132 -1.958 -8.564 1.00 0.00 C ATOM 990 C ALA A 70 2.169 -3.340 -7.908 1.00 0.00 C ATOM 991 O ALA A 70 2.685 -3.492 -6.802 1.00 0.00 O ATOM 992 CB ALA A 70 0.827 -1.212 -8.278 1.00 0.00 C ATOM 0 H ALA A 70 1.516 -1.771 -10.558 1.00 0.00 H new ATOM 0 HA ALA A 70 2.945 -1.369 -8.139 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.699 -1.103 -7.201 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.863 -0.226 -8.741 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.011 -1.775 -8.688 1.00 0.00 H new ATOM 998 N GLN A 71 1.616 -4.312 -8.619 1.00 0.00 N ATOM 999 CA GLN A 71 1.580 -5.676 -8.120 1.00 0.00 C ATOM 1000 C GLN A 71 3.002 -6.213 -7.939 1.00 0.00 C ATOM 1001 O GLN A 71 3.343 -6.730 -6.876 1.00 0.00 O ATOM 1002 CB GLN A 71 0.768 -6.579 -9.050 1.00 0.00 C ATOM 1003 CG GLN A 71 -0.724 -6.507 -8.718 1.00 0.00 C ATOM 1004 CD GLN A 71 -1.041 -7.291 -7.443 1.00 0.00 C ATOM 1005 OE1 GLN A 71 -0.470 -7.069 -6.388 1.00 0.00 O ATOM 1006 NE2 GLN A 71 -1.981 -8.219 -7.599 1.00 0.00 N ATOM 0 H GLN A 71 1.189 -4.182 -9.536 1.00 0.00 H new ATOM 0 HA GLN A 71 1.087 -5.673 -7.148 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.929 -6.279 -10.086 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.115 -7.608 -8.958 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.022 -5.466 -8.593 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.305 -6.907 -9.549 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.419 -8.353 -8.510 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.264 -8.797 -6.807 1.00 0.00 H new ATOM 1015 N SER A 72 3.792 -6.071 -8.993 1.00 0.00 N ATOM 1016 CA SER A 72 5.169 -6.535 -8.963 1.00 0.00 C ATOM 1017 C SER A 72 5.976 -5.715 -7.955 1.00 0.00 C ATOM 1018 O SER A 72 6.582 -6.271 -7.041 1.00 0.00 O ATOM 1019 CB SER A 72 5.808 -6.450 -10.351 1.00 0.00 C ATOM 1020 OG SER A 72 7.128 -6.987 -10.364 1.00 0.00 O ATOM 0 H SER A 72 3.505 -5.642 -9.873 1.00 0.00 H new ATOM 0 HA SER A 72 5.172 -7.580 -8.655 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.190 -6.990 -11.069 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.837 -5.409 -10.674 1.00 0.00 H new ATOM 0 HG SER A 72 7.501 -6.916 -11.267 1.00 0.00 H new ATOM 1026 N LYS A 73 5.958 -4.405 -8.156 1.00 0.00 N ATOM 1027 CA LYS A 73 6.681 -3.503 -7.276 1.00 0.00 C ATOM 1028 C LYS A 73 6.402 -3.885 -5.821 1.00 0.00 C ATOM 1029 O LYS A 73 7.328 -4.157 -5.058 1.00 0.00 O ATOM 1030 CB LYS A 73 6.343 -2.048 -7.606 1.00 0.00 C ATOM 1031 CG LYS A 73 7.435 -1.414 -8.470 1.00 0.00 C ATOM 1032 CD LYS A 73 6.839 -0.781 -9.729 1.00 0.00 C ATOM 1033 CE LYS A 73 7.603 0.485 -10.121 1.00 0.00 C ATOM 1034 NZ LYS A 73 8.816 0.140 -10.895 1.00 0.00 N ATOM 0 H LYS A 73 5.454 -3.947 -8.915 1.00 0.00 H new ATOM 0 HA LYS A 73 7.756 -3.599 -7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.388 -2.002 -8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.228 -1.479 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.966 -0.656 -7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.167 -2.171 -8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.870 -1.497 -10.550 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.790 -0.538 -9.557 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.960 1.136 -10.713 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.882 1.041 -9.