USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 486 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 47 SER OG : rot 180:sc= -0.107 USER MOD Set 1.2: A 52 GLN : amide:sc= -0.992 K(o=-1.1,f=-1.9) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0358 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 47:sc= 0.0459 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -117:sc= 0.807 USER MOD Single : A 16 ASN : amide:sc= 0.0568 K(o=0.057,f=-4.1!) USER MOD Single : A 17 TYR OH : rot 140:sc= 0.713 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.523 X(o=-0.52,f=-0.5) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -60:sc= 0.69 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0386 USER MOD Single : A 48 THR OG1 : rot -50:sc= 1.1 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.602 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc=-0.00918 X(o=-0.0092,f=-0.12) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.037 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.504 -13.060 -23.022 1.00 0.00 N ATOM 2 CA GLY A 1 15.517 -12.148 -22.475 1.00 0.00 C ATOM 3 C GLY A 1 14.130 -12.757 -22.423 1.00 0.00 C ATOM 4 O GLY A 1 13.252 -12.385 -23.202 1.00 0.00 O ATOM 0 H1 GLY A 1 17.435 -12.596 -23.036 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.552 -13.915 -22.431 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.234 -13.323 -23.991 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.818 -11.852 -21.470 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.490 -11.242 -23.080 1.00 0.00 H new ATOM 8 N SER A 2 13.932 -13.696 -21.504 1.00 0.00 N ATOM 9 CA SER A 2 12.643 -14.363 -21.357 1.00 0.00 C ATOM 10 C SER A 2 11.577 -13.383 -20.875 1.00 0.00 C ATOM 11 O SER A 2 11.848 -12.198 -20.684 1.00 0.00 O ATOM 12 CB SER A 2 12.758 -15.532 -20.378 1.00 0.00 C ATOM 13 OG SER A 2 11.732 -16.484 -20.597 1.00 0.00 O ATOM 0 H SER A 2 14.648 -14.013 -20.850 1.00 0.00 H new ATOM 0 HA SER A 2 12.346 -14.745 -22.334 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.731 -16.010 -20.490 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.701 -15.160 -19.355 1.00 0.00 H new ATOM 0 HG SER A 2 11.829 -17.222 -19.960 1.00 0.00 H new ATOM 19 N SER A 3 10.363 -13.889 -20.679 1.00 0.00 N ATOM 20 CA SER A 3 9.254 -13.059 -20.223 1.00 0.00 C ATOM 21 C SER A 3 9.480 -12.592 -18.788 1.00 0.00 C ATOM 22 O SER A 3 9.658 -11.402 -18.531 1.00 0.00 O ATOM 23 CB SER A 3 7.938 -13.833 -20.318 1.00 0.00 C ATOM 24 OG SER A 3 7.561 -14.033 -21.669 1.00 0.00 O ATOM 0 H SER A 3 10.123 -14.869 -20.829 1.00 0.00 H new ATOM 0 HA SER A 3 9.199 -12.182 -20.868 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.042 -14.797 -19.820 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.153 -13.287 -19.795 1.00 0.00 H new ATOM 0 HG SER A 3 6.718 -14.531 -21.703 1.00 0.00 H new ATOM 30 N GLY A 4 9.471 -13.540 -17.855 1.00 0.00 N ATOM 31 CA GLY A 4 9.676 -13.207 -16.458 1.00 0.00 C ATOM 32 C GLY A 4 8.421 -12.666 -15.801 1.00 0.00 C ATOM 33 O GLY A 4 8.491 -12.007 -14.763 1.00 0.00 O ATOM 0 H GLY A 4 9.325 -14.532 -18.042 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.010 -14.095 -15.921 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.473 -12.467 -16.377 1.00 0.00 H new ATOM 37 N SER A 5 7.271 -12.942 -16.408 1.00 0.00 N ATOM 38 CA SER A 5 5.996 -12.474 -15.878 1.00 0.00 C ATOM 39 C SER A 5 5.268 -13.595 -15.143 1.00 0.00 C ATOM 40 O SER A 5 4.767 -14.534 -15.760 1.00 0.00 O ATOM 41 CB SER A 5 5.117 -11.936 -17.009 1.00 0.00 C ATOM 42 OG SER A 5 5.189 -12.771 -18.152 1.00 0.00 O ATOM 0 H SER A 5 7.196 -13.487 -17.267 1.00 0.00 H new ATOM 0 HA SER A 5 6.198 -11.671 -15.170 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.084 -11.867 -16.669 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.434 -10.927 -17.272 1.00 0.00 H new ATOM 0 HG SER A 5 5.086 -13.707 -17.880 1.00 0.00 H new ATOM 48 N SER A 6 5.215 -13.488 -13.819 1.00 0.00 N ATOM 49 CA SER A 6 4.553 -14.494 -12.997 1.00 0.00 C ATOM 50 C SER A 6 3.054 -14.526 -13.280 1.00 0.00 C ATOM 51 O SER A 6 2.544 -15.472 -13.879 1.00 0.00 O ATOM 52 CB SER A 6 4.797 -14.213 -11.513 1.00 0.00 C ATOM 53 OG SER A 6 4.181 -15.197 -10.699 1.00 0.00 O ATOM 0 H SER A 6 5.622 -12.715 -13.293 1.00 0.00 H new ATOM 0 HA SER A 6 4.974 -15.467 -13.249 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.869 -14.192 -11.315 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.406 -13.228 -11.257 1.00 0.00 H new ATOM 0 HG SER A 6 4.353 -14.996 -9.755 1.00 0.00 H new ATOM 59 N GLY A 7 2.353 -13.484 -12.845 1.00 0.00 N ATOM 60 CA GLY A 7 0.920 -13.411 -13.060 1.00 0.00 C ATOM 61 C GLY A 7 0.160 -13.069 -11.794 1.00 0.00 C ATOM 62 O GLY A 7 -0.413 -13.948 -11.148 1.00 0.00 O ATOM 0 H GLY A 7 2.752 -12.688 -12.347 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.708 -12.660 -13.821 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.565 -14.366 -13.446 1.00 0.00 H new ATOM 66 N LEU A 8 0.155 -11.790 -11.436 1.00 0.00 N ATOM 67 CA LEU A 8 -0.539 -11.334 -10.237 1.00 0.00 C ATOM 68 C LEU A 8 -1.832 -10.610 -10.599 1.00 0.00 C ATOM 69 O LEU A 8 -2.107 -10.360 -11.772 1.00 0.00 O ATOM 70 CB LEU A 8 0.366 -10.409 -9.421 1.00 0.00 C ATOM 71 CG LEU A 8 1.690 -11.010 -8.949 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.714 -9.915 -8.695 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.479 -11.846 -7.695 1.00 0.00 C ATOM 0 H LEU A 8 0.624 -11.050 -11.959 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.790 -12.209 -9.637 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.585 -9.526 -10.021 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.189 -10.071 -8.546 1.00 0.00 H new ATOM 0 HG LEU A 8 2.072 -11.660 -9.736 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.650 -10.363 -8.360 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.887 -9.358 -9.616 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.340 -9.238 -7.927 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.432 -12.266 -7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.073 -11.217 -6.902 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.780 -12.654 -7.910 1.00 0.00 H new ATOM 85 N GLU A 9 -2.621 -10.274 -9.582 1.00 0.00 N ATOM 86 CA GLU A 9 -3.884 -9.578 -9.794 1.00 0.00 C ATOM 87 C GLU A 9 -3.669 -8.068 -9.858 1.00 0.00 C ATOM 88 O GLU A 9 -2.576 -7.575 -9.582 1.00 0.00 O ATOM 89 CB GLU A 9 -4.872 -9.916 -8.676 1.00 0.00 C ATOM 90 CG GLU A 9 -5.223 -11.392 -8.599 1.00 0.00 C ATOM 91 CD GLU A 9 -5.745 -11.798 -7.235 1.00 0.00 C ATOM 92 OE1 GLU A 9 -5.749 -10.943 -6.324 1.00 0.00 O ATOM 93 OE2 GLU A 9 -6.151 -12.968 -7.078 1.00 0.00 O ATOM 0 H GLU A 9 -2.407 -10.473 -8.605 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.297 -9.910 -10.747 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.449 -9.602 -7.722 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.786 -9.341 -8.824 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.974 -11.623 -9.354 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.339 -11.984 -8.837 1.00 0.00 H new ATOM 100 N GLN A 10 -4.719 -7.342 -10.225 1.00 0.00 N ATOM 101 CA GLN A 10 -4.645 -5.889 -10.327 1.00 0.00 C ATOM 102 C GLN A 10 -5.763 -5.229 -9.527 1.00 0.00 C ATOM 103 O GLN A 10 -6.945 -5.455 -9.790 1.00 0.00 O ATOM 104 CB GLN A 10 -4.725 -5.455 -11.792 1.00 0.00 C ATOM 105 CG GLN A 10 -3.495 -5.827 -12.605 1.00 0.00 C ATOM 106 CD GLN A 10 -3.546 -5.286 -14.020 1.00 0.00 C ATOM 107 OE1 GLN A 10 -4.098 -5.920 -14.920 1.00 0.00 O ATOM 108 NE2 GLN A 10 -2.968 -4.108 -14.225 1.00 0.00 N ATOM 0 H GLN A 10 -5.631 -7.735 -10.457 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.689 -5.569 -9.912 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.604 -5.910 -12.249 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.866 -4.375 -11.835 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.605 -5.445 -12.106 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.401 -6.912 -12.638 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.522 -3.617 -13.450 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.970 -3.694 -15.157 1.00 0.00 H new ATOM 117 N TYR A 11 -5.383 -4.413 -8.551 1.00 0.00 N ATOM 118 CA TYR A 11 -6.354 -3.723 -7.710 1.00 0.00 C ATOM 119 C TYR A 11 -6.276 -2.213 -7.916 1.00 0.00 C ATOM 120 O TYR A 11 -5.206 -1.665 -8.181 1.00 0.00 O ATOM 121 CB TYR A 11 -6.117 -4.061 -6.237 1.00 0.00 C ATOM 122 CG TYR A 11 -6.773 -5.351 -5.799 1.00 0.00 C ATOM 123 CD1 TYR A 11 -6.494 -6.549 -6.444 1.00 0.00 C ATOM 124 CD2 TYR A 11 -7.672 -5.371 -4.740 1.00 0.00 C ATOM 125 CE1 TYR A 11 -7.091 -7.730 -6.048 1.00 0.00 C ATOM 126 CE2 TYR A 11 -8.273 -6.547 -4.336 1.00 0.00 C ATOM 127 CZ TYR A 11 -7.979 -7.724 -4.993 1.00 0.00 C ATOM 128 OH TYR A 11 -8.577 -8.897 -4.594 1.00 0.00 O ATOM 0 H TYR A 11 -4.409 -4.213 -8.322 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.350 -4.060 -7.997 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.044 -4.129 -6.057 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.493 -3.244 -5.620 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -5.798 -6.557 -7.270 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.905 -4.451 -4.224 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -6.864 -8.653 -6.562 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.969 -6.545 -3.510 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.174 -8.719 -3.837 1.00 0.00 H new ATOM 138 N VAL A 12 -7.419 -1.546 -7.791 1.00 0.00 N ATOM 139 CA VAL A 12 -7.483 -0.099 -7.962 1.00 0.00 C ATOM 140 C VAL A 12 -7.686 0.603 -6.624 1.00 0.00 C ATOM 141 O VAL A 12 -8.465 0.150 -5.785 1.00 0.00 O ATOM 142 CB VAL A 12 -8.619 0.304 -8.919 1.00 0.00 C ATOM 143 CG1 VAL A 12 -8.680 1.817 -9.069 1.00 0.00 C ATOM 144 CG2 VAL A 12 -8.439 -0.367 -10.272 1.00 0.00 C ATOM 0 H VAL A 12 -8.313 -1.985 -7.572 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.531 0.212 -8.391 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.565 -0.033 -8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.489 2.083 -9.749 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.860 2.272 -8.095 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.734 2.181 -9.470 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.251 -0.071 -10.936 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.486 -0.062 -10.705 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.450 -1.450 -10.146 1.00 0.00 H new ATOM 154 N VAL A 13 -6.982 1.714 -6.431 1.00 0.00 N ATOM 155 CA VAL A 13 -7.086 2.481 -5.196 1.00 0.00 C ATOM 156 C VAL A 13 -8.492 3.042 -5.014 1.00 0.00 C ATOM 157 O VAL A 13 -9.187 3.330 -5.989 1.00 0.00 O ATOM 158 CB VAL A 13 -6.074 3.642 -5.169 1.00 0.00 C ATOM 159 CG1 VAL A 13 -6.066 4.311 -3.803 1.00 0.00 C ATOM 160 CG2 VAL A 13 -4.684 3.145 -5.536 1.00 0.00 C ATOM 0 H VAL A 13 -6.333 2.103 -7.115 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.863 1.796 -4.378 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.377 4.383 -5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.345 5.129 -3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.059 4.703 -3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.788 3.582 -3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.982 3.978 -5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.369 2.384 -4.822 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.704 2.716 -6.538 1.00 0.00 H new ATOM 170 N VAL A 14 -8.905 3.195 -3.760 1.00 0.00 N ATOM 171 CA VAL A 14 -10.228 3.723 -3.450 1.00 0.00 C ATOM 172 C VAL A 14 -10.130 5.073 -2.748 1.00 0.00 C ATOM 173 O VAL A 14 -11.020 5.914 -2.870 1.00 0.00 O ATOM 174 CB VAL A 14 -11.027 2.751 -2.562 1.00 0.00 C ATOM 175 CG1 VAL A 14 -11.410 1.505 -3.345 1.00 0.00 C ATOM 176 CG2 VAL A 14 -10.228 2.386 -1.320 1.00 0.00 C ATOM 0 H VAL A 14 -8.342 2.961 -2.942 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.749 3.847 -4.399 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.944 3.247 -2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.974 0.830 -2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.023 1.787 -4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.508 1.004 -3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.807 1.699 -0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.294 1.909 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.010 3.289 -0.749 1.00 0.00 H new ATOM 186 N SER A 15 -9.042 5.272 -2.011 1.00 0.00 N ATOM 187 CA SER A 15 -8.828 6.519 -1.285 1.00 0.00 C ATOM 188 C SER A 15 -7.422 7.057 -1.532 1.00 0.00 C ATOM 189 O SER A 15 -6.478 6.292 -1.723 1.00 0.00 O ATOM 190 CB SER A 15 -9.049 6.305 0.214 1.00 0.00 C ATOM 191 OG SER A 15 -8.555 7.402 0.963 1.00 0.00 O ATOM 0 H SER A 15 -8.295 4.586 -1.901 1.00 0.00 H new ATOM 0 HA SER A 15 -9.548 7.252 -1.650 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.113 6.174 0.413 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.550 5.389 0.532 1.00 0.00 H new ATOM 0 HG SER A 15 -7.829 7.099 1.547 1.00 0.00 H new ATOM 197 N ASN A 16 -7.292 8.380 -1.527 1.00 0.00 N ATOM 198 CA ASN A 16 -6.002 9.022 -1.751 1.00 0.00 C ATOM 199 C ASN A 16 -5.049 8.747 -0.591 1.00 0.00 C ATOM 200 O ASN A 16 -5.006 9.499 0.382 1.00 0.00 O ATOM 201 CB ASN A 16 -6.184 10.531 -1.929 1.00 0.00 C ATOM 202 CG ASN A 16 -6.959 11.159 -0.786 1.00 0.00 C ATOM 203 OD1 ASN A 16 -8.120 10.824 -0.551 1.00 0.00 O ATOM 204 ND2 ASN A 16 -6.318 12.075 -0.070 1.00 0.00 N ATOM 0 H ASN A 16 -8.064 9.028 -1.370 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.570 8.605 -2.660 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.206 11.006 -2.005 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.705 10.723 -2.867 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.788 12.532 0.711 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.356 12.321 -0.301 1.00 0.00 H new ATOM 211 N TYR A 17 -4.287 7.665 -0.703 1.00 0.00 N ATOM 212 CA TYR A 17 -3.336 7.289 0.336 1.00 0.00 C ATOM 213 C TYR A 17 -2.151 8.250 0.363 1.00 0.00 C ATOM 214 O TYR A 17 -1.818 8.873 -0.645 1.00 0.00 O ATOM 215 CB TYR A 17 -2.841 5.859 0.111 1.00 0.00 C ATOM 216 CG TYR A 17 -2.045 5.304 1.270 1.00 0.00 C ATOM 217 CD1 TYR A 17 -2.677 4.675 2.335 1.00 0.00 C ATOM 218 CD2 TYR A 17 -0.660 5.408 1.299 1.00 0.00 C ATOM 219 CE1 TYR A 17 -1.953 4.168 3.397 1.00 0.00 C ATOM 220 CE2 TYR A 17 0.073 4.902 2.356 1.00 0.00 C ATOM 221 CZ TYR A 17 -0.579 4.283 3.402 1.00 0.00 C ATOM 222 OH TYR A 17 0.146 3.778 4.457 1.00 0.00 O ATOM 0 H TYR A 17 -4.309 7.033 -1.503 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.847 7.343 1.297 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.698 5.212 -0.073 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.224 5.834 -0.787 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.753 4.581 2.333 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.147 5.893 0.481 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.460 3.684 4.219 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.149 4.991 2.363 1.00 0.00 H new ATOM 0 HH TYR A 17 0.963 3.354 4.120 1.00 0.00 H new ATOM 232 N LYS A 18 -1.518 8.364 1.526 1.00 0.00 N ATOM 233 CA LYS A 18 -0.369 9.247 1.688 1.00 0.00 C ATOM 234 C LYS A 18 0.855 8.466 2.156 1.00 0.00 C ATOM 235 O LYS A 18 0.798 7.737 3.147 1.00 0.00 O ATOM 236 CB LYS A 18 -0.691 10.359 2.689 1.00 0.00 C ATOM 237 CG LYS A 18 -1.087 9.846 4.062 1.00 0.00 C ATOM 238 CD LYS A 18 -2.193 10.687 4.675 1.00 0.00 C ATOM 239 CE LYS A 18 -1.632 11.760 5.596 1.00 0.00 C ATOM 240 NZ LYS A 18 -2.712 12.501 6.306 1.00 0.00 N ATOM 0 H LYS A 18 -1.781 7.856 2.370 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.145 9.693 0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.179 11.008 2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.501 10.971 2.292 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.418 8.810 3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.217 9.853 4.719 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.777 11.155 3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.872 10.044 5.235 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.966 11.300 6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.032 12.460 5.