USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 621 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 65 LYS NZ :NH3+ -149:sc= 2.43 (180deg=0.939) USER MOD Set 1.2: A 66 ASN : amide:sc= 0.00819 K(o=2.4,f=-12!) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.121 (180deg=-0.718) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.187 (180deg=-0.191) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.0334 X(o=-0.033,f=-0.26) USER MOD Single : A 17 ASN : amide:sc= -0.657 K(o=-0.66,f=-0.0028) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 136:sc= 1.44 (180deg=-2.45!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0178 USER MOD Single : A 34 THR OG1 : rot 180:sc=0.000841 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00481 USER MOD Single : A 43 SER OG : rot 180:sc= -1.07 USER MOD Single : A 44 MET CE :methyl 142:sc= -8.44! (180deg=-12.7!) USER MOD Single : A 58 LYS NZ :NH3+ 158:sc= 1.19 (180deg=1.14) USER MOD Single : A 68 LYS NZ :NH3+ 170:sc=-0.00482 (180deg=-0.0852) USER MOD Single : A 69 THR OG1 : rot -120:sc= -0.542 USER MOD Single : A 74 THR OG1 : rot 54:sc= -0.595 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -117:sc= 0.4 USER MOD Single : A 80 HIS : no HD1:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 81 GLN : amide:sc= 0.414 X(o=0.41,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.841 -8.808 -1.563 1.00 0.00 N ATOM 2 CA MET A 1 -16.919 -8.361 -2.635 1.00 0.00 C ATOM 3 C MET A 1 -15.836 -7.443 -2.073 1.00 0.00 C ATOM 4 O MET A 1 -15.212 -6.681 -2.810 1.00 0.00 O ATOM 5 CB MET A 1 -17.691 -7.625 -3.740 1.00 0.00 C ATOM 6 CG MET A 1 -18.623 -8.513 -4.549 1.00 0.00 C ATOM 7 SD MET A 1 -17.746 -9.784 -5.475 1.00 0.00 S ATOM 8 CE MET A 1 -16.745 -8.774 -6.568 1.00 0.00 C ATOM 0 H1 MET A 1 -18.626 -9.347 -1.982 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.326 -9.413 -0.892 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.219 -7.979 -1.062 1.00 0.00 H new ATOM 0 HA MET A 1 -16.447 -9.248 -3.058 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.274 -6.823 -3.287 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.976 -7.157 -4.416 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.339 -8.988 -3.878 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.196 -7.896 -5.241 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.409 -9.375 -7.413 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.338 -7.935 -6.933 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.879 -8.397 -6.024 1.00 0.00 H new ATOM 20 N ALA A 2 -15.603 -7.519 -0.769 1.00 0.00 N ATOM 21 CA ALA A 2 -14.593 -6.690 -0.139 1.00 0.00 C ATOM 22 C ALA A 2 -13.284 -7.455 -0.024 1.00 0.00 C ATOM 23 O ALA A 2 -13.274 -8.687 -0.012 1.00 0.00 O ATOM 24 CB ALA A 2 -15.066 -6.226 1.229 1.00 0.00 C ATOM 0 H ALA A 2 -16.099 -8.144 -0.133 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.425 -5.809 -0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.297 -5.605 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.983 -5.647 1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.258 -7.093 1.861 1.00 0.00 H new ATOM 30 N ALA A 3 -12.186 -6.726 0.059 1.00 0.00 N ATOM 31 CA ALA A 3 -10.875 -7.334 0.153 1.00 0.00 C ATOM 32 C ALA A 3 -10.300 -7.090 1.531 1.00 0.00 C ATOM 33 O ALA A 3 -10.192 -5.944 1.965 1.00 0.00 O ATOM 34 CB ALA A 3 -9.951 -6.766 -0.916 1.00 0.00 C ATOM 0 H ALA A 3 -12.179 -5.706 0.063 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.967 -8.408 -0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.969 -7.232 -0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.367 -6.970 -1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -9.854 -5.689 -0.778 1.00 0.00 H new ATOM 40 N THR A 4 -9.970 -8.156 2.231 1.00 0.00 N ATOM 41 CA THR A 4 -9.313 -8.031 3.513 1.00 0.00 C ATOM 42 C THR A 4 -7.801 -8.005 3.283 1.00 0.00 C ATOM 43 O THR A 4 -7.356 -7.710 2.169 1.00 0.00 O ATOM 44 CB THR A 4 -9.715 -9.179 4.463 1.00 0.00 C ATOM 45 OG1 THR A 4 -11.074 -9.563 4.207 1.00 0.00 O ATOM 46 CG2 THR A 4 -9.593 -8.739 5.916 1.00 0.00 C ATOM 0 H THR A 4 -10.146 -9.116 1.934 1.00 0.00 H new ATOM 0 HA THR A 4 -9.625 -7.104 3.994 1.00 0.00 H new ATOM 0 HB THR A 4 -9.047 -10.022 4.287 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.327 -10.293 4.810 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.881 -9.562 6.571 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.562 -8.453 6.124 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.249 -7.887 6.094 1.00 0.00 H new ATOM 54 N GLN A 5 -7.018 -8.323 4.307 1.00 0.00 N ATOM 55 CA GLN A 5 -5.577 -8.186 4.245 1.00 0.00 C ATOM 56 C GLN A 5 -4.978 -9.010 3.113 1.00 0.00 C ATOM 57 O GLN A 5 -4.293 -8.470 2.254 1.00 0.00 O ATOM 58 CB GLN A 5 -4.968 -8.615 5.572 1.00 0.00 C ATOM 59 CG GLN A 5 -3.459 -8.657 5.560 1.00 0.00 C ATOM 60 CD GLN A 5 -2.899 -9.338 6.786 1.00 0.00 C ATOM 61 OE1 GLN A 5 -3.474 -9.271 7.874 1.00 0.00 O ATOM 62 NE2 GLN A 5 -1.798 -10.036 6.600 1.00 0.00 N ATOM 0 H GLN A 5 -7.366 -8.681 5.197 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.347 -7.139 4.049 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.298 -7.929 6.352 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.348 -9.602 5.834 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.119 -9.182 4.667 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.069 -7.641 5.501 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.359 -10.060 5.680 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.384 -10.552 7.376 1.00 0.00 H new ATOM 71 N GLU A 6 -5.259 -10.307 3.111 1.00 0.00 N ATOM 72 CA GLU A 6 -4.671 -11.229 2.142 1.00 0.00 C ATOM 73 C GLU A 6 -4.899 -10.766 0.698 1.00 0.00 C ATOM 74 O GLU A 6 -3.971 -10.758 -0.116 1.00 0.00 O ATOM 75 CB GLU A 6 -5.216 -12.657 2.349 1.00 0.00 C ATOM 76 CG GLU A 6 -6.733 -12.809 2.220 1.00 0.00 C ATOM 77 CD GLU A 6 -7.517 -12.171 3.355 1.00 0.00 C ATOM 78 OE1 GLU A 6 -6.937 -11.943 4.439 1.00 0.00 O ATOM 79 OE2 GLU A 6 -8.719 -11.896 3.168 1.00 0.00 O ATOM 0 H GLU A 6 -5.895 -10.749 3.774 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.595 -11.238 2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.739 -13.317 1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.917 -13.001 3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.053 -12.366 1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.979 -13.870 2.174 1.00 0.00 H new ATOM 86 N GLU A 7 -6.118 -10.344 0.400 1.00 0.00 N ATOM 87 CA GLU A 7 -6.477 -9.925 -0.950 1.00 0.00 C ATOM 88 C GLU A 7 -5.754 -8.642 -1.334 1.00 0.00 C ATOM 89 O GLU A 7 -5.037 -8.583 -2.339 1.00 0.00 O ATOM 90 CB GLU A 7 -7.980 -9.687 -1.040 1.00 0.00 C ATOM 91 CG GLU A 7 -8.828 -10.884 -0.654 1.00 0.00 C ATOM 92 CD GLU A 7 -8.562 -12.097 -1.517 1.00 0.00 C ATOM 93 OE1 GLU A 7 -8.853 -12.046 -2.731 1.00 0.00 O ATOM 94 OE2 GLU A 7 -8.093 -13.119 -0.976 1.00 0.00 O ATOM 0 H GLU A 7 -6.879 -10.282 1.076 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.182 -10.719 -1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.242 -8.848 -0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.229 -9.395 -2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.637 -11.137 0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.882 -10.615 -0.729 1.00 0.00 H new ATOM 101 N ILE A 8 -5.941 -7.616 -0.518 1.00 0.00 N ATOM 102 CA ILE A 8 -5.421 -6.298 -0.823 1.00 0.00 C ATOM 103 C ILE A 8 -3.890 -6.310 -0.771 1.00 0.00 C ATOM 104 O ILE A 8 -3.233 -5.585 -1.515 1.00 0.00 O ATOM 105 CB ILE A 8 -6.025 -5.243 0.140 1.00 0.00 C ATOM 106 CG1 ILE A 8 -6.021 -3.834 -0.479 1.00 0.00 C ATOM 107 CG2 ILE A 8 -5.303 -5.250 1.478 1.00 0.00 C ATOM 108 CD1 ILE A 8 -4.669 -3.146 -0.499 1.00 0.00 C ATOM 0 H ILE A 8 -6.451 -7.674 0.363 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.715 -6.021 -1.835 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.065 -5.520 0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.392 -3.902 -1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.722 -3.209 0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.746 -4.501 2.134 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.396 -6.235 1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.249 -5.019 1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.769 -2.160 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.300 -3.039 0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.965 -3.743 -1.079 1.00 0.00 H new ATOM 120 N VAL A 9 -3.328 -7.167 0.082 1.00 0.00 N ATOM 121 CA VAL A 9 -1.880 -7.322 0.169 1.00 0.00 C ATOM 122 C VAL A 9 -1.319 -7.809 -1.153 1.00 0.00 C ATOM 123 O VAL A 9 -0.310 -7.295 -1.618 1.00 0.00 O ATOM 124 CB VAL A 9 -1.466 -8.282 1.313 1.00 0.00 C ATOM 125 CG1 VAL A 9 -0.121 -8.945 1.036 1.00 0.00 C ATOM 126 CG2 VAL A 9 -1.399 -7.526 2.631 1.00 0.00 C ATOM 0 H VAL A 9 -3.855 -7.763 0.721 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.462 -6.341 0.396 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.222 -9.065 1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.134 -9.610 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.182 -9.520 0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.648 -8.179 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.107 -8.210 3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.665 -6.724 2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.377 -7.101 2.857 1.00 0.00 H new ATOM 