USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 605 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 13 HIS : no HE2:sc= -2.8! C(o=-3.5!,f=-5.8!) USER MOD Set 1.2: A 40 THR OG1 : rot 177:sc= -0.675! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -6.2! C(o=-6.2!,f=-10!) USER MOD Single : A 24 ASN : amide:sc= -0.144 K(o=-0.14,f=-0.65) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0501 USER MOD Single : A 37 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -13:sc= 0.272! USER MOD Single : A 45 MET CE :methyl -163:sc= 0 (180deg=-0.323) USER MOD Single : A 56 LYS NZ :NH3+ 148:sc= 0.46 (180deg=-1.72) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.332 4.261 -11.698 1.00 0.00 N ATOM 2 CA ALA A 1 -14.128 3.597 -10.635 1.00 0.00 C ATOM 3 C ALA A 1 -13.225 3.036 -9.544 1.00 0.00 C ATOM 4 O ALA A 1 -13.149 3.580 -8.444 1.00 0.00 O ATOM 5 CB ALA A 1 -14.984 2.490 -11.231 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.971 4.634 -12.428 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.785 5.043 -11.285 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.682 3.572 -12.126 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.780 4.345 -10.184 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.562 2.012 -10.441 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.663 2.913 -11.972 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.341 1.750 -11.709 1.00 0.00 H new ATOM 13 N LEU A 2 -12.544 1.942 -9.860 1.00 0.00 N ATOM 14 CA LEU A 2 -11.643 1.298 -8.912 1.00 0.00 C ATOM 15 C LEU A 2 -10.325 2.055 -8.808 1.00 0.00 C ATOM 16 O LEU A 2 -10.072 2.992 -9.566 1.00 0.00 O ATOM 17 CB LEU A 2 -11.381 -0.149 -9.334 1.00 0.00 C ATOM 18 CG LEU A 2 -12.636 -0.993 -9.561 1.00 0.00 C ATOM 19 CD1 LEU A 2 -12.688 -1.498 -10.994 1.00 0.00 C ATOM 20 CD2 LEU A 2 -12.680 -2.155 -8.582 1.00 0.00 C ATOM 0 H LEU A 2 -12.599 1.481 -10.768 1.00 0.00 H new ATOM 0 HA LEU A 2 -12.121 1.306 -7.932 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.794 -0.143 -10.253 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.771 -0.630 -8.569 1.00 0.00 H new ATOM 0 HG LEU A 2 -13.510 -0.365 -9.388 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.588 -2.096 -11.136 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -12.704 -0.650 -11.678 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -11.809 -2.110 -11.196 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.580 -2.745 -8.758 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.801 -2.783 -8.723 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.691 -1.771 -7.562 1.00 0.00 H new ATOM 32 N VAL A 3 -9.489 1.642 -7.862 1.00 0.00 N ATOM 33 CA VAL A 3 -8.196 2.277 -7.654 1.00 0.00 C ATOM 34 C VAL A 3 -7.103 1.234 -7.442 1.00 0.00 C ATOM 35 O VAL A 3 -7.377 0.093 -7.074 1.00 0.00 O ATOM 36 CB VAL A 3 -8.237 3.242 -6.441 1.00 0.00 C ATOM 37 CG1 VAL A 3 -6.831 3.626 -5.984 1.00 0.00 C ATOM 38 CG2 VAL A 3 -9.047 4.483 -6.782 1.00 0.00 C ATOM 0 H VAL A 3 -9.686 0.869 -7.227 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.967 2.851 -8.552 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.721 2.722 -5.614 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.897 4.303 -5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.285 2.729 -5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.305 4.121 -6.801 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.068 5.152 -5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.589 4.995 -7.629 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -10.065 4.193 -7.041 1.00 0.00 H new ATOM 48 N GLU A 4 -5.863 1.648 -7.667 1.00 0.00 N ATOM 49 CA GLU A 4 -4.711 0.770 -7.496 1.00 0.00 C ATOM 50 C GLU A 4 -3.608 1.499 -6.738 1.00 0.00 C ATOM 51 O GLU A 4 -2.975 2.412 -7.269 1.00 0.00 O ATOM 52 CB GLU A 4 -4.186 0.279 -8.851 1.00 0.00 C ATOM 53 CG GLU A 4 -4.734 1.038 -10.051 1.00 0.00 C ATOM 54 CD GLU A 4 -4.327 0.415 -11.371 1.00 0.00 C ATOM 55 OE1 GLU A 4 -3.123 0.457 -11.701 1.00 0.00 O ATOM 56 OE2 GLU A 4 -5.212 -0.117 -12.075 1.00 0.00 O ATOM 0 H GLU A 4 -5.628 2.593 -7.970 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.027 -0.100 -6.920 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.099 0.355 -8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.432 -0.777 -8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.822 1.071 -9.989 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.381 2.069 -10.016 1.00 0.00 H new ATOM 63 N LEU A 5 -3.392 1.099 -5.490 1.00 0.00 N ATOM 64 CA LEU A 5 -2.375 1.723 -4.651 1.00 0.00 C ATOM 65 C LEU A 5 -0.977 1.517 -5.223 1.00 0.00 C ATOM 66 O LEU A 5 -0.753 0.627 -6.043 1.00 0.00 O ATOM 67 CB LEU A 5 -2.442 1.163 -3.230 1.00 0.00 C ATOM 68 CG LEU A 5 -2.080 2.157 -2.126 1.00 0.00 C ATOM 69 CD1 LEU A 5 -3.271 3.041 -1.788 1.00 0.00 C ATOM 70 CD2 LEU A 5 -1.589 1.420 -0.889 1.00 0.00 C ATOM 0 H LEU A 5 -3.908 0.345 -5.036 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.578 2.794 -4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.451 0.793 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.771 0.306 -3.161 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.275 2.796 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.993 3.741 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.576 3.596 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.099 2.420 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.335 2.142 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.374 0.756 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.706 0.833 -1.142 1.00 0.00 H new ATOM 82 N LYS A 6 -0.040 2.348 -4.777 1.00 0.00 N ATOM 83 CA LYS A 6 1.340 2.266 -5.235 1.00 0.00 C ATOM 84 C LYS