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.323 1.011 -11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.436 -0.463 -10.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.543 -0.370 -11.759 1.00 0.00 H new ATOM 1048 N ILE A 74 5.122 -3.894 -5.480 1.00 0.00 N ATOM 1049 CA ILE A 74 4.710 -4.238 -4.129 1.00 0.00 C ATOM 1050 C ILE A 74 5.375 -5.552 -3.717 1.00 0.00 C ATOM 1051 O ILE A 74 6.131 -5.592 -2.747 1.00 0.00 O ATOM 1052 CB ILE A 74 3.183 -4.262 -4.025 1.00 0.00 C ATOM 1053 CG1 ILE A 74 2.623 -2.848 -3.853 1.00 0.00 C ATOM 1054 CG2 ILE A 74 2.725 -5.200 -2.907 1.00 0.00 C ATOM 1055 CD1 ILE A 74 1.180 -2.766 -4.354 1.00 0.00 C ATOM 0 H ILE A 74 4.356 -3.669 -6.115 1.00 0.00 H new ATOM 0 HA ILE A 74 5.043 -3.477 -3.423 1.00 0.00 H new ATOM 0 HB ILE A 74 2.783 -4.655 -4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.664 -2.562 -2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.243 -2.138 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.636 -5.199 -2.854 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.077 -6.211 -3.113 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.135 -4.860 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.806 -1.751 -4.221 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.146 -3.029 -5.411 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.558 -3.459 -3.788 1.00 0.00 H new ATOM 1067 N ARG A 75 5.070 -6.596 -4.474 1.00 0.00 N ATOM 1068 CA ARG A 75 5.628 -7.909 -4.199 1.00 0.00 C ATOM 1069 C ARG A 75 7.150 -7.820 -4.064 1.00 0.00 C ATOM 1070 O ARG A 75 7.709 -8.209 -3.039 1.00 0.00 O ATOM 1071 CB ARG A 75 5.279 -8.900 -5.311 1.00 0.00 C ATOM 1072 CG ARG A 75 4.610 -10.151 -4.740 1.00 0.00 C ATOM 1073 CD ARG A 75 3.282 -10.433 -5.446 1.00 0.00 C ATOM 1074 NE ARG A 75 2.916 -11.858 -5.286 1.00 0.00 N ATOM 1075 CZ ARG A 75 1.838 -12.424 -5.845 1.00 0.00 C ATOM 1076 NH1 ARG A 75 1.012 -11.690 -6.603 1.00 0.00 N ATOM 1077 NH2 ARG A 75 1.584 -13.725 -5.645 1.00 0.00 N ATOM 0 H ARG A 75 4.443 -6.559 -5.278 1.00 0.00 H new ATOM 0 HA ARG A 75 5.196 -8.264 -3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.614 -8.424 -6.031 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.184 -9.181 -5.850 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.275 -11.007 -4.853 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.438 -10.020 -3.672 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.498 -9.799 -5.031 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.364 -10.187 -6.505 1.00 0.00 H new ATOM 0 HE ARG A 75 3.522 -12.446 -4.714 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.204 -10.700 -6.755 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.191 -12.122 -7.028 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.212 -14.284 -5.067 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.763 -14.156 -6.071 1.00 0.00 H new ATOM 1091 N GLN A 76 7.776 -7.306 -5.111 1.00 0.00 N ATOM 1092 CA GLN A 76 9.222 -7.161 -5.122 1.00 0.00 C ATOM 1093 C GLN