136 N ALA A 10 -1.987 -8.782 -1.768 1.00 0.00 N ATOM 137 CA ALA A 10 -1.560 -9.290 -3.068 1.00 0.00 C ATOM 138 C ALA A 10 -1.548 -8.172 -4.106 1.00 0.00 C ATOM 139 O ALA A 10 -0.609 -8.052 -4.897 1.00 0.00 O ATOM 140 CB ALA A 10 -2.461 -10.423 -3.528 1.00 0.00 C ATOM 0 H ALA A 10 -2.821 -9.232 -1.390 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.547 -9.677 -2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.123 -10.785 -4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.421 -11.236 -2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.486 -10.062 -3.612 1.00 0.00 H new ATOM 146 N GLY A 11 -2.590 -7.351 -4.089 1.00 0.00 N ATOM 147 CA GLY A 11 -2.665 -6.234 -5.013 1.00 0.00 C ATOM 148 C GLY A 11 -1.630 -5.166 -4.715 1.00 0.00 C ATOM 149 O GLY A 11 -0.978 -4.649 -5.627 1.00 0.00 O ATOM 0 H GLY A 11 -3.383 -7.437 -3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.525 -6.598 -6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.661 -5.794 -4.966 1.00 0.00 H new ATOM 153 N LEU A 12 -1.481 -4.837 -3.437 1.00 0.00 N ATOM 154 CA LEU A 12 -0.499 -3.854 -2.994 1.00 0.00 C ATOM 155 C LEU A 12 0.912 -4.348 -3.334 1.00 0.00 C ATOM 156 O LEU A 12 1.725 -3.609 -3.888 1.00 0.00 O ATOM 157 CB LEU A 12 -0.643 -3.637 -1.476 1.00 0.00 C ATOM 158 CG LEU A 12 -0.534 -2.185 -0.971 1.00 0.00 C ATOM 159 CD1 LEU A 12 0.806 -1.570 -1.345 1.00 0.00 C ATOM 160 CD2 LEU A 12 -1.682 -1.332 -1.505 1.00 0.00 C ATOM 0 H LEU A 12 -2.034 -5.242 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.669 -2.906 -3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.610 -4.033 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.121 -4.230 -0.973 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.603 -2.210 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.852 -0.546 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.611 -2.154 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.916 -1.569 -2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.581 -0.312 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.654 -1.326 -2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.632 -1.748 -1.169 1.00 0.00 H new ATOM 172 N ALA A 13 1.169 -5.618 -3.023 1.00 0.00 N ATOM 173 CA ALA A 13 2.461 -6.254 -3.273 1.00 0.00 C ATOM 174 C ALA A 13 2.865 -6.154 -4.735 1.00 0.00 C ATOM 175 O ALA A 13 3.965 -5.700 -5.056 1.00 0.00 O ATOM 176 CB ALA A 13 2.409 -7.716 -2.864 1.00 0.00 C ATOM 0 H ALA A 13 0.484 -6.237 -2.589 1.00 0.00 H new ATOM 0 HA ALA A 13 3.206 -5.727 -2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.376 -8.182 -3.054 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.174 -7.789 -1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.640 -8.228 -3.442 1.00 0.00 H new ATOM 182 N GLU A 14 1.959 -6.580 -5.611 1.00 0.00 N ATOM 183 CA GLU A 14 2.194 -6.565 -7.050 1.00 0.00 C ATOM 184 C GLU A 14 2.631 -5.178 -7.509 1.00 0.00 C ATOM 185 O GLU A 14 3.486 -5.029 -8.385 1.00 0.00 O ATOM 186 CB GLU A 14 0.909 -6.959 -7.784 1.00 0.00 C ATOM 187 CG GLU A 14 1.088 -7.109 -9.287 1.00 0.00 C ATOM 188 CD GLU A 14 -0.226 -7.250 -10.030 1.00 0.00 C ATOM 189 OE1 GLU A 14 -0.974 -8.206 -9.751 1.00 0.00 O ATOM 190 OE2 GLU A 14 -0.510 -6.403 -10.907 1.00 0.00 O ATOM 0 H GLU A 14 1.044 -6.944 -5.344 1.00 0.00 H new ATOM 0 HA GLU A 14 2.986 -7.278 -7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.541 -7.900 -7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.145 -6.206 -7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.625 -6.242 -9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.708 -7.983 -9.488 1.00 0.00 H new ATOM 197 N ILE A 15 2.055 -4.165 -6.887 1.00 0.00 N ATOM 198 CA ILE A 15 2.267 -2.802 -7.308 1.00 0.00 C ATOM 199 C ILE A 15 3.507 -2.170 -6.663 1.00 0.00 C ATOM 200 O ILE A 15 4.169 -1.343 -7.281 1.00 0.00 O ATOM 201 CB ILE A 15 0.996 -1.965 -7.071 1.00 0.00 C ATOM 202 CG1 ILE A 15 0.435 -1.538 -8.426 1.00 0.00 C ATOM 203 CG2 ILE A 15 1.259 -0.768 -6.168 1.00 0.00 C ATOM 204 CD1 ILE A 15 -0.889 -0.830 -8.347 1.00 0.00 C ATOM 0 H ILE A 15 1.434 -4.267 -6.084 1.00 0.00 H new ATOM 0 HA ILE A 15 2.470 -2.815 -8.379 1.00 0.00 H new ATOM 0 HB ILE A 15 0.259 -2.575 -6.548 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.156 -0.884 -8.916 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.326 -2.420 -9.056 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.335 -0.207 -6.029 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.622 -1.115 -5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.009 -0.124 -6.627 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.218 -0.560 -9.351 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.627 -1.488 -7.888 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.784 0.073 -7.745 1.00 0.00 H new ATOM 216 N VAL A 16 3.848 -2.556 -5.439 1.00 0.00 N ATOM 217 CA VAL A 16 5.080 -2.052 -4.839 1.00 0.00 C ATOM 218 C VAL A 16 6.271 -2.740 -5.487 1.00 0.00 C ATOM 219 O VAL A 16 7.365 -2.175 -5.582 1.00 0.00 O ATOM 220 CB VAL A 16 5.147 -2.253 -3.317 1.00 0.00 C ATOM 221 CG1 VAL A 16 6.347 -1.513 -2.745 1.00 0.00 C ATOM 222 CG2 VAL A 16 3.869 -1.782 -2.656 1.00 0.00 C ATOM 0 H VAL A 16 3.309 -3.196 -4.856 1.00 0.00 H new ATOM 0 HA VAL A 16 5.100 -0.977 -5.017 1.00 0.00 H new ATOM 0 HB VAL A 16 5.261 -3.318 -3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.386 -1.662 -1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.261 -1.898 -3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.255 -0.449 -2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.939 -1.934 -1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.721 -0.722 -2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.026 -2.350 -3.048 1.00 0.00 H new ATOM 232 N ASN A 17 6.040 -3.964 -5.945 1.00 0.00 N ATOM 233 CA ASN A 17 7.013 -4.686 -6.751 1.00 0.00 C ATOM 234 C ASN A 17 7.309 -3.878 -8.013 1.00 0.00 C ATOM 235 O ASN A 17 8.415 -3.913 -8.548 1.00 0.00 O ATOM 236 CB ASN A 17 6.460 -6.067 -7.127 1.00 0.00 C ATOM 237 CG ASN A 17 7.466 -6.937 -7.861 1.00 0.00 C ATOM 238 OD1 ASN A 17 7.112 -7.664 -8.786 1.00 0.00 O ATOM 239 ND2 ASN A 17 8.717 -6.909 -7.423 1.00 0.00 N ATOM 0 H ASN A 17 5.178 -4.480 -5.769 1.00 0.00 H new ATOM 0 HA ASN A 17 7.932 -4.824 -6.182 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.138 -6.581 -6.221 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.576 -5.939 -7.752 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.423 -7.504 -7.857 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.974 -6.292 -6.652 1.00 0.00 H new ATOM 246 N GLU A 18 6.307 -3.122 -8.450 1.00 0.00 N ATOM 247 CA GLU A 18 6.413 -2.279 -9.633 1.00 0.00 C ATOM 248 C GLU A 18 7.231 -1.027 -9.332 1.00 0.00 C ATOM 249 O GLU A 18 7.787 -0.405 -10.237 1.00 0.00 O ATOM 250 CB GLU A 18 5.009 -1.886 -10.100 1.00 0.00 C ATOM 251 CG GLU A 18 4.919 -1.516 -11.569 1.00 0.00 C ATOM 252 CD GLU A 18 3.488 -1.494 -12.066 1.00 0.00 C ATOM 253 OE1 GLU A 18 2.987 -2.562 -12.481 1.00 0.00 O ATOM 254 OE2 GLU A 18 2.854 -0.419 -12.038 1.00 0.00 O ATOM 0 H GLU A 18 5.397 -3.077 -7.992 1.00 0.00 H new ATOM 0 HA GLU A 18 6.920 -2.836 -10.421 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.329 -2.715 -9.904 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.664 -1.042 -9.503 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.371 -0.536 -11.724 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.496 -2.229 -12.158 1.00 0.00 H new ATOM 261 N ILE A 19 7.312 -0.666 -8.056 1.00 0.00 N ATOM 262 CA ILE A 19 8.000 0.554 -7.658 1.00 0.00 C ATOM 263 C ILE A 19 9.457 0.279 -7.310 1.00 0.00 C ATOM 264 O ILE A 19 10.364 0.904 -7.862 1.00 0.00 O ATOM 265 CB ILE A 19 7.335 1.214 -6.435 1.00 0.00 C ATOM 266 CG1 ILE A 19 5.823 1.308 -6.620 1.00 0.00 C ATOM 267 CG2 ILE A 19 7.927 2.594 -6.216 1.00 0.00 C ATOM 268 CD1 ILE A 19 5.107 1.996 -5.477 1.00 0.00 C ATOM 0 H ILE A 19 6.912 -1.199 -7.284 1.00 0.00 H new ATOM 0 HA ILE A 19 7.940 1.227 -8.513 1.00 0.00 H new ATOM 0 HB ILE A 19 7.527 0.596 -5.558 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.613 1.846 -7.544 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.418 0.303 -6.737 1.00 0.00 H new ATOM 0 HG21 ILE A 19 7.455 3.059 -5.350 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.999 2.506 -6.041 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.752 3.209 -7.099 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.037 2.024 -5.682 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.285 1.446 -4.553 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.483 3.014 -5.372 1.00 0.00 H new ATOM 280 N ALA A 20 9.672 -0.665 -6.401 1.00 0.00 N ATOM 281 CA ALA A 20 11.016 -0.976 -5.935 1.00 0.00 C ATOM 282 C ALA A 20 11.323 -2.455 -6.129 1.00 0.00 C ATOM 283 O ALA A 20 11.746 -2.866 -7.210 1.00 0.00 O ATOM 284 CB ALA A 20 11.192 -0.566 -4.479 1.00 0.00 C ATOM 0 H ALA A 20 8.935 -1.226 -5.974 1.00 0.00 H new ATOM 0 HA ALA A 20 11.726 -0.403 -6.531 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.203 -0.808 -4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.026 0.507 -4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.473 -1.103 -3.860 1.00 0.00 H new ATOM 290 N GLY A 21 11.079 -3.269 -5.107 1.00 0.00 N ATOM 291 CA GLY A 21 11.353 -4.682 -5.249 1.00 0.00 C ATOM 292 C GLY A 21 11.167 -5.495 -3.980 1.00 0.00 C ATOM 293 O GLY A 21 12.068 -6.231 -3.584 1.00 0.00 O ATOM 0 H GLY A 21 10.705 -2.982 -4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.702 -5.088 -6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 21 12.379 -4.806 -5.597 1.00 0.00 H new ATOM 297 N ILE A 22 10.025 -5.358 -3.326 1.00 0.00 N ATOM 298 CA ILE A 22 9.617 -6.350 -2.342 1.00 0.00 C ATOM 299 C ILE A 22 8.718 -7.363 -3.036 1.00 0.00 C ATOM 300 O ILE A 22 7.693 -6.993 -3.607 1.00 0.00 O ATOM 301 CB ILE A 22 8.859 -5.750 -1.131 1.00 0.00 C ATOM 302 CG1 ILE A 22 9.787 -4.945 -0.219 1.00 0.00 C ATOM 303 CG2 ILE A 22 8.191 -6.855 -0.330 1.00 0.00 C ATOM 304 CD1 ILE A 22 10.920 -5.756 0.376 1.00 0.00 C ATOM 0 H ILE A 22 9.373 -4.584 -3.454 1.00 0.00 H new ATOM 0 HA ILE A 22 10.523 -6.807 -1.945 1.00 0.00 H new ATOM 0 HB ILE A 22 8.102 -5.072 -1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.207 -4.115 -0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 22 9.199 -4.513 0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.662 -6.421 0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.483 -7.388 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.948 -7.550 0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.533 -5.115 1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.510 -6.571 0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 22 11.534 -6.167 -0.426 1.00 0.00 H new ATOM 316 N PRO A 23 9.111 -8.640 -3.038 1.00 0.00 N ATOM 317 CA PRO A 23 8.319 -9.700 -3.659 1.00 0.00 C ATOM 318 C PRO A 23 6.966 -9.870 -2.973 1.00 0.00 C ATOM 319 O PRO A 23 6.821 -9.562 -1.787 1.00 0.00 O ATOM 320 CB PRO A 23 9.180 -10.955 -3.481 1.00 0.00 C ATOM 321 CG PRO A 23 10.116 -10.632 -2.368 1.00 0.00 C ATOM 322 CD PRO A 23 10.354 -9.152 -2.439 1.00 0.00 C ATOM 0 HA PRO A 23 8.090 -9.484 -4.703 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.566 -11.823 -3.240 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.723 -11.193 -4.396 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.688 -10.912 -1.405 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.051 -11.182 -2.473 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.531 -8.725 -1.452 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.224 -8.913 -3.051 1.00 0.00 H new ATOM 330 N VAL A 24 5.983 -10.371 -3.714 1.00 0.00 N ATOM 331 CA VAL A 24 4.629 -10.550 -3.180 1.00 0.00 C ATOM 332 C VAL A 24 4.621 -11.506 -1.986 1.00 0.00 C ATOM 333 O VAL A 24 3.674 -11.528 -1.205 1.00 0.00 O ATOM 334 CB VAL A 24 3.644 -11.074 -4.252 1.00 0.00 C ATOM 335 CG1 VAL A 24 3.599 -10.139 -5.449 1.00 0.00 C ATOM 336 CG2 VAL A 24 4.010 -12.485 -4.687 1.00 0.00 C ATOM 0 H VAL A 24 6.094 -10.661 -4.685 1.00 0.00 H new ATOM 0 HA VAL A 24 4.299 -9.563 -2.856 1.00 0.00 H new ATOM 0 HB VAL A 24 2.650 -11.105 -3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.900 -10.529 -6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.272 -9.150 -5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.592 -10.066 -5.892 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.302 -12.829 -5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.016 -12.487 -5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.975 -13.152 -3.826 1.00 0.00 H new ATOM 346 N GLU A 25 5.689 -12.282 -1.856 1.00 0.00 N ATOM 347 CA GLU A 25 5.832 -13.240 -0.770 1.00 0.00 C ATOM 348 C GLU A 25 6.226 -12.535 0.525 1.00 0.00 C ATOM 349 O GLU A 25 6.025 -13.064 1.618 1.00 0.00 O ATOM 350 CB GLU A 25 6.912 -14.264 -1.129 1.00 0.00 C ATOM 351 CG GLU A 25 6.739 -14.903 -2.497 1.00 0.00 C ATOM 352 CD GLU A 25 5.548 -15.830 -2.572 1.00 0.00 C ATOM 353 OE1 GLU A 25 5.709 -17.027 -2.259 1.00 0.00 O ATOM 354 OE2 GLU A 25 4.457 -15.377 -2.965 1.00 0.00 O ATOM 0 H GLU A 25 6.479 -12.264 -2.500 1.00 0.00 H new ATOM 0 HA GLU A 25 4.874 -13.740 -0.624 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.886 -13.776 -1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.918 -15.049 -0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.629 -14.119 -3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.642 -15.460 -2.748 1.00 0.00 H new ATOM 361 N ASP A 26 6.781 -11.337 0.397 1.00 0.00 N ATOM 362 CA ASP A 26 7.388 -10.661 1.535 1.00 0.00 C ATOM 363 C ASP A 26 6.524 -9.510 2.039 1.00 0.00 C ATOM 364 O ASP A 26 6.776 -8.968 3.115 1.00 0.00 O ATOM 365 CB ASP A 26 8.773 -10.132 1.152 1.00 0.00 C ATOM 366 CG ASP A 26 9.640 -9.832 2.357 1.00 0.00 C ATOM 367 OD1 ASP A 26 9.675 -10.658 3.291 1.00 0.00 O ATOM 368 OD2 ASP A 26 10.286 -8.766 2.384 1.00 0.00 O ATOM 0 H ASP A 26 6.823 -10.816 -0.479 1.00 0.00 H new ATOM 0 HA ASP A 26 7.479 -11.391 2.339 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.276 -10.866 0.522 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.659 -9.226 0.557 1.00 0.00 H new ATOM 373 N VAL A 27 5.511 -9.128 1.268 1.00 0.00 N ATOM 374 CA VAL A 27 4.654 -8.010 1.650 1.00 0.00 C ATOM 375 C VAL A 27 3.750 -8.390 2.820 1.00 0.00 C ATOM 376 O VAL A 27 2.987 -9.352 2.751 1.00 0.00 O ATOM 377 CB VAL A 27 3.818 -7.488 0.462 1.00 0.00 C ATOM 378 CG1 VAL A 27 2.863 -6.384 0.904 1.00 0.00 C ATOM 379 CG2 VAL A 27 4.741 -6.972 -0.629 1.00 0.00 C ATOM 0 H VAL A 27 5.264 -9.571 0.383 1.00 0.00 H new ATOM 0 HA VAL A 27 5.309 -7.199 1.968 1.00 0.00 H new ATOM 0 HB VAL A 27 3.222 -8.314 0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.287 -6.036 0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.184 -6.773 1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.434 -5.553 1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.146 -6.605 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.352 -6.160 -0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.388 -7.780 -0.971 1.00 0.00 H new ATOM 389 N LYS A 28 3.850 -7.613 3.890 1.00 0.00 N ATOM 390 CA LYS A 28 3.202 -7.920 5.152 1.00 0.00 C ATOM 391 C LYS A 28 2.842 -6.612 5.818 1.00 0.00 C ATOM 392 O LYS A 28 3.348 -5.567 5.418 1.00 0.00 O ATOM 393 CB LYS A 28 4.149 -8.720 6.055 1.00 0.00 C ATOM 394 CG LYS A 28 4.664 -9.998 5.416 1.00 0.00 C ATOM 395 CD LYS A 28 5.926 -10.490 6.104 1.00 0.00 C ATOM 396 CE LYS A 28 6.569 -11.632 5.337 1.00 0.00 C ATOM 397 NZ LYS A 28 7.848 -12.069 5.958 1.00 0.00 N ATOM 0 H LYS A 28 4.388 -6.746 3.904 1.00 0.00 H new ATOM 0 HA LYS A 28 2.309 -8.521 4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.997 -8.091 6.325 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.630 -8.970 6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.895 -10.769 5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.868 -9.822 4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.635 -9.668 6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.686 -10.819 7.115 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.879 -12.475 5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.753 -11.320 4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.254 -12.850 5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.516 -11.272 5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.669 -12.391 6.931 1.00 0.00 H new ATOM 411 N LEU A 29 2.006 -6.655 6.837 1.00 0.00 N ATOM 412 CA LEU A 29 1.581 -5.432 7.499 1.00 0.00 C ATOM 413 C LEU A 29 2.667 -4.927 8.445 1.00 0.00 C ATOM 414 O LEU A 29 2.538 -3.860 9.049 1.00 0.00 O ATOM 415 CB LEU A 29 0.280 -5.650 8.276 1.00 0.00 C ATOM 416 CG LEU A 29 -0.866 -6.275 7.481 1.00 0.00 C ATOM 417 CD1 LEU A 29 -2.157 -6.230 8.283 1.00 0.00 C ATOM 418 CD2 LEU A 29 -1.037 -5.582 6.139 1.00 0.00 C ATOM 0 H LEU A 29 1.610 -7.512 7.223 1.00 0.00 H new ATOM 0 HA LEU A 29 1.404 -4.683 6.727 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.493 -6.287 9.135 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.054 -4.689 8.667 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.619 -7.319 7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.962 -6.679 7.702 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.027 -6.784 9.212 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.408 -5.194 8.511 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.859 -6.045 5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.257 -4.527 6.300 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.118 -5.677 5.561 1.00 0.00 H new ATOM 430 N ASP A 30 3.742 -5.693 8.555 1.00 0.00 N ATOM 431 CA ASP A 30 4.799 -5.395 9.511 1.00 0.00 C ATOM 432 C ASP A 30 5.907 -4.571 8.878 1.00 0.00 C ATOM 433 O ASP A 30 6.560 -3.776 9.550 1.00 0.00 O ATOM 434 CB ASP A 30 5.414 -6.692 10.054 1.00 0.00 C ATOM 435 CG ASP A 30 4.398 -7.661 10.615 1.00 0.00 C ATOM 436 OD1 ASP A 30 3.844 -8.468 9.836 1.00 0.00 O ATOM 437 OD2 ASP A 30 4.166 -7.651 11.837 1.00 0.00 O ATOM 0 H ASP A 30 3.906 -6.528 7.993 1.00 0.00 H new ATOM 0 HA ASP A 30 4.344 -4.824 10.321 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.968 -7.183 9.254 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.134 -6.443 10.834 1.00 0.00 H new ATOM 442 N LYS A 31 6.116 -4.754 7.583 1.00 0.00 N ATOM 443 CA LYS A 31 7.293 -4.208 6.941 1.00 0.00 C ATOM 444 C LYS A 31 7.054 -2.758 6.531 1.00 0.00 C ATOM 445 O LYS A 31 5.966 -2.388 6.082 1.00 0.00 O ATOM 446 CB LYS A 31 7.701 -5.103 5.766 1.00 0.00 C ATOM 447 CG LYS A 31 7.101 -4.738 4.425 1.00 0.00 C ATOM 448 CD LYS A 31 7.102 -5.911 3.471 1.00 0.00 C ATOM 449 CE LYS A 31 8.506 -6.292 3.007 1.00 0.00 C ATOM 450 NZ LYS A 31 9.290 -7.031 4.040 1.00 0.00 N ATOM 0 H LYS A 31 5.491 -5.271 6.965 1.00 0.00 H new ATOM 0 HA LYS A 31 8.127 -4.195 7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.787 -5.081 5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.422 -6.130 6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.079 -4.387 4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.664 -3.913 3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.639 -6.770 3.957 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.490 -5.668 2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.430 -6.907 2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.047 -5.388 2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.779 -7.834 3.