USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 579 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 67 ASN : amide:sc= -3.48! C(o=-2.4!,f=-16!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 154:sc= 1.12 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -3.55! K(o=-3.6!,f=-1.3) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -53:sc= 1.07 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.094) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.366 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -12! C(o=-12!,f=-18!) USER MOD Single : A 43 SER OG : rot -50:sc= -4.44! USER MOD Single : A 48 SER OG : rot -97:sc= 1.28 USER MOD Single : A 53 MET CE :methyl -162:sc= -7.32! (180deg=-8.91!) USER MOD Single : A 54 SER OG : rot 179:sc= -3.11 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 1.14 (180deg=1.14) USER MOD Single : A 65 LYS NZ :NH3+ -108:sc= -0.247 (180deg=-1.95!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.256 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -1.906 15.754 3.933 1.00 0.00 N ATOM 2 CA PRO A 9 -0.504 15.322 3.681 1.00 0.00 C ATOM 3 C PRO A 9 -0.379 13.801 3.626 1.00 0.00 C ATOM 4 O PRO A 9 -1.243 13.078 4.126 1.00 0.00 O ATOM 5 CB PRO A 9 0.362 15.890 4.803 1.00 0.00 C ATOM 6 CG PRO A 9 -0.616 16.496 5.753 1.00 0.00 C ATOM 7 CD PRO A 9 -1.850 16.820 4.947 1.00 0.00 C ATOM 0 HA PRO A 9 -0.177 15.695 2.711 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.952 15.110 5.284 1.00 0.00 H new ATOM 0 HB3 PRO A 9 1.064 16.634 4.426 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.851 15.804 6.562 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.205 17.395 6.212 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.744 16.824 5.571 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.778 17.805 4.486 1.00 0.00 H new ATOM 15 N GLY A 10 0.701 13.322 3.017 1.00 0.00 N ATOM 16 CA GLY A 10 0.919 11.893 2.908 1.00 0.00 C ATOM 17 C GLY A 10 2.265 11.559 2.293 1.00 0.00 C ATOM 18 O GLY A 10 2.978 12.446 1.827 1.00 0.00 O ATOM 0 H GLY A 10 1.429 13.899 2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.853 11.441 3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.127 11.452 2.303 1.00 0.00 H new ATOM 22 N LEU A 11 2.614 10.275 2.293 1.00 0.00 N ATOM 23 CA LEU A 11 3.880 9.829 1.735 1.00 0.00 C ATOM 24 C LEU A 11 3.879 9.967 0.214 1.00 0.00 C ATOM 25 O LEU A 11 2.846 9.792 -0.433 1.00 0.00 O ATOM 26 CB LEU A 11 4.165 8.379 2.139 1.00 0.00 C ATOM 27 CG LEU A 11 3.641 7.973 3.523 1.00 0.00 C ATOM 28 CD1 LEU A 11 2.529 6.943 3.393 1.00 0.00 C ATOM 29 CD2 LEU A 11 4.769 7.435 4.393 1.00 0.00 C ATOM 0 H LEU A 11 2.035 9.527 2.674 1.00 0.00 H new ATOM 0 HA LEU A 11 4.671 10.463 2.137 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.725 7.717 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.243 8.216 2.114 1.00 0.00 H new ATOM 0 HG LEU A 11 3.233 8.861 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.170 6.668 4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.707 7.366 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.911 6.057 2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.373 7.154 5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.212 6.561 3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.531 8.205 4.518 1.00 0.00 H new ATOM 41 N GLN A 12 5.038 10.294 -0.349 1.00 0.00 N ATOM 42 CA GLN A 12 5.167 10.471 -1.789 1.00 0.00 C ATOM 43 C GLN A 12 4.779 9.204 -2.551 1.00 0.00 C ATOM 44 O GLN A 12 5.148 8.094 -2.168 1.00 0.00 O ATOM 45 CB GLN A 12 6.597 10.881 -2.150 1.00 0.00 C ATOM 46 CG GLN A 12 6.679 12.172 -2.950 1.00 0.00 C ATOM 47 CD GLN A 12 5.753 12.179 -4.153 1.00 0.00 C ATOM 48 OE1 GLN A 12 5.133 13.196 -4.467 1.00 0.00 O ATOM 49 NE2 GLN A 12 5.653 11.042 -4.833 1.00 0.00 N ATOM 0 H GLN A 12 5.902 10.442 0.172 1.00 0.00 H new ATOM 0 HA GLN A 12 4.480 11.264 -2.084 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.175 10.995 -1.233 1.00 0.00 H new ATOM 0 HB3 GLN A 12 7.062 10.079 -2.723 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.431 13.012 -2.301 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.705 12.321 -3.286 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.185 10.223 -4.538 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.045 10.988 -5.650 1.00 0.00 H new ATOM 58 N ILE A 13 4.032 9.392 -3.633 1.00 0.00 N ATOM 59 CA ILE A 13 3.575 8.293 -4.471 1.00 0.00 C ATOM 60 C ILE A 13 4.722 7.632 -5.231 1.00 0.00 C ATOM 61 O ILE A 13 5.576 8.309 -5.806 1.00 0.00 O ATOM 62 CB ILE A 13 2.547 8.806 -5.493 1.00 0.00 C ATOM 63 CG1 ILE A 13 1.407 9.524 -4.768 1.00 0.00 C ATOM 64 CG2 ILE A 13 2.021 7.673 -6.367 1.00 0.00 C ATOM 65 CD1 ILE A 13 0.399 8.584 -4.145 1.00 0.00 C ATOM 0 H ILE A 13 3.727 10.311 -3.953 1.00 0.00 H new ATOM 0 HA ILE A 13 3.127 7.553 -3.808 1.00 0.00 H new ATOM 0 HB ILE A 13 3.041 9.517 -6.155 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.827 10.161 -3.990 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.894 10.178 -5.473 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.296 8.069 -7.079 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.850 7.217 -6.909 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.540 6.922 -5.739 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.380 9.163 -3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.049 7.964 -4.922 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.898 7.947 -3.415 1.00 0.00 H new ATOM 77 N TYR A 14 4.710 6.303 -5.254 1.00 0.00 N ATOM 78 CA TYR A 14 5.719 5.529 -5.967 1.00 0.00 C ATOM 79 C TYR A 14 5.034 4.551 -6.916 1.00 0.00 C ATOM 80 O TYR A 14 3.839 4.288 -6.780 1.00 0.00 O ATOM 81 CB TYR A 14 6.610 4.759 -4.991 1.00 0.00 C ATOM 82 CG TYR A 14 7.140 5.589 -3.846 1.00 0.00 C ATOM 83 CD1 TYR A 14 7.505 6.915 -4.029 1.00 0.00 C ATOM 84 CD2 TYR A 14 7.285 5.038 -2.580 1.00 0.00 C ATOM 85 CE1 TYR A 14 8.000 7.668 -2.981 1.00 0.00 C ATOM 86 CE2 TYR A 14 7.773 5.782 -1.529 1.00 0.00 C ATOM 87 CZ TYR A 14 8.131 7.098 -1.732 1.00 0.00 C ATOM 88 OH TYR A 14 8.622 7.845 -0.686 1.00 0.00 O ATOM 0 H TYR A 14 4.006 5.736 -4.782 1.00 0.00 H new ATOM 0 HA TYR A 14 6.346 6.218 -6.534 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.044 3.920 -4.585 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.453 4.339 -5.540 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.401 7.366 -5.005 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.010 4.007 -2.416 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.283 8.698 -3.139 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.875 5.337 -0.550 1.00 0.00 H new ATOM 0 HH TYR A 14 8.650 7.295 0.124 1.00 0.00 H new ATOM 98 N PRO A 15 5.767 4.001 -7.897 1.00 0.00 N ATOM 99 CA PRO A 15 5.196 3.061 -8.860 1.00 0.00 C ATOM 100 C PRO A 15 5.053 1.643 -8.310 1.00 0.00 C ATOM 101 O PRO A 15 5.445 0.678 -8.964 1.00 0.00 O ATOM 102 CB PRO A 15 6.201 3.095 -10.007 1.00 0.00 C ATOM 103 CG PRO A 15 7.506 3.393 -9.352 1.00 0.00 C ATOM 104 CD PRO A 15 7.196 4.259 -8.156 1.00 0.00 C ATOM 0 HA PRO A 15 4.181 3.340 -9.143 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.231 2.143 -10.536 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.941 3.859 -10.740 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.006 2.474 -9.046 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.177 3.907 -10.040 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.813 3.992 -7.298 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.381 5.312 -8.366 1.00 0.00 H new ATOM 112 N TYR A 16 4.458 1.529 -7.124 1.00 0.00 N ATOM 113 CA TYR A 16 4.226 0.223 -6.490 1.00 0.00 C ATOM 114 C TYR A 16 5.508 -0.589 -6.345 1.00 0.00 C ATOM 115 O TYR A 16 6.027 -0.771 -5.245 1.00 0.00 O ATOM 116 CB TYR A 16 3.202 -0.566 -7.315 1.00 0.00 C ATOM 117 CG TYR A 16 2.741 -1.874 -6.695 1.00 0.00 C ATOM 118 CD1 TYR A 16 2.137 -1.910 -5.442 1.00 0.00 C ATOM 119 CD2 TYR A 16 2.881 -3.073 -7.386 1.00 0.00 C ATOM 120 CE1 TYR A 16 1.694 -3.101 -4.895 1.00 0.00 C ATOM 121 CE2 TYR A 16 2.433 -4.266 -6.849 1.00 0.00 C ATOM 122 CZ TYR A 16 1.841 -4.274 -5.604 1.00 0.00 C ATOM 123 OH TYR A 16 1.394 -5.460 -5.068 1.00 0.00 O ATOM 0 H TYR A 16 4.126 2.324 -6.578 1.00 0.00 H new ATOM 0 HA TYR A 16 3.845 0.406 -5.485 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.330 0.066 -7.482 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.634 -0.778 -8.293 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.012 -0.992 -4.887 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.348 -3.072 -8.360 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.235 -3.112 -3.917 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.546 -5.187 -7.402 1.00 0.00 H new ATOM 0 HH TYR A 16 1.769 -5.575 -4.170 1.00 0.00 H new ATOM 133 N GLU A 17 5.992 -1.083 -7.468 1.00 0.00 N ATOM 134 CA GLU A 17 7.201 -1.902 -7.522 1.00 0.00 C ATOM 135 C GLU A 17 8.327 -1.298 -6.692 1.00 0.00 C ATOM 136 O GLU A 17 9.189 -2.013 -6.183 1.00 0.00 O ATOM 137 CB GLU A 17 7.660 -2.072 -8.971 1.00 0.00 C ATOM 138 CG GLU A 17 8.055 -0.768 -9.643 1.00 0.00 C ATOM 139 CD GLU A 17 7.631 -0.709 -11.098 1.00 0.00 C ATOM 140 OE1 GLU A 17 7.838 -1.710 -11.816 1.00 0.00 O ATOM 141 OE2 GLU A 17 7.092 0.336 -11.518 1.00 0.00 O ATOM 0 H GLU A 17 5.559 -0.930 -8.379 1.00 0.00 H new ATOM 0 HA GLU A 17 6.957 -2.877 -7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.509 -2.755 -8.996 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.859 -2.538 -9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.605 0.065 -9.103 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.136 -0.643 -9.578 1.00 0.00 H new ATOM 148 N MET A 18 8.309 0.020 -6.556 1.00 0.00 N ATOM 149 CA MET A 18 9.328 0.713 -5.781 1.00 0.00 C ATOM 150 C MET A 18 9.280 0.263 -4.326 1.00 0.00 C ATOM 151 O MET A 18 10.288 0.277 -3.619 1.00 0.00 O ATOM 152 CB MET A 18 9.131 2.228 -5.871 1.00 0.00 C ATOM 153 CG MET A 18 10.004 2.893 -6.923 1.00 0.00 C ATOM 154 SD MET A 18 11.765 2.658 -6.612 1.00 0.00 S ATOM 155 CE MET A 18 12.465 3.330 -8.119 1.00 0.00 C ATOM 0 H MET A 18 7.603 0.629 -6.970 1.00 0.00 H new ATOM 0 HA MET A 18 10.306 0.465 -6.194 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.085 2.437 -6.094 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.345 2.672 -4.899 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.755 2.489 -7.904 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.783 3.960 -6.952 1.00 0.00 H new ATOM 0 HE1 MET A 18 13.552 3.257 -8.080 1.00 0.00 H new ATOM 0 HE2 MET A 18 12.094 2.767 -8.975 1.00 0.00 H new ATOM 0 HE3 MET A 18 12.175 4.376 -8.220 1.00 0.00 H new ATOM 165 N LEU A 19 8.091 -0.135 -3.895 1.00 0.00 N ATOM 166 CA LEU A 19 7.863 -0.594 -2.536 1.00 0.00 C ATOM 167 C LEU A 19 7.661 -2.107 -2.500 1.00 0.00 C ATOM 168 O LEU A 19 7.923 -2.758 -1.488 1.00 0.00 O ATOM 169 CB LEU A 19 6.624 0.101 -1.987 1.00 0.00 C ATOM 170 CG LEU A 19 6.645 1.625 -2.111 1.00 0.00 C ATOM 171 CD1 LEU A 19 5.503 2.111 -2.994 1.00 0.00 C ATOM 172 CD2 LEU A 19 6.580 2.267 -0.736 1.00 0.00 C ATOM 0 H LEU A 19 7.256 -0.148 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 19 8.734 -0.353 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.747 -0.281 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.510 -0.164 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 19 7.582 1.921 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.538 3.198 -3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.602 1.676 -3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.551 1.807 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.596 3.352 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.660 1.964 -0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.437 1.947 -0.144 1.00 0.00 H new ATOM 184 N VAL A 20 7.180 -2.651 -3.612 1.00 0.00 N ATOM 185 CA VAL A 20 6.918 -4.082 -3.727 1.00 0.00 C ATOM 186 C VAL A 20 8.206 -4.896 -3.742 1.00 0.00 C ATOM 187 O VAL A 20 9.054 -4.725 -4.617 1.00 0.00 O ATOM 188 CB VAL A 20 6.113 -4.396 -4.997 1.00 0.00 C ATOM 189 CG1 VAL A 20 5.565 -5.810 -4.939 1.00 0.00 C ATOM 190 CG2 VAL A 20 4.985 -3.392 -5.182 1.00 0.00 C ATOM 0 H VAL A 20 6.962 -2.118 -4.454 1.00 0.00 H new ATOM 0 HA VAL A 20 6.337 -4.363 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 20 6.781 -4.318 -5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.997 -6.018 -5.846 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.391 -6.517 -4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.913 -5.912 -4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.428 -3.633 -6.087 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.316 -3.434 -4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.402 -2.389 -5.269 1.00 0.00 H new ATOM 200 N VAL A 21 8.339 -5.786 -2.764 1.00 0.00 N ATOM 201 CA VAL A 21 9.508 -6.635 -2.652 1.00 0.00 C ATOM 202 C VAL A 21 9.337 -7.914 -3.467 1.00 0.00 C ATOM 203 O VAL A 21 8.431 -8.707 -3.209 1.00 0.00 O ATOM 204 CB VAL A 21 9.790 -7.005 -1.184 1.00 0.00 C ATOM 205 CG1 VAL A 21 11.085 -7.791 -1.072 1.00 0.00 C ATOM 206 CG2 VAL A 21 9.840 -5.755 -0.318 1.00 0.00 C ATOM 0 H VAL A 21 7.642 -5.935 -2.034 1.00 0.00 H new ATOM 0 HA VAL A 21 10.353 -6.069 -3.045 1.00 0.00 H new ATOM 0 HB VAL A 21 8.977 -7.635 -0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.268 -8.044 -0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.007 -8.706 -1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.911 -7.188 -1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.040 -6.036 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.632 -5.097 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.884 -5.235 -0.374 1.00 0.00 H new ATOM 216 N THR A 22 10.207 -8.109 -4.453 1.00 0.00 N ATOM 217 CA THR A 22 10.147 -9.281 -5.302 1.00 0.00 C ATOM 218 C THR A 22 11.510 -9.964 -5.413 1.00 0.00 C ATOM 219 O THR A 22 11.784 -10.655 -6.394 1.00 0.00 O ATOM 220 CB THR A 22 9.638 -8.902 -6.688 1.00 0.00 C ATOM 221 OG1 THR A 22 9.300 -7.527 -6.748 1.00 0.00 O ATOM 222 CG2 THR A 22 8.422 -9.694 -7.118 1.00 0.00 C ATOM 0 H THR A 22 10.963 -7.464 -4.680 1.00 0.00 H new ATOM 0 HA THR A 22 9.454 -9.987 -4.845 1.00 0.00 H new ATOM 0 HB THR A 22 10.461 -9.132 -7.365 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.978 -7.308 -7.647 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.112 -9.374 -8.113 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.668 -10.756 -7.139 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.609 -9.524 -6.413 1.00 0.00 H new ATOM 230 N ASN A 23 12.357 -9.778 -4.404 1.00 0.00 N ATOM 231 CA ASN A 23 13.682 -10.386 -4.399 1.00 0.00 C ATOM 232 C ASN A 23 14.447 -10.051 -3.120 1.00 0.00 C ATOM 233 O ASN A 23 15.668 -9.899 -3.141 1.00 0.00 O ATOM 234 CB ASN A 23 14.486 -9.926 -5.617 1.00 0.00 C ATOM 235 CG ASN A 23 15.594 -10.897 -5.978 1.00 0.00 C ATOM 236 OD1 ASN A 23 16.759 -10.516 -6.088 1.00 0.00 O ATOM 237 ND2 ASN A 23 15.235 -12.163 -6.164 1.00 0.00 N ATOM 0 H ASN A 23 12.149 -9.212 -3.581 1.00 0.00 H new ATOM 0 HA ASN A 23 13.547 -11.467 -4.443 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.816 -9.810 -6.469 1.00 0.00 H new ATOM 0 HB3 ASN A 23 14.917 -8.945 -5.415 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.937 -12.862 -6.408 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.257 -12.436 -6.063 1.00 0.00 H new ATOM 244 N LYS A 24 13.723 -9.946 -2.009 1.00 0.00 N ATOM 245 CA LYS A 24 14.330 -9.637 -0.718 1.00 0.00 C ATOM 246 C LYS A 24 13.252 -9.507 0.360 1.00 0.00 C ATOM 247 O LYS A 24 12.123 -9.958 0.170 1.00 0.00 O ATOM 248 CB LYS A 24 15.164 -8.351 -0.804 1.00 0.00 C ATOM 249 CG LYS A 24 14.369 -7.125 -1.224 1.00 0.00 C ATOM 250 CD LYS A 24 14.088 -7.123 -2.719 1.00 0.00 C ATOM 251 CE LYS A 24 13.630 -5.755 -3.196 1.00 0.00 C ATOM 252 NZ LYS A 24 13.637 -5.653 -4.682 1.00 0.00 N ATOM 0 H LYS A 24 12.711 -10.071 -1.977 1.00 0.00 H new ATOM 0 HA LYS A 24 14.995 -10.457 -0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.620 -8.160 0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.977 -8.504 -1.513 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.427 -7.097 -0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.921 -6.224 -0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.988 -7.416 -3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.323 -7.865 -2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.625 -5.559 -2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.281 -4.988 -2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.318 -4.705 -4.