A 76 9.672 -6.236 -3.989 1.00 0.00 C ATOM 1094 O GLN A 76 10.855 -6.184 -3.658 1.00 0.00 O ATOM 1095 CB GLN A 76 9.712 -6.646 -6.477 1.00 0.00 C ATOM 1096 CG GLN A 76 9.420 -7.658 -7.587 1.00 0.00 C ATOM 1097 CD GLN A 76 10.715 -8.261 -8.133 1.00 0.00 C ATOM 1098 OE1 GLN A 76 11.671 -8.502 -7.413 1.00 0.00 O ATOM 1099 NE2 GLN A 76 10.694 -8.492 -9.443 1.00 0.00 N ATOM 0 H GLN A 76 7.309 -6.984 -5.959 1.00 0.00 H new ATOM 0 HA GLN A 76 9.666 -8.143 -4.961 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.226 -5.698 -6.707 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.783 -6.451 -6.430 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.779 -8.451 -7.202 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.873 -7.170 -8.394 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.861 -8.267 -9.987 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.511 -8.894 -9.903 1.00 0.00 H new ATOM 1108 N SER A 77 8.703 -5.529 -3.426 1.00 0.00 N ATOM 1109 CA SER A 77 8.984 -4.609 -2.337 1.00 0.00 C ATOM 1110 C SER A 77 9.390 -5.389 -1.085 1.00 0.00 C ATOM 1111 O SER A 77 8.658 -6.268 -0.632 1.00 0.00 O ATOM 1112 CB SER A 77 7.774 -3.722 -2.040 1.00 0.00 C ATOM 1113 OG SER A 77 8.160 -2.411 -1.635 1.00 0.00 O ATOM 0 H SER A 77 7.723 -5.575 -3.704 1.00 0.00 H new ATOM 0 HA SER A 77 9.809 -3.963 -2.639 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.145 -3.657 -2.928 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.172 -4.181 -1.256 1.00 0.00 H new ATOM 0 HG SER A 77 8.067 -1.794 -2.391 1.00 0.00 H new ATOM 1119 N ALA A 78 10.556 -5.039 -0.560 1.00 0.00 N ATOM 1120 CA ALA A 78 11.068 -5.695 0.631 1.00 0.00 C ATOM 1121 C ALA A 78 10.351 -5.139 1.862 1.00 0.00 C ATOM 1122 O ALA A 78 9.438 -4.324 1.738 1.00 0.00 O ATOM 1123 CB ALA A 78 12.584 -5.507 0.705 1.00 0.00 C ATOM 0 H ALA A 78 11.160 -4.309 -0.938 1.00 0.00 H new ATOM 0 HA ALA A 78 10.874 -6.767 0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.968 -5.999 1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.048 -5.945 -0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.817 -4.443 0.748 1.00 0.00 H new ATOM 1129 N SER A 79 10.791 -5.602 3.023 1.00 0.00 N ATOM 1130 CA SER A 79 10.202 -5.162 4.276 1.00 0.00 C ATOM 1131 C SER A 79 11.191 -4.276 5.036 1.00 0.00 C ATOM 1132 O SER A 79 12.391 -4.548 5.049 1.00 0.00 O ATOM 1133 CB SER A 79 9.786 -6.355 5.139 1.00 0.00 C ATOM 1134 OG SER A 79 10.890 -7.202 5.445 1.00 0.00 O ATOM 0 H SER A 79 11.549 -6.278 3.122 1.00 0.00 H new ATOM 0 HA SER A 79 9.306 -4.584 4.048 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.338 -5.994 6.065 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.021 -6.930 4.618 1.00 0.00 H new ATOM 0 HG SER A 79 10.584 -7.951 5.999 1.00 0.00 H new ATOM 1140 N PRO A 80 10.637 -3.206 5.667 1.00 0.00 N ATOM 1141 CA PRO A 80 9.207 -2.956 5.602 1.00 0.00 C ATOM 1142 C PRO A 80 8.811 -2.398 4.234 1.00 0.00 C ATOM 1143 O PRO A 80 9.657 -1.898 3.494 1.00 0.00 O ATOM 1144 CB PRO A 80 8.924 -1.991 6.742 1.00 0.00 C ATOM 1145 CG PRO A 80 10.264 -1.376 7.110 1.00 0.00 C ATOM 1146 CD PRO A 80 11.355 -2.210 6.457 1.00 0.00 C ATOM 0 HA PRO A 80 8.615 -3.865 