A 6 2.305 2.651 -4.117 1.00 0.00 C ATOM 85 O LYS A 6 2.058 3.593 -3.365 1.00 0.00 O ATOM 86 CB LYS A 6 1.554 3.178 -6.445 1.00 0.00 C ATOM 87 CG LYS A 6 1.054 2.584 -7.751 1.00 0.00 C ATOM 88 CD LYS A 6 -0.221 3.265 -8.218 1.00 0.00 C ATOM 89 CE LYS A 6 -0.786 2.602 -9.463 1.00 0.00 C ATOM 90 NZ LYS A 6 -0.952 3.568 -10.583 1.00 0.00 N ATOM 0 H LYS A 6 -0.214 3.088 -4.097 1.00 0.00 H new ATOM 0 HA LYS A 6 1.540 1.235 -5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.046 4.126 -6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.617 3.399 -6.540 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.823 2.685 -8.516 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.872 1.517 -7.621 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.963 3.235 -7.420 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.018 4.316 -8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.124 1.795 -9.776 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.750 2.151 -9.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.340 3.075 -11.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.604 4.325 -10.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.029 3.980 -10.826 1.00 0.00 H new ATOM 104 N VAL A 7 3.408 1.915 -4.021 1.00 0.00 N ATOM 105 CA VAL A 7 4.427 2.166 -3.003 1.00 0.00 C ATOM 106 C VAL A 7 4.689 3.666 -2.842 1.00 0.00 C ATOM 107 O VAL A 7 4.692 4.410 -3.823 1.00 0.00 O ATOM 108 CB VAL A 7 5.740 1.438 -3.362 1.00 0.00 C ATOM 109 CG1 VAL A 7 6.847 1.758 -2.369 1.00 0.00 C ATOM 110 CG2 VAL A 7 5.501 -0.062 -3.435 1.00 0.00 C ATOM 0 H VAL A 7 3.621 1.133 -4.641 1.00 0.00 H new ATOM 0 HA VAL A 7 4.053 1.779 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 7 6.067 1.793 -4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.756 1.228 -2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.038 2.831 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.542 1.445 -1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.433 -0.567 -3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.145 -0.421 -2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.753 -0.275 -4.199 1.00 0.00 H new ATOM 120 N PRO A 8 4.897 4.133 -1.597 1.00 0.00 N ATOM 121 CA PRO A 8 5.140 5.551 -1.320 1.00 0.00 C ATOM 122 C PRO A 8 6.544 6.002 -1.700 1.00 0.00 C ATOM 123 O PRO A 8 7.289 5.279 -2.361 1.00 0.00 O ATOM 124 CB PRO A 8 4.947 5.656 0.191 1.00 0.00 C ATOM 125 CG PRO A 8 5.286 4.300 0.713 1.00 0.00 C ATOM 126 CD PRO A 8 4.897 3.321 -0.365 1.00 0.00 C ATOM 0 HA PRO A 8 4.474 6.188 -1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.596 6.419 0.621 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.922 5.931 0.441 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.350 4.226 0.940 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.747 4.094 1.638 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.606 2.496 -0.430 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.917 2.885 -0.174 1.00 0.00 H new ATOM 134 N ASP A 9 6.891 7.210 -1.272 1.00 0.00 N ATOM 135 CA ASP A 9 8.198 7.786 -1.553 1.00 0.00 C ATOM 136 C ASP A 9 9.233 7.309 -0.540 1.00 0.00 C ATOM 137 O ASP A 9 9.377 7.889 0.535 1.00 0.00 O ATOM 138 CB ASP A 9 8.108 9.309 -1.524 1.00 0.00 C ATOM 139 CG ASP A 9 9.456 9.975 -1.733 1.00 0.00 C ATOM 140 OD1 ASP A 9 10.386 9.689 -0.951 1.00 0.00 O ATOM 141 OD2 ASP A 9 9.579 10.780 -2.679 1.00 0.00 O ATOM 0 H ASP A 9 6.278 7.814 -0.724 1.00 0.00 H new ATOM 0 HA ASP A 9 8.512 7.459 -2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.417 9.644 -2.298 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.694 9.627 -0.567 1.00 0.00 H new ATOM 146 N ILE A 10 9.955 6.253 -0.891 1.00 0.00 N ATOM 147 CA ILE A 10 10.979 5.705 -0.007 1.00 0.00 C ATOM 148 C ILE A 10 12.366 6.188 -0.410 1.00 0.00 C ATOM 149 O ILE A 10 13.224 5.395 -0.801 1.00 0.00 O ATOM 150 CB ILE A 10 10.968 4.159 0.016 1.00 0.00 C ATOM 151 CG1 ILE A 10 10.497 3.590 -1.326 1.00 0.00 C ATOM 152 CG2 ILE A 10 10.087 3.654 1.148 1.00 0.00 C ATOM 153 CD1 ILE A 10 11.364 4.002 -2.497 1.00 0.00 C ATOM 0 H ILE A 10 9.852 5.759 -1.778 1.00 0.00 H new ATOM 0 HA ILE A 10 10.742 6.065 0.994 1.00 0.00 H new ATOM 0 HB ILE A 10 11.988 3.815 0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.479 2.502 -1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.473 3.916 -1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.089 2.564 1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.471 4.021 2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.068 4.015 1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.971 3.562 -3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.363 5.088 -2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.384 3.652 -2.336 1.00 0.00 H new ATOM 165 N GLY A 11 12.578 7.495 -0.310 1.00 0.00 N ATOM 166 CA GLY A 11 13.863 8.070 -0.665 1.00 0.00 C ATOM 167 C GLY A 11 13.944 8.448 -2.130 1.00 0.00 C ATOM 168 O GLY A 11 13.594 9.566 -2.510 1.00 0.00 O ATOM 0 H GLY A 11 11.882 8.168 0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.043 8.955 -0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.653 7.356 -0.433 1.00 0.00 H new ATOM 172 N GLY A 12 14.409 7.515 -2.953 1.00 0.00 N ATOM 173 CA GLY A 12 14.527 7.773 -4.375 1.00 0.00 C ATOM 174 C GLY A 12 15.101 6.592 -5.131 1.00 0.00 C ATOM 175 O GLY A 12 15.842 6.766 -6.099 1.00 0.00 O ATOM 0 H GLY A 12 14.706 6.584 -2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.545 8.017 -4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 12 15.162 8.645 -4.532 1.00 0.00 H new ATOM 179 N HIS A 13 14.759 5.386 -4.688 1.00 0.00 N ATOM 180 CA HIS A 13 15.245 4.169 -5.329 1.00 0.00 C ATOM 181 C HIS A 13 14.192 3.067 -5.264 1.00 0.00 