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.289 13.223 6.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.333 12.961 5.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.269 11.837 6.881 1.00 0.00 H new ATOM 254 N LYS A 19 1.962 8.625 1.439 1.00 0.00 N ATOM 255 CA LYS A 19 3.202 7.937 1.782 1.00 0.00 C ATOM 256 C LYS A 19 3.662 8.314 3.187 1.00 0.00 C ATOM 257 O LYS A 19 3.003 9.091 3.878 1.00 0.00 O ATOM 258 CB LYS A 19 4.295 8.278 0.768 1.00 0.00 C ATOM 259 CG LYS A 19 4.693 9.744 0.770 1.00 0.00 C ATOM 260 CD LYS A 19 5.456 10.117 -0.489 1.00 0.00 C ATOM 261 CE LYS A 19 6.357 11.320 -0.259 1.00 0.00 C ATOM 262 NZ LYS A 19 5.597 12.600 -0.308 1.00 0.00 N ATOM 0 H LYS A 19 2.026 9.224 0.616 1.00 0.00 H new ATOM 0 HA LYS A 19 3.013 6.864 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.176 7.671 0.978 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.951 8.005 -0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.800 10.364 0.852 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.308 9.953 1.645 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.057 9.268 -0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.751 10.337 -1.291 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.848 11.226 0.710 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.143 11.335 -1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.247 13.396 -0.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.149 12.702 -1.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.864 12.597 0.429 1.00 0.00 H new ATOM 276 N GLN A 20 4.796 7.759 3.602 1.00 0.00 N ATOM 277 CA GLN A 20 5.343 8.039 4.924 1.00 0.00 C ATOM 278 C GLN A 20 6.859 7.866 4.934 1.00 0.00 C ATOM 279 O GLN A 20 7.447 7.411 3.953 1.00 0.00 O ATOM 280 CB GLN A 20 4.707 7.119 5.967 1.00 0.00 C ATOM 281 CG GLN A 20 4.614 7.741 7.351 1.00 0.00 C ATOM 282 CD GLN A 20 3.552 7.089 8.214 1.00 0.00 C ATOM 283 OE1 GLN A 20 3.530 5.868 8.377 1.00 0.00 O ATOM 284 NE2 GLN A 20 2.662 7.901 8.773 1.00 0.00 N ATOM 0 H GLN A 20 5.353 7.113 3.042 1.00 0.00 H new ATOM 0 HA GLN A 20 5.112 9.075 5.173 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.707 6.843 5.634 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.287 6.199 6.030 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.581 7.659 7.848 1.00 0.00 H new ATOM 0 HG3 GLN A 20 4.395 8.804 7.253 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.717 8.907 8.612 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.923 7.519 9.364 1.00 0.00 H new ATOM 293 N GLU A 21 7.484 8.234 6.048 1.00 0.00 N ATOM 294 CA GLU A 21 8.932 8.120 6.183 1.00 0.00 C ATOM 295 C GLU A 21 9.400 6.706 5.851 1.00 0.00 C ATOM 296 O GLU A 21 10.398 6.519 5.157 1.00 0.00 O ATOM 297 CB GLU A 21 9.365 8.493 7.602 1.00 0.00 C ATOM 298 CG GLU A 21 9.529 9.989 7.815 1.00 0.00 C ATOM 299 CD GLU A 21 10.184 10.320 9.142 1.00 0.00 C ATOM 300 OE1 GLU A 21 9.634 9.923 10.191 1.00 0.00 O ATOM 301 OE2 GLU A 21 11.247 10.977 9.132 1.00 0.00 O ATOM 0 H GLU A 21 7.012 8.613 6.869 1.00 0.00 H new ATOM 0 HA GLU A 21 9.393 8.811 5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.628 8.112 8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 21 10.309 7.997 7.827 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.128 10.404 7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.551 10.469 7.767 1.00 0.00 H new ATOM 308 N ASN A 22 8.672 5.715 6.355 1.00 0.00 N ATOM 309 CA ASN A 22 9.012 4.318 6.114 1.00 0.00 C ATOM 310 C ASN A 22 8.659 3.910 4.686 1.00 0.00 C ATOM 311 O ASN A 22 8.083 4.693 3.931 1.00 0.00 O ATOM 312 CB ASN A 22 8.283 3.414 7.110 1.00 0.00 C ATOM 313 CG ASN A 22 9.041 2.131 7.389 1.00 0.00 C ATOM 314 OD1 ASN A 22 8.574 1.038 7.066 1.00 0.00 O ATOM 315 ND2 ASN A 22 10.217 2.258 7.993 1.00 0.00 N ATOM 0 H ASN A 22 7.843 5.854 6.933 1.00 0.00 H new ATOM 0 HA ASN A 22 10.087 4.204 6.250 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.133 3.955 8.045 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.295 3.171 6.720 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.772 1.430 8.207 1.00 0.00 H new ATOM 0 HD22 ASN A 22 10.565 3.184 8.242 1.00 0.00 H new ATOM 322 N SER A 23 9.008 2.679 4.325 1.00 0.00 N ATOM 323 CA SER A 23 8.731 2.168 2.988 1.00 0.00 C ATOM 324 C SER A 23 7.235 2.209 2.690 1.00 0.00 C ATOM 325 O SER A 23 6.484 1.330 3.111 1.00 0.00 O ATOM 326 CB SER A 23 9.251 0.736 2.848 1.00 0.00 C ATOM 327 OG SER A 23 10.643 0.672 3.105 1.00 0.00 O ATOM 0 H SER A 23 9.483 2.018 4.940 1.00 0.00 H new ATOM 0 HA SER A 23 9.245 2.806 2.269 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.720 0.083 3.541 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.046 0.368 1.843 1.00 0.00 H new ATOM 0 HG SER A 23 10.951 -0.254 3.011 1.00 0.00 H new ATOM 333 N GLU A 24 6.811 3.237 1.961 1.00 0.00 N ATOM 334 CA GLU A 24 5.405 3.393 1.608 1.00 0.00 C ATOM 335 C GLU A 24 5.258 3.979 0.206 1.00 0.00 C ATOM 336 O GLU A 24 6.243 4.367 -0.423 1.00 0.00 O ATOM 337 CB GLU A 24 4.697 4.291 2.624 1.00 0.00 C ATOM 338 CG GLU A 24 4.497 3.636 3.980 1.00 0.00 C ATOM 339 CD GLU A 24 3.384 2.607 3.973 1.00 0.00 C ATOM 340 OE1 GLU A 24 2.476 2.722 3.123 1.00 0.00 O ATOM 341 OE2 GLU A 24 3.419 1.687 4.816 1.00 0.00 O ATOM 0 H GLU A 24 7.420 3.973 1.604 1.00 0.00 H new ATOM 0 HA GLU A 24 4.942 2.406 1.622 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.276 5.205 2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.726 4.583 2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.427 3.158 4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.272 4.404 4.720 1.00 0.00 H new ATOM 348 N LEU A 25 4.022 4.038 -0.277 1.00 0.00 N ATOM 349 CA LEU A 25 3.745 4.576 -1.605 1.00 0.00 C ATOM 350 C LEU A 25 2.578 5.557 -1.562 1.00 0.00 C ATOM 351 O LEU A 25 1.539 5.277 -0.965 1.00 0.00 O ATOM 352 CB LEU A 25 3.435 3.440 -2.582 1.00 0.00 C ATOM 353 CG LEU A 25 4.643 2.685 -3.139 1.00 0.00 C ATOM 354 CD1 LEU A 25 4.192 1.561 -4.059 1.00 0.00 C ATOM 355 CD2 LEU A 25 5.574 3.638 -3.874 1.00 0.00 C ATOM 0 H LEU A 25 3.196 3.720 0.230 1.00 0.00 H new ATOM 0 HA LEU A 25 4.632 5.109 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.784 2.724 -2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.871 3.851 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 25 5.190 2.246 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.065 1.035 -4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.566 0.864 -3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.622 1.977 -4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.428 3.084 -4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.038 4.106 -4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.924 4.408 -3.186 1.00 0.00 H new ATOM 367 N SER A 26 2.757 6.709 -2.202 1.00 0.00 N ATOM 368 CA SER A 26 1.720 7.733 -2.236 1.00 0.00 C ATOM 369 C SER A 26 0.755 7.492 -3.392 1.00 0.00 C ATOM 370 O SER A 26 0.639 8.314 -4.302 1.00 0.00 O ATOM 371 CB SER A 26 2.349 9.122 -2.363 1.00 0.00 C ATOM 372 OG