5.711 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.213 -1.224 6.437 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.486 -2.511 7.594 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.317 -0.343 6.767 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.392 -1.360 8.192 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.000 -1.596 5.829 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.993 -2.682 7.204 1.00 0.00 H new ATOM 1154 N LEU A 81 7.523 -2.502 3.938 1.00 0.00 N ATOM 1155 CA LEU A 81 7.004 -2.014 2.672 1.00 0.00 C ATOM 1156 C LEU A 81 6.208 -0.730 2.913 1.00 0.00 C ATOM 1157 O LEU A 81 5.143 -0.761 3.528 1.00 0.00 O ATOM 1158 CB LEU A 81 6.204 -3.109 1.963 1.00 0.00 C ATOM 1159 CG LEU A 81 5.168 -2.630 0.944 1.00 0.00 C ATOM 1160 CD1 LEU A 81 5.839 -1.877 -0.206 1.00 0.00 C ATOM 1161 CD2 LEU A 81 4.311 -3.795 0.445 1.00 0.00 C ATOM 0 H LEU A 81 6.824 -2.917 4.554 1.00 0.00 H new ATOM 0 HA LEU A 81 7.822 -1.761 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.904 -3.772 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.692 -3.705 2.719 1.00 0.00 H new ATOM 0 HG LEU A 81 4.498 -1.928 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.081 -1.547 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.369 -1.010 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.546 -2.537 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.583 -3.427 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.950 -4.539 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.789 -4.249 1.287 1.00 0.00 H new ATOM 1173 N ARG A 82 6.755 0.369 2.416 1.00 0.00 N ATOM 1174 CA ARG A 82 6.110 1.662 2.570 1.00 0.00 C ATOM 1175 C ARG A 82 5.130 1.906 1.420 1.00 0.00 C ATOM 1176 O ARG A 82 5.457 1.664 0.259 1.00 0.00 O ATOM 1177 CB ARG A 82 7.141 2.792 2.601 1.00 0.00 C ATOM 1178 CG ARG A 82 7.140 3.497 3.959 1.00 0.00 C ATOM 1179 CD ARG A 82 8.152 4.645 3.981 1.00 0.00 C ATOM 1180 NE ARG A 82 9.376 4.228 4.700 1.00 0.00 N ATOM 1181 CZ ARG A 82 10.502 4.952 4.749 1.00 0.00 C ATOM 1182 NH1 ARG A 82 10.567 6.133 4.120 1.00 0.00 N ATOM 1183 NH2 ARG A 82 11.564 4.494 5.426 1.00 0.00 N ATOM 0 H ARG A 82 7.638 0.391 1.906 1.00 0.00 H new ATOM 0 HA ARG A 82 5.570 1.653 3.517 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.133 2.390 2.397 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.921 3.512 1.813 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.143 3.882 4.172 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.380 2.781 4.745 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.402 4.940 2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.714 5.517 4.467 1.00 0.00 H new ATOM 0 HE ARG A 82 9.362 3.333 5.189 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.759 6.481 3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.424 6.684 4.157 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.515 3.594 5.904 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.421 5.045 5.463 1.00 0.00 H new ATOM 1197 N LEU A 83 3.949 2.383 1.783 1.00 0.00 N ATOM 1198 CA LEU A 83 2.919 2.663 0.796 1.00 0.00 C ATOM 1199 C LEU A 83 2.188 3.951 1.180 1.00 0.00 C ATOM 1200 