C ATOM 182 O HIS A 13 13.279 3.113 -4.440 1.00 0.00 O ATOM 183 CB HIS A 13 16.544 3.691 -4.671 1.00 0.00 C ATOM 184 CG HIS A 13 16.654 4.038 -3.217 1.00 0.00 C ATOM 185 ND1 HIS A 13 17.827 4.464 -2.632 1.00 0.00 N ATOM 186 CD2 HIS A 13 15.727 4.022 -2.228 1.00 0.00 C ATOM 187 CE1 HIS A 13 17.619 4.693 -1.348 1.00 0.00 C ATOM 188 NE2 HIS A 13 16.353 4.433 -1.077 1.00 0.00 N ATOM 0 H HIS A 13 14.147 5.225 -3.888 1.00 0.00 H new ATOM 0 HA HIS A 13 15.447 4.399 -6.375 1.00 0.00 H new ATOM 0 HB2 HIS A 13 16.619 2.609 -4.783 1.00 0.00 H new ATOM 0 HB3 HIS A 13 17.390 4.126 -5.203 1.00 0.00 H new ATOM 0 HD1 HIS A 13 18.717 4.584 -3.115 1.00 0.00 H new ATOM 0 HD2 HIS A 13 14.689 3.739 -2.327 1.00 0.00 H new ATOM 0 HE1 HIS A 13 18.359 5.035 -0.640 1.00 0.00 H new ATOM 197 N GLU A 14 14.325 2.079 -6.142 1.00 0.00 N ATOM 198 CA GLU A 14 13.385 0.965 -6.189 1.00 0.00 C ATOM 199 C GLU A 14 13.809 -0.155 -5.247 1.00 0.00 C ATOM 200 O GLU A 14 14.800 -0.037 -4.527 1.00 0.00 O ATOM 201 CB GLU A 14 13.271 0.426 -7.616 1.00 0.00 C ATOM 202 CG GLU A 14 14.616 0.172 -8.279 1.00 0.00 C ATOM 203 CD GLU A 14 14.493 -0.652 -9.545 1.00 0.00 C ATOM 204 OE1 GLU A 14 13.681 -1.600 -9.560 1.00 0.00 O ATOM 205 OE2 GLU A 14 15.211 -0.349 -10.522 1.00 0.00 O ATOM 0 H GLU A 14 15.075 2.027 -6.831 1.00 0.00 H new ATOM 0 HA GLU A 14 12.413 1.336 -5.865 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.702 -0.503 -7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.706 1.136 -8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.087 1.126 -8.515 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.272 -0.342 -7.577 1.00 0.00 H new ATOM 212 N ASN A 15 13.042 -1.241 -5.261 1.00 0.00 N ATOM 213 CA ASN A 15 13.316 -2.398 -4.415 1.00 0.00 C ATOM 214 C ASN A 15 13.628 -1.979 -2.981 1.00 0.00 C ATOM 215 O ASN A 15 14.769 -1.658 -2.648 1.00 0.00 O ATOM 216 CB ASN A 15 14.476 -3.220 -4.989 1.00 0.00 C ATOM 217 CG ASN A 15 15.791 -2.467 -4.976 1.00 0.00 C ATOM 218 OD1 ASN A 15 16.055 -1.641 -5.849 1.00 0.00 O ATOM 219 ND2 ASN A 15 16.624 -2.749 -3.980 1.00 0.00 N ATOM 0 H ASN A 15 12.219 -1.344 -5.854 1.00 0.00 H new ATOM 0 HA ASN A 15 12.418 -3.015 -4.398 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.583 -4.140 -4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.239 -3.510 -6.013 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.524 -2.273 -3.918 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.363 -3.441 -3.278 1.00 0.00 H new ATOM 226 N VAL A 16 12.604 -1.992 -2.135 1.00 0.00 N ATOM 227 CA VAL A 16 12.761 -1.622 -0.734 1.00 0.00 C ATOM 228 C VAL A 16 11.982 -2.577 0.163 1.00 0.00 C ATOM 229 O VAL A 16 11.150 -3.350 -0.314 1.00 0.00 O ATOM 230 CB VAL A 16 12.293 -0.179 -0.468 1.00 0.00 C ATOM 231 CG1 VAL A 16 13.413 0.808 -0.756 1.00 0.00 C ATOM 232 CG2 VAL A 16 11.059 0.148 -1.296 1.00 0.00 C ATOM 0 H VAL A 16 11.654 -2.256 -2.396 1.00 0.00 H new ATOM 0 HA VAL A 16 13.824 -1.687 -0.503 1.00 0.00 H new ATOM 0 HB VAL A 16 12.026 -0.094 0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 16 13.063 1.822 -0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 16 14.265 0.589 -0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 16 13.715 0.722 -1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.745 1.172 -1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 16 11.294 0.044 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.253 -0.537 -1.034 1.00 0.00 H new ATOM 242 N ASP A 17 12.260 -2.529 1.460 1.00 0.00 N ATOM 243 CA ASP A 17 11.588 -3.403 2.413 1.00 0.00 C ATOM 244 C ASP A 17 10.428 -2.695 3.105 1.00 0.00 C ATOM 245 O ASP A 17 10.569 -1.567 3.583 1.00 0.00 O ATOM 246 CB ASP A 17 12.584 -3.910 3.457 1.00 0.00 C ATOM 247 CG ASP A 17 13.606 -4.862 2.865 1.00 0.00 C ATOM 248 OD1 ASP A 17 13.260 -5.582 1.906 1.00 0.00 O ATOM 249 OD2 ASP A 17 14.752 -4.887 3.362 1.00 0.00 O ATOM 0 H ASP A 17 12.944 -1.896 1.875 1.00 0.00 H new ATOM 0 HA ASP A 17 11.182 -4.248 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.099 -3.061 3.906 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.042 -4.414 4.257 1.00 0.00 H new ATOM 254 N ILE A 18 9.285 -3.372 3.168 1.00 0.00 N ATOM 255 CA ILE A 18 8.105 -2.826 3.814 1.00 0.00 C ATOM 256 C ILE A 18 8.272 -2.877 5.327 1.00 0.00 C ATOM 257 O ILE A 18 9.138 -3.587 5.838 1.00 0.00 O ATOM 258 CB ILE A 18 6.834 -3.602 3.390 1.00 0.00 C ATOM 259 CG1 ILE A 18 6.511 -3.308 1.928 1.00 0.00 C ATOM 260 CG2 ILE A 18 5.645 -3.249 4.273 1.00 0.00 C ATOM 261 CD1 ILE A 18 5.970 -4.503 1.175 1.00 0.00 C ATOM 0 H ILE A 18 9.155 -4.305 2.776 1.00 0.00 H new ATOM 0 HA ILE A 18 7.989 -1.788 3.501 1.00 0.00 H new ATOM 0 HB ILE A 18 7.032 -4.667 3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.782 -2.499 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.413 -2.953 1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.770 -3.812 3.947 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.873 -3.501 5.309 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.439 -2.181 4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.763 -4.220 0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.707 -5.306 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.050 -4.845 1.649 1.00 0.00 H new ATOM 273 N ILE A 19 7.455 -2.116 6.041 1.00 0.00 N ATOM 274 CA ILE A 19 7.548 -2.086 7.496 1.00 0.00 C ATOM 275 C ILE A 19 6.174 -2.273 8.158 1.00 0.00 C ATOM 276 O ILE A 19 6.091 -2.428 9.377 1.00 0.00 O ATOM 277 CB ILE A 19 8.260 -0.777 8.013 1.00 0.00 C ATOM 278 CG1 ILE A 19 7.652 -0.270 9.333 1.00 0.00 C ATOM 279 CG2 ILE A 19 8.235 0.344 6.972 1.00 0.00 C ATOM 280 CD1 ILE A 19 8.191 1.067 9.786 1.00 0.00 C ATOM 0 H ILE A 19 6.729 -1.518 5.645 1.00 0.00 