SER A 26 1.355 10.121 -2.513 1.00 0.00 O ATOM 0 H SER A 26 3.610 6.956 -2.704 1.00 0.00 H new ATOM 0 HA SER A 26 1.161 7.679 -1.302 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.951 9.334 -1.480 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.022 9.143 -3.220 1.00 0.00 H new ATOM 0 HG SER A 26 0.830 9.941 -3.321 1.00 0.00 H new ATOM 378 N LEU A 27 0.065 6.358 -3.351 1.00 0.00 N ATOM 379 CA LEU A 27 -0.891 6.006 -4.395 1.00 0.00 C ATOM 380 C LEU A 27 -1.934 7.105 -4.572 1.00 0.00 C ATOM 381 O LEU A 27 -2.176 7.896 -3.661 1.00 0.00 O ATOM 382 CB LEU A 27 -1.581 4.683 -4.058 1.00 0.00 C ATOM 383 CG LEU A 27 -0.668 3.552 -3.584 1.00 0.00 C ATOM 384 CD1 LEU A 27 -1.466 2.275 -3.369 1.00 0.00 C ATOM 385 CD2 LEU A 27 0.456 3.319 -4.583 1.00 0.00 C ATOM 0 H LEU A 27 0.150 5.666 -2.606 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.344 5.895 -5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.325 4.871 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.120 4.342 -4.942 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.226 3.844 -2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.799 1.482 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.234 2.448 -2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.938 1.979 -4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.096 2.511 -4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.033 3.050 -5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.046 4.230 -4.686 1.00 0.00 H new ATOM 397 N GLN A 28 -2.550 7.146 -5.749 1.00 0.00 N ATOM 398 CA GLN A 28 -3.567 8.147 -6.044 1.00 0.00 C ATOM 399 C GLN A 28 -4.919 7.490 -6.303 1.00 0.00 C ATOM 400 O GLN A 28 -4.991 6.394 -6.859 1.00 0.00 O ATOM 401 CB GLN A 28 -3.154 8.984 -7.256 1.00 0.00 C ATOM 402 CG GLN A 28 -3.872 10.321 -7.346 1.00 0.00 C ATOM 403 CD GLN A 28 -3.491 11.106 -8.586 1.00 0.00 C ATOM 404 OE1 GLN A 28 -3.148 10.530 -9.618 1.00 0.00 O ATOM 405 NE2 GLN A 28 -3.550 12.429 -8.490 1.00 0.00 N ATOM 0 H GLN A 28 -2.362 6.497 -6.513 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.660 8.799 -5.176 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.079 9.160 -7.216 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.350 8.414 -8.164 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.949 10.152 -7.345 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.641 10.913 -6.461 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.840 12.864 -7.614 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.305 13.010 -9.292 1.00 0.00 H new ATOM 414 N ALA A 29 -5.988 8.166 -5.896 1.00 0.00 N ATOM 415 CA ALA A 29 -7.337 7.649 -6.085 1.00 0.00 C ATOM 416 C ALA A 29 -7.581 7.271 -7.542 1.00 0.00 C ATOM 417 O ALA A 29 -7.577 8.129 -8.425 1.00 0.00 O ATOM 418 CB ALA A 29 -8.365 8.672 -5.623 1.00 0.00 C ATOM 0 H ALA A 29 -5.946 9.074 -5.433 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.442 6.748 -5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.368 8.272 -5.770 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.213 8.889 -4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.252 9.589 -6.202 1.00 0.00 H new ATOM 424 N GLY A 30 -7.793 5.982 -7.788 1.00 0.00 N ATOM 425 CA GLY A 30 -8.035 5.514 -9.140 1.00 0.00 C ATOM 426 C GLY A 30 -6.842 4.783 -9.723 1.00 0.00 C ATOM 427 O GLY A 30 -6.983 4.005 -10.665 1.00 0.00 O ATOM 0 H GLY A 30 -7.801 5.253 -7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.900 4.851 -9.142 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.283 6.364 -9.776 1.00 0.00 H new ATOM 431 N GLU A 31 -5.664 5.034 -9.161 1.00 0.00 N ATOM 432 CA GLU A 31 -4.441 4.395 -9.633 1.00 0.00 C ATOM 433 C GLU A 31 -4.561 2.875 -9.566 1.00 0.00 C ATOM 434 O GLU A 31 -5.200 2.331 -8.665 1.00 0.00 O ATOM 435 CB GLU A 31 -3.242 4.860 -8.804 1.00 0.00 C ATOM 436 CG GLU A 31 -1.909 4.687 -9.511 1.00 0.00 C ATOM 437 CD GLU A 31 -1.789 5.551 -10.751 1.00 0.00 C ATOM 438 OE1 GLU A 31 -1.360 6.717 -10.623 1.00 0.00 O ATOM 439 OE2 GLU A 31 -2.125 5.061 -11.850 1.00 0.00 O ATOM 0 H GLU A 31 -5.531 5.675 -8.379 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.288 4.685 -10.673 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.374 5.911 -8.548 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.221 4.304 -7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.102 4.934 -8.821 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.782 3.641 -9.788 1.00 0.00 H new ATOM 446 N VAL A 32 -3.942 2.196 -10.526 1.00 0.00 N ATOM 447 CA VAL A 32 -3.978 0.739 -10.577 1.00 0.00 C ATOM 448 C VAL A 32 -2.650 0.140 -10.128 1.00 0.00 C ATOM 449 O VAL A 32 -1.581 0.605 -10.525 1.00 0.00 O ATOM 450 CB VAL A 32 -4.302 0.234 -11.996 1.00 0.00 C ATOM 451 CG1 VAL A 32 -4.438 -1.281 -12.006 1.00 0.00 C ATOM 452 CG2 VAL A 32 -5.568 0.895 -12.519 1.00 0.00 C ATOM 0 H VAL A 32 -3.409 2.631 -11.279 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.767 0.419 -9.896 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.478 0.504 -12.657 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.667 -1.619 -13.017 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.503 -1.732 -11.675 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.242 -1.579 -11.333 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.783 0.527 -13.522 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.402 0.657 -11.859 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.428 1.975 -12.551 1.00 0.00 H new ATOM 462 N VAL A 33 -2.724 -0.894 -9.296 1.00 0.00 N ATOM 463 CA VAL A 33 -1.527 -1.558 -8.793 1.00 0.00 C ATOM 464 C VAL A 33 -1.599 -3.064 -9.020 1.00 0.00 C ATOM 465 O VAL A 33 -2.528 -3.564 -9.655 1.00 0.00 O ATOM 466 CB VAL A 33 -1.323 -1.285 -7.292 1.00 0.00 C ATOM 467 CG1 VAL A 33 -1.249 0.211 -7.026 1.00 0.00 C ATOM 468 CG2 VAL A 33 -2.438 -1.925 -6.478 1.00 0.00 C ATOM 0 H VAL A 33 -3.600 -1.290 -8.956 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.681 -1.150 -9.346 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.377 -1.731 -6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.105 0.384 -5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.413 0.638 -7.579 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.177 0.684 -7.348 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.278 -1.722 -5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.398 -1.510 -6.786 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.438 -3.002 -6.645 1.00 0.00 H new ATOM 478 N ASP A 34 -0.612 -3.783 -8.496 1.00 0.00 N ATOM 479 CA ASP A 34 -0.563 -5.233 -8.639 1.00 0.00 C ATOM 480 C ASP A 34 -0.206 -5.899 -7.314 1.00 0.00 C ATOM 481 O ASP A 34 0.928 -5.803 -6.844 1.00 0.00 O ATOM 482 CB ASP A 34 0.455 -5.627 -9.712 1.00 0.00 C ATOM 483 CG ASP A 34 -0.022 -5.295 -11.112 1.00 0.00 C ATOM 484 OD1 ASP A 34 -0.102 -4.093 -11.442 1.00 0.00 O ATOM 485 OD2 ASP A 34 -0.317 -6.237 -11.878 1.00 0.00 O ATOM 0 H ASP A 34 0.165 -3.385 -7.968 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.552 -5.576 -8.943 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.397 -5.113 -9.521 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.655 -6.696 -9.644 1.00 0.00 H new ATOM 490 N VAL A 35 -1.183 -6.572 -6.714 1.00 0.00 N ATOM 491 CA VAL A 35 -0.973 -7.253 -5.442 1.00 0.00 C ATOM 492 C VAL A 35 -0.013 -8.427 -5.600 1.00 0.00 C ATOM 493 O VAL A 35 -0.301 -9.385 -6.318 1.00 0.00 O ATOM 494 CB VAL A 35 -2.301 -7.765 -4.853 1.00 0.00 C ATOM 495 CG1 VAL A 35 -2.086 -8.319 -3.453 1.00 0.00 C ATOM 496 CG2 VAL A 35 -3.341 -6.656 -4.844 1.00 0.00 C ATOM 0 H VAL A 35 -2.128 -6.660 -7.089 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.540 -6.522 -4.759 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.671 -8.573 -5.483 