O LEU A 83 1.580 4.030 2.246 1.00 0.00 O ATOM 1201 CB LEU A 83 1.994 1.456 0.631 1.00 0.00 C ATOM 1202 CG LEU A 83 2.606 0.229 -0.047 1.00 0.00 C ATOM 1203 CD1 LEU A 83 1.688 -0.987 0.088 1.00 0.00 C ATOM 1204 CD2 LEU A 83 2.955 0.525 -1.507 1.00 0.00 C ATOM 0 H LEU A 83 3.682 2.583 2.747 1.00 0.00 H new ATOM 0 HA LEU A 83 3.365 2.830 -0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.636 1.161 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.122 1.767 0.055 1.00 0.00 H new ATOM 0 HG LEU A 83 3.538 -0.013 0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.147 -1.845 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.534 -1.212 1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.728 -0.772 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.388 -0.364 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.051 0.808 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.674 1.343 -1.551 1.00 0.00 H new ATOM 1216 N GLN A 84 2.272 4.929 0.289 1.00 0.00 N ATOM 1217 CA GLN A 84 1.625 6.209 0.520 1.00 0.00 C ATOM 1218 C GLN A 84 0.169 6.162 0.052 1.00 0.00 C ATOM 1219 O GLN A 84 -0.099 5.971 -1.133 1.00 0.00 O ATOM 1220 CB GLN A 84 2.387 7.341 -0.172 1.00 0.00 C ATOM 1221 CG GLN A 84 2.046 8.695 0.454 1.00 0.00 C ATOM 1222 CD GLN A 84 2.383 9.841 -0.501 1.00 0.00 C ATOM 1223 OE1 GLN A 84 3.063 9.672 -1.500 1.00 0.00 O ATOM 1224 NE2 GLN A 84 1.871 11.015 -0.140 1.00 0.00 N ATOM 0 H GLN A 84 2.778 4.860 -0.594 1.00 0.00 H new ATOM 0 HA GLN A 84 1.635 6.410 1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.459 7.161 -0.097 1.00 0.00 H new ATOM 0 HB3 GLN A 84 2.140 7.355 -1.234 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.986 8.727 0.706 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.599 8.819 1.385 1.00 0.00 H new ATOM 0 HE21 GLN A 84 1.310 11.087 0.709 1.00 0.00 H new ATOM 0 HE22 GLN A 84 2.039 11.842 -0.712 1.00 0.00 H new ATOM 1233 N LEU A 85 -0.732 6.338 1.007 1.00 0.00 N ATOM 1234 CA LEU A 85 -2.154 6.317 0.707 1.00 0.00 C ATOM 1235 C LEU A 85 -2.688 7.751 0.690 1.00 0.00 C ATOM 1236 O LEU A 85 -2.209 8.604 1.436 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.893 5.396 1.679 1.00 0.00 C ATOM 1238 CG LEU A 85 -2.233 4.044 1.956 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.968 3.293 3.068 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -2.127 3.213 0.676 1.00 0.00 C ATOM 0 H LEU A 85 -0.505 6.496 1.989 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.329 5.900 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.011 5.921 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.894 5.216 1.287 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.217 4.225 2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.479 2.335 3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.947 3.886 3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.002 3.122 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.654 2.257 0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.124 3.039 0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.527 3.751 -0.058 1.00 0.00 H new ATOM 1252 N ASP A 86 -3.672 7.972 -0.168 1.00 0.00 N ATOM 1253 CA