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.991 -6.392 4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.647 -7.382 4.778 1.00 0.00 H new ATOM 464 N SER A 32 8.066 -1.935 6.722 1.00 0.00 N ATOM 465 CA SER A 32 7.933 -0.505 6.525 1.00 0.00 C ATOM 466 C SER A 32 8.151 -0.136 5.059 1.00 0.00 C ATOM 467 O SER A 32 9.034 -0.681 4.407 1.00 0.00 O ATOM 468 CB SER A 32 8.932 0.231 7.423 1.00 0.00 C ATOM 469 OG SER A 32 8.813 -0.200 8.769 1.00 0.00 O ATOM 0 H SER A 32 8.996 -2.235 7.015 1.00 0.00 H new ATOM 0 HA SER A 32 6.921 -0.203 6.796 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.947 0.053 7.068 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.758 1.305 7.364 1.00 0.00 H new ATOM 0 HG SER A 32 9.461 0.281 9.325 1.00 0.00 H new ATOM 475 N PHE A 33 7.332 0.776 4.547 1.00 0.00 N ATOM 476 CA PHE A 33 7.460 1.248 3.171 1.00 0.00 C ATOM 477 C PHE A 33 8.835 1.847 2.939 1.00 0.00 C ATOM 478 O PHE A 33 9.544 1.477 2.004 1.00 0.00 O ATOM 479 CB PHE A 33 6.391 2.298 2.858 1.00 0.00 C ATOM 480 CG PHE A 33 5.256 1.789 2.011 1.00 0.00 C ATOM 481 CD1 PHE A 33 5.504 1.185 0.786 1.00 0.00 C ATOM 482 CD2 PHE A 33 3.943 1.930 2.427 1.00 0.00 C ATOM 483 CE1 PHE A 33 4.465 0.729 -0.002 1.00 0.00 C ATOM 484 CE2 PHE A 33 2.900 1.476 1.642 1.00 0.00 C ATOM 485 CZ PHE A 33 3.162 0.875 0.426 1.00 0.00 C ATOM 0 H PHE A 33 6.567 1.206 5.067 1.00 0.00 H new ATOM 0 HA PHE A 33 7.324 0.392 2.510 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.987 2.680 3.796 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.862 3.139 2.348 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.522 1.070 0.445 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.731 2.400 3.376 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.673 0.259 -0.952 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.880 1.591 1.979 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.348 0.520 -0.188 1.00 0.00 H new ATOM 495 N THR A 34 9.207 2.754 3.816 1.00 0.00 N ATOM 496 CA THR A 34 10.459 3.466 3.699 1.00 0.00 C ATOM 497 C THR A 34 11.650 2.543 3.965 1.00 0.00 C ATOM 498 O THR A 34 12.706 2.687 3.354 1.00 0.00 O ATOM 499 CB THR A 34 10.474 4.650 4.685 1.00 0.00 C ATOM 500 OG1 THR A 34 10.176 4.179 6.007 1.00 0.00 O ATOM 501 CG2 THR A 34 9.445 5.702 4.288 1.00 0.00 C ATOM 0 H THR A 34 8.650 3.018 4.629 1.00 0.00 H new ATOM 0 HA THR A 34 10.548 3.839 2.679 1.00 0.00 H new ATOM 0 HB THR A 34 11.466 5.102 4.662 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.188 4.933 6.633 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.475 6.527 4.999 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.673 6.075 3.290 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.450 5.257 4.291 1.00 0.00 H new ATOM 509 N ASP A 35 11.461 1.583 4.867 1.00 0.00 N ATOM 510 CA ASP A 35 12.554 0.707 5.291 1.00 0.00 C ATOM 511 C ASP A 35 12.613 -0.573 4.454 1.00 0.00 C ATOM 512 O ASP A 35 13.521 -0.757 3.647 1.00 0.00 O ATOM 513 CB ASP A 35 12.399 0.366 6.778 1.00 0.00 C ATOM 514 CG ASP A 35 13.561 -0.438 7.330 1.00 0.00 C ATOM 515 OD1 ASP A 35 14.684 0.103 7.415 1.00 0.00 O ATOM 516 OD2 ASP A 35 13.351 -1.606 7.709 1.00 0.00 O ATOM 0 H ASP A 35 10.566 1.391 5.318 1.00 0.00 H new ATOM 0 HA ASP A 35 13.492 1.240 5.137 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.301 1.290 7.348 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.476 -0.196 6.921 1.00 0.00 H new ATOM 521 N ASP A 36 11.621 -1.434 4.631 1.00 0.00 N ATOM 522 CA ASP A 36 11.565 -2.723 3.938 1.00 0.00 C ATOM 523 C ASP A 36 11.305 -2.560 2.449 1.00 0.00 C ATOM 524 O ASP A 36 12.060 -3.064 1.621 1.00 0.00 O ATOM 525 CB ASP A 36 10.456 -3.595 4.512 1.00 0.00 C ATOM 526 CG ASP A 36 10.887 -4.453 5.680 1.00 0.00 C ATOM 527 OD1 ASP A 36 10.923 -3.939 6.812 1.00 0.00 O ATOM 528 OD2 ASP A 36 11.127 -5.662 5.470 1.00 0.00 O ATOM 0 H ASP A 36 10.833 -1.264 5.256 1.00 0.00 H new ATOM 0 HA ASP A 36 12.538 -3.192 4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.633 -2.955 4.830 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.071 -4.241 3.723 1.00 0.00 H new ATOM 533 N LEU A 37 10.212 -1.870 2.116 1.00 0.00 N ATOM 534 CA LEU A 37 9.798 -1.716 0.721 1.00 0.00 C ATOM 535 C LEU A 37 10.845 -0.937 -0.068 1.00 0.00 C ATOM 536 O LEU A 37 10.837 -0.957 -1.300 1.00 0.00 O ATOM 537 CB LEU A 37 8.433 -1.009 0.601 1.00 0.00 C ATOM 538 CG LEU A 37 7.185 -1.813 1.020 1.00 0.00 C ATOM 539 CD1 LEU A 37 7.035 -3.078 0.194 1.00 0.00 C ATOM 540 CD2 LEU A 37 7.218 -2.163 2.492 1.00 0.00 C ATOM 0 H LEU A 37 9.600 -1.411 2.791 1.00 0.00 H new ATOM 0 HA LEU A 37 9.700 -2.719 0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.468 -0.101 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.303 -0.699 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 37 6.322 -1.173 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.146 -3.620 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.938 -2.815 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.913 -3.709 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.323 -2.729 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.102 -2.765 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.252 -1.248 3.083 1.00 0.00 H new ATOM 552 N ASP A 38 11.734 -0.251 0.661 1.00 0.00 N ATOM 553 CA ASP A 38 12.818 0.530 0.064 1.00 0.00 C ATOM 554 C ASP A 38 12.234 1.665 -0.774 1.00 0.00 C ATOM 555 O ASP A 38 12.876 2.200 -1.678 1.00 0.00 O ATOM 556 CB ASP A 38 13.721 -0.381 -0.788 1.00 0.00 C ATOM 557 CG ASP A 38 15.081 0.227 -1.082 1.00 0.00 C ATOM 558 OD1 ASP A 38 15.937 0.242 -0.174 1.00 0.00 O ATOM 559 OD2 ASP A 38 15.311 0.676 -2.227 1.00 0.00 O ATOM 0 H ASP A 38 11.720 -0.223 1.681 1.00 0.00 H new ATOM 0 HA ASP A 38 13.429 0.965 0.855 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.859 -1.330 -0.271 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.218 -0.601 -1.730 1.00 0.00 H new ATOM 564 N VAL A 39 11.015 2.058 -0.431 1.00 0.00 N ATOM 565 CA VAL A 39 10.271 3.008 -1.229 1.00 0.00 C ATOM 566 C VAL A 39 10.502 4.431 -0.725 1.00 0.00 C ATOM 567 O VAL A 39 10.775 4.648 0.458 1.00 0.00 O ATOM 568 CB VAL A 39 8.756 2.674 -1.212 1.00 0.00 C ATOM 569 CG1 VAL A 39 8.028 3.419 -0.106 1.00 0.00 C ATOM 570 CG2 VAL A 39 8.132 2.966 -2.561 1.00 0.00 C ATOM 0 H VAL A 39 10.523 1.729 0.400 1.00 0.00 H new ATOM 0 HA VAL A 39 10.629 2.939 -2.256 1.00 0.00 H new ATOM 0 HB VAL A 39 8.655 1.608 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.970 3.158 -0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.451 3.141 0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.140 4.493 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.069 2.726 -2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.258 4.022 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.619 2.361 -3.326 1.00 0.00 H new ATOM 580 N ASP A 40 10.428 5.391 -1.632 1.00 0.00 N ATOM 581 CA ASP A 40 10.457 6.796 -1.253 1.00 0.00 C ATOM 582 C ASP A 40 9.030 7.302 -1.089 1.00 0.00 C ATOM 583 O ASP A 40 8.087 6.671 -1.579 1.00 0.00 O ATOM 584 CB ASP A 40 11.207 7.626 -2.305 1.00 0.00 C ATOM 585 CG ASP A 40 11.099 9.123 -2.062 1.00 0.00 C ATOM 586 OD1 ASP A 40 11.809 9.643 -1.178 1.00 0.00 O ATOM 587 OD2 ASP A 40 10.290 9.783 -2.753 1.00 0.00 O ATOM 0 H ASP A 40 10.347 5.225 -2.635 1.00 0.00 H new ATOM 0 HA ASP A 40 10.987 6.901 -0.306 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.258 7.338 -2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.811 7.394 -3.294 1.00 0.00 H new ATOM 592 N SER A 41 8.878 8.423 -0.395 1.00 0.00 N ATOM 593 CA SER A 41 7.579 9.033 -0.168 1.00 0.00 C ATOM 594 C SER A 41 6.774 9.141 -1.466 1.00 0.00 C ATOM 595 O SER A 41 5.625 8.690 -1.541 1.00 0.00 O ATOM 596 CB SER A 41 7.779 10.415 0.450 1.00 0.00 C ATOM 597 OG SER A 41 8.605 10.337 1.601 1.00 0.00 O ATOM 0 H SER A 41 9.654 8.933 0.026 1.00 0.00 H new ATOM 0 HA SER A 41 7.011 8.401 0.514 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.230 11.084 -0.283 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.813 10.842 0.718 1.00 0.00 H new ATOM 0 HG SER A 41 8.722 11.233 1.981 1.00 0.00 H new ATOM 603 N LEU A 42 7.390 9.697 -2.499 1.00 0.00 N ATOM 604 CA LEU A 42 6.696 9.912 -3.757 1.00 0.00 C ATOM 605 C LEU A 42 6.454 8.574 -4.447 1.00 0.00 C ATOM 606 O LEU A 42 5.364 8.321 -4.953 1.00 0.00 O ATOM 607 CB LEU A 42 7.511 10.849 -4.665 1.00 0.00 C ATOM 608 CG LEU A 42 6.701 11.691 -5.664 1.00 0.00 C ATOM 609 CD1 LEU A 42 5.891 10.811 -6.599 1.00 0.00 C ATOM 610 CD2 LEU A 42 5.795 12.663 -4.925 1.00 0.00 C ATOM 0 H LEU A 42 8.362 10.005 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 42 5.734 10.384 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.086 11.525 -4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.228 10.248 -5.224 1.00 0.00 H new ATOM 0 HG LEU A 42 7.404 12.261 -6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.330 11.437 -7.293 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.563 10.160 -7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.198 10.203 -6.017 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.228 13.252 -5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.106 12.107 -4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.400 13.328 -4.309 1.00 0.00 H new ATOM 622 N SER A 43 7.468 7.715 -4.425 1.00 0.00 N ATOM 623 CA SER A 43 7.401 6.417 -5.088 1.00 0.00 C ATOM 624 C SER A 43 6.138 5.650 -4.691 1.00 0.00 C ATOM 625 O SER A 43 5.367 5.209 -5.560 1.00 0.00 O ATOM 626 CB SER A 43 8.638 5.595 -4.738 1.00 0.00 C ATOM 627 OG SER A 43 9.821 6.333 -4.975 1.00 0.00 O ATOM 0 H SER A 43 8.353 7.897 -3.951 1.00 0.00 H new ATOM 0 HA SER A 43 7.365 6.589 -6.164 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.596 5.296 -3.691 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.651 4.680 -5.331 1.00 0.00 H new ATOM 0 HG SER A 43 10.600 5.786 -4.742 1.00 0.00 H new ATOM 633 N MET A 44 5.910 5.518 -3.382 1.00 0.00 N ATOM 634 CA MET A 44 4.746 4.790 -2.899 1.00 0.00 C ATOM 635 C MET A 44 3.467 5.480 -3.322 1.00 0.00 C ATOM 636 O MET A 44 2.576 4.843 -3.861 1.00 0.00 O ATOM 637 CB MET A 44 4.765 4.572 -1.378 1.00 0.00 C ATOM 638 CG MET A 44 5.011 5.810 -0.533 1.00 0.00 C ATOM 639 SD MET A 44 5.250 5.374 1.201 1.00 0.00 S ATOM 640 CE MET A 44 5.921 6.884 1.879 1.00 0.00 C ATOM 0 H MET A 44 6.509 5.901 -2.651 1.00 0.00 H new ATOM 0 HA MET A 44 4.786 3.802 -3.358 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.811 4.137 -1.081 1.00 0.00 H new ATOM 0 HB3 MET A 44 5.536 3.838 -1.145 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.890 6.338 -0.903 1.00 0.00 H new ATOM 0 HG3 MET A 44 4.166 6.492 -0.627 1.00 0.00 H new ATOM 0 HE1 MET A 44 5.517 7.045 2.878 1.00 0.00 H new ATOM 0 HE2 MET A 44 7.007 6.807 1.935 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.649 7.723 1.238 1.00 0.00 H new ATOM 650 N VAL A 45 3.380 6.782 -3.125 1.00 0.00 N ATOM 651 CA VAL A 45 2.179 7.502 -3.520 1.00 0.00 C ATOM 652 C VAL A 45 1.890 7.313 -5.012 1.00 0.00 C ATOM 653 O VAL A 45 0.746 7.336 -5.439 1.00 0.00 O ATOM 654 CB VAL A 45 2.295 9.006 -3.189 1.00 0.00 C ATOM 655 CG1 VAL A 45 1.051 9.769 -3.619 1.00 0.00 C ATOM 656 CG2 VAL A 45 2.542 9.194 -1.704 1.00 0.00 C ATOM 0 H VAL A 45 4.110 7.356 -2.702 1.00 0.00 H new ATOM 0 HA VAL A 45 1.348 7.087 -2.950 1.00 0.00 H new ATOM 0 HB VAL A 45 3.140 9.409 -3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.167 10.824 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.913 9.662 -4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.181 9.368 -3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.622 10.258 -1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.713 8.766 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.468 8.693 -1.423 1.00 0.00 H new ATOM 666 N GLU A 46 2.923 7.057 -5.794 1.00 0.00 N ATOM 667 CA GLU A 46 2.761 6.983 -7.230 1.00 0.00 C ATOM 668 C GLU A 46 2.063 5.680 -7.643 1.00 0.00 C ATOM 669 O GLU A 46 0.906 5.701 -8.085 1.00 0.00 O ATOM 670 CB GLU A 46 4.139 7.114 -7.888 1.00 0.00 C ATOM 671 CG GLU A 46 4.099 7.447 -9.366 1.00 0.00 C ATOM 672 CD GLU A 46 4.275 6.234 -10.249 1.00 0.00 C ATOM 673 OE1 GLU A 46 5.430 5.784 -10.415 1.00 0.00 O ATOM 674 OE2 GLU A 46 3.265 5.743 -10.791 1.00 0.00 O ATOM 0 H GLU A 46 3.874 6.898 -5.461 1.00 0.00 H new ATOM 0 HA GLU A 46 2.123 7.800 -7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.704 7.888 -7.369 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.683 6.179 -7.753 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.148 7.925 -9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.883 8.170 -9.591 1.00 0.00 H new ATOM 681 N VAL A 47 2.705 4.537 -7.429 1.00 0.00 N ATOM 682 CA VAL A 47 2.116 3.294 -7.897 1.00 0.00 C ATOM 683 C VAL A 47 1.156 2.707 -6.860 1.00 0.00 C ATOM 684 O VAL A 47 0.256 1.947 -7.201 1.00 0.00 O ATOM 685 CB VAL A 47 3.191 2.259 -8.298 1.00 0.00 C ATOM 686 CG1 VAL A 47 2.560 1.053 -8.977 1.00 0.00 C ATOM 687 CG2 VAL A 47 4.227 2.893 -9.216 1.00 0.00 C ATOM 0 H VAL A 47 3.602 4.447 -6.951 1.00 0.00 H new ATOM 0 HA VAL A 47 1.543 3.533 -8.793 1.00 0.00 H new ATOM 0 HB VAL A 47 3.687 1.921 -7.388 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.338 0.340 -9.249 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.856 0.578 -8.294 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.033 1.375 -9.875 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.976 2.149 -9.488 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.737 3.261 -10.117 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.710 3.723 -8.701 1.00 0.00 H new ATOM 697 N VAL A 48 1.300 3.094 -5.598 1.00 0.00 N ATOM 698 CA VAL A 48 0.406 2.582 -4.565 1.00 0.00 C ATOM 699 C VAL A 48 -0.930 3.334 -4.600 1.00 0.00 C ATOM 700 O VAL A 48 -1.945 2.829 -4.127 1.00 0.00 O ATOM 701 CB VAL A 48 1.046 2.634 -3.154 1.00 0.00 C ATOM 702 CG1 VAL A 48 0.152 1.992 -2.106 1.00 0.00 C ATOM 703 CG2 VAL A 48 2.403 1.946 -3.164 1.00 0.00 C ATOM 0 H VAL A 48 2.011 3.747 -5.269 1.00 0.00 H new ATOM 0 HA VAL A 48 0.220 1.530 -4.781 1.00 0.00 H new ATOM 0 HB VAL A 48 1.172 3.684 -2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.636 2.049 -1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.802 2.519 -2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.020 0.947 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.841 1.990 -2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.281 0.904 -3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.061 2.450 -3.872 1.00 0.00 H new ATOM 713 N VAL A 49 -0.940 4.528 -5.194 1.00 0.00 N ATOM 714 CA VAL A 49 -2.202 5.191 -5.509 1.00 0.00 C ATOM 715 C VAL A 49 -2.826 4.524 -6.731 1.00 0.00 C ATOM 716 O VAL A 49 -4.044 4.372 -6.826 1.00 0.00 O ATOM 717 CB VAL A 49 -2.029 6.713 -5.731 1.00 0.00 C ATOM 718 CG1 VAL A 49 -3.103 7.279 -6.648 1.00 0.00 C ATOM 719 CG2 VAL A 49 -2.057 7.435 -4.393 1.00 0.00 C ATOM 0 H VAL A 49 -0.104 5.047 -5.462 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.868 5.083 -4.653 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.065 6.870 -6.216 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.944 8.350 -6.777 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.050 6.785 -7.618 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.085 7.108 -6.207 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.935 8.506 -4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.011 7.249 -3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.245 7.068 -3.765 1.00 0.00 H new ATOM 729 N ALA A 50 -1.986 4.079 -7.656 1.00 0.00 N ATOM 730 CA ALA A 50 -2.468 3.221 -8.730 1.00 0.00 C ATOM 731 C ALA A 50 -3.088 1.942 -8.143 1.00 0.00 C ATOM 732 O ALA A 50 -3.937 1.303 -8.766 1.00 0.00 O ATOM 733 CB ALA A 50 -1.342 2.885 -9.694 1.00 0.00 C ATOM 0 H ALA A 50 -0.989 4.292 -7.686 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.237 3.755 -9.288 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.723 2.243 -10.489 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.948 3.804 -10.127 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.547 2.366 -9.158 1.00 0.00 H new ATOM 739 N ALA A 51 -2.662 1.589 -6.926 1.00 0.00 N ATOM 740 CA ALA A 51 -3.184 0.417 -6.226 1.00 0.00 C ATOM 741 C ALA A 51 -4.477 0.722 -5.483 1.00 0.00 C ATOM 742 O ALA A 51 -5.354 -0.137 -5.392 1.00 0.00 O ATOM 743 CB ALA A 51 -2.157 -0.131 -5.246 1.00 0.00 C ATOM 0 H ALA A 51 -1.952 2.104 -6.405 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.397 -0.332 -6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.569 -1.003 -4.737 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.255 -0.419 -5.787 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.910 0.635 -4.511 1.00 0.00 H new ATOM 749 N GLU A 52 -4.610 1.941 -4.962 1.00 0.00 N ATOM 750 CA GLU A 52 -5.778 2.282 -4.161 1.00 0.00 C ATOM 751 C GLU A 52 -7.028 2.212 -5.027 1.00 0.00 C ATOM 752 O GLU A 52 -8.018 1.561 -4.681 1.00 0.00 O ATOM 753 CB GLU A 52 -5.653 3.679 -3.514 1.00 0.00 C ATOM 754 CG GLU A 52 -5.589 4.829 -4.505 1.00 0.00 C ATOM 755 CD GLU A 52 -6.187 6.122 -3.978 1.00 0.00 C ATOM 756 OE1 GLU A 52 -7.243 6.066 -3.307 1.00 0.00 O ATOM 757 OE2 GLU A 52 -5.611 7.196 -4.241 1.00 0.00 O ATOM 0 H GLU A 52 -3.934 2.696 -5.079 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.849 1.558 -3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.503 3.835 -2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.756 3.700 -2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.548 5.005 -4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.113 4.541 -5.416 1.00 0.00 H new ATOM 764 N GLU A 53 -6.949 2.830 -6.192 1.00 0.00 N ATOM 765 CA GLU A 53 -8.110 2.988 -7.040 1.00 0.00 C ATOM 766 C GLU A 53 -8.528 1.674 -7.700 1.00 0.00 C ATOM 767 O GLU A 53 -9.684 1.516 -8.087 1.00 0.00 O ATOM 768 CB GLU A 53 -7.845 4.042 -8.101 1.00 0.00 C ATOM 769 CG GLU A 53 -7.417 5.388 -7.539 1.00 0.00 C ATOM 770 CD GLU A 53 -7.387 6.476 -8.594 1.00 0.00 C ATOM 771 OE1 GLU A 53 -8.451 7.076 -8.860 1.00 0.00 O ATOM 772 OE2 GLU A 53 -6.306 6.738 -9.167 1.00 0.00 O ATOM 0 H GLU A 53 -6.090 3.230 -6.570 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.934 3.310 -6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.070 3.678 -8.775 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.747 4.178 -8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.101 5.679 -6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.428 5.293 -7.092 1.00 0.00 H new ATOM 779 N ARG A 54 -7.606 0.721 -7.818 1.00 0.00 N ATOM 780 CA ARG A 54 -7.937 -0.553 -8.457 1.00 0.00 C ATOM 781 C ARG A 54 -8.658 -1.486 -7.488 1.00 0.00 C ATOM 782 O ARG A 54 -9.178 -2.522 -7.894 1.00 0.00 O ATOM 783 CB ARG A 54 -6.705 -1.251 -9.053 1.00 0.00 C ATOM 784 CG ARG A 54 -5.617 -1.595 -8.051 1.00 0.00 C ATOM 785 CD ARG A 54 -4.554 -2.495 -8.668 1.00 0.00 C ATOM 786 NE ARG A 54 -3.999 -1.937 -9.900 1.00 0.00 N ATOM 787 CZ ARG A 54 -2.897 -2.388 -10.497 1.00 0.00 C ATOM 788 NH1 ARG A 54 -2.235 -3.428 -9.996 1.00 0.00 N ATOM 789 NH2 ARG A 54 -2.470 -1.811 -11.612 1.00 0.00 N ATOM 0 H ARG A 54 -6.644 0.801 -7.488 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.608 -0.317 -9.283 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.028 -2.168 -9.545 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.279 -0.608 -9.824 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.153 -0.678 -7.687 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.060 -2.092 -7.188 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.750 -2.650 -7.948 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.987 -3.473 -8.878 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.487 -1.152 -10.330 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.571 -3.886 -9.149 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.392 -3.767 -10.459 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.985 -1.025 -12.009 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.627 -2.153 -12.073 1.00 0.00 H new ATOM 803 N PHE A 55 -8.678 -1.120 -6.210 1.00 0.00 N ATOM 804 CA PHE A 55 -9.483 -1.833 -5.220 1.00 0.00 C ATOM 805 C PHE A 55 -10.701 -0.997 -4.857 1.00 0.00 C ATOM 806 O PHE A 55 -11.491 -1.369 -3.988 1.00 0.00 O ATOM 807 CB PHE A 55 -8.665 -2.147 -3.962 1.00 0.00 C ATOM 808 CG PHE A 55 -7.701 -3.286 -4.137 1.00 0.00 C ATOM 809 CD1 PHE A 55 -8.144 -4.597 -4.040 1.00 0.00 C ATOM 810 CD2 PHE A 55 -6.364 -3.051 -4.402 1.00 0.00 C ATOM 811 CE1 PHE A 55 -7.269 -5.651 -4.208 1.00 0.00 C ATOM 812 CE2 PHE A 55 -5.483 -4.101 -4.569 1.00 0.00 C ATOM 813 CZ PHE A 55 -5.938 -5.404 -4.473 1.00 0.00 C ATOM 0 H PHE A 55 -8.147 -0.334 -5.834 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.805 -2.779 -5.654 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.111 -1.256 -3.668 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.347 -2.382 -3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.185 -4.795 -3.831 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.005 -2.035 -4.479 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.626 -6.668 -4.132 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.441 -3.906 -4.774 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.252 -6.227 -4.605 1.00 0.00 H new ATOM 823 N ASP A 56 -10.835 0.133 -5.549 1.00 0.00 N ATOM 824 CA ASP A 56 -11.916 1.090 -5.325 1.00 0.00 C ATOM 825 C ASP A 56 -11.938 1.570 -3.885 1.00 0.00 C ATOM 826 O ASP A 56 -12.807 1.201 -3.095 1.00 0.00 O ATOM 827 CB ASP A 56 -13.282 0.519 -5.727 1.00 0.00 C ATOM 828 CG ASP A 56 -13.394 0.303 -7.222 1.00 0.00 C ATOM 829 OD1 ASP A 56 -13.517 1.303 -7.964 1.00 0.00 O ATOM 830 OD2 ASP A 56 -13.345 -0.864 -7.666 1.00 0.00 O ATOM 0 H ASP A 56 -10.190 0.412 -6.288 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.717 1.947 -5.968 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.444 -0.428 -5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.069 1.199 -5.400 1.00 0.00 H new ATOM 835 N VAL A 57 -10.945 2.368 -3.546 1.00 0.00 N ATOM 836 CA VAL A 57 -10.862 2.996 -2.244 1.00 0.00 C ATOM 837 C VAL A 57 -10.548 4.470 -2.446 1.00 0.00 C ATOM 838 O VAL A 57 -10.216 4.878 -3.562 1.00 0.00 O ATOM 839 CB VAL A 57 -9.771 2.333 -1.375 1.00 0.00 C ATOM 840 CG1 VAL A 57 -8.399 2.631 -1.942 1.00 0.00 C ATOM 841 CG2 VAL A 57 -9.854 2.781 0.076 1.00 0.00 C ATOM 0 H VAL A 57 -10.171 2.599 -4.168 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.812 2.878 -1.723 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.941 1.256 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.638 2.158 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.332 2.241 -2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.237 3.709 -1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.069 2.292 0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.725 3.862 0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.828 2.511 0.485 1.00 0.00 H new ATOM 851 N LYS A 58 -10.695 5.274 -1.407 1.00 0.00 N ATOM 852 CA LYS A 58 -10.364 6.683 -1.505 1.00 0.00 C ATOM 853 C LYS A 58 -9.340 7.070 -0.441 1.00 0.00 C ATOM 854 O LYS A 58 -9.654 7.093 0.751 1.00 0.00 O ATOM 855 CB LYS A 58 -11.627 7.543 -1.344 1.00 0.00 C ATOM 856 CG LYS A 58 -12.773 7.159 -2.275 1.00 0.00 C ATOM 857 CD LYS A 58 -13.912 6.480 -1.520 1.00 0.00 C ATOM 858 CE LYS A 58 -15.102 6.210 -2.433 1.00 0.00 C ATOM 859 NZ LYS A 58 -16.280 5.669 -1.694 1.00 0.00 N ATOM 0 H LYS A 58 -11.039 4.978 -0.493 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.934 6.862 -2.490 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.973 7.470 -0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.366 8.587 -1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.149 8.051 -2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.402 6.490 -3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.559 5.541 -1.093 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.226 7.110 -0.688 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.386 7.134 -2.936 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.808 5.502 -3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.146 5.848 -2.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.163 4.645 -1.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.354 6.137 -0.768 1.00 0.00 H new ATOM 873 N ILE A 59 -8.121 7.371 -0.868 1.00 0.00 N ATOM 874 CA ILE A 59 -7.107 7.909 0.033 1.00 0.00 C ATOM 875 C ILE A 59 -6.384 9.089 -0.615 1.00 0.00 C ATOM 876 O ILE A 59 -6.062 9.057 -1.798 1.00 0.00 O ATOM 877 CB ILE A 59 -6.075 6.836 0.489 1.00 0.00 C ATOM 878 CG1 ILE A 59 -4.937 7.495 1.274 1.00 0.00 C ATOM 879 CG2 ILE A 59 -5.519 6.057 -0.691 1.00 0.00 C ATOM 880 CD1 ILE A 59 -3.894 6.530 1.786 1.00 0.00 C ATOM 0 H ILE A 59 -7.809 7.252 -1.832 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.633 8.249 0.925 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.594 6.130 1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.450 8.232 0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.361 8.036 2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.802 5.318 -0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.334 5.552 -1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.022 6.742 -1.377 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.126 7.080 2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.364 5.807 2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.439 6.006 0.945 1.00 0.00 H new ATOM 892 N PRO A 60 -6.181 10.175 0.148 1.00 0.00 N ATOM 893 CA PRO A 60 -5.424 11.336 -0.320 1.00 0.00 C ATOM 894 C PRO A 60 -3.941 11.030 -0.537 1.00 0.00 C ATOM 895 O PRO A 60 -3.365 10.170 0.137 1.00 0.00 O ATOM 896 CB PRO A 60 -5.583 12.364 0.802 1.00 0.00 C ATOM 897 CG PRO A 60 -6.007 11.592 2.006 1.00 0.00 C ATOM 898 CD PRO A 60 -6.702 10.356 1.511 1.00 0.00 C ATOM 0 HA PRO A 60 -5.793 11.677 -1.287 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.646 12.890 0.985 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.326 13.117 0.539 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.145 11.330 2.620 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.674 12.186 2.630 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.480 9.494 2.141 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.785 10.480 1.511 1.00 0.00 H new ATOM 906 N ASP A 61 -3.337 11.760 -1.479 1.00 0.00 N ATOM 907 CA ASP A 61 -1.911 11.629 -1.806 1.00 0.00 C ATOM 908 C ASP A 61 -1.056 11.683 -0.546 1.00 0.00 C ATOM 909 O ASP A 61 -0.178 10.840 -0.329 1.00 0.00 O ATOM 910 CB ASP A 61 -1.471 12.769 -2.741 1.00 0.00 C ATOM 911 CG ASP A 61 -2.356 12.922 -3.961 1.00 0.00 C ATOM 912 OD1 ASP A 61 -3.544 13.286 -3.797 1.00 0.00 O ATOM 913 OD2 ASP A 61 -1.865 12.716 -5.088 1.00 0.00 O ATOM 0 H ASP A 61 -3.823 12.461 -2.039 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.773 10.666 -2.298 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.468 13.706 -2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.446 12.588 -3.065 1.00 0.00 H new ATOM 918 N ASP A 62 -1.342 12.681 0.284 1.00 0.00 N ATOM 919 CA ASP A 62 -0.570 12.949 1.493 1.00 0.00 C ATOM 920 C ASP A 62 -0.449 11.731 2.389 1.00 0.00 C ATOM 921 O ASP A 62 0.633 11.428 2.881 1.00 0.00 O ATOM 922 CB ASP A 62 -1.196 14.096 2.294 1.00 0.00 C ATOM 923 CG ASP A 62 -0.677 15.452 1.874 1.00 0.00 C ATOM 924 OD1 ASP A 62 -1.138 15.983 0.843 1.00 0.00 O ATOM 925 OD2 ASP A 62 0.202 15.991 2.582 1.00 0.00 O ATOM 0 H ASP A 62 -2.117 13.328 0.137 1.00 0.00 H new ATOM 0 HA ASP A 62 0.430 13.227 1.161 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.279 14.072 2.170 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.993 13.946 3.354 1.00 0.00 H new ATOM 930 N ASP A 63 -1.547 11.028 2.581 1.00 0.00 N ATOM 931 CA ASP A 63 -1.595 