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.601 -5.815 -5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.996 -6.368 -5.082 1.00 0.00 H new ATOM 266 N GLY A 25 13.603 -8.900 1.492 1.00 0.00 N ATOM 267 CA GLY A 25 12.640 -8.740 2.567 1.00 0.00 C ATOM 268 C GLY A 25 13.201 -7.980 3.754 1.00 0.00 C ATOM 269 O GLY A 25 12.517 -7.143 4.341 1.00 0.00 O ATOM 0 H GLY A 25 14.530 -8.519 1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.763 -8.215 2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.305 -9.723 2.897 1.00 0.00 H new ATOM 273 N ARG A 26 14.446 -8.279 4.115 1.00 0.00 N ATOM 274 CA ARG A 26 15.091 -7.627 5.242 1.00 0.00 C ATOM 275 C ARG A 26 15.582 -6.222 4.887 1.00 0.00 C ATOM 276 O ARG A 26 16.176 -5.538 5.718 1.00 0.00 O ATOM 277 CB ARG A 26 16.260 -8.475 5.745 1.00 0.00 C ATOM 278 CG ARG A 26 15.832 -9.811 6.333 1.00 0.00 C ATOM 279 CD ARG A 26 16.139 -10.964 5.390 1.00 0.00 C ATOM 280 NE ARG A 26 15.012 -11.885 5.264 1.00 0.00 N ATOM 281 CZ ARG A 26 15.118 -13.128 4.802 1.00 0.00 C ATOM 282 NH1 ARG A 26 16.297 -13.604 4.422 1.00 0.00 N ATOM 283 NH2 ARG A 26 14.041 -13.899 4.720 1.00 0.00 N ATOM 0 H ARG A 26 15.026 -8.971 3.640 1.00 0.00 H new ATOM 0 HA ARG A 26 14.345 -7.528 6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 26 16.950 -8.654 4.920 1.00 0.00 H new ATOM 0 HB3 ARG A 26 16.807 -7.913 6.502 1.00 0.00 H new ATOM 0 HG2 ARG A 26 16.343 -9.971 7.282 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.763 -9.789 6.546 1.00 0.00 H new ATOM 0 HD2 ARG A 26 16.396 -10.569 4.407 1.00 0.00 H new ATOM 0 HD3 ARG A 26 17.012 -11.507 5.754 1.00 0.00 H new ATOM 0 HE ARG A 26 14.089 -11.555 5.547 1.00 0.00 H new ATOM 0 HH11 ARG A 26 17.128 -13.016 4.483 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.372 -14.558 4.069 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.132 -13.538 5.011 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.122 -14.852 4.366 1.00 0.00 H new ATOM 297 N THR A 27 15.336 -5.800 3.650 1.00 0.00 N ATOM 298 CA THR A 27 15.760 -4.482 3.198 1.00 0.00 C ATOM 299 C THR A 27 14.994 -3.376 3.903 1.00 0.00 C ATOM 300 O THR A 27 13.928 -3.600 4.477 1.00 0.00 O ATOM 301 CB THR A 27 15.599 -4.327 1.684 1.00 0.00 C ATOM 302 OG1 THR A 27 15.450 -2.964 1.333 1.00 0.00 O ATOM 303 CG2 THR A 27 14.419 -5.080 1.108 1.00 0.00 C ATOM 0 H THR A 27 14.846 -6.351 2.945 1.00 0.00 H new ATOM 0 HA THR A 27 16.817 -4.393 3.450 1.00 0.00 H new ATOM 0 HB THR A 27 16.510 -4.753 1.263 1.00 0.00 H new ATOM 0 HG1 THR A 27 15.350 -2.885 0.361 1.00 0.00 H new ATOM 0 HG21 THR A 27 14.375 -4.919 0.031 1.00 0.00 H new ATOM 0 HG22 THR A 27 14.533 -6.145 1.311 1.00 0.00 H new ATOM 0 HG23 THR A 27 13.498 -4.720 1.567 1.00 0.00 H new ATOM 311 N LYS A 28 15.553 -2.178 3.842 1.00 0.00 N ATOM 312 CA LYS A 28 14.939 -1.010 4.462 1.00 0.00 C ATOM 313 C LYS A 28 13.961 -0.345 3.499 1.00 0.00 C ATOM 314 O LYS A 28 14.109 -0.447 2.281 1.00 0.00 O ATOM 315 CB LYS A 28 16.010 -0.007 4.894 1.00 0.00 C ATOM 316 CG LYS A 28 17.046 0.278 3.819 1.00 0.00 C ATOM 317 CD LYS A 28 18.386 -0.359 4.153 1.00 0.00 C ATOM 318 CE LYS A 28 19.441 -0.009 3.118 1.00 0.00 C ATOM 319 NZ LYS A 28 20.599 -0.944 3.167 1.00 0.00 N ATOM 0 H LYS A 28 16.435 -1.986 3.367 1.00 0.00 H new ATOM 0 HA LYS A 28 14.392 -1.341 5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 28 15.527 0.928 5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 28 16.515 -0.387 5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 28 16.691 -0.101 2.861 1.00 0.00 H new ATOM 0 HG3 LYS A 28 17.171 1.355 3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.714 -0.024 5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.272 -1.442 4.207 1.00 0.00 H new ATOM 0 HE2 LYS A 28 18.996 -0.034 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 28 19.790 1.010 3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 21.296 -0.671 2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 21.040 -0.902 4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 20.271 -1.913 2.982 1.00 0.00 H new ATOM 333 N LEU A 29 12.959 0.328 4.052 1.00 0.00 N ATOM 334 CA LEU A 29 11.955 0.999 3.246 1.00 0.00 C ATOM 335 C LEU A 29 12.466 2.339 2.724 1.00 0.00 C ATOM 336 O LEU A 29 13.382 2.929 3.297 1.00 0.00 O ATOM 337 CB LEU A 29 10.683 1.221 4.062 1.00 0.00 C ATOM 338 CG LEU A 29 9.716 0.036 4.115 1.00 0.00 C ATOM 339 CD1 LEU A 29 8.418 0.449 4.790 1.00 0.00 C ATOM 340 CD2 LEU A 29 9.446 -0.503 2.717 1.00 0.00 C ATOM 0 H LEU A 29 12.823 0.422 5.059 1.00 0.00 H new ATOM 0 HA LEU A 29 11.734 0.358 2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.968 1.480 5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.154 2.080 3.650 1.00 0.00 H new ATOM 0 HG LEU A 29 10.176 -0.760 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.738 -0.402 4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.627 0.785 5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.957 1.261 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.756 -1.345 2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.006 0.283 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.382 -0.833 2.267 1.00 0.00 H new ATOM 352 N PRO A 30 11.871 2.842 1.628 1.00 0.00 N ATOM 353 CA PRO A 30 12.265 4.124 1.035 1.00 0.00 C ATOM 354 C PRO A 30 12.169 5.270 2.039 1.00 0.00 C ATOM 355 O PRO A 30 11.525 5.140 3.080 1.00 0.00 O ATOM 356 CB PRO A 30 11.256 4.326 -0.101 1.00 0.00 C ATOM 357 CG PRO A 30 10.751 2.959 -0.413 1.00 0.00 C ATOM 358 CD PRO A 30 10.768 2.206 0.887 1.00 0.00 C ATOM 0 HA PRO A 30 13.302 4.115 0.699 1.00 0.00 H new ATOM 0 HB2 PRO A 30 10.445 4.987 0.204 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.728 4.781 -0.972 1.00 0.00 H new ATOM 0 HG2 PRO A 30 9.744 3.000 -0.827 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.381 2.470 -1.156 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.820 2.297 1.418 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.946 1.142 0.734 1.00 0.00 H new ATOM 366 N PRO A 31 12.814 6.411 1.742 1.00 0.00 N ATOM 367 CA PRO A 31 12.799 7.579 2.629 1.00 0.00 C ATOM 368 C PRO A 31 11.387 8.089 2.896 1.00 0.00 C ATOM 369 O PRO A 31 10.813 8.813 2.084 1.00 0.00 O ATOM 370 CB PRO A 31 13.607 8.631 1.862 1.00 0.00 C ATOM 371 CG PRO A 31 14.429 7.855 0.891 1.00 0.00 C ATOM 372 CD PRO A 31 13.608 6.653 0.526 1.00 0.00 C ATOM 0 HA PRO A 31 13.209 7.342 3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.952 9.335 1.350 1.00 0.00 H new ATOM 0 HB3 PRO A 31 14.236 9.213 2.535 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.660 8.453 0.009 1.00 0.00 H new ATOM 0 HG3 PRO A 31 15.380 7.559 1.333 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.973 6.846 -0.339 1.00 0.00 H new ATOM 0 HD3 PRO A 31 14.235 5.797 0.277 1.00 0.00 H new ATOM 380 N GLY A 32 10.834 7.708 4.043 1.00 0.00 N ATOM 381 CA GLY A 32 9.496 8.140 4.402 1.00 0.00 C ATOM 382 C GLY A 32 8.423 7.191 3.908 1.00 0.00 C ATOM 383 O GLY A 32 7.647 7.533 3.017 1.00 0.00 O ATOM 0 H GLY A 32 11.289 7.107 4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.426 8.229 5.486 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.316 9.132 3.989 1.00 0.00 H new ATOM 387 N VAL A 33 8.378 5.995 4.488 1.00 0.00 N ATOM 388 CA VAL A 33 7.402 4.996 4.109 1.00 0.00 C ATOM 389 C VAL A 33 6.678 4.425 5.307 1.00 0.00 C ATOM 390 O VAL A 33 7.200 4.389 6.421 1.00 0.00 O ATOM 391 CB VAL A 33 8.033 3.861 3.300 1.00 0.00 C ATOM 392 CG1 VAL A 33 7.028 2.748 3.033 1.00 0.00 C ATOM 393 CG2 VAL A 33 8.598 4.408 2.007 1.00 0.00 C ATOM 0 H VAL A 33 9.015 5.699 5.228 1.00 0.00 H new ATOM 0 HA VAL A 33 6.675 5.510 3.480 1.00 0.00 H new ATOM 0 HB VAL A 33 8.846 3.428 3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.506 1.956 2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.673 2.343 3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.184 3.147 2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.046 3.597 1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.798 4.865 1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.357 5.157 2.230 1.00 0.00 H new ATOM 403 N ASP A 34 5.454 3.998 5.056 1.00 0.00 N ATOM 404 CA ASP A 34 4.610 3.439 6.083 1.00 0.00 C ATOM 405 C ASP A 34 4.397 1.947 5.860 1.00 0.00 C ATOM 406 O ASP A 34 3.538 1.543 5.076 1.00 0.00 O ATOM 407 CB ASP A 34 3.278 4.176 6.062 1.00 0.00 C ATOM 408 CG ASP A 34 2.788 4.538 7.450 1.00 0.00 C ATOM 409 OD1 ASP A 34 2.373 3.621 8.191 1.00 0.00 O ATOM 410 OD2 ASP A 34 2.819 5.737 7.797 1.00 0.00 O ATOM 0 H ASP A 34 5.022 4.031 4.133 1.00 0.00 H new ATOM 0 HA ASP A 34 5.089 3.559 7.055 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.379 5.085 5.468 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.531 3.554 5.568 1.00 0.00 H new ATOM 415 N ARG A 35 5.183 1.134 6.556 1.00 0.00 N ATOM 416 CA ARG A 35 5.084 -0.318 6.442 1.00 0.00 C ATOM 417 C ARG A 35 3.635 -0.781 6.576 1.00 0.00 C ATOM 418 O ARG A 35 3.166 -1.622 5.809 1.00 0.00 O ATOM 419 CB ARG A 35 5.947 -0.991 7.510 1.00 0.00 C ATOM 420 CG ARG A 35 6.648 -2.250 7.023 1.00 0.00 C ATOM 421 CD ARG A 35 8.071 -2.338 7.552 1.00 0.00 C ATOM 422 NE ARG A 35 8.138 -2.081 8.989 1.00 0.00 N ATOM 423 CZ ARG A 35 9.244 -2.227 9.716 1.00 0.00 C ATOM 424 NH1 ARG A 35 10.375 -2.625 9.147 1.00 0.00 N ATOM 425 NH2 ARG A 35 9.220 -1.971 11.018 