H new ATOM 0 HA ILE A 19 8.171 -2.931 7.790 1.00 0.00 H new ATOM 0 HB ILE A 19 9.298 -1.056 8.194 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.571 -0.194 9.217 1.00 0.00 H new ATOM 0 HG13 ILE A 19 7.838 -1.008 10.113 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.737 1.224 7.373 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.749 0.014 6.069 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.202 0.594 6.731 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.713 1.354 10.723 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.268 0.993 9.936 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.982 1.820 9.026 1.00 0.00 H new ATOM 292 N ALA A 20 5.104 -2.253 7.372 1.00 0.00 N ATOM 293 CA ALA A 20 3.770 -2.415 7.929 1.00 0.00 C ATOM 294 C ALA A 20 2.814 -3.052 6.927 1.00 0.00 C ATOM 295 O ALA A 20 2.960 -2.880 5.717 1.00 0.00 O ATOM 296 CB ALA A 20 3.241 -1.067 8.389 1.00 0.00 C ATOM 0 H ALA A 20 5.134 -2.128 6.360 1.00 0.00 H new ATOM 0 HA ALA A 20 3.838 -3.088 8.784 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.242 -1.191 8.806 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.904 -0.657 9.151 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.198 -0.384 7.540 1.00 0.00 H new ATOM 302 N VAL A 21 1.834 -3.786 7.444 1.00 0.00 N ATOM 303 CA VAL A 21 0.843 -4.451 6.606 1.00 0.00 C ATOM 304 C VAL A 21 -0.538 -4.399 7.253 1.00 0.00 C ATOM 305 O VAL A 21 -0.731 -4.897 8.361 1.00 0.00 O ATOM 306 CB VAL A 21 1.224 -5.920 6.339 1.00 0.00 C ATOM 307 CG1 VAL A 21 0.168 -6.601 5.482 1.00 0.00 C ATOM 308 CG2 VAL A 21 2.590 -6.004 5.676 1.00 0.00 C ATOM 0 H VAL A 21 1.705 -3.936 8.445 1.00 0.00 H new ATOM 0 HA VAL A 21 0.818 -3.918 5.656 1.00 0.00 H new ATOM 0 HB VAL A 21 1.274 -6.441 7.295 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.456 -7.637 5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.792 -6.574 5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.082 -6.080 4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.843 -7.049 5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.568 -5.466 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.340 -5.557 6.329 1.00 0.00 H new ATOM 318 N GLU A 22 -1.494 -3.792 6.556 1.00 0.00 N ATOM 319 CA GLU A 22 -2.854 -3.677 7.071 1.00 0.00 C ATOM 320 C GLU A 22 -3.873 -3.742 5.940 1.00 0.00 C ATOM 321 O GLU A 22 -4.651 -2.810 5.737 1.00 0.00 O ATOM 322 CB GLU A 22 -3.021 -2.369 7.846 1.00 0.00 C ATOM 323 CG GLU A 22 -2.132 -2.271 9.074 1.00 0.00 C ATOM 324 CD GLU A 22 -2.655 -3.088 10.239 1.00 0.00 C ATOM 325 OE1 GLU A 22 -3.515 -3.964 10.011 1.00 0.00 O ATOM 326 OE2 GLU A 22 -2.203 -2.852 11.380 1.00 0.00 O ATOM 0 H GLU A 22 -1.353 -3.374 5.637 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.030 -4.516 7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.802 -1.533 7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.062 -2.269 8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.128 -2.610 8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.049 -1.227 9.376 1.00 0.00 H new ATOM 333 N VAL A 23 -3.863 -4.849 5.206 1.00 0.00 N ATOM 334 CA VAL A 23 -4.787 -5.037 4.097 1.00 0.00 C ATOM 335 C VAL A 23 -5.304 -6.469 4.052 1.00 0.00 C ATOM 336 O VAL A 23 -4.538 -7.412 3.844 1.00 0.00 O ATOM 337 CB VAL A 23 -4.127 -4.697 2.750 1.00 0.00 C ATOM 338 CG1 VAL A 23 -4.136 -3.195 2.516 1.00 0.00 C ATOM 339 CG2 VAL A 23 -2.710 -5.245 2.696 1.00 0.00 C ATOM 0 H VAL A 23 -3.224 -5.629 5.360 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.622 -4.357 4.262 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.703 -5.168 1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.665 -2.973 1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.165 -2.834 2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.585 -2.699 3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.259 -4.995 1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.119 -4.806 3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.734 -6.328 2.814 1.00 0.00 H new ATOM 349 N ASN A 24 -6.607 -6.626 4.251 1.00 0.00 N ATOM 350 CA ASN A 24 -7.232 -7.944 4.236 1.00 0.00 C ATOM 351 C ASN A 24 -7.787 -8.283 2.854 1.00 0.00 C ATOM 352 O ASN A 24 -8.541 -9.243 2.702 1.00 0.00 O ATOM 353 CB ASN A 24 -8.356 -8.000 5.267 1.00 0.00 C ATOM 354 CG ASN A 24 -8.198 -9.158 6.233 1.00 0.00 C ATOM 355 OD1 ASN A 24 -7.085 -9.500 6.633 1.00 0.00 O ATOM 356 ND2 ASN A 24 -9.314 -9.770 6.612 1.00 0.00 N ATOM 0 H ASN A 24 -7.253 -5.856 4.425 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.467 -8.679 4.486 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.379 -7.065 5.826 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.313 -8.088 4.753 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.269 -10.557 7.260 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.216 -9.453 6.256 1.00 0.00 H new ATOM 363 N VAL A 25 -7.413 -7.491 1.850 1.00 0.00 N ATOM 364 CA VAL A 25 -7.876 -7.710 0.481 1.00 0.00 C ATOM 365 C VAL A 25 -9.367 -8.045 0.441 1.00 0.00 C ATOM 366 O VAL A 25 -9.758 -9.142 0.042 1.00 0.00 O ATOM 367 CB VAL A 25 -7.077 -8.837 -0.206 1.00 0.00 C ATOM 368 CG1 VAL A 25 -7.114 -10.110 0.625 1.00 0.00 C ATOM 369 CG2 VAL A 25 -7.601 -9.094 -1.610 1.00 0.00 C ATOM 0 H VAL A 25 -6.790 -6.691 1.960 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.712 -6.778 -0.061 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.039 -8.514 -0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.544 -10.890 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.677 -9.918 1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.147 -10.436 0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.022 -9.892 -2.074 