9.950 3.553 1.00 0.00 C ATOM 932 C ASP A 63 -0.634 8.814 3.211 1.00 0.00 C ATOM 933 O ASP A 63 -0.056 8.220 4.115 1.00 0.00 O ATOM 934 CB ASP A 63 -3.024 9.430 3.717 1.00 0.00 C ATOM 935 CG ASP A 63 -3.859 10.328 4.613 1.00 0.00 C ATOM 936 OD1 ASP A 63 -3.920 11.549 4.359 1.00 0.00 O ATOM 937 OD2 ASP A 63 -4.437 9.823 5.596 1.00 0.00 O ATOM 0 H ASP A 63 -2.420 11.183 2.077 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.266 10.364 4.506 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.497 9.355 2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.998 8.424 4.136 1.00 0.00 H new ATOM 942 N VAL A 64 -0.418 8.533 1.919 1.00 0.00 N ATOM 943 CA VAL A 64 0.455 7.420 1.538 1.00 0.00 C ATOM 944 C VAL A 64 1.912 7.721 1.902 1.00 0.00 C ATOM 945 O VAL A 64 2.621 6.856 2.398 1.00 0.00 O ATOM 946 CB VAL A 64 0.368 7.066 0.030 1.00 0.00 C ATOM 947 CG1 VAL A 64 1.064 5.742 -0.247 1.00 0.00 C ATOM 948 CG2 VAL A 64 -1.080 7.008 -0.447 1.00 0.00 C ATOM 0 H VAL A 64 -0.825 9.048 1.138 1.00 0.00 H new ATOM 0 HA VAL A 64 0.100 6.556 2.101 1.00 0.00 H new ATOM 0 HB VAL A 64 0.874 7.856 -0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.993 5.509 -1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.113 5.816 0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.585 4.951 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.104 6.758 -1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.619 6.247 0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.553 7.978 -0.292 1.00 0.00 H new ATOM 958 N LYS A 65 2.356 8.953 1.673 1.00 0.00 N ATOM 959 CA LYS A 65 3.730 9.326 1.998 1.00 0.00 C ATOM 960 C LYS A 65 3.871 9.752 3.458 1.00 0.00 C ATOM 961 O LYS A 65 4.965 10.086 3.912 1.00 0.00 O ATOM 962 CB LYS A 65 4.263 10.411 1.044 1.00 0.00 C ATOM 963 CG LYS A 65 3.365 11.630 0.867 1.00 0.00 C ATOM 964 CD LYS A 65 3.420 12.560 2.063 1.00 0.00 C ATOM 965 CE LYS A 65 2.596 13.816 1.826 1.00 0.00 C ATOM 966 NZ LYS A 65 2.549 14.691 3.026 1.00 0.00 N ATOM 0 H LYS A 65 1.794 9.702 1.269 1.00 0.00 H new ATOM 0 HA LYS A 65 4.344 8.436 1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.233 10.747 1.410 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.430 9.960 0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.666 12.174 -0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.337 11.302 0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.049 12.041 2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.455 12.835 2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.018 14.372 0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.581 13.535 1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.643 15.202 3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.639 14.109 3.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.331 15.375 2.988 1.00 0.00 H new ATOM 980 N ASN A 66 2.764 9.738 4.189 1.00 0.00 N ATOM 981 CA ASN A 66 2.798 10.024 5.622 1.00 0.00 C ATOM 982 C ASN A 66 2.978 8.737 6.413 1.00 0.00 C ATOM 983 O ASN A 66 3.582 8.735 7.487 1.00 0.00 O ATOM 984 CB ASN A 66 1.524 10.745 6.079 1.00 0.00 C ATOM 985 CG ASN A 66 1.567 12.242 5.816 1.00 0.00 C ATOM 986 OD1 ASN A 66 2.254 12.712 4.911 1.00 0.00 O ATOM 987 ND2 ASN A 66 0.827 13.007 6.602 1.00 0.00 N ATOM 0 H ASN A 66 1.836 9.533 3.819 1.00 0.00 H new ATOM 0 HA ASN A 66 3.646 10.683 5.809 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.664 10.315 5.565 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.377 10.572 7.145 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.815 14.018 6.466 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.268 12.586 7.344 1.00 0.00 H new ATOM 994 N LEU A 67 2.455 7.647 5.878 1.00 0.00 N ATOM 995 CA LEU A 67 2.594 6.349 6.510 1.00 0.00 C ATOM 996 C LEU A 67 3.946 5.740 6.179 1.00 0.00 C ATOM 997 O LEU A 67 4.480 5.937 5.092 1.00 0.00 O ATOM 998 CB LEU A 67 1.437 5.428 6.110 1.00 0.00 C ATOM 999 CG LEU A 67 1.131 5.337 4.610 1.00 0.00 C ATOM 1000 CD1 LEU A 67 1.953 4.244 3.946 1.00 0.00 C ATOM 1001 CD2 LEU A 67 -0.348 5.085 4.389 1.00 0.00 C ATOM 0 H LEU A 67 1.929 7.637 5.004 1.00 0.00 H new ATOM 0 HA LEU A 67 2.548 6.476 7.592 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.655 4.425 6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.537 5.766 6.623 1.00 0.00 H new ATOM 0 HG LEU A 67 1.402 6.289 4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.714 4.204 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.014 4.460 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.721 3.284 4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.551 5.023 3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.633 4.148 4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.925 5.903 4.821 1.00 0.00 H new ATOM 1013 N LYS A 68 4.506 5.016 7.135 1.00 0.00 N ATOM 1014 CA LYS A 68 5.867 4.524 7.006 1.00 0.00 C ATOM 1015 C LYS A 68 5.910 3.011 6.829 1.00 0.00 C ATOM 1016 O LYS A 68 6.972 2.450 6.597 1.00 0.00 O ATOM 1017 CB LYS A 68 6.687 4.946 8.230 1.00 0.00 C ATOM 1018 CG LYS A 68 6.690 6.451 8.459 1.00 0.00 C ATOM 1019 CD LYS A 68 7.294 7.192 7.274 1.00 0.00 C ATOM 1020 CE LYS A 68 7.102 8.697 7.385 1.00 0.00 C ATOM 1021 NZ LYS A 68 7.622 9.244 8.669 1.00 0.00 N ATOM 0 H LYS A 68 4.041 4.757 8.005 1.00 0.00 H new ATOM 0 HA LYS A 68 6.301 4.965 6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.288 4.451 9.115 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.714 4.601 8.108 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.670 6.797 8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.256 6.682 9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.358 6.966 7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.836 6.835 6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.608 9.187 6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.041 8.932 7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.624 10.283 8.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.014 8.930 9.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.592 8.902 8.825 1.00 0.00 H new ATOM 1035 N THR A 69 4.762 2.351 6.921 1.00 0.00 N ATOM 1036 CA THR A 69 4.701 0.904 6.736 1.00 0.00 C ATOM 1037 C THR A 69 3.646 0.564 5.690 1.00 0.00 C ATOM 1038 O THR A 69 2.697 1.326 5.492 1.00 0.00 O ATOM 1039 CB THR A 69 4.363 0.161 8.054 1.00 0.00 C ATOM 1040 OG1 THR A 69 3.026 0.468 8.463 1.00 0.00 O ATOM 1041 CG2 THR A 69 5.321 0.559 9.161 1.00 0.00 C ATOM 0 H THR A 69 3.864 2.791 7.122 1.00 0.00 H new ATOM 0 HA THR A 69 5.687 0.576 6.406 1.00 0.00 H new ATOM 0 HB THR A 69 4.458 -0.909 7.869 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.043 0.888 9.348 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.063 0.024 10.075 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.340 0.307 8.868 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.249 1.632 9.336 1.00 0.00 H new ATOM 1049 N VAL A 70 3.804 -0.570 5.015 1.00 0.00 N ATOM 1050 CA VAL A 70 2.811 -0.995 4.030 1.00 0.00 C ATOM 1051 C VAL A 70 1.556 -1.508 4.739 1.00 0.00 C ATOM 1052 O VAL A 70 0.451 -1.491 4.187 1.00 0.00 O ATOM 1053 CB VAL A 70 3.385 -2.061 3.062 1.00 0.00 C ATOM 1054 CG1 VAL A 70 4.130 -3.134 3.820 1.00 0.00 C ATOM 1055 CG2 VAL A 70 2.296 -2.684 2.199 1.00 0.00 C ATOM 0 H VAL A 70 4.596 -1.203 5.127 1.00 0.00 H new ATOM 0 HA VAL A 70 2.540 -0.130 3.424 1.00 0.00 H new ATOM 0 HB VAL A 70 4.085 -1.550 2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.523 -3.869 3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.955 -2.683 4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.451 -3.625 4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.738 -3.426 1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.556 -3.165 2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.813 -1.907 1.606 1.00 0.00 H new ATOM 1065 N GLY A 71 1.728 -1.913 5.986 1.00 0.00 N ATOM 1066 CA GLY A 71 0.608 -2.378 6.770 1.00 0.00 C ATOM 1067 C GLY A 71 -0.296 -1.241 7.208 1.00 0.00 C ATOM 1068 O GLY A 71 -1.507 -1.417 7.351 1.00 0.00 O ATOM 0 H GLY A 71 2.626 -1.928 6.470 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.031 -3.095 6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.977 -2.906 7.649 1.00 0.00 H new ATOM 1072 N ASP A 72 0.298 -0.070 7.420 1.00 0.00 N ATOM 1073 CA ASP A 72 -0.458 1.129 7.770 1.00 0.00 C ATOM 1074 C ASP A 72 -1.374 1.498 6.611 1.00 0.00 C ATOM 1075 O ASP A 72 -2.566 1.752 6.789 1.00 0.00 O ATOM 1076 CB ASP A 72 0.504 2.287 8.067 1.00 0.00 C ATOM 1077 CG ASP A 72 -0.160 3.472 8.750 1.00 0.00 C ATOM 1078 OD1 ASP A 72 -1.002 4.138 8.118 1.00 0.00 O ATOM 1079 OD2 ASP A 72 0.197 3.764 9.915 1.00 0.00 O ATOM 0 H ASP A 72 1.306 0.074 7.355 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.057 0.935 8.660 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.314 1.922 8.698 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.954 2.623 7.133 1.00 0.00 H new ATOM 1084 N ALA A 73 -0.797 1.474 5.413 1.00 0.00 N ATOM 1085 CA ALA A 73 -1.526 1.783 4.188 1.00 0.00 C ATOM 1086 C ALA A 73 -2.732 0.881 4.007 1.00 0.00 C ATOM 1087 O ALA A 73 -3.822 1.343 3.673 1.00 0.00 O ATOM 1088 CB ALA A 73 -0.623 1.633 2.982 1.00 0.00 C ATOM 0 H ALA A 73 0.185 1.241 5.265 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.869 2.814 4.275 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.183 1.867 2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.222 2.316 