1.00 0.00 N ATOM 0 H ARG A 35 5.899 1.456 7.208 1.00 0.00 H new ATOM 0 HA ARG A 35 5.446 -0.605 5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.696 -0.281 7.860 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.321 -1.242 8.366 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.085 -3.127 7.343 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.663 -2.261 5.933 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.475 -3.328 7.342 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.699 -1.619 7.026 1.00 0.00 H new ATOM 0 HE ARG A 35 7.289 -1.772 9.462 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.401 -2.821 8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.218 -2.735 9.710 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.355 -1.663 11.461 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.067 -2.083 11.575 1.00 0.00 H new ATOM 439 N MET A 36 2.932 -0.227 7.559 1.00 0.00 N ATOM 440 CA MET A 36 1.543 -0.578 7.802 1.00 0.00 C ATOM 441 C MET A 36 0.590 0.301 6.991 1.00 0.00 C ATOM 442 O MET A 36 -0.625 0.258 7.189 1.00 0.00 O ATOM 443 CB MET A 36 1.221 -0.452 9.290 1.00 0.00 C ATOM 444 CG MET A 36 1.683 -1.641 10.115 1.00 0.00 C ATOM 445 SD MET A 36 2.150 -1.180 11.796 1.00 0.00 S ATOM 446 CE MET A 36 3.904 -0.881 11.590 1.00 0.00 C ATOM 0 H MET A 36 3.307 0.470 8.202 1.00 0.00 H new ATOM 0 HA MET A 36 1.403 -1.611 7.484 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.688 0.453 9.679 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.144 -0.333 9.411 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.886 -2.383 10.154 1.00 0.00 H new ATOM 0 HG3 MET A 36 2.533 -2.112 9.622 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.337 -0.586 12.546 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.389 -1.791 11.237 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.054 -0.084 10.862 1.00 0.00 H new ATOM 456 N ARG A 37 1.142 1.098 6.081 1.00 0.00 N ATOM 457 CA ARG A 37 0.335 1.981 5.248 1.00 0.00 C ATOM 458 C ARG A 37 1.017 2.213 3.903 1.00 0.00 C ATOM 459 O ARG A 37 1.159 3.348 3.447 1.00 0.00 O ATOM 460 CB ARG A 37 0.095 3.315 5.962 1.00 0.00 C ATOM 461 CG ARG A 37 -1.371 3.706 6.043 1.00 0.00 C ATOM 462 CD ARG A 37 -2.014 3.193 7.323 1.00 0.00 C ATOM 463 NE ARG A 37 -1.883 4.145 8.423 1.00 0.00 N ATOM 464 CZ ARG A 37 -2.663 5.213 8.577 1.00 0.00 C ATOM 465 NH1 ARG A 37 -3.623 5.474 7.698 1.00 0.00 N ATOM 466 NH2 ARG A 37 -2.481 6.023 9.611 1.00 0.00 N ATOM 0 H ARG A 37 2.145 1.150 5.902 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.629 1.505 5.070 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.503 3.256 6.971 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.644 4.100 5.442 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.462 4.791 5.998 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.904 3.305 5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.070 2.991 7.142 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.553 2.247 7.606 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.151 3.982 9.114 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.766 4.855 6.900 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.218 6.294 7.821 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.744 5.828 10.288 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.078 6.841 9.729 1.00 0.00 H new ATOM 480 N LEU A 38 1.439 1.121 3.277 1.00 0.00 N ATOM 481 CA LEU A 38 2.112 1.181 1.991 1.00 0.00 C ATOM 482 C LEU A 38 1.171 1.682 0.905 1.00 0.00 C ATOM 483 O LEU A 38 1.591 2.308 -0.068 1.00 0.00 O ATOM 484 CB LEU A 38 2.628 -0.215 1.629 1.00 0.00 C ATOM 485 CG LEU A 38 4.140 -0.433 1.752 1.00 0.00 C ATOM 486 CD1 LEU A 38 4.907 0.782 1.264 1.00 0.00 C ATOM 487 CD2 LEU A 38 4.514 -0.757 3.190 1.00 0.00 C ATOM 0 H LEU A 38 1.324 0.177 3.645 1.00 0.00 H new ATOM 0 HA LEU A 38 2.946 1.879 2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.125 -0.942 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.333 -0.433 0.603 1.00 0.00 H new ATOM 0 HG LEU A 38 4.413 -1.279 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.977 0.600 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.665 0.969 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.630 1.651 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.591 -0.909 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.221 0.070 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.998 -1.664 3.505 1.00 0.00 H new ATOM 499 N GLU A 39 -0.102 1.394 1.090 1.00 0.00 N ATOM 500 CA GLU A 39 -1.145 1.796 0.145 1.00 0.00 C ATOM 501 C GLU A 39 -1.072 3.289 -0.146 1.00 0.00 C ATOM 502 O GLU A 39 -1.446 3.741 -1.229 1.00 0.00 O ATOM 503 CB GLU A 39 -2.533 1.443 0.686 1.00 0.00 C ATOM 504 CG GLU A 39 -2.648 1.544 2.198 1.00 0.00 C ATOM 505 CD GLU A 39 -2.496 0.198 2.878 1.00 0.00 C ATOM 506 OE1 GLU A 39 -3.312 -0.702 2.594 1.00 0.00 O ATOM 507 OE2 GLU A 39 -1.562 0.045 3.691 1.00 0.00 O ATOM 0 H GLU A 39 -0.450 0.876 1.896 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.977 1.250 -0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.269 2.105 0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.784 0.428 0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.885 2.226 2.573 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.616 1.973 2.459 1.00 0.00 H new ATOM 514 N ARG A 40 -0.592 4.053 0.828 1.00 0.00 N ATOM 515 CA ARG A 40 -0.476 5.495 0.677 1.00 0.00 C ATOM 516 C ARG A 40 0.604 5.870 -0.335 1.00 0.00 C ATOM 517 O ARG A 40 0.716 7.029 -0.734 1.00 0.00 O ATOM 518 CB ARG A 40 -0.186 6.156 2.025 1.00 0.00 C ATOM 519 CG ARG A 40 -1.438 6.465 2.830 1.00 0.00 C ATOM 520 CD ARG A 40 -2.080 7.771 2.386 1.00 0.00 C ATOM 521 NE ARG A 40 -3.493 7.602 2.052 1.00 0.00 N ATOM 522 CZ ARG A 40 -4.180 8.447 1.288 1.00 0.00 C ATOM 523 NH1 ARG A 40 -3.592 9.521 0.776 1.00 0.00 N ATOM 524 NH2 ARG A 40 -5.462 8.218 1.034 1.00 0.00 N ATOM 0 H ARG A 40 -0.277 3.696 1.730 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.431 5.861 0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.460 5.502 2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.365 7.081 1.856 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.154 5.650 2.718 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.185 6.524 3.889 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.981 8.511 3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.547 8.160 1.519 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.981 6.788 2.427 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.607 9.703 0.967 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.125 10.164 0.191 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.920 7.395 1.424 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.989 8.865 0.448 1.00 0.00 H new ATOM 538 N HIS A 41 1.391 4.886 -0.749 1.00 0.00 N ATOM 539 CA HIS A 41 2.456 5.116 -1.719 1.00 0.00 C ATOM 540 C HIS A 41 1.987 4.782 -3.127 1.00 0.00 C ATOM 541 O HIS A 41 2.473 5.351 -4.105 1.00 0.00 O ATOM 542 CB HIS A 41 3.686 4.285 -1.370 1.00 0.00 C ATOM 543 CG HIS A 41 4.408 4.785 -0.164 1.00 0.00 C ATOM 544 ND1 HIS A 41 5.271 5.856 -0.193 1.00 0.00 N ATOM 545 CD2 HIS A 41 4.379 4.363 1.119 1.00 0.00 C ATOM 546 CE1 HIS A 41 5.743 6.068 1.021 1.00 0.00 C ATOM 547 NE2 HIS A 41 5.213 5.178 1.838 1.00 0.00 N ATOM 0 H HIS A 41 1.313 3.921 -0.429 1.00 0.00 H new ATOM 0 HA HIS A 41 2.722 6.173 -1.683 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.383 3.252 -1.202 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.369 4.283 -2.220 1.00 0.00 H new ATOM 0 HD1 HIS A 41 5.509 6.400 -1.022 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.804 3.535 1.507 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.445 6.840 1.299 1.00 0.00 H new ATOM 556 N LEU A 42 1.037 3.861 -3.226 1.00 0.00 N ATOM 557 CA LEU A 42 0.499 3.458 -4.502 1.00 0.00 C ATOM 558 C LEU A 42 -0.152 4.628 -5.204 1.00 0.00 C ATOM 559 O LEU A 42 -0.989 5.324 -4.629 1.00 0.00 O ATOM 560 CB LEU A 42 -0.546 2.373 -4.287 1.00 0.00 C ATOM 561 CG LEU A 42 -0.094 0.940 -4.544 1.00 0.00 C ATOM 562 CD1 LEU A 42 -1.308 0.086 -4.837 1.00 0.00 C ATOM 563 CD2 LEU A 42 0.887 0.877 -5.706 1.00 0.00 C ATOM 0 H LEU A 42 0.626 3.380 -2.426 1.00 0.00 H new ATOM 0 HA LEU A 42 1.316 3.084 -5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.903 2.440 -3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.397 2.585 -4.934 1.00 0.00 H new ATOM 0 HG LEU A 42 0.417 0.564 -3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.994 -0.941 -5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.985 0.110 