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.035 -8.676 -3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.376 -9.145 -3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.693 -7.534 -2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.273 -7.035 -4.425 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.981 -5.825 -4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.515 -6.312 -5.864 1.00 0.00 H new ATOM 506 N ILE A 36 1.128 -8.347 -4.923 1.00 0.00 N ATOM 507 CA ILE A 36 2.130 -9.404 -4.987 1.00 0.00 C ATOM 508 C ILE A 36 1.931 -10.418 -3.866 1.00 0.00 C ATOM 509 O ILE A 36 1.779 -11.613 -4.116 1.00 0.00 O ATOM 510 CB ILE A 36 3.557 -8.832 -4.900 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.798 -7.829 -6.030 1.00 0.00 C ATOM 512 CG2 ILE A 36 4.581 -9.956 -4.955 1.00 0.00 C ATOM 513 CD1 ILE A 36 4.988 -6.926 -5.793 1.00 0.00 C ATOM 0 H ILE A 36 1.381 -7.561 -4.324 1.00 0.00 H new ATOM 0 HA ILE A 36 2.005 -9.901 -5.949 1.00 0.00 H new ATOM 0 HB ILE A 36 3.667 -8.312 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.945 -8.373 -6.963 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.906 -7.215 -6.157 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.585 -9.537 -4.893 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.419 -10.637 -4.119 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.473 -10.501 -5.893 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.098 -6.241 -6.634 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.834 -6.355 -4.878 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.890 -7.530 -5.696 1.00 0.00 H new ATOM 525 N GLU A 37 1.931 -9.931 -2.628 1.00 0.00 N ATOM 526 CA GLU A 37 1.750 -10.796 -1.468 1.00 0.00 C ATOM 527 C GLU A 37 0.619 -10.285 -0.580 1.00 0.00 C ATOM 528 O GLU A 37 0.071 -9.207 -0.812 1.00 0.00 O ATOM 529 CB GLU A 37 3.047 -10.883 -0.662 1.00 0.00 C ATOM 530 CG GLU A 37 3.906 -12.085 -1.018 1.00 0.00 C ATOM 531 CD GLU A 37 3.216 -13.403 -0.723 1.00 0.00 C ATOM 532 OE1 GLU A 37 2.109 -13.376 -0.145 1.00 0.00 O ATOM 533 OE2 GLU A 37 3.783 -14.460 -1.069 1.00 0.00 O ATOM 0 H GLU A 37 2.054 -8.944 -2.403 1.00 0.00 H new ATOM 0 HA GLU A 37 1.486 -11.791 -1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.626 -9.973 -0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.803 -10.923 0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.163 -12.043 -2.076 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.842 -12.036 -0.461 1.00 0.00 H new ATOM 540 N LYS A 38 0.274 -11.067 0.437 1.00 0.00 N ATOM 541 CA LYS A 38 -0.790 -10.696 1.362 1.00 0.00 C ATOM 542 C LYS A 38 -0.452 -11.130 2.784 1.00 0.00 C ATOM 543 O LYS A 38 -0.146 -12.296 3.031 1.00 0.00 O ATOM 544 CB LYS A 38 -2.115 -11.326 0.926 1.00 0.00 C ATOM 545 CG LYS A 38 -2.527 -10.959 -0.489 1.00 0.00 C ATOM 546 CD LYS A 38 -3.692 -11.810 -0.968 1.00 0.00 C ATOM 547 CE LYS A 38 -3.952 -11.611 -2.454 1.00 0.00 C ATOM 548 NZ LYS A 38 -4.970 -12.567 -2.971 1.00 0.00 N ATOM 0 H LYS A 38 0.717 -11.963 0.642 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.888 -9.611 1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.034 -12.410 1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.900 -11.015 1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.805 -9.906 -0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.679 -11.089 -1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.481 -12.861 -0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.588 -11.554 -0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.290 -10.590 -2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.021 -11.738 -3.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.119 -12.400 -3.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.636 -13.541 -2.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.866 -12.429 -2.462 1.00 0.00 H new ATOM 562 N ASN A 39 -0.509 -10.184 3.716 1.00 0.00 N ATOM 563 CA ASN A 39 -0.209 -10.470 5.115 1.00 0.00 C ATOM 564 C ASN A 39 -1.487 -10.515 5.947 1.00 0.00 C ATOM 565 O ASN A 39 -2.372 -9.675 5.789 1.00 0.00 O ATOM 566 CB ASN A 39 0.744 -9.414 5.679 1.00 0.00 C ATOM 567 CG ASN A 39 2.200 -9.812 5.532 1.00 0.00 C ATOM 568 OD1 ASN A 39 2.669 -10.096 4.429 1.00 0.00 O ATOM 569 ND2 ASN A 39 2.923 -9.833 6.645 1.00 0.00 N ATOM 0 H ASN A 39 -0.760 -9.213 3.528 1.00 0.00 H new ATOM 0 HA ASN A 39 0.271 -11.447 5.166 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.576 -8.466 5.167 1.00 0.00 H new ATOM 0 HB3 ASN A 39 0.519 -9.251 6.733 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.909 -10.092 6.608 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.493 -9.590 7.537 1.00 0.00 H new ATOM 576 N GLU A 40 -1.575 -11.502 6.833 1.00 0.00 N ATOM 577 CA GLU A 40 -2.745 -11.656 7.690 1.00 0.00 C ATOM 578 C GLU A 40 -3.031 -10.368 8.457 1.00 0.00 C ATOM 579 O GLU A 40 -4.181 -10.064 8.774 1.00 0.00 O ATOM 580 CB GLU A 40 -2.537 -12.812 8.671 1.00 0.00 C ATOM 581 CG GLU A 40 -1.389 -12.588 9.641 1.00 0.00 C ATOM 582 CD GLU A 40 -1.133 -13.790 10.530 1.00 0.00 C ATOM 583 OE1 GLU A 40 -1.550 -14.905 10.154 1.00 0.00 O ATOM 584 OE2 GLU A 40 -0.515 -13.614 11.601 1.00 0.00 O ATOM 0 H GLU A 40 -0.851 -12.206 6.976 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.603 -11.878 7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.455 -12.966 9.237 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.352 -13.727 8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.484 -12.357 9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.608 -11.721 10.264 1.00 0.00 H new ATOM 591 N SER A 41 -1.976 -9.616 8.753 1.00 0.00 N ATOM 592 CA SER A 41 -2.112 -8.363 9.487 1.00 0.00 C ATOM 593 C SER A 41 -3.062 -7.412 8.766 1.00 0.00 C ATOM 594 O SER A 41 -3.816 -6.672 9.398 1.00 0.00 O ATOM 595 CB SER A 41 -0.745 -7.699 9.663 1.00 0.00 C ATOM 596 OG SER A 41 0.277 -8.669 9.818 1.00 0.00 O ATOM 0 H SER A 41 -1.018 -9.852 8.496 1.00 0.00 H new ATOM 0 HA SER A 41 -2.527 -8.589 10.469 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.528 -7.072 8.798 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.765 -7.044 10.534 1.00 0.00 H new ATOM 0 HG SER A 41 1.141 -8.219 9.927 1.00 0.00 H new ATOM 602 N GLY A 42 -3.020 -7.437 7.437 1.00 0.00 N ATOM 603 CA GLY A 42 -3.881 -6.573 6.651 1.00 0.00 C ATOM 604 C GLY A 42 -3.110 -5.760 5.630 1.00 0.00 C ATOM 605 O GLY A 42 -3.684 -5.268 4.658 1.00 0.00 O ATOM 0 H GLY A 42 -2.405 -8.040 6.891 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.629 -7.179 6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.419 -5.898 7.317 1.00 0.00 H new ATOM 609 N TRP A 43 -1.809 -5.616 5.851 1.00 0.00 N ATOM 610 CA TRP A 43 -0.959 -4.855 4.942 1.00 0.00 C ATOM 611 C TRP A 43 -0.619 -5.673 3.701 1.00 0.00 C ATOM 612 O TRP A 43 0.026 -6.718 3.792 1.00 0.00 O ATOM 613 CB TRP A 43 0.326 -4.426 5.652 1.00 0.00 C ATOM 614 CG TRP A 43 0.104 -3.375 6.697 1.00 0.00 C ATOM 615 CD1 TRP A 43 -0.293 -3.573 7.989 1.00 0.00 C ATOM 616 CD2 TRP A 43 0.265 -1.961 6.538 1.00 0.00 C ATOM 617 NE1 TRP A 43 -0.389 -2.368 8.642 1.00 0.00 N ATOM 618 CE2 TRP A 43 -0.051 -1.364 7.774 1.00 0.00 C ATOM 619 CE3 TRP A 43 0.647 -1.141 5.472 1.00 0.00 C ATOM 620 CZ2 TRP A 43 0.003 0.014 7.971 1.00 0.00 C ATOM 621 CZ3 TRP A 43 0.699 0.226 5.669 1.00 0.00 C ATOM 622 CH2 TRP A 43 0.380 0.792 6.910 1.00 0.00 C ATOM 0 H TRP A 43 -1.319 -6.016 6.651 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.508 -3.967 4.630 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.785 -5.299 6.116 1.00 0.00 H new ATOM 0 HB3 TRP A 43 1.033 -4.050 4.913 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.501 -4.536 8.432 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.667 -2.242 9.615 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.897 -1.568 4.