ASP A 86 -4.277 9.288 -0.291 1.00 0.00 C ATOM 1254 C ASP A 86 -5.620 9.297 0.440 1.00 0.00 C ATOM 1255 O ASP A 86 -6.620 8.809 -0.083 1.00 0.00 O ATOM 1256 CB ASP A 86 -4.534 9.640 -1.758 1.00 0.00 C ATOM 1257 CG ASP A 86 -4.054 11.029 -2.183 1.00 0.00 C ATOM 1258 OD1 ASP A 86 -2.891 11.351 -1.857 1.00 0.00 O ATOM 1259 OD2 ASP A 86 -4.860 11.737 -2.824 1.00 0.00 O ATOM 0 H ASP A 86 -4.066 7.262 -0.785 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.591 10.017 0.140 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.045 8.895 -2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.604 9.567 -1.952 1.00 0.00 H new ATOM 1264 N ARG A 87 -5.600 9.859 1.640 1.00 0.00 N ATOM 1265 CA ARG A 87 -6.805 9.939 2.449 1.00 0.00 C ATOM 1266 C ARG A 87 -7.291 11.387 2.535 1.00 0.00 C ATOM 1267 O ARG A 87 -6.700 12.204 3.239 1.00 0.00 O ATOM 1268 CB ARG A 87 -6.555 9.407 3.862 1.00 0.00 C ATOM 1269 CG ARG A 87 -7.847 8.871 4.482 1.00 0.00 C ATOM 1270 CD ARG A 87 -7.584 7.589 5.275 1.00 0.00 C ATOM 1271 NE ARG A 87 -8.076 6.416 4.518 1.00 0.00 N ATOM 1272 CZ ARG A 87 -8.300 5.212 5.061 1.00 0.00 C ATOM 1273 NH1 ARG A 87 -8.076 5.014 6.368 1.00 0.00 N ATOM 1274 NH2 ARG A 87 -8.747 4.205 4.298 1.00 0.00 N ATOM 0 H ARG A 87 -4.769 10.263 2.071 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.568 9.324 1.971 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.807 8.615 3.829 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.150 10.202 4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.280 9.626 5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.577 8.674 3.697 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.517 7.485 5.470 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.081 7.642 6.243 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.256 6.532 3.521 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.735 5.780 6.949 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.247 4.097 6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.917 4.355 3.303 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.917 3.288 4.712 1.00 0.00 H new ATOM 1288 N SER A 88 -8.365 11.661 1.809 1.00 0.00 N ATOM 1289 CA SER A 88 -8.938 12.996 1.794 1.00 0.00 C ATOM 1290 C SER A 88 -10.445 12.916 1.546 1.00 0.00 C ATOM 1291 O SER A 88 -10.890 12.901 0.399 1.00 0.00 O ATOM 1292 CB SER A 88 -8.271 13.870 0.730 1.00 0.00 C ATOM 1293 OG SER A 88 -8.505 15.257 0.954 1.00 0.00 O ATOM 0 H SER A 88 -8.854 10.981 1.227 1.00 0.00 H new ATOM 0 HA SER A 88 -8.760 13.455 2.766 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.198 13.680 0.725 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.648 13.593 -0.255 1.00 0.00 H new ATOM 0 HG SER A 88 -8.062 15.781 0.254 1.00 0.00 H new ATOM 1299 N SER A 89 -11.191 12.866 2.640 1.00 0.00 N ATOM 1300 CA SER A 89 -12.639 12.788 2.556 1.00 0.00 C ATOM 1301 C SER A 89 -13.264 13.192 3.893 1.00 0.00 C ATOM 1302 O SER A 89 -14.211 13.977 3.928 1.00 0.00 O ATOM 1303 CB SER A 89 -13.093 11.381 2.163 1.00 0.00 C ATOM 1304 OG SER A 89 -13.972 11.397 1.041 1.00 0.00 O ATOM 0 H SER A 89 -10.819 12.878 3.590 1.00 0.00 H new ATOM 0 HA SER A 89 -12.974 13.479 