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.649 -9.388 -1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.508 -8.186 -2.205 1.00 0.00 H new ATOM 379 N GLY A 26 -10.193 -7.091 0.861 1.00 0.00 N ATOM 380 CA GLY A 26 -11.628 -7.300 0.868 1.00 0.00 C ATOM 381 C GLY A 26 -12.305 -6.634 2.050 1.00 0.00 C ATOM 382 O GLY A 26 -13.149 -7.236 2.711 1.00 0.00 O ATOM 0 H GLY A 26 -9.892 -6.176 1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.053 -6.911 -0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.836 -8.370 0.889 1.00 0.00 H new ATOM 386 N ASP A 27 -11.930 -5.387 2.317 1.00 0.00 N ATOM 387 CA ASP A 27 -12.504 -4.637 3.429 1.00 0.00 C ATOM 388 C ASP A 27 -12.826 -3.205 3.014 1.00 0.00 C ATOM 389 O ASP A 27 -12.487 -2.776 1.912 1.00 0.00 O ATOM 390 CB ASP A 27 -11.539 -4.629 4.617 1.00 0.00 C ATOM 391 CG ASP A 27 -12.262 -4.664 5.949 1.00 0.00 C ATOM 392 OD1 ASP A 27 -13.314 -4.004 6.072 1.00 0.00 O ATOM 393 OD2 ASP A 27 -11.775 -5.353 6.871 1.00 0.00 O ATOM 0 H ASP A 27 -11.231 -4.875 1.779 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.432 -5.128 3.724 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.872 -5.488 4.546 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.915 -3.737 4.569 1.00 0.00 H new ATOM 398 N THR A 28 -13.482 -2.470 3.908 1.00 0.00 N ATOM 399 CA THR A 28 -13.849 -1.085 3.637 1.00 0.00 C ATOM 400 C THR A 28 -12.653 -0.160 3.836 1.00 0.00 C ATOM 401 O THR A 28 -11.945 -0.252 4.840 1.00 0.00 O ATOM 402 CB THR A 28 -15.000 -0.654 4.546 1.00 0.00 C ATOM 403 OG1 THR A 28 -16.090 -1.551 4.434 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.516 0.736 4.240 1.00 0.00 C ATOM 0 H THR A 28 -13.770 -2.811 4.825 1.00 0.00 H new ATOM 0 HA THR A 28 -14.172 -1.015 2.598 1.00 0.00 H new ATOM 0 HB THR A 28 -14.588 -0.657 5.555 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.816 -1.259 5.024 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.332 0.979 4.921 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.710 1.459 4.366 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.878 0.772 3.213 1.00 0.00 H new ATOM 412 N ILE A 29 -12.431 0.728 2.874 1.00 0.00 N ATOM 413 CA ILE A 29 -11.318 1.667 2.944 1.00 0.00 C ATOM 414 C ILE A 29 -11.795 3.102 2.742 1.00 0.00 C ATOM 415 O ILE A 29 -12.781 3.347 2.047 1.00 0.00 O ATOM 416 CB ILE A 29 -10.244 1.341 1.890 1.00 0.00 C ATOM 417 CG1 ILE A 29 -10.890 1.160 0.515 1.00 0.00 C ATOM 418 CG2 ILE A 29 -9.474 0.090 2.289 1.00 0.00 C ATOM 419 CD1 ILE A 29 -10.321 2.072 -0.548 1.00 0.00 C ATOM 0 H ILE A 29 -13.007 0.817 2.037 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.883 1.570 3.939 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.542 2.173 1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.765 0.125 0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.962 1.340 0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.718 -0.128 1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.989 0.253 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.162 -0.752 2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.827 1.887 -1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.470 3.111 -0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.255 1.877 -0.662 1.00 0.00 H new ATOM 431 N ALA A 30 -11.087 4.046 3.353 1.00 0.00 N ATOM 432 CA ALA A 30 -11.438 5.456 3.240 1.00 0.00 C ATOM 433 C ALA A 30 -10.277 6.268 2.675 1.00 0.00 C ATOM 434 O ALA A 30 -9.206 5.730 2.392 1.00 0.00 O ATOM 435 CB ALA A 30 -11.858 6.005 4.594 1.00 0.00 C ATOM 0 H ALA A 30 -10.267 3.860 3.931 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.277 5.541 2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.117 7.059 4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.723 5.451 4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.035 5.899 5.301 1.00 0.00 H new ATOM 441 N VAL A 31 -10.499 7.568 2.507 1.00 0.00 N ATOM 442 CA VAL A 31 -9.473 8.456 1.972 1.00 0.00 C ATOM 443 C VAL A 31 -8.583 9.003 3.085 1.00 0.00 C ATOM 444 O VAL A 31 -8.322 10.205 3.151 1.00 0.00 O ATOM 445 CB VAL A 31 -10.097 9.638 1.204 1.00 0.00 C ATOM 446 CG1 VAL A 31 -9.053 10.325 0.339 1.00 0.00 C ATOM 447 CG2 VAL A 31 -11.272 9.166 0.361 1.00 0.00 C ATOM 0 H VAL A 31 -11.380 8.030 2.734 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.869 7.863 1.285 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.467 10.363 1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.513 11.156 -0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.247 10.700 0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.649 9.612 -0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.700 10.014 -0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.929 8.420 -0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.030 8.725 1.008 1.00 0.00 H new ATOM 457 N ASP A 32 -8.121 8.111 3.959 1.00 0.00 N ATOM 458 CA ASP A 32 -7.259 8.492 5.074 1.00 0.00 C ATOM 459 C ASP A 32 -7.155 7.354 6.083 1.00 0.00 C ATOM 460 O ASP A 32 -7.690 7.442 7.189 1.00 0.00 O ATOM 461 CB ASP A 32 -7.793 9.750 5.767 1.00 0.00 C ATOM 462 CG ASP A 32 -9.295 9.708 5.965 1.00 0.00 C ATOM 463 OD1 ASP A 32 -9.767 8.860 6.752 1.00 0.00 O ATOM 464 OD2 ASP A 32 -10.002 10.522 5.333 1.00 0.00 O ATOM 0 H ASP A 32 -8.331 7.114 3.915 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.267 8.704 4.675 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.305 9.863 6.735 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.532 10.627 5.174 1.00 0.00 H new ATOM 469 N ASP A 33 -6.466 6.286 5.698 1.00 0.00 N ATOM 470 CA ASP A 33 -6.295 5.131 6.571 1.00 0.00 C ATOM 471 C ASP A 33 -4.991 4.412 6.254 1.00 0.00 C ATOM 472 O ASP A 33 -4.910 3.650 5.291 1.00 0.00 O