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.821 0.473 -5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.193 -0.156 -5.868 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.408 1.259 -6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.763 1.483 -5.476 1.00 0.00 H new ATOM 575 N SER A 43 0.202 4.817 -6.464 1.00 0.00 N ATOM 576 CA SER A 43 -0.395 5.874 -7.242 1.00 0.00 C ATOM 577 C SER A 43 -1.848 5.535 -7.485 1.00 0.00 C ATOM 578 O SER A 43 -2.259 4.382 -7.353 1.00 0.00 O ATOM 579 CB SER A 43 0.321 6.061 -8.569 1.00 0.00 C ATOM 580 OG SER A 43 0.798 7.387 -8.718 1.00 0.00 O ATOM 0 H SER A 43 0.893 4.255 -6.961 1.00 0.00 H new ATOM 0 HA SER A 43 -0.310 6.809 -6.688 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.156 5.363 -8.635 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.359 5.823 -9.387 1.00 0.00 H new ATOM 0 HG SER A 43 0.074 8.019 -8.525 1.00 0.00 H new ATOM 586 N ALA A 44 -2.623 6.532 -7.838 1.00 0.00 N ATOM 587 CA ALA A 44 -4.036 6.325 -8.097 1.00 0.00 C ATOM 588 C ALA A 44 -4.232 5.312 -9.212 1.00 0.00 C ATOM 589 O ALA A 44 -5.191 4.540 -9.211 1.00 0.00 O ATOM 590 CB ALA A 44 -4.709 7.637 -8.451 1.00 0.00 C ATOM 0 H ALA A 44 -2.305 7.494 -7.954 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.497 5.933 -7.190 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.768 7.463 -8.642 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.600 8.337 -7.623 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.243 8.056 -9.343 1.00 0.00 H new ATOM 596 N GLU A 45 -3.303 5.314 -10.154 1.00 0.00 N ATOM 597 CA GLU A 45 -3.346 4.404 -11.267 1.00 0.00 C ATOM 598 C GLU A 45 -2.967 3.006 -10.810 1.00 0.00 C ATOM 599 O GLU A 45 -3.282 2.019 -11.476 1.00 0.00 O ATOM 600 CB GLU A 45 -2.401 4.869 -12.375 1.00 0.00 C ATOM 601 CG GLU A 45 -2.647 6.300 -12.822 1.00 0.00 C ATOM 602 CD GLU A 45 -2.261 6.534 -14.269 1.00 0.00 C ATOM 603 OE1 GLU A 45 -1.254 5.946 -14.717 1.00 0.00 O ATOM 604 OE2 GLU A 45 -2.966 7.304 -14.955 1.00 0.00 O ATOM 0 H GLU A 45 -2.504 5.948 -10.161 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.361 4.385 -11.663 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.372 4.778 -12.026 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.506 4.206 -13.233 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.701 6.542 -12.687 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.080 6.978 -12.184 1.00 0.00 H new ATOM 611 N ASP A 46 -2.282 2.922 -9.668 1.00 0.00 N ATOM 612 CA ASP A 46 -1.870 1.643 -9.147 1.00 0.00 C ATOM 613 C ASP A 46 -2.885 1.089 -8.172 1.00 0.00 C ATOM 614 O ASP A 46 -3.231 -0.080 -8.253 1.00 0.00 O ATOM 615 CB ASP A 46 -0.500 1.716 -8.475 1.00 0.00 C ATOM 616 CG ASP A 46 0.630 1.876 -9.474 1.00 0.00 C ATOM 617 OD1 ASP A 46 0.603 1.188 -10.516 1.00 0.00 O ATOM 618 OD2 ASP A 46 1.540 2.690 -9.213 1.00 0.00 O ATOM 0 H ASP A 46 -2.009 3.724 -9.100 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.799 0.970 -10.002 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.485 2.554 -7.778 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.338 0.811 -7.890 1.00 0.00 H new ATOM 623 N PHE A 47 -3.373 1.916 -7.250 1.00 0.00 N ATOM 624 CA PHE A 47 -4.355 1.433 -6.296 1.00 0.00 C ATOM 625 C PHE A 47 -5.566 0.906 -7.038 1.00 0.00 C ATOM 626 O PHE A 47 -6.010 -0.225 -6.834 1.00 0.00 O ATOM 627 CB PHE A 47 -4.775 2.531 -5.323 1.00 0.00 C ATOM 628 CG PHE A 47 -5.815 2.060 -4.357 1.00 0.00 C ATOM 629 CD1 PHE A 47 -7.137 1.944 -4.753 1.00 0.00 C ATOM 630 CD2 PHE A 47 -5.469 1.703 -3.068 1.00 0.00 C ATOM 631 CE1 PHE A 47 -8.096 1.487 -3.878 1.00 0.00 C ATOM 632 CE2 PHE A 47 -6.424 1.240 -2.187 1.00 0.00 C ATOM 633 CZ PHE A 47 -7.742 1.134 -2.594 1.00 0.00 C ATOM 0 H PHE A 47 -3.111 2.896 -7.147 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.901 0.630 -5.715 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.901 2.880 -4.773 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.161 3.383 -5.883 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.419 2.215 -5.760 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.441 1.787 -2.747 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.124 1.405 -4.197 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.144 0.961 -1.182 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.493 0.775 -1.906 1.00 0.00 H new ATOM 643 N SER A 48 -6.081 1.749 -7.901 1.00 0.00 N ATOM 644 CA SER A 48 -7.244 1.421 -8.713 1.00 0.00 C ATOM 645 C SER A 48 -7.047 0.117 -9.467 1.00 0.00 C ATOM 646 O SER A 48 -7.995 -0.635 -9.692 1.00 0.00 O ATOM 647 CB SER A 48 -7.547 2.555 -9.694 1.00 0.00 C ATOM 648 OG SER A 48 -6.459 2.769 -10.577 1.00 0.00 O ATOM 0 H SER A 48 -5.710 2.685 -8.065 1.00 0.00 H new ATOM 0 HA SER A 48 -8.092 1.295 -8.040 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.443 2.315 -10.267 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.757 3.471 -9.142 1.00 0.00 H new ATOM 0 HG SER A 48 -5.908 3.508 -10.244 1.00 0.00 H new ATOM 654 N ARG A 49 -5.814 -0.141 -9.857 1.00 0.00 N ATOM 655 CA ARG A 49 -5.483 -1.348 -10.589 1.00 0.00 C ATOM 656 C ARG A 49 -5.006 -2.458 -9.661 1.00 0.00 C ATOM 657 O ARG A 49 -4.995 -3.634 -10.026 1.00 0.00 O ATOM 658 CB ARG A 49 -4.417 -1.054 -11.645 1.00 0.00 C ATOM 659 CG ARG A 49 -4.931 -0.233 -12.816 1.00 0.00 C ATOM 660 CD ARG A 49 -3.928 -0.200 -13.958 1.00 0.00 C ATOM 661 NE ARG A 49 -2.935 0.856 -13.782 1.00 0.00 N ATOM 662 CZ ARG A 49 -2.195 1.352 -14.773 1.00 0.00 C ATOM 663 NH1 ARG A 49 -2.331 0.888 -16.008 1.00 0.00 N ATOM 664 NH2 ARG A 49 -1.316 2.313 -14.525 1.00 0.00 N ATOM 0 H ARG A 49 -5.020 0.474 -9.678 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.392 -1.692 -11.081 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.589 -0.523 -11.175 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.019 -1.997 -12.020 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.873 -0.652 -13.170 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.140 0.784 -12.484 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.424 -1.164 -14.026 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.455 -0.049 -14.900 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.800 1.236 -12.845 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.005 0.148 -16.203 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.762 1.272 -16.762 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.207 2.672 -13.576 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.749 2.693 -15.283 1.00 0.00 H new ATOM 678 N VAL A 50 -4.587 -2.065 -8.473 1.00 0.00 N ATOM 679 CA VAL A 50 -4.071 -2.986 -7.482 1.00 0.00 C ATOM 680 C VAL A 50 -5.179 -3.623 -6.652 1.00 0.00 C ATOM 681 O VAL A 50 -5.178 -4.834 -6.428 1.00 0.00 O ATOM 682 CB VAL A 50 -3.070 -2.259 -6.563 1.00 0.00 C ATOM 683 CG1 VAL A 50 -2.892 -2.949 -5.221 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.736 -2.150 -7.266 1.00 0.00 C ATOM 0 H VAL A 50 -4.596 -1.092 -8.168 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.565 -3.791 -8.015 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.476 -1.269 -6.356 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.176 -2.391 -4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.850 -2.989 -4.703 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.522 -3.962 -5.379 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.025 -1.636 -6.619 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.363 -3.148 -7.495 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.857 -1.587 -8.191 1.00 0.00 H new ATOM 694 N PHE A 51 -6.117 -2.807 -6.185 1.00 0.00 N ATOM 695 CA PHE A 51 -7.208 -3.305 -5.371 1.00 0.00 C ATOM 696 C PHE A 51 -8.537 -3.210 -6.114 1.00 0.00 C ATOM 697 O PHE A 51 -9.591 -3.483 -5.546 1.00 0.00 O ATOM 698 CB PHE A 51 -7.293 -2.515 -4.063 1.00 0.00 C ATOM 699 CG PHE A 51 -5.992 -2.443 -3.316 1.00 0.00 C ATOM 700 CD1 PHE A 51 -5.592 -3.488 -2.500 1.00 0.00 C ATOM 701 CD2 PHE A 51 -5.170 -1.330 -3.428 1.00 0.00 C ATOM 702 CE1 PHE A 51 -4.397 -3.427 -1.810 1.00 0.00 C ATOM 703 CE2 PHE A 51 -3.975 -1.262 -2.736 1.00 0.00 C ATOM 704 CZ PHE A 51 -3.588 -2.312 -1.926 1.00 0.00 C ATOM 0 H PHE A 51 -6.140 -1.802 -6.358 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.010 -4.354 -5.150 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -7.633 -1.503 -4.282 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.046 -2.972 -3.421 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.221 -4.360 -2.402 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.467 -0.508 -4.063 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.095 -4.250 -1.180 