1.782 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.221 10.770 1.931 1.00 0.00 H new ATOM 0 HB3 SER A 89 -13.594 10.912 3.010 1.00 0.00 H new ATOM 0 HG SER A 89 -14.238 10.480 0.820 1.00 0.00 H new ATOM 1310 N GLY A 90 -12.708 12.639 4.961 1.00 0.00 N ATOM 1311 CA GLY A 90 -13.198 12.933 6.297 1.00 0.00 C ATOM 1312 C GLY A 90 -13.867 11.705 6.917 1.00 0.00 C ATOM 1313 O GLY A 90 -14.337 10.821 6.202 1.00 0.00 O ATOM 0 H GLY A 90 -11.923 11.989 4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -12.371 13.259 6.928 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -13.910 13.757 6.254 1.00 0.00 H new ATOM 1317 N PRO A 91 -13.891 11.688 8.277 1.00 0.00 N ATOM 1318 CA PRO A 91 -14.495 10.583 9.002 1.00 0.00 C ATOM 1319 C PRO A 91 -16.022 10.657 8.942 1.00 0.00 C ATOM 1320 O PRO A 91 -16.587 11.731 8.737 1.00 0.00 O ATOM 1321 CB PRO A 91 -13.949 10.696 10.416 1.00 0.00 C ATOM 1322 CG PRO A 91 -13.431 12.118 10.552 1.00 0.00 C ATOM 1323 CD PRO A 91 -13.345 12.717 9.157 1.00 0.00 C ATOM 0 HA PRO A 91 -14.250 9.612 8.571 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.727 10.492 11.152 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.152 9.972 10.585 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -14.097 12.709 11.181 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -12.452 12.124 11.031 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -13.917 13.642 9.087 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -12.316 12.959 8.893 1.00 0.00 H new ATOM 1331 N SER A 92 -16.646 9.503 9.125 1.00 0.00 N ATOM 1332 CA SER A 92 -18.096 9.424 9.095 1.00 0.00 C ATOM 1333 C SER A 92 -18.558 8.073 9.645 1.00 0.00 C ATOM 1334 O SER A 92 -18.480 7.058 8.955 1.00 0.00 O ATOM 1335 CB SER A 92 -18.630 9.629 7.675 1.00 0.00 C ATOM 1336 OG SER A 92 -20.043 9.461 7.607 1.00 0.00 O ATOM 0 H SER A 92 -16.174 8.615 9.295 1.00 0.00 H new ATOM 0 HA SER A 92 -18.495 10.221 9.723 1.00 0.00 H new ATOM 0 HB2 SER A 92 -18.367 10.629 7.329 1.00 0.00 H new ATOM 0 HB3 SER A 92 -18.148 8.921 7.001 1.00 0.00 H new ATOM 0 HG SER A 92 -20.345 9.601 6.685 1.00 0.00 H new ATOM 1342 N SER A 93 -19.030 8.105 10.883 1.00 0.00 N ATOM 1343 CA SER A 93 -19.504 6.895 11.534 1.00 0.00 C ATOM 1344 C SER A 93 -18.397 5.839 11.548 1.00 0.00 C ATOM 1345 O SER A 93 -17.386 5.986 10.863 1.00 0.00 O ATOM 1346 CB SER A 93 -20.751 6.348 10.837 1.00 0.00 C ATOM 1347 OG SER A 93 -21.948 6.925 11.352 1.00 0.00 O ATOM 0 H SER A 93 -19.094 8.949 11.452 1.00 0.00 H new ATOM 0 HA SER A 93 -19.773 7.142 12.561 1.00 0.00 H new ATOM 0 HB2 SER A 93 -20.684 6.546 9.767 1.00 0.00 H new ATOM 0 HB3 SER A 93 -20.789 5.266 10.959 1.00 0.00 H new ATOM 0 HG SER A 93 -22.721 6.551 10.880 1.00 0.00 H new ATOM 1353 N GLY A 94 -18.626 4.799 12.335 1.00 0.00 N ATOM 1354 CA GLY A 94 -17.660 3.718 12.447 1.00 0.00 C ATOM 1355 C GLY A 94 -18.333 2.429 12.921 1.00 0.00 C ATOM 1356 O GLY A 94 -17.680 1.393 13.044 1.00 0.00 O ATOM 0 H GLY A 94 -19.466 4.681 12.902 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -17.183 3.550 11.481 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.873 4.000 13.146 1.00 0.00 H new TER 1360 GLY A 94