ATOM 473 CB ASP A 33 -7.476 4.168 6.417 1.00 0.00 C ATOM 474 CG ASP A 33 -7.653 3.692 4.989 1.00 0.00 C ATOM 475 OD1 ASP A 33 -8.373 4.367 4.223 1.00 0.00 O ATOM 476 OD2 ASP A 33 -7.073 2.644 4.636 1.00 0.00 O ATOM 0 H ASP A 33 -6.017 6.196 4.787 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.259 5.482 7.602 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.326 3.307 7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.389 4.662 6.748 1.00 0.00 H new ATOM 481 N THR A 34 -3.965 4.661 7.066 1.00 0.00 N ATOM 482 CA THR A 34 -2.661 4.040 6.858 1.00 0.00 C ATOM 483 C THR A 34 -2.788 2.563 6.507 1.00 0.00 C ATOM 484 O THR A 34 -3.237 1.752 7.316 1.00 0.00 O ATOM 485 CB THR A 34 -1.776 4.201 8.081 1.00 0.00 C ATOM 486 OG1 THR A 34 -2.546 4.472 9.238 1.00 0.00 O ATOM 487 CG2 THR A 34 -0.751 5.306 7.931 1.00 0.00 C ATOM 0 H THR A 34 -4.012 5.286 7.871 1.00 0.00 H new ATOM 0 HA THR A 34 -2.198 4.554 6.015 1.00 0.00 H new ATOM 0 HB THR A 34 -1.251 3.251 8.183 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.952 4.569 10.011 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.150 5.370 8.838 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.104 5.089 7.081 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.261 6.255 7.765 1.00 0.00 H new ATOM 495 N LEU A 35 -2.375 2.226 5.293 1.00 0.00 N ATOM 496 CA LEU A 35 -2.422 0.852 4.823 1.00 0.00 C ATOM 497 C LEU A 35 -1.150 0.123 5.226 1.00 0.00 C ATOM 498 O LEU A 35 -1.204 -0.962 5.803 1.00 0.00 O ATOM 499 CB LEU A 35 -2.593 0.810 3.303 1.00 0.00 C ATOM 500 CG LEU A 35 -3.903 1.403 2.782 1.00 0.00 C ATOM 501 CD1 LEU A 35 -4.106 1.045 1.318 1.00 0.00 C ATOM 502 CD2 LEU A 35 -5.078 0.917 3.617 1.00 0.00 C ATOM 0 H LEU A 35 -2.002 2.890 4.614 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.278 0.356 5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.762 1.345 2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.525 -0.227 2.974 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.846 2.488 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.043 1.475 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.279 1.442 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.141 -0.039 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.002 1.349 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.137 -0.170 3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.939 1.223 4.654 1.00 0.00 H new ATOM 514 N ILE A 36 -0.006 0.735 4.931 1.00 0.00 N ATOM 515 CA ILE A 36 1.280 0.142 5.280 1.00 0.00 C ATOM 516 C ILE A 36 2.333 1.204 5.558 1.00 0.00 C ATOM 517 O ILE A 36 2.071 2.402 5.471 1.00 0.00 O ATOM 518 CB ILE A 36 1.811 -0.807 4.174 1.00 0.00 C ATOM 519 CG1 ILE A 36 1.843 -0.150 2.781 1.00 0.00 C ATOM 520 CG2 ILE A 36 0.970 -2.065 4.125 1.00 0.00 C ATOM 521 CD1 ILE A 36 2.261 1.306 2.753 1.00 0.00 C ATOM 0 H ILE A 36 0.056 1.635 4.455 1.00 0.00 H new ATOM 0 HA ILE A 36 1.100 -0.438 6.185 1.00 0.00 H new ATOM 0 HB ILE A 36 2.841 -1.050 4.436 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.525 -0.717 2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.851 -0.233 2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.349 -2.726 3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.019 -2.573 5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.065 -1.802 3.906 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.249 1.668 1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.568 1.895 3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.267 1.404 3.160 1.00 0.00 H new ATOM 533 N THR A 37 3.535 0.740 5.853 1.00 0.00 N ATOM 534 CA THR A 37 4.659 1.617 6.103 1.00 0.00 C ATOM 535 C THR A 37 5.850 1.125 5.294 1.00 0.00 C ATOM 536 O THR A 37 6.174 -0.061 5.318 1.00 0.00 O ATOM 537 CB THR A 37 5.002 1.650 7.594 1.00 0.00 C ATOM 538 OG1 THR A 37 3.822 1.687 8.379 1.00 0.00 O ATOM 539 CG2 THR A 37 5.849 2.841 7.986 1.00 0.00 C ATOM 0 H THR A 37 3.756 -0.253 5.925 1.00 0.00 H new ATOM 0 HA THR A 37 4.401 2.632 5.801 1.00 0.00 H new ATOM 0 HB THR A 37 5.573 0.740 7.780 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.062 1.706 9.329 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.056 2.804 9.055 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.788 2.817 7.433 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.314 3.761 7.752 1.00 0.00 H new ATOM 547 N LEU A 38 6.492 2.028 4.570 1.00 0.00 N ATOM 548 CA LEU A 38 7.638 1.659 3.751 1.00 0.00 C ATOM 549 C LEU A 38 8.902 2.351 4.245 1.00 0.00 C ATOM 550 O LEU A 38 8.837 3.296 5.030 1.00 0.00 O ATOM 551 CB LEU A 38 7.378 2.019 2.287 1.00 0.00 C ATOM 552 CG LEU A 38 6.546 1.009 1.494 1.00 0.00 C ATOM 553 CD1 LEU A 38 6.980 -0.414 1.799 1.00 0.00 C ATOM 554 CD2 LEU A 38 5.067 1.194 1.789 1.00 0.00 C ATOM 0 H LEU A 38 6.242 3.016 4.532 1.00 0.00 H new ATOM 0 HA LEU A 38 7.783 0.582 3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.873 2.984 2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.338 2.144 1.786 1.00 0.00 H new ATOM 0 HG LEU A 38 6.713 1.189 0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.372 -1.111 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.029 -0.540 1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.850 -0.614 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.488 0.468 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.887 1.044 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.763 2.202 1.508 1.00 0.00 H new ATOM 566 N GLU A 39 10.054 1.871 3.786 1.00 0.00 N ATOM 567 CA GLU A 39 11.328 2.449 4.194 1.00 0.00 C ATOM 568 C GLU A 39 12.494 1.754 3.499 1.00 0.00 C ATOM 569 O GLU A 39 12.341 0.670 2.934 1.00 0.00 O ATOM 570 CB GLU A 39 11.477 2.350 5.714 1.00 0.00 C ATOM 571 CG