3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.257 0.608 2.927 1.00 0.00 H new ATOM 1094 N THR A 74 -2.535 -0.408 4.233 1.00 0.00 N ATOM 1095 CA THR A 74 -3.581 -1.377 3.998 1.00 0.00 C ATOM 1096 C THR A 74 -4.718 -1.180 4.973 1.00 0.00 C ATOM 1097 O THR A 74 -5.873 -1.151 4.578 1.00 0.00 O ATOM 1098 CB THR A 74 -3.055 -2.811 4.098 1.00 0.00 C ATOM 1099 OG1 THR A 74 -1.870 -2.831 4.896 1.00 0.00 O ATOM 1100 CG2 THR A 74 -2.758 -3.371 2.722 1.00 0.00 C ATOM 0 H THR A 74 -1.660 -0.802 4.578 1.00 0.00 H new ATOM 0 HA THR A 74 -3.947 -1.219 2.983 1.00 0.00 H new ATOM 0 HB THR A 74 -3.820 -3.432 4.564 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.048 -2.399 5.757 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.385 -4.391 2.817 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.670 -3.372 2.125 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.005 -2.754 2.233 1.00 0.00 H new ATOM 1108 N LYS A 75 -4.384 -1.000 6.241 1.00 0.00 N ATOM 1109 CA LYS A 75 -5.398 -0.779 7.258 1.00 0.00 C ATOM 1110 C LYS A 75 -6.174 0.506 6.986 1.00 0.00 C ATOM 1111 O LYS A 75 -7.361 0.595 7.296 1.00 0.00 O ATOM 1112 CB LYS A 75 -4.765 -0.762 8.650 1.00 0.00 C ATOM 1113 CG LYS A 75 -4.407 -2.151 9.186 1.00 0.00 C ATOM 1114 CD LYS A 75 -5.636 -2.943 9.637 1.00 0.00 C ATOM 1115 CE LYS A 75 -6.540 -3.342 8.477 1.00 0.00 C ATOM 1116 NZ LYS A 75 -7.786 -3.997 8.951 1.00 0.00 N ATOM 0 H LYS A 75 -3.425 -1.003 6.588 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.108 -1.605 7.220 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.863 -0.151 8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.453 -0.281 9.345 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.883 -2.711 8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.719 -2.046 10.025 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.311 -3.840 10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.207 -2.345 10.348 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.794 -2.458 7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.003 -4.019 7.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.376 -4.254 8.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.545 -4.855 9.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.311 -3.341 9.564 1.00 0.00 H new ATOM 1130 N TYR A 76 -5.510 1.485 6.382 1.00 0.00 N ATOM 1131 CA TYR A 76 -6.172 2.715 5.976 1.00 0.00 C ATOM 1132 C TYR A 76 -7.107 2.439 4.798 1.00 0.00 C ATOM 1133 O TYR A 76 -8.279 2.824 4.814 1.00 0.00 O ATOM 1134 CB TYR A 76 -5.137 3.773 5.595 1.00 0.00 C ATOM 1135 CG TYR A 76 -5.702 5.169 5.479 1.00 0.00 C ATOM 1136 CD1 TYR A 76 -6.301 5.608 4.305 1.00 0.00 C ATOM 1137 CD2 TYR A 76 -5.623 6.052 6.546 1.00 0.00 C ATOM 1138 CE1 TYR A 76 -6.805 6.891 4.198 1.00 0.00 C ATOM 1139 CE2 TYR A 76 -6.119 7.337 6.448 1.00 0.00 C ATOM 1140 CZ TYR A 76 -6.710 7.754 5.272 1.00 0.00 C ATOM 1141 OH TYR A 76 -7.197 9.038 5.168 1.00 0.00 O ATOM 0 H TYR A 76 -4.514 1.449 6.164 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.760 3.092 6.813 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -4.342 3.774 6.341 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.682 3.496 4.644 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.374 4.936 3.462 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.166 5.729 7.469 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.270 7.217 3.279 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.045 8.013 7.287 1.00 0.00 H new ATOM 0 HH TYR A 76 -6.461 9.677 5.274 1.00 0.00 H new ATOM 1151 N ILE A 77 -6.579 1.755 3.785 1.00 0.00 N ATOM 1152 CA ILE A 77 -7.361 1.376 2.612 1.00 0.00 C ATOM 1153 C ILE A 77 -8.567 0.526 3.003 1.00 0.00 C ATOM 1154 O ILE A 77 -9.694 0.811 2.613 1.00 0.00 O ATOM 1155 CB ILE A 77 -6.498 0.604 1.584 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -5.520 1.561 0.901 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -7.371 -0.094 0.547 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.605 0.885 -0.096 1.00 0.00 C ATOM 0 H ILE A 77 -5.606 1.451 3.754 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.713 2.300 2.153 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.934 -0.162 2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.085 2.341 0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.914 2.052 1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.738 -0.628 -0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -8.034 -0.801 1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.967 0.647 0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.940 1.626 -0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.013 0.124 0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.202 0.418 -0.879 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.315 -0.493 3.805 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.326 -1.474 4.174 1.00 0.00 C ATOM 1172 C LEU A 78 -10.397 -0.884 5.088 1.00 0.00 C ATOM 1173 O LEU A 78 -11.496 -1.429 5.205 1.00 0.00 O ATOM 1174 CB LEU A 78 -8.646 -2.666 4.844 1.00 0.00 C ATOM 1175 CG LEU A 78 -7.564 -3.338 3.995 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -6.989 -4.541 4.725 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -8.141 -3.740 2.650 1.00 0.00 C ATOM 0 H LEU A 78 -7.400 -0.666 4.222 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.834 -1.798 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -8.200 -2.334 5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.405 -3.407 5.096 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.752 -2.631 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.221 -5.008 4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.550 -4.218 5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.783 -5.261 4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.367 -4.218 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.965 -4.438 2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.507 -2.854 2.131 1.00 0.00 H new ATOM 1189 N ASP A 79 -10.071 0.213 5.748 1.00 0.00 N ATOM 1190 CA ASP A 79 -11.016 0.876 6.638 1.00 0.00 C ATOM 1191 C ASP A 79 -11.944 1.797 5.850 1.00 0.00 C ATOM 1192 O ASP A 79 -13.049 2.118 6.290 1.00 0.00 O ATOM 1193 CB ASP A 79 -10.259 1.671 7.706 1.00 0.00 C ATOM 1194 CG ASP A 79 -11.176 2.292 8.738 1.00 0.00 C ATOM 1195 OD1 ASP A 79 -11.736 1.546 9.569 1.00 0.00 O ATOM 1196 OD2 ASP A 79 -11.312 3.531 8.747 1.00 0.00 O ATOM 0 H ASP A 79 -9.159 0.666 5.686 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.625 0.116 7.127 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.549 1.013 8.207 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.678 2.457 7.223 1.00 0.00 H new ATOM 1201 N HIS A 80 -11.502 2.200 4.665 1.00 0.00 N ATOM 1202 CA HIS A 80 -12.257 3.144 3.847 1.00 0.00 C ATOM 1203 C HIS A 80 -12.514 2.579 2.457 1.00 0.00 C ATOM 1204 O HIS A 80 -12.751 3.326 1.507 1.00 0.00 O ATOM 1205 CB HIS A 80 -11.496 4.464 3.717 1.00 0.00 C ATOM 1206 CG HIS A 80 -11.339 5.211 5.007 1.00 0.00 C ATOM 1207 ND1 HIS A 80 -12.215 6.188 5.435 1.00 0.00 N ATOM 1208 CD2 HIS A 80 -10.395 5.110 5.971 1.00 0.00 C ATOM 1209 CE1 HIS A 80 -11.812 6.654 6.602 1.00 0.00 C ATOM 1210 NE2 HIS A 80 -10.711 6.016 6.954 1.00 0.00 N ATOM 0 H HIS A 80 -10.625 1.888 4.248 1.00 0.00 H new ATOM 0 HA HIS A 80 -13.213 3.319 4.341 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.508 4.262 3.304 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -12.016 5.101 3.002 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.548 4.440 5.968 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.301 7.428 7.174 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -10.183 6.170 7.813 1.00 0.00 H new ATOM 1219 N GLN A 81 -12.469 1.263 2.344 1.00 0.00 N ATOM 1220 CA GLN A 81 -12.603 0.606 1.056 1.00 0.00 C ATOM 1221 C GLN A 81 -14.055 0.607 0.590 1.00 0.00 C ATOM 1222 O GLN A 81 -14.967 0.412 1.394 1.00 0.00 O ATOM 1223 CB GLN A 81 -12.067 -0.822 1.148 1.00 0.00 C ATOM 1224 CG GLN A 81 -12.927 -1.765 1.980 1.00 0.00 C ATOM 1225 CD GLN A 81 -12.286 -3.126 2.192 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -12.546 -3.800 3.189 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -11.441 -3.540 1.261 1.00 0.00 N ATOM 0 H GLN A 81 -12.340 0.627 3.131 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.019 1.158 0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.974 -1.228 0.141 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.064 -0.794 1.574 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.123 -1.308 2.950 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.891 -1.897 1.489 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.250 -2.954 0.448 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.981 -4.445 1.356 1.00 0.00 H new ATOM 1236 N ALA A 82 -14.246 0.829 -0.708 1.00 0.00 N ATOM 1237 CA ALA A 82 -15.573 0.873 -1.324 1.00 0.00 C ATOM 1238 C ALA A 82 -16.451 1.945 -0.692 1.00 0.00 C ATOM 1239 O ALA A 82 -17.338 1.596 0.115 1.00 0.00 O ATOM 1240 CB ALA A 82 -16.257 -0.486 -1.253 1.00 0.00 C ATOM 1241 OXT ALA A 82 -16.261 3.135 -1.021 1.00 0.00 O ATOM 0 H ALA A 82 -13.483 0.984 -1.366 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.432 1.133 -2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.241 -0.423 -1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.653 -1.225 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.367 -0.784 -0.210 1.00 0.00 H new TER 1247 ALA A 82