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.345 -0.390 -2.829 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.655 -2.262 -1.384 1.00 0.00 H new ATOM 714 N ALA A 52 -8.485 -2.823 -7.385 1.00 0.00 N ATOM 715 CA ALA A 52 -9.688 -2.699 -8.187 1.00 0.00 C ATOM 716 C ALA A 52 -10.716 -1.816 -7.487 1.00 0.00 C ATOM 717 O ALA A 52 -11.921 -2.049 -7.572 1.00 0.00 O ATOM 718 CB ALA A 52 -10.237 -4.079 -8.459 1.00 0.00 C ATOM 0 H ALA A 52 -7.622 -2.591 -7.877 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.450 -2.219 -9.136 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.142 -3.998 -9.061 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.494 -4.667 -8.998 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.472 -4.570 -7.515 1.00 0.00 H new ATOM 724 N MET A 53 -10.213 -0.798 -6.796 1.00 0.00 N ATOM 725 CA MET A 53 -11.050 0.140 -6.073 1.00 0.00 C ATOM 726 C MET A 53 -10.505 1.550 -6.237 1.00 0.00 C ATOM 727 O MET A 53 -9.325 1.731 -6.517 1.00 0.00 O ATOM 728 CB MET A 53 -11.087 -0.218 -4.585 1.00 0.00 C ATOM 729 CG MET A 53 -12.368 -0.898 -4.141 1.00 0.00 C ATOM 730 SD MET A 53 -12.136 -1.895 -2.656 1.00 0.00 S ATOM 731 CE MET A 53 -10.840 -3.012 -3.190 1.00 0.00 C ATOM 0 H MET A 53 -9.214 -0.604 -6.724 1.00 0.00 H new ATOM 0 HA MET A 53 -12.061 0.088 -6.478 1.00 0.00 H new ATOM 0 HB2 MET A 53 -10.245 -0.872 -4.359 1.00 0.00 H new ATOM 0 HB3 MET A 53 -10.950 0.692 -4.000 1.00 0.00 H new ATOM 0 HG2 MET A 53 -13.131 -0.143 -3.953 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.738 -1.532 -4.947 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.807 -3.875 -2.525 1.00 0.00 H new ATOM 0 HE2 MET A 53 -11.044 -3.346 -4.208 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.880 -2.496 -3.163 1.00 0.00 H new ATOM 741 N SER A 54 -11.350 2.550 -6.037 1.00 0.00 N ATOM 742 CA SER A 54 -10.904 3.922 -6.146 1.00 0.00 C ATOM 743 C SER A 54 -10.002 4.250 -4.973 1.00 0.00 C ATOM 744 O SER A 54 -10.180 3.728 -3.874 1.00 0.00 O ATOM 745 CB SER A 54 -12.095 4.881 -6.192 1.00 0.00 C ATOM 746 OG SER A 54 -12.994 4.632 -5.126 1.00 0.00 O ATOM 0 H SER A 54 -12.336 2.436 -5.801 1.00 0.00 H new ATOM 0 HA SER A 54 -10.346 4.041 -7.075 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.739 5.910 -6.138 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.616 4.773 -7.143 1.00 0.00 H new ATOM 0 HG SER A 54 -13.737 5.270 -5.169 1.00 0.00 H new ATOM 752 N PRO A 55 -9.013 5.115 -5.183 1.00 0.00 N ATOM 753 CA PRO A 55 -8.089 5.498 -4.122 1.00 0.00 C ATOM 754 C PRO A 55 -8.857 5.989 -2.905 1.00 0.00 C ATOM 755 O PRO A 55 -8.483 5.753 -1.751 1.00 0.00 O ATOM 756 CB PRO A 55 -7.262 6.614 -4.767 1.00 0.00 C ATOM 757 CG PRO A 55 -7.348 6.330 -6.231 1.00 0.00 C ATOM 758 CD PRO A 55 -8.724 5.794 -6.454 1.00 0.00 C ATOM 0 HA PRO A 55 -7.467 4.679 -3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.665 7.598 -4.527 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.230 6.598 -4.418 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.179 7.234 -6.817 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.591 5.607 -6.536 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.440 6.589 -6.661 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.759 5.106 -7.298 1.00 0.00 H new ATOM 766 N GLU A 56 -9.960 6.649 -3.196 1.00 0.00 N ATOM 767 CA GLU A 56 -10.846 7.172 -2.198 1.00 0.00 C ATOM 768 C GLU A 56 -11.596 6.053 -1.504 1.00 0.00 C ATOM 769 O GLU A 56 -11.785 6.080 -0.289 1.00 0.00 O ATOM 770 CB GLU A 56 -11.846 8.111 -2.851 1.00 0.00 C ATOM 771 CG GLU A 56 -12.411 7.606 -4.168 1.00 0.00 C ATOM 772 CD GLU A 56 -11.750 8.247 -5.373 1.00 0.00 C ATOM 773 OE1 GLU A 56 -10.562 8.619 -5.269 1.00 0.00 O ATOM 774 OE2 GLU A 56 -12.418 8.377 -6.420 1.00 0.00 O ATOM 0 H GLU A 56 -10.263 6.836 -4.152 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.253 7.710 -1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.670 8.284 -2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.365 9.074 -3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.285 6.525 -4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.482 7.804 -4.199 1.00 0.00 H new ATOM 781 N GLU A 57 -12.022 5.066 -2.289 1.00 0.00 N ATOM 782 CA GLU A 57 -12.745 3.933 -1.758 1.00 0.00 C ATOM 783 C GLU A 57 -12.047 3.450 -0.508 1.00 0.00 C ATOM 784 O GLU A 57 -12.665 3.179 0.520 1.00 0.00 O ATOM 785 CB GLU A 57 -12.824 2.826 -2.805 1.00 0.00 C ATOM 786 CG GLU A 57 -14.155 2.768 -3.536 1.00 0.00 C ATOM 787 CD GLU A 57 -15.203 1.976 -2.778 1.00 0.00 C ATOM 788 OE1 GLU A 57 -15.170 0.729 -2.848 1.00 0.00 O ATOM 789 OE2 GLU A 57 -16.054 2.603 -2.113 1.00 0.00 O ATOM 0 H GLU A 57 -11.874 5.036 -3.298 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.764 4.225 -1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.026 2.970 -3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.644 1.866 -2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.520 3.782 -3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -14.006 2.320 -4.518 1.00 0.00 H new ATOM 796 N PHE A 58 -10.744 3.400 -0.620 1.00 0.00 N ATOM 797 CA PHE A 58 -9.881 3.006 0.473 1.00 0.00 C ATOM 798 C PHE A 58 -9.959 4.030 1.593 1.00 0.00 C ATOM 799 O PHE A 58 -10.088 3.675 2.765 1.00 0.00 O ATOM 800 CB PHE A 58 -8.436 2.877 -0.005 1.00 0.00 C ATOM 801 CG PHE A 58 -7.766 1.630 0.482 1.00 0.00 C ATOM 802 CD1 PHE A 58 -8.374 0.402 0.316 1.00 0.00 C ATOM 803 CD2 PHE A 58 -6.534 1.684 1.107 1.00 0.00 C ATOM 804 CE1 PHE A 58 -7.769 -0.751 0.764 1.00 0.00 C ATOM 805 CE2 PHE A 58 -5.924 0.536 1.557 1.00 0.00 C ATOM 806 CZ PHE A 58 -6.542 -0.682 1.386 1.00 0.00 C ATOM 0 H PHE A 58 -10.244 3.633 -1.478 1.00 0.00 H new ATOM 0 HA PHE A 58 -10.216 2.038 0.845 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.417 2.891 -1.095 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.869 3.744 0.334 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.336 0.345 -0.171 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.045 2.637 1.243 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.255 -1.706 0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.961 0.590 2.044 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.065 -1.584 1.740 1.00 0.00 H new ATOM 816 N GLY A 59 -9.888 5.308 1.224 1.00 0.00 N ATOM 817 CA GLY A 59 -9.962 6.361 2.216 1.00 0.00 C ATOM 818 C GLY A 59 -11.251 6.313 3.016 1.00 0.00 C ATOM 819 O GLY A 59 -11.347 6.918 4.085 1.00 0.00 O ATOM 0 H GLY A 59 -9.781 5.628 0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.113 6.277 2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.880 7.329 1.721 1.00 0.00 H new ATOM 823 N LYS A 60 -12.252 5.604 2.493 1.00 0.00 N ATOM 824 CA LYS A 60 -13.536 5.494 3.156 1.00 0.00 C ATOM 825 C LYS A 60 -13.718 4.145 3.842 1.00 0.00 C ATOM 826 O LYS A 60 -14.458 4.029 4.819 1.00 0.00 O ATOM 827 CB LYS A 60 -14.671 5.741 2.159 1.00 0.00 C ATOM 828 CG LYS A 60 -15.466 7.006 2.445 1.00 0.00 C ATOM 829 CD LYS A 60 -14.964 8.178 1.615 1.00 0.00 C ATOM 830 CE LYS A 60 -13.531 8.541 1.968 1.00 0.00 C ATOM 831 NZ LYS A 60 -12.600 8.292 0.834 1.00 0.00 N ATOM 0 H LYS A 60 -12.190 5.099 1.609 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.566 6.258 3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.254 5.803 1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -15.347 4.886 2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -16.520 6.831 2.230 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.393 7.251 3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.026 7.928 0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.609 9.042 1.777 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.483 9.592 2.253 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.212 7.960 2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.633 8.552 1.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.627 7.284 0.