GLU A 39 12.877 2.661 6.225 1.00 0.00 C ATOM 572 CD GLU A 39 12.981 2.556 7.734 1.00 0.00 C ATOM 573 OE1 GLU A 39 12.229 1.754 8.326 1.00 0.00 O ATOM 574 OE2 GLU A 39 13.816 3.275 8.322 1.00 0.00 O ATOM 0 H GLU A 39 10.131 1.089 3.136 1.00 0.00 H new ATOM 0 HA GLU A 39 11.342 3.498 3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.771 3.035 6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.202 1.344 6.030 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.589 1.974 5.766 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.159 3.667 5.914 1.00 0.00 H new ATOM 581 N THR A 40 13.660 2.389 3.548 1.00 0.00 N ATOM 582 CA THR A 40 14.859 1.842 2.927 1.00 0.00 C ATOM 583 C THR A 40 15.960 1.649 3.961 1.00 0.00 C ATOM 584 O THR A 40 16.447 0.537 4.169 1.00 0.00 O ATOM 585 CB THR A 40 15.345 2.772 1.815 1.00 0.00 C ATOM 586 OG1 THR A 40 16.112 3.837 2.348 1.00 0.00 O ATOM 587 CG2 THR A 40 14.217 3.380 1.012 1.00 0.00 C ATOM 0 H THR A 40 13.800 3.286 4.013 1.00 0.00 H new ATOM 0 HA THR A 40 14.612 0.871 2.499 1.00 0.00 H new ATOM 0 HB THR A 40 15.946 2.145 1.157 1.00 0.00 H new ATOM 0 HG1 THR A 40 16.460 4.388 1.616 1.00 0.00 H new ATOM 0 HG21 THR A 40 14.629 4.029 0.240 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.633 2.586 0.546 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.574 3.963 1.671 1.00 0.00 H new ATOM 595 N ASP A 41 16.346 2.742 4.604 1.00 0.00 N ATOM 596 CA ASP A 41 17.390 2.707 5.621 1.00 0.00 C ATOM 597 C ASP A 41 17.511 4.056 6.324 1.00 0.00 C ATOM 598 O ASP A 41 17.729 4.118 7.533 1.00 0.00 O ATOM 599 CB ASP A 41 18.730 2.324 4.992 1.00 0.00 C ATOM 600 CG ASP A 41 19.706 1.764 6.007 1.00 0.00 C ATOM 601 OD1 ASP A 41 19.585 2.111 7.201 1.00 0.00 O ATOM 602 OD2 ASP A 41 20.593 0.979 5.609 1.00 0.00 O ATOM 0 H ASP A 41 15.951 3.668 4.439 1.00 0.00 H new ATOM 0 HA ASP A 41 17.116 1.956 6.362 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.562 1.586 4.208 1.00 0.00 H new ATOM 0 HB3 ASP A 41 19.169 3.201 4.516 1.00 0.00 H new ATOM 607 N LYS A 42 17.367 5.133 5.558 1.00 0.00 N ATOM 608 CA LYS A 42 17.462 6.480 6.110 1.00 0.00 C ATOM 609 C LYS A 42 16.098 7.164 6.123 1.00 0.00 C ATOM 610 O LYS A 42 15.775 7.907 7.050 1.00 0.00 O ATOM 611 CB LYS A 42 18.455 7.314 5.300 1.00 0.00 C ATOM 612 CG LYS A 42 19.853 7.345 5.899 1.00 0.00 C ATOM 613 CD LYS A 42 19.830 7.838 7.337 1.00 0.00 C ATOM 614 CE LYS A 42 21.197 8.335 7.777 1.00 0.00 C ATOM 615 NZ LYS A 42 21.209 8.730 9.212 1.00 0.00 N ATOM 0 H LYS A 42 17.184 5.099 4.555 1.00 0.00 H new ATOM 0 HA LYS A 42 17.816 6.400 7.138 1.00 0.00 H new ATOM 0 HB2 LYS A 42 18.511 6.915 4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 42 18.080 8.334 5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 42 20.288 6.346 5.862 1.00 0.00 H new ATOM 0 HG3 LYS A 42 20.493 7.994 5.301 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.100 8.642 7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 42 19.506 7.031 7.994 1.00 0.00 H new ATOM 0 HE2 LYS A 42 21.938 7.554 7.609 1.00 0.00 H new ATOM 0 HE3 LYS A 42 21.488 9.188 7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 22.159 9.063 9.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 20.520 9.493 9.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 20.956 7.910 9.800 1.00 0.00 H new ATOM 629 N ALA A 43 15.300 6.908 5.091 1.00 0.00 N ATOM 630 CA ALA A 43 13.972 7.502 4.987 1.00 0.00 C ATOM 631 C ALA A 43 12.885 6.435 5.068 1.00 0.00 C ATOM 632 O ALA A 43 13.033 5.341 4.526 1.00 0.00 O ATOM 633 CB ALA A 43 13.846 8.289 3.691 1.00 0.00 C ATOM 0 H ALA A 43 15.550 6.294 4.316 1.00 0.00 H new ATOM 0 HA ALA A 43 13.839 8.183 5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.850 8.727 3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.593 9.083 3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.005 7.622 2.843 1.00 0.00 H new ATOM 639 N THR A 44 11.790 6.764 5.750 1.00 0.00 N ATOM 640 CA THR A 44 10.676 5.833 5.903 1.00 0.00 C ATOM 641 C THR A 44 9.365 6.479 5.465 1.00 0.00 C ATOM 642 O THR A 44 9.037 7.588 5.885 1.00 0.00 O ATOM 643 CB THR A 44 10.563 5.370 7.358 1.00 0.00 C ATOM 644 OG1 THR A 44 9.764 6.265 8.110 1.00 0.00 O ATOM 645 CG2 THR A 44 11.900 5.250 8.059 1.00 0.00 C ATOM 0 H THR A 44 11.651 7.667 6.204 1.00 0.00 H new ATOM 0 HA THR A 44 10.870 4.969 5.267 1.00 0.00 H new ATOM 0 HB THR A 44 10.109 4.380 7.307 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.632 7.092 7.601 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.744 4.918 9.085 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.523 4.526 7.534 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.397 6.220 8.063 1.00 0.00 H new ATOM 653 N MET A 45 8.619 5.778 4.617 1.00 0.00 N ATOM 654 CA MET A 45 7.343 6.288 4.123 1.00 0.00 C ATOM 655 C MET A 45 6.184 5.395 4.557 1.00 0.00 C ATOM 656 O MET A 45 6.326 4.564 5.455 1.00 0.00 O ATOM 657 CB MET A 45 7.371 6.397 2.597 1.00 0.00 C ATOM 658 CG MET A 45 7.211 7.821 2.083 1.00 0.00 C ATOM 659 SD MET A 45 5.824 8.691 2.841 1.00 0.00 S ATOM 660 CE MET A 45 4.919 9.215 1.387 1.00 0.00 C ATOM 0 H MET A 45 8.874 4.858 4.258 1.00 0.00 H new ATOM 0 HA MET A 45 7.191 7.278 4.553 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.314 5.991 2.230 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.575 5.779 2.183 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.129 8.376 2.274 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.072 7.798 1.002 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.219 10.005 1.659 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.618 9.591 0.640 1.00 0.00 H new ATOM 0 HE3 MET A 45 4.369 8.368 0.976 1.00 0.00 H new ATOM 670 N ASP A 46 5.036 5.577 3.910 1.00 0.00 N ATOM 671 CA ASP A 46 3.843 4.798 4.217 1.00 0.00 C ATOM 672 C ASP A 46 2.688 5.217 3.315 1.00 0.00 C ATOM 673 O ASP A 46 2.795 6.191 2.570 1.00 0.00 O ATOM 674 CB ASP A 46 3.453 4.977 5.685 1.00 0.00 C ATOM 675 CG ASP A 46 3.390 6.436 6.093 1.00 0.00 C ATOM 676 OD1 ASP A 46 3.744 7.300 5.264 1.00 0.00 O ATOM 677 OD2 ASP A 46 2.988 6.713 7.244 1.00 0.00 O ATOM 0 H ASP A 46 4.908 6.262 3.165 1.00 0.00 H new ATOM 0 HA ASP A 46 4.064 3.746 4.038 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.483 4.512 5.860 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.174 4.457 6.316 1.00 0.00 H new ATOM 682 N VAL A 47 1.582 4.484 3.386 1.00 0.00 N ATOM 683 CA VAL A 47 0.415 4.794 2.571 1.00 0.00 C ATOM 684 C VAL A 47 -0.803 5.064 3.449 1.00 0.00 C ATOM 685 O VAL A 47 -1.259 4.173 4.162 1.00 0.00 O ATOM 686 CB VAL A 47 0.085 3.647 1.593 1.00 0.00 C ATOM 687 CG1 VAL A 47 -1.217 3.927 0.846 1.00 0.00 C ATOM 688 CG2 VAL A 47 1.233 3.436 0.617 1.00 0.00 C ATOM 0 H VAL A 47 1.470 3.675 3.997 1.00 0.00 H new ATOM 0 HA VAL A 47 0.657 5.688 1.996 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.049 2.732 2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.429 3.105 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.034 4.023 1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.120 4.853 0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.985 2.624 -0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.400 4.351 0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.138 3.182 1.169 1.00 0.00 H new ATOM 698 N PRO A 48 -1.349 6.296 3.402 1.00 0.00 N ATOM 699 CA PRO A 48 -2.518 6.679 4.191 1.00 0.00 C ATOM 700 C PRO A 48 -3.835 6.344 3.494 1.00 0.00 C ATOM 701 O PRO A 48 -4.883 6.889 3.837 1.00 0.00 O ATOM 702 CB PRO A 48 -2.350 8.189 4.309 1.00 0.00 C ATOM 703 CG PRO A 48 -1.717 8.589 3.019 1.00 0.00 C ATOM 704 CD PRO A 48 -0.868 7.421 2.574 1.00 0.00 C ATOM 0 HA PRO A 48 -2.568 6.151 5.143 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.309 8.686 4.453 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.722 8.455 5.160 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.475 8.824 2.272 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.108 9.484 3.147 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.995 7.217 1.511 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.192 7.613 2.738 1.00 0.00 H new ATOM 712 N ALA A 49 -3.775 5.450 2.514 1.00 0.00 N ATOM 713 CA ALA A 49 -4.962 5.045 1.772 1.00 0.00 C ATOM 714 C ALA A 49 -5.668 6.243 1.148 1.00 0.00 C ATOM 715 O ALA A 49 -6.326 7.019 1.840 1.00 0.00 O ATOM 716 CB ALA A 49 -5.921 4.289 2.680 1.00 0.00 C ATOM 0 H ALA A 49 -2.915 4.991 2.215 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.639 4.388 0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.803 3.993 2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.427 3.400 3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.221 4.932 3.508 1.00 0.00 H new ATOM 722 N GLU A 50 -5.535 6.379 -0.166 1.00 0.00 N ATOM 723 CA GLU A 50 -6.170 7.472 -0.891 1.00 0.00 C ATOM 724 C GLU A 50 -7.289 6.931 -1.768 1.00 0.00 C ATOM 725 O GLU A 50 -7.170 6.888 -2.993 1.00 0.00 O ATOM 726 CB GLU A 50 -5.142 8.217 -1.744 1.00 0.00 C ATOM 727 CG GLU A 50 -4.182 9.072 -0.932 1.00 0.00 C ATOM 728 CD GLU A 50 -4.622 10.520 -0.842 1.00 0.00 C ATOM 729 OE1 GLU A 50 -5.058 11.072 -1.873 1.00 0.00 O ATOM 730 OE2 GLU A 50 -4.532 11.099 0.260 1.00 0.00 O ATOM 0 H GLU A 50 -4.992 5.745 -0.752 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.592 8.172 -0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.569 7.493 -2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.666 8.852 -2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.096 8.660 0.073 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.190 9.025 -1.382 1.00 0.00 H new ATOM 737 N VAL A 51 -8.367 6.497 -1.128 1.00 0.00 N ATOM 738 CA VAL A 51 -9.506 5.931 -1.842 1.00 0.00 C ATOM 739 C VAL A 51 -10.761 5.959 -0.982 1.00 0.00 C ATOM 740 O VAL A 51 -10.771 6.551 0.094 1.00 0.00 O ATOM 741 CB VAL A 51 -9.228 4.475 -2.285 1.00 0.00 C ATOM 742 CG1 VAL A 51 -8.880 4.429 -3.762 1.00 0.00 C ATOM 743 CG2 VAL A 51 -8.115 3.843 -1.452 1.00 0.00 C ATOM 0 H VAL A 51 -8.477 6.526 -0.114 1.00 0.00 H new ATOM 0 HA VAL A 51 -9.663 6.547 -2.727 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.136 3.895 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.687 3.398 -4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.712 4.824 -4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.990 5.032 -3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.944 2.820 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.199 4.422 -1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.406 3.835 -0.402 1.00 0.00 H new ATOM 753 N ALA A 52 -11.821 5.325 -1.467 1.00 0.00 N ATOM 754 CA ALA A 52 -13.082 5.287 -0.736 1.00 0.00 C ATOM 755 C ALA A 52 -13.975 4.154 -1.216 1.00 0.00 C ATOM 756 O ALA A 52 -15.063 4.388 -1.739 1.00 0.00 O ATOM 757 CB ALA A 52 -13.809 6.601 -0.886 1.00 0.00 C ATOM 0 H ALA A 52 -11.834 4.832 -2.360 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.848 5.113 0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.749 6.561 -0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.191 7.406 -0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.013 6.786 -1.941 1.00 0.00 H new ATOM 763 N GLY A 53 -13.518 2.929 -1.030 1.00 0.00 N ATOM 764 CA GLY A 53 -14.301 1.786 -1.453 1.00 0.00 C ATOM 765 C GLY A 53 -13.905 0.497 -0.755 1.00 0.00 C ATOM 766 O GLY A 53 -13.914 0.420 0.474 1.00 0.00 O ATOM 0 H GLY A 53 -12.623 2.703 -0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