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.244 0.453 8.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.991 0.869 4.852 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.433 1.864 7.032 1.00 0.00 H new ATOM 633 N TRP A 44 -1.057 -5.192 2.543 1.00 0.00 N ATOM 634 CA TRP A 44 -0.798 -5.880 1.283 1.00 0.00 C ATOM 635 C TRP A 44 0.415 -5.284 0.577 1.00 0.00 C ATOM 636 O TRP A 44 0.692 -4.091 0.698 1.00 0.00 O ATOM 637 CB TRP A 44 -2.025 -5.799 0.373 1.00 0.00 C ATOM 638 CG TRP A 44 -3.101 -6.775 0.739 1.00 0.00 C ATOM 639 CD1 TRP A 44 -3.342 -7.304 1.975 1.00 0.00 C ATOM 640 CD2 TRP A 44 -4.081 -7.339 -0.139 1.00 0.00 C ATOM 641 NE1 TRP A 44 -4.413 -8.163 1.918 1.00 0.00 N ATOM 642 CE2 TRP A 44 -4.885 -8.202 0.632 1.00 0.00 C ATOM 643 CE3 TRP A 44 -4.360 -7.198 -1.501 1.00 0.00 C ATOM 644 CZ2 TRP A 44 -5.945 -8.919 0.084 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -5.412 -7.911 -2.043 1.00 0.00 C ATOM 646 CH2 TRP A 44 -6.195 -8.762 -1.252 1.00 0.00 C ATOM 0 H TRP A 44 -1.593 -4.329 2.450 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.588 -6.926 1.505 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.432 -4.789 0.413 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.717 -5.978 -0.657 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.774 -7.080 2.866 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.795 -8.687 2.705 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.764 -6.543 -2.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.549 -9.576 0.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.635 -7.811 -3.095 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -7.011 -9.304 -1.705 1.00 0.00 H new ATOM 657 N PHE A 45 1.135 -6.122 -0.161 1.00 0.00 N ATOM 658 CA PHE A 45 2.319 -5.677 -0.887 1.00 0.00 C ATOM 659 C PHE A 45 2.022 -5.533 -2.377 1.00 0.00 C ATOM 660 O PHE A 45 2.102 -6.500 -3.134 1.00 0.00 O ATOM 661 CB PHE A 45 3.471 -6.663 -0.678 1.00 0.00 C ATOM 662 CG PHE A 45 4.778 -6.186 -1.244 1.00 0.00 C ATOM 663 CD1 PHE A 45 5.219 -4.894 -1.009 1.00 0.00 C ATOM 664 CD2 PHE A 45 5.565 -7.030 -2.011 1.00 0.00 C ATOM 665 CE1 PHE A 45 6.422 -4.452 -1.528 1.00 0.00 C ATOM 666 CE2 PHE A 45 6.768 -6.593 -2.532 1.00 0.00 C ATOM 667 CZ PHE A 45 7.197 -5.302 -2.291 1.00 0.00 C ATOM 0 H PHE A 45 0.920 -7.113 -0.272 1.00 0.00 H new ATOM 0 HA PHE A 45 2.609 -4.701 -0.497 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.592 -6.847 0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.211 -7.616 -1.138 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.616 -4.224 -0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.235 -8.040 -2.204 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.755 -3.443 -1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.373 -7.261 -3.128 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.136 -4.959 -2.699 1.00 0.00 H new ATOM 677 N VAL A 46 1.678 -4.317 -2.790 1.00 0.00 N ATOM 678 CA VAL A 46 1.369 -4.045 -4.189 1.00 0.00 C ATOM 679 C VAL A 46 2.569 -3.442 -4.909 1.00 0.00 C ATOM 680 O VAL A 46 3.508 -2.959 -4.276 1.00 0.00 O ATOM 681 CB VAL A 46 0.170 -3.087 -4.322 1.00 0.00 C ATOM 682 CG1 VAL A 46 -1.046 -3.649 -3.600 1.00 0.00 C ATOM 683 CG2 VAL A 46 0.527 -1.708 -3.788 1.00 0.00 C ATOM 0 H VAL A 46 1.606 -3.505 -2.176 1.00 0.00 H new ATOM 0 HA VAL A 46 1.115 -5.000 -4.649 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.078 -2.989 -5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.883 -2.958 -3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.314 -4.612 -4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.814 -3.779 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.332 -1.045 -3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.803 -1.785 -2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.366 -1.305 -4.354 1.00 0.00 H new ATOM 693 N SER A 47 2.532 -3.473 -6.238 1.00 0.00 N ATOM 694 CA SER A 47 3.619 -2.932 -7.046 1.00 0.00 C ATOM 695 C SER A 47 3.074 -2.095 -8.199 1.00 0.00 C ATOM 696 O SER A 47 2.181 -2.527 -8.928 1.00 0.00 O ATOM 697 CB SER A 47 4.490 -4.065 -7.590 1.00 0.00 C ATOM 698 OG SER A 47 5.181 -3.661 -8.759 1.00 0.00 O ATOM 0 H SER A 47 1.761 -3.867 -6.778 1.00 0.00 H new ATOM 0 HA SER A 47 4.227 -2.289 -6.410 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.206 -4.375 -6.829 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.867 -4.931 -7.813 1.00 0.00 H new ATOM 0 HG SER A 47 5.732 -4.403 -9.086 1.00 0.00 H new ATOM 704 N THR A 48 3.619 -0.893 -8.358 1.00 0.00 N ATOM 705 CA THR A 48 3.188 0.007 -9.421 1.00 0.00 C ATOM 706 C THR A 48 4.300 0.226 -10.440 1.00 0.00 C ATOM 707 O THR A 48 5.456 -0.118 -10.196 1.00 0.00 O ATOM 708 CB THR A 48 2.748 1.371 -8.858 1.00 0.00 C ATOM 709 OG1 THR A 48 3.892 2.116 -8.426 1.00 0.00 O ATOM 710 CG2 THR A 48 1.785 1.191 -7.693 1.00 0.00 C ATOM 0 H THR A 48 4.360 -0.520 -7.764 1.00 0.00 H new ATOM 0 HA THR A 48 2.338 -0.467 -9.911 1.00 0.00 H new ATOM 0 HB THR A 48 2.237 1.918 -9.651 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.448 1.555 -7.846 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.488 2.168 -7.312 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.901 0.650 -8.032 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.275 0.626 -6.900 1.00 0.00 H new ATOM 718 N SER A 49 3.943 0.800 -11.584 1.00 0.00 N ATOM 719 CA SER A 49 4.910 1.062 -12.643 1.00 0.00 C ATOM 720 C SER A 49 6.079 1.890 -12.118 1.00 0.00 C ATOM 721 O SER A 49 7.190 1.819 -12.644 1.00 0.00 O ATOM 722 CB SER A 49 4.238 1.790 -13.809 1.00 0.00 C ATOM 723 OG SER A 49 5.176 2.567 -14.534 1.00 0.00 O ATOM 0 H SER A 49 2.990 1.093 -11.801 1.00 0.00 H new ATOM 0 HA SER A 49 5.294 0.105 -12.995 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.771 1.064 -14.474 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.443 2.433 -13.431 1.00 0.00 H new ATOM 0 HG SER A 49 4.722 3.021 -15.275 1.00 0.00 H new ATOM 729 N GLU A 50 5.820 2.676 -11.077 1.00 0.00 N ATOM 730 CA GLU A 50 6.850 3.518 -10.481 1.00 0.00 C ATOM 731 C GLU A 50 7.716 2.716 -9.513 1.00 0.00 C ATOM 732 O GLU A 50 8.890 2.462 -9.780 1.00 0.00 O ATOM 733 CB GLU A 50 6.213 4.702 -9.751 1.00 0.00 C ATOM 734 CG GLU A 50 5.625 5.748 -10.685 1.00 0.00 C ATOM 735 CD GLU A 50 5.120 6.971 -9.946 1.00 0.00 C ATOM 736 OE1 GLU A 50 5.952 7.815 -9.555 1.00 0.00 O ATOM 737 OE2 GLU A 50 3.890 7.084 -9.758 1.00 0.00 O ATOM 0 H GLU A 50 4.906 2.747 -10.630 1.00 0.00 H new ATOM 0 HA GLU A 50 7.485 3.894 -11.283 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.427 4.332 -9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.964 5.174 -9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.383 6.052 -11.407 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.805 5.305 -11.250 1.00 0.00 H new ATOM 744 N GLU A 51 7.127 2.323 -8.389 1.00 0.00 N ATOM 745 CA GLU A 51 7.845 1.551 -7.381 1.00 0.00 C ATOM 746 C GLU A 51 6.888 0.658 -6.596 1.00 0.00 C ATOM 747 O GLU A 51 5.674 0.714 -6.786 1.00 0.00 O ATOM 748 CB GLU A 51 8.587 2.487 -6.423 1.00 0.00 C ATOM 749 CG GLU A 51 9.590 3.394 -7.115 1.00 0.00 C ATOM 750 CD GLU A 51 10.602 3.986 -6.153 1.00 0.00 C ATOM 751 OE1 GLU A 51 10.291 4.078 -4.947 1.00 0.00 O ATOM 752 OE2 GLU A 51 11.705 4.356 -6.606 1.00 0.00 O ATOM 0 H GLU A 51 6.156 2.526 -8.153 1.00 0.00 H new ATOM 0 HA GLU A 51 8.569 0.917 -7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.860 3.101 -5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.106 1.889 -5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.114 2.829 -7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.058 4.201 -7.618 1.00 0.00 H new ATOM 759 N GLN A 52 7.446 -0.166 -5.715 1.00 0.00 N ATOM 760 CA GLN A 52 6.643 -1.073 -4.903 1.00 0.00 C ATOM 761 C GLN A 52 6.639 -0.636 -3.442 1.00 0.00 C ATOM 762 O GLN A 52 7.595 -0.028 -2.963 1.00 0.00 O ATOM 763 CB GLN A 52 7.176 -2.502 -5.019 1.00 0.00 C ATOM 764 CG GLN A 52 7.488 -2.921 -6.446 1.00 0.00 C ATOM 765 CD GLN A 52 7.741 -4.411 -6.575 1.00 0.00 C ATOM 766 OE1 GLN A 52 7.668 -5.152 -5.594 1.00 0.00 O ATOM 767 NE2 GLN A 52 8.041 -4.857 -7.789 1.00 0.00 N ATOM 0 H GLN A 52 8.450 -0.224 -5.545 1.00 0.00 H new ATOM 0 HA GLN A 52 5.619 -1.044 -5.275 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.080 -2.594 -4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.442 -3.190 -4.599 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.657 -2.640 -7.093 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.364 -2.376 -6.797 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.090 -4.207 -8.573 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.222 -5.850 -7.937 1.00 0.00 H new ATOM 776 N GLY A 53 5.555 -0.951 -2.738 1.00 0.00 N ATOM 777 CA GLY A 53 5.447 -0.582 -1.339 1.00 0.00 C ATOM 778 C GLY A 53 4.350 -1.344 -0.622 1.00 0.00 C ATOM 779 O GLY A 53 3.568 -2.057 -1.250 1.00 0.00 O ATOM 0 H GLY A 53 4.751 -1.455 -3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.399 -0.769 -0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.252 0.488 -1.262 1.00 0.00 H new ATOM 783 N TRP A 54 4.293 -1.194 0.697 1.00 0.00 N ATOM 784 CA TRP A 54 3.284 -1.876 1.500 1.00 0.00 C ATOM 785 C TRP A 54 2.165 -0.919 1.896 1.00 0.00 C ATOM 786 O TRP A 54 2.413 0.123 2.504 1.00 0.00 O ATOM 787 CB TRP A 54 3.922 -2.480 2.752 1.00 0.00 C ATOM 788 CG TRP A 54 4.737 -3.706 2.471 1.00 0.00 C ATOM 789 CD1 TRP A 54 6.011 -3.750 1.981 1.00 0.00 C ATOM 790 CD2 TRP A 54 4.331 -5.066 2.661 1.00 0.00 C ATOM 791 NE1 TRP A 54 6.422 -5.055 1.855 1.00 0.00 N ATOM 792 CE2 TRP A 54 5.410 -5.882 2.267 1.00 0.00 C ATOM 793 CE3 TRP A 54 3.163 -5.675 3.128 1.00 0.00 C ATOM 794 CZ2 TRP A 54 5.353 -7.271 2.325 1.00 0.00 C ATOM 795 CZ3 TRP A 54 3.108 -7.054 3.185 1.00 0.00 C ATOM 796 CH2 TRP A 54 4.197 -7.840 2.786 1.00 0.00 C ATOM 0 H TRP A 54 4.933 -0.607 1.232 1.00 0.00 H new ATOM 0 HA TRP A 54 2.856 -2.676 0.897 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.557 -1.731 3.225 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.138 -2.730 3.466 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.608 -2.886 1.729 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.333 -5.359 1.511 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.318 -5.078 3.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.191 -7.878 2.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 2.210 -7.535 3.543 1.00 0.00 H new ATOM 0 HH2 TRP A 54 4.123 -8.916 2.843 1.00 0.00 H new ATOM 807 N VAL A 55 0.934 -1.278 1.547 1.00 0.00 N ATOM 808 CA VAL A 55 -0.223 -0.451 1.868 1.00 0.00 C ATOM 809 C VAL A 55 -1.387 -1.302 2.362 1.00 0.00 C ATOM 810 O VAL A 55 -1.486 -2.494 2.068 1.00 0.00 O ATOM 811 CB VAL A 55 -0.683 0.369 0.648 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.227 1.570 0.438 1.00 0.00 C ATOM 813 CG2 VAL A 55 -0.721 -0.505 -0.597 1.00 0.00 C ATOM 0 H VAL A 55 0.712 -2.136 1.042 1.00 0.00 H new ATOM 0 HA VAL A 55 0.086 0.231 2.660 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.692 0.736 0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.113 2.137 -0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.199 2.207 1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.248 1.228 0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.048 0.090 -1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.275 -0.903 -0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.417 -1.329 -0.442 1.00 0.00 H new ATOM 823 N PRO A 56 -2.292 -0.678 3.132 1.00 0.00 N ATOM 824 CA PRO A 56 -3.467 -1.360 3.683 1.00 0.00 C ATOM 825 C PRO A 56 -4.486 -1.720 2.607 1.00 0.00 C ATOM 826 O PRO A 56 -4.815 -0.899 1.752 1.00 0.00 O ATOM 827 CB PRO A 56 -4.053 -0.329 4.651 1.00 0.00 C ATOM 828 CG PRO A 56 -3.591 0.987 4.128 1.00 0.00 C ATOM 829 CD PRO A 56 -2.237 0.740 3.523 1.00 0.00 C ATOM 0 HA PRO A 56 -3.205 -2.307 4.154 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.141 -0.385 4.677 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.701 -0.496 5.669 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.286 1.377 3.384 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.532 1.726 4.927 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.056 1.387 2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.437 0.929 4.238 1.00 0.00 H new ATOM 837 N ALA A 57 -4.981 -2.952 2.656 1.00 0.00 N ATOM 838 CA ALA A 57 -5.965 -3.419 1.687 1.00 0.00 C ATOM 839 C ALA A 57 -7.189 -2.511 1.666 1.00 0.00 C ATOM 840 O ALA A 57 -7.899 -2.429 0.663 1.00 0.00 O ATOM 841 CB ALA A 57 -6.373 -4.851 1.998 1.00 0.00 C ATOM 0 H ALA A 57 -4.717 -3.645 3.356 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.507 -3.390 0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.108 -5.187 1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.496 -5.497 1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.808 -4.897 2.997 1.00 0.00 H new ATOM 847 N THR A 58 -7.434 -1.828 2.781 1.00 0.00 N ATOM 848 CA THR A 58 -8.574 -0.927 2.891 1.00 0.00 C ATOM 849 C THR A 58 -8.553 0.124 1.787 1.00 0.00 C ATOM 850 O THR A 58 -9.593 0.664 1.411 1.00 0.00 O ATOM 851 CB THR A 58 -8.600 -0.218 4.259 1.00 0.00 C ATOM 852 OG1 THR A 58 -7.321 0.367 4.531 1.00 0.00 O ATOM 853 CG2 THR A 58 -8.963 -1.194 5.367 1.00 0.00 C ATOM 0 H THR A 58 -6.857 -1.882 3.621 1.00 0.00 H new ATOM 0 HA THR A 58 -9.471 -1.538 2.790 1.00 0.00 H new ATOM 0 HB THR A 58 -9.357 0.565 4.224 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.346 0.817 5.401 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.975 -0.671 6.323 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.949 -1.616 5.172 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.226 -1.996 5.401 1.00 0.00 H new ATOM 861 N TYR A 59 -7.363 0.408 1.271 1.00 0.00 N ATOM 862 CA TYR A 59 -7.207 1.396 0.210 1.00 0.00 C ATOM 863 C TYR A 59 -7.161 0.723 -1.159 1.00 0.00 C ATOM 864 O TYR A 59 -6.573 1.251 -2.104 1.00 0.00 O ATOM 865 CB TYR A 59 -5.934 2.215 0.430 1.00 0.00 C ATOM 866 CG TYR A 59 -6.089 3.309 1.462 1.00 0.00 C ATOM 867 CD1 TYR A 59 -6.251 3.003 2.808 1.00 0.00 C ATOM 868 CD2 TYR A 59 -6.074 4.648 1.092 1.00 0.00 C ATOM 869 CE1 TYR A 59 -6.393 3.999 3.755 1.00 0.00 C ATOM 870 CE2 TYR A 59 -6.214 5.651 2.032 1.00 0.00 C ATOM 871 CZ TYR A 59 -6.374 5.321 3.362 1.00 0.00 C ATOM 872 OH TYR A 59 -6.516 6.317 4.301 1.00 0.00 O ATOM 0 H TYR A 59 -6.492 -0.032 1.570 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.070 2.062 0.239 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.131 1.546 0.739 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.631 2.661 -0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.266 1.969 3.119 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.951 4.910 0.051 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.518 3.744 4.797 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.198 6.687 1.727 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.479 7.191 3.859 1.00 0.00 H new ATOM 882 N LEU A 60 -7.788 -0.444 -1.258 1.00 0.00 N ATOM 883 CA LEU A 60 -7.821 -1.190 -2.511 1.00 0.00 C ATOM 884 C LEU A 60 -9.188 -1.832 -2.727 1.00 0.00 C ATOM 885 O LEU A 60 -9.919 -2.092 -1.772 1.00 0.00 O ATOM 886 CB LEU A 60 -6.734 -2.267 -2.515 1.00 0.00 C ATOM 887 CG LEU A 60 -5.324 -1.798 -2.152 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.382 -2.986 -2.031 1.00 0.00 C ATOM 889 CD2 LEU A 60 -4.808 -0.809 -3.187 1.00 0.00 C ATOM 0 H LEU A 60 -8.280 -0.894 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.635 -0.491 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.025 -3.052 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.701 -2.718 -3.507 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.366 -1.294 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.383 -2.634 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.743 -3.658 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.344 -3.518 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.804 -0.486 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.780 -1.288 -4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.470 0.056 -3.225 1.00 0.00 H new ATOM 901 N GLU A 61 -9.525 -2.085 -3.987 1.00 0.00 N ATOM 902 CA GLU A 61 -10.803 -2.698 -4.327 1.00 0.00 C ATOM 903 C GLU A 61 -10.664 -3.609 -5.543 1.00 0.00 C ATOM 904 O GLU A 61 -10.224 -3.178 -6.608 1.00 0.00 O ATOM 905 CB GLU A 61 -11.853 -1.619 -4.602 1.00 0.00 C ATOM 906 CG GLU A 61 -13.179 -2.173 -5.097 1.00 0.00 C ATOM 907 CD GLU A 61 -14.326 -1.201 -4.901 1.00 0.00 C ATOM 908 OE1 GLU A 61 -14.673 -0.918 -3.736 1.00 0.00 O ATOM 909 OE2 GLU A 61 -14.878 -0.723 -5.915 1.00 0.00 O ATOM 0 H GLU A 61 -8.931 -1.875 -4.789 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.125 -3.301 -3.478 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.025 -1.050 -3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.461 -0.922 -5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.093 -2.420 -6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.400 -3.101 -4.570 1.00 0.00 H new ATOM 916 N ALA A 62 -11.043 -4.872 -5.375 1.00 0.00 N ATOM 917 CA ALA A 62 -10.962 -5.845 -6.457 1.00 0.00 C ATOM 918 C ALA A 62 -11.686 -5.343 -7.702 1.00 0.00 C ATOM 919 O ALA A 62 -12.913 -5.247 -7.720 1.00 0.00 O ATOM 920 CB ALA A 62 -11.538 -7.180 -6.011 1.00 0.00 C ATOM 0 H ALA A 62 -11.409 -5.245 -4.499 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.911 -5.983 -6.711 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.471 -7.897 -6.829 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.974 -7.552 -5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.582 -7.049 -5.728 1.00 0.00 H new ATOM 926 N GLN A 63 -10.919 -5.023 -8.739 1.00 0.00 N ATOM 927 CA GLN A 63 -11.489 -4.529 -9.987 1.00 0.00 C ATOM 928 C GLN A 63 -12.552 -5.486 -10.516 1.00 0.00 C ATOM 929 O GLN A 63 -12.249 -6.613 -10.903 1.00 0.00 O ATOM 930 CB GLN A 63 -10.390 -4.339 -11.034 1.00 0.00 C ATOM 931 CG GLN A 63 -10.497 -3.028 -11.797 1.00 0.00 C ATOM 932 CD GLN A 63 -10.030 -3.150 -13.234 1.00 0.00 C ATOM 933 OE1 GLN A 63 -10.742 -3.681 -14.087 1.00 0.00 O ATOM 934 NE2 GLN A 63 -8.828 -2.658 -13.510 1.00 0.00 N ATOM 0 H GLN A 63 -9.902 -5.097 -8.740 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.960 -3.567 -9.786 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.419 -4.385 -10.542 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.428 -5.166 -11.743 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -11.532 -2.687 -11.783 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.904 -2.267 -11.290 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.272 -2.226 -12.772 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -8.461 -2.712 -14.460 1.00 0.00 H new ATOM 943 N ASN A 64 -13.800 -5.028 -10.528 1.00 0.00 N ATOM 944 CA ASN A 64 -14.909 -5.844 -11.008 1.00 0.00 C ATOM 945 C ASN A 64 -15.781 -5.057 -11.982 1.00 0.00 C ATOM 946 O ASN A 64 -16.932 -4.739 -11.682 1.00 0.00 O ATOM 947 CB ASN A 64 -15.754 -6.337 -9.832 1.00 0.00 C ATOM 948 CG ASN A 64 -15.098 -7.484 -9.089 1.00 0.00 C ATOM 949 OD1 ASN A 64 -14.725 -8.493 -9.688 1.00 0.00 O ATOM 950 ND2 ASN A 64 -14.954 -7.334 -7.778 1.00 0.00 N ATOM 0 H ASN A 64 -14.068 -4.096 -10.211 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.494 -6.704 -11.533 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.927 -5.512 -9.141 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -16.730 -6.656 -10.198 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.519 -8.072 -7.225 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.278 -6.480 -7.324 1.00 0.00 H new ATOM 957 N SER A 65 -15.225 -4.748 -13.149 1.00 0.00 N ATOM 958 CA SER A 65 -15.951 -3.995 -14.166 1.00 0.00 C ATOM 959 C SER A 65 -16.470 -2.677 -13.599 1.00 0.00 C ATOM 960 O SER A 65 -17.656 -2.368 -13.704 1.00 0.00 O ATOM 961 CB SER A 65 -17.117 -4.824 -14.709 1.00 0.00 C ATOM 962 OG SER A 65 -16.835 -6.211 -14.633 1.00 0.00 O ATOM 0 H SER A 65 -14.275 -5.007 -13.414 1.00 0.00 H new ATOM 0 HA SER A 65 -15.261 -3.774 -14.980 1.00 0.00 H new ATOM 0 HB2 SER A 65 -18.021 -4.602 -14.142 1.00 0.00 H new ATOM 0 HB3 SER A 65 -17.314 -4.546 -15.744 1.00 0.00 H new ATOM 0 HG SER A 65 -17.596 -6.719 -14.984 1.00 0.00 H new ATOM 968 N GLY A 66 -15.572 -1.904 -12.997 1.00 0.00 N ATOM 969 CA GLY A 66 -15.957 -0.629 -12.422 1.00 0.00 C ATOM 970 C GLY A 66 -14.840 0.005 -11.617 1.00 0.00 C ATOM 971 O GLY A 66 -14.872 0.035 -10.387 1.00 0.00 O ATOM 0 H GLY A 66 -14.584 -2.138 -12.897 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.256 0.050 -13.220 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.827 -0.771 -11.781 1.00 0.00 H new ATOM 975 N PRO A 67 -13.822 0.526 -12.318 1.00 0.00 N ATOM 976 CA PRO A 67 -12.670 1.171 -11.681 1.00 0.00 C ATOM 977 C PRO A 67 -13.035 2.503 -11.035 1.00 0.00 C ATOM 978 O PRO A 67 -13.252 3.499 -11.725 1.00 0.00 O ATOM 979 CB PRO A 67 -11.697 1.388 -12.843 1.00 0.00 C ATOM 980 CG PRO A 67 -12.563 1.451 -14.054 1.00 0.00 C ATOM 981 CD PRO A 67 -13.717 0.526 -13.787 1.00 0.00 C ATOM 0 HA PRO A 67 -12.260 0.566 -10.872 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.127 2.308 -12.716 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.976 0.573 -12.913 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.912 2.468 -14.232 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.013 1.142 -14.943 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.634 0.883 -14.255 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.528 -0.474 -14.176 1.00 0.00 H new ATOM 989 N SER A 68 -13.101 2.514 -9.707 1.00 0.00 N ATOM 990 CA SER A 68 -13.444 3.724 -8.969 1.00 0.00 C ATOM 991 C SER A 68 -12.245 4.663 -8.879 1.00 0.00 C ATOM 992 O SER A 68 -11.174 4.277 -8.410 1.00 0.00 O ATOM 993 CB SER A 68 -13.933 3.367 -7.564 1.00 0.00 C ATOM 994 OG SER A 68 -15.161 2.662 -7.615 1.00 0.00 O ATOM 0 H SER A 68 -12.922 1.699 -9.121 1.00 0.00 H new ATOM 0 HA SER A 68 -14.244 4.234 -9.506 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.182 2.760 -7.058 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.057 4.277 -6.976 1.00 0.00 H new ATOM 0 HG SER A 68 -15.451 2.444 -6.705 1.00 0.00 H new ATOM 1000 N SER A 69 -12.433 5.898 -9.333 1.00 0.00 N ATOM 1001 CA SER A 69 -11.367 6.892 -9.308 1.00 0.00 C ATOM 1002 C SER A 69 -11.843 8.182 -8.647 1.00 0.00 C ATOM 1003 O SER A 69 -12.929 8.680 -8.942 1.00 0.00 O ATOM 1004 CB SER A 69 -10.880 7.184 -10.729 1.00 0.00 C ATOM 1005 OG SER A 69 -9.811 8.114 -10.720 1.00 0.00 O ATOM 0 H SER A 69 -13.314 6.234 -9.723 1.00 0.00 H new ATOM 0 HA SER A 69 -10.540 6.488 -8.724 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.556 6.258 -11.204 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.703 7.577 -11.326 1.00 0.00 H new ATOM 0 HG SER A 69 -9.516 8.283 -11.639 1.00 0.00 H new ATOM 1011 N GLY A 70 -11.021 8.719 -7.751 1.00 0.00 N ATOM 1012 CA GLY A 70 -11.374 9.946 -7.061 1.00 0.00 C ATOM 1013 C GLY A 70 -10.718 11.166 -7.676 1.00 0.00 C ATOM 1014 O GLY A 70 -11.385 11.982 -8.313 1.00 0.00 O ATOM 0 H GLY A 70 -10.116 8.326 -7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.457 10.071 -7.080 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -11.080 9.868 -6.014 1.00 0.00 H new TER 1018 GLY A 70