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.889 8.865 0.016 1.00 0.00 H new ATOM 845 N LEU A 61 -13.048 3.131 3.322 1.00 0.00 N ATOM 846 CA LEU A 61 -13.137 1.785 3.876 1.00 0.00 C ATOM 847 C LEU A 61 -12.770 1.768 5.356 1.00 0.00 C ATOM 848 O LEU A 61 -12.561 2.816 5.969 1.00 0.00 O ATOM 849 CB LEU A 61 -12.219 0.835 3.109 1.00 0.00 C ATOM 850 CG LEU A 61 -12.730 0.400 1.737 1.00 0.00 C ATOM 851 CD1 LEU A 61 -11.593 -0.172 0.909 1.00 0.00 C ATOM 852 CD2 LEU A 61 -13.853 -0.617 1.883 1.00 0.00 C ATOM 0 H LEU A 61 -12.433 3.212 2.513 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.170 1.453 3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.250 1.317 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.055 -0.055 3.716 1.00 0.00 H new ATOM 0 HG LEU A 61 -13.127 1.274 1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.971 -0.478 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.821 0.587 0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -11.169 -1.036 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -14.204 -0.915 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.484 -1.493 2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.676 -0.172 2.442 1.00 0.00 H new ATOM 864 N ALA A 62 -12.681 0.568 5.921 1.00 0.00 N ATOM 865 CA ALA A 62 -12.325 0.401 7.321 1.00 0.00 C ATOM 866 C ALA A 62 -10.863 0.008 7.445 1.00 0.00 C ATOM 867 O ALA A 62 -10.125 0.033 6.464 1.00 0.00 O ATOM 868 CB ALA A 62 -13.213 -0.653 7.969 1.00 0.00 C ATOM 0 H ALA A 62 -12.852 -0.307 5.425 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.478 1.349 7.837 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.936 -0.768 9.017 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.255 -0.342 7.901 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.084 -1.604 7.453 1.00 0.00 H new ATOM 874 N LEU A 63 -10.451 -0.369 8.647 1.00 0.00 N ATOM 875 CA LEU A 63 -9.073 -0.785 8.873 1.00 0.00 C ATOM 876 C LEU A 63 -8.932 -2.282 8.648 1.00 0.00 C ATOM 877 O LEU A 63 -7.849 -2.786 8.349 1.00 0.00 O ATOM 878 CB LEU A 63 -8.621 -0.414 10.289 1.00 0.00 C ATOM 879 CG LEU A 63 -7.446 0.563 10.356 1.00 0.00 C ATOM 880 CD1 LEU A 63 -6.234 -0.013 9.641 1.00 0.00 C ATOM 881 CD2 LEU A 63 -7.836 1.905 9.755 1.00 0.00 C ATOM 0 H LEU A 63 -11.045 -0.396 9.475 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.434 -0.262 8.162 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.467 0.021 10.822 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.346 -1.327 10.818 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.184 0.719 11.403 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.407 0.695 9.698 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.943 -0.950 10.116 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.482 -0.197 8.596 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.989 2.589 9.811 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.123 1.767 8.713 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.676 2.322 10.311 1.00 0.00 H new ATOM 893 N TRP A 64 -10.044 -2.979 8.792 1.00 0.00 N ATOM 894 CA TRP A 64 -10.087 -4.408 8.617 1.00 0.00 C ATOM 895 C TRP A 64 -10.203 -4.775 7.145 1.00 0.00 C ATOM 896 O TRP A 64 -9.360 -5.497 6.612 1.00 0.00 O ATOM 897 CB TRP A 64 -11.251 -5.000 9.416 1.00 0.00 C ATOM 898 CG TRP A 64 -12.562 -4.315 9.165 1.00 0.00 C ATOM 899 CD1 TRP A 64 -13.020 -3.161 9.738 1.00 0.00 C ATOM 900 CD2 TRP A 64 -13.591 -4.748 8.274 1.00 0.00 C ATOM 901 NE1 TRP A 64 -14.269 -2.858 9.246 1.00 0.00 N ATOM 902 CE2 TRP A 64 -14.639 -3.819 8.355 1.00 0.00 C ATOM 903 CE3 TRP A 64 -13.720 -5.832 7.417 1.00 0.00 C ATOM 904 CZ2 TRP A 64 -15.806 -3.944 7.613 1.00 0.00 C ATOM 905 CZ3 TRP A 64 -14.879 -5.961 6.675 1.00 0.00 C ATOM 906 CH2 TRP A 64 -15.910 -5.018 6.780 1.00 0.00 C ATOM 0 H TRP A 64 -10.943 -2.563 9.035 1.00 0.00 H new ATOM 0 HA TRP A 64 -9.154 -4.829 8.992 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.350 -6.057 9.169 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.018 -4.942 10.479 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -12.482 -2.575 10.468 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -14.827 -2.045 9.507 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -12.929 -6.562 7.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -16.601 -3.218 7.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -14.991 -6.800 6.005 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -16.805 -5.145 6.189 1.00 0.00 H new ATOM 917 N LYS A 65 -11.238 -4.266 6.481 1.00 0.00 N ATOM 918 CA LYS A 65 -11.425 -4.544 5.069 1.00 0.00 C ATOM 919 C LYS A 65 -10.190 -4.101 4.305 1.00 0.00 C ATOM 920 O LYS A 65 -9.706 -4.802 3.417 1.00 0.00 O ATOM 921 CB LYS A 65 -12.682 -3.853 4.527 1.00 0.00 C ATOM 922 CG LYS A 65 -12.861 -2.418 4.978 1.00 0.00 C ATOM 923 CD LYS A 65 -14.329 -2.091 5.241 1.00 0.00 C ATOM 924 CE LYS A 65 -15.241 -2.655 4.160 1.00 0.00 C ATOM 925 NZ LYS A 65 -16.300 -1.687 3.764 1.00 0.00 N ATOM 0 H LYS A 65 -11.950 -3.666 6.897 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.566 -5.617 4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.651 -3.876 3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.556 -4.427 4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.281 -2.246 5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.468 -1.745 4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.622 -2.495 6.210 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.456 -1.010 5.295 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.646 -2.920 3.286 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.705 -3.573 4.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -17.219 -2.009 4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.080 -0.751 4.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -16.342 -1.624 2.727 1.00 0.00 H new ATOM 939 N ARG A 66 -9.660 -2.946 4.688 1.00 0.00 N ATOM 940 CA ARG A 66 -8.462 -2.419 4.081 1.00 0.00 C ATOM 941 C ARG A 66 -7.313 -3.393 4.292 1.00 0.00 C ATOM 942 O ARG A 66 -6.522 -3.644 3.382 1.00 0.00 O ATOM 943 CB ARG A 66 -8.120 -1.075 4.707 1.00 0.00 C ATOM 944 CG ARG A 66 -8.698 0.115 3.954 1.00 0.00 C ATOM 945 CD ARG A 66 -7.892 1.384 4.187 1.00 0.00 C ATOM 946 NE ARG A 66 -6.464 1.113 4.319 1.00 0.00 N ATOM 947 CZ ARG A 66 -5.598 1.959 4.872 1.00 0.00 C ATOM 948 NH1 ARG A 66 -6.003 3.146 5.307 1.00 0.00 N ATOM 949 NH2 ARG A 66 -4.322 1.619 4.991 1.00 0.00 N ATOM 0 H ARG A 66 -10.051 -2.358 5.424 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.627 -2.284 3.012 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.488 -1.058 5.733 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.036 -0.972 4.755 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.722 -0.108 2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.729 0.277 4.269 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.054 2.073 3.358 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.251 1.880 5.089 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.109 0.224 3.967 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.983 3.414 5.218 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.334 3.790 5.730 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.004 0.709 4.659 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.659 2.268 5.415 1.00 0.00 H new ATOM 963 N ASN A 67 -7.232 -3.949 5.500 1.00 0.00 N ATOM 964 CA ASN A 67 -6.198 -4.896 5.830 1.00 0.00 C ATOM 965 C ASN A 67 -6.320 -6.137 4.952 1.00 0.00 C ATOM 966 O ASN A 67 -5.324 -6.649 4.438 1.00 0.00 O ATOM 967 CB ASN A 67 -6.306 -5.268 7.304 1.00 0.00 C ATOM 968 CG ASN A 67 -5.368 -4.460 8.179 1.00 0.00 C ATOM 969 OD1 ASN A 67 -4.328 -3.984 7.722 1.00 0.00 O ATOM 970 ND2 ASN A 67 -5.736 -4.291 9.444 1.00 0.00 N ATOM 0 H ASN A 67 -7.880 -3.751 6.262 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.222 -4.446 5.648 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.332 -5.115 7.639 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.086 -6.329 7.424 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.149 -3.749 10.078 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.606 -4.703 9.781 1.00 0.00 H new ATOM 977 N GLU A 68 -7.552 -6.613 4.776 1.00 0.00 N ATOM 978 CA GLU A 68 -7.803 -7.782 3.957 1.00 0.00 C ATOM 979 C GLU A 68 -7.477 -7.509 2.495 1.00 0.00 C ATOM 980 O GLU A 68 -7.278 -8.431 1.706 1.00 0.00 O ATOM 981 CB GLU A 68 -9.258 -8.232 4.097 1.00 0.00 C ATOM 982 CG GLU A 68 -9.671 -8.519 5.532 1.00 0.00 C ATOM 983 CD GLU A 68 -9.207 -9.880 6.011 1.00 0.00 C ATOM 984 OE1 GLU A 68 -9.042 -10.783 5.166 1.00 0.00 O ATOM 985 OE2 GLU A 68 -9.008 -10.043 7.234 1.00 0.00 O ATOM 0 H GLU A 68 -8.387 -6.202 5.193 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.151 -8.582 4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.909 -7.460 3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.411 -9.129 3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.261 -7.749 6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.756 -8.460 5.612 1.00 0.00 H new ATOM 992 N LEU A 69 -7.426 -6.232 2.147 1.00 0.00 N ATOM 993 CA LEU A 69 -7.127 -5.812 0.783 1.00 0.00 C ATOM 994 C LEU A 69 -5.644 -5.528 0.607 1.00 0.00 C ATOM 995 O LEU A 69 -4.999 -6.074 -0.286 1.00 0.00 O ATOM 996 CB LEU A 69 -7.934 -4.565 0.430 1.00 0.00 C ATOM 997 CG LEU A 69 -9.437 -4.795 0.326 1.00 0.00 C ATOM 998 CD1 LEU A 69 -10.157 -3.496 0.000 1.00 0.00 C ATOM 999 CD2 LEU A 69 -9.727 -5.858 -0.722 1.00 0.00 C ATOM 0 H LEU A 69 -7.589 -5.462 2.795 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.402 -6.627 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.747 -3.801 1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.573 -4.170 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.808 -5.148 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.229 -3.682 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.966 -2.767 0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.793 -3.107 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.803 -6.017 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.346 -5.529 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.240 -6.791 -0.439 1.00 0.00 H new ATOM 1011 N LYS A 70 -5.112 -4.665 1.461 1.00 0.00 N ATOM 1012 CA LYS A 70 -3.712 -4.301 1.409 1.00 0.00 C ATOM 1013 C LYS A 70 -2.834 -5.542 1.323 1.00 0.00 C ATOM 1014 O LYS A 70 -1.789 -5.534 0.672 1.00 0.00 O ATOM 1015 CB LYS A 70 -3.370 -3.441 2.629 1.00 0.00 C ATOM 1016 CG LYS A 70 -2.829 -4.208 3.827 1.00 0.00 C ATOM 1017 CD LYS A 70 -2.377 -3.263 4.934 1.00 0.00 C ATOM 1018 CE LYS A 70 -3.472 -2.281 5.325 1.00 0.00 C ATOM 1019 NZ LYS A 70 -3.333 -1.828 6.737 1.00 0.00 N ATOM 0 H LYS A 70 -5.638 -4.203 2.203 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.518 -3.716 0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.634 -2.694 2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.266 -2.901 2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.599 -4.878 4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.991 -4.831 3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.081 -3.843 5.808 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.496 -2.712 4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.439 -1.417 4.661 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.446 -2.750 5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.770 -0.890 6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.807 -2.506 7.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.325 -1.771 6.986 1.00 0.00 H new ATOM 1033 N LYS A 71 -3.277 -6.615 1.965 1.00 0.00 N ATOM 1034 CA LYS A 71 -2.540 -7.864 1.934 1.00 0.00 C ATOM 1035 C LYS A 71 -2.567 -8.453 0.538 1.00 0.00 C ATOM 1036 O LYS A 71 -1.622 -9.113 0.106 1.00 0.00 O ATOM 1037 CB LYS A 71 -3.107 -8.859 2.950 1.00 0.00 C ATOM 1038 CG LYS A 71 -2.210 -9.077 4.158 1.00 0.00 C ATOM 1039 CD LYS A 71 -2.911 -9.891 5.235 1.00 0.00 C ATOM 1040 CE LYS A 71 -4.208 -9.233 5.679 1.00 0.00 C ATOM 1041 NZ LYS A 71 -4.736 -9.835 6.934 1.00 0.00 N ATOM 0 H LYS A 71 -4.139 -6.643 2.510 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.505 -7.659 2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.079 -8.503 3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.273 -9.816 2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.299 -9.590 3.848 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.909 -8.113 4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.121 -10.892 4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.249 -10.007 6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.040 -8.167 5.831 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.953 -9.329 4.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.621 -9.358 7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.920 -10.847 6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.036 -9.721 7.695 1.00 0.00 H new ATOM 1055 N LYS A 72 -3.647 -8.183 -0.172 1.00 0.00 N ATOM 1056 CA LYS A 72 -3.799 -8.653 -1.532 1.00 0.00 C ATOM 1057 C LYS A 72 -2.726 -8.033 -2.405 1.00 0.00 C ATOM 1058 O LYS A 72 -2.211 -8.657 -3.334 1.00 0.00 O ATOM 1059 CB LYS A 72 -5.188 -8.310 -2.075 1.00 0.00 C ATOM 1060 CG LYS A 72 -6.322 -8.773 -1.177 1.00 0.00 C ATOM 1061 CD LYS A 72 -6.351 -10.288 -1.048 1.00 0.00 C ATOM 1062 CE LYS A 72 -6.505 -10.723 0.401 1.00 0.00 C ATOM 1063 NZ LYS A 72 -6.077 -12.134 0.607 1.00 0.00 N ATOM 0 H LYS A 72 -4.435 -7.637 0.176 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.692 -9.738 -1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.260 -7.231 -2.210 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.307 -8.763 -3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.211 -8.325 -0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.272 -8.423 -1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.175 -10.688 -1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.432 -10.706 -1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.914 -10.068 1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.546 -10.612 0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.198 -12.391 1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.657 -12.763 0.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.076 -12.236 0.342 1.00 0.00 H new ATOM 1077 N ALA A 73 -2.390 -6.797 -2.079 1.00 0.00 N ATOM 1078 CA ALA A 73 -1.374 -6.058 -2.793 1.00 0.00 C ATOM 1079 C ALA A 73 -0.008 -6.207 -2.122 1.00 0.00 C ATOM 1080 O ALA A 73 1.007 -5.782 -2.672 1.00 0.00 O ATOM 1081 CB ALA A 73 -1.766 -4.593 -2.886 1.00 0.00 C ATOM 0 H ALA A 73 -2.817 -6.280 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.296 -6.468 -3.800 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.995 -4.044 -3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.714 -4.503 -3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.871 -4.180 -1.883 1.00 0.00 H new ATOM 1087 N SER A 74 0.013 -6.806 -0.928 1.00 0.00 N ATOM 1088 CA SER A 74 1.260 -6.998 -0.191 1.00 0.00 C ATOM 1089 C SER A 74 1.728 -5.682 0.422 1.00 0.00 C ATOM 1090 O SER A 74 2.904 -5.522 0.748 1.00 0.00 O ATOM 1091 CB SER A 74 2.349 -7.569 -1.105 1.00 0.00 C ATOM 1092 OG SER A 74 1.797 -8.457 -2.062 1.00 0.00 O ATOM 0 H SER A 74 -0.817 -7.164 -0.455 1.00 0.00 H new ATOM 0 HA SER A 74 1.072 -7.711 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.865 -6.755 -1.614 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.094 -8.092 -0.506 1.00 0.00 H new ATOM 0 HG SER A 74 2.512 -8.807 -2.634 1.00 0.00 H new ATOM 1098 N LEU A 75 0.796 -4.747 0.586 1.00 0.00 N ATOM 1099 CA LEU A 75 1.109 -3.449 1.168 1.00 0.00 C ATOM 1100 C LEU A 75 0.880 -3.464 2.679 1.00 0.00 C ATOM 1101 O LEU A 75 0.840 -2.414 3.321 1.00 0.00 O ATOM 1102 CB LEU A 75 0.257 -2.358 0.508 1.00 0.00 C ATOM 1103 CG LEU A 75 0.327 -2.320 -1.021 1.00 0.00 C ATOM 1104 CD1 LEU A 75 -0.297 -1.042 -1.561 1.00 0.00 C ATOM 1105 CD2 LEU A 75 1.767 -2.452 -1.489 1.00 0.00 C ATOM 0 H LEU A 75 -0.182 -4.866 0.323 1.00 0.00 H new ATOM 0 HA LEU A 75 2.162 -3.232 0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.782 -2.499 0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.571 -1.389 0.895 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.243 -3.164 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.235 -1.038 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.342 -0.991 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.239 -0.180 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.800 -2.423 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.357 -1.629 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.178 -3.399 -1.139 1.00 0.00 H new ATOM 1117 N PHE A 76 0.732 -4.664 3.240 1.00 0.00 N ATOM 1118 CA PHE A 76 0.510 -4.824 4.666 1.00 0.00 C ATOM 1119 C PHE A 76 1.831 -4.818 5.427 1.00 0.00 C ATOM 1120 O PHE A 76 2.735 -5.594 5.051 1.00 0.00 O ATOM 1121 CB PHE A 76 -0.249 -6.127 4.941 1.00 0.00 C ATOM 1122 CG PHE A 76 -1.019 -6.116 6.233 1.00 0.00 C ATOM 1123 CD1 PHE A 76 -0.377 -5.872 7.438 1.00 0.00 C ATOM 1124 CD2 PHE A 76 -2.385 -6.354 6.244 1.00 0.00 C ATOM 1125 CE1 PHE A 76 -1.085 -5.864 8.626 1.00 0.00 C ATOM 1126 CE2 PHE A 76 -3.094 -6.348 7.427 1.00 0.00 C ATOM 1127 CZ PHE A 76 -2.445 -6.103 8.620 1.00 0.00 C ATOM 1128 OXT PHE A 76 1.953 -4.036 6.394 1.00 0.00 O ATOM 0 H PHE A 76 0.763 -5.541 2.720 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.089 -3.982 5.013 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.939 -6.316 4.119 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.461 -6.954 4.958 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.687 -5.686 7.449 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.900 -6.546 5.315 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.574 -5.671 9.558 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.158 -6.535 7.420 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.999 -6.098 9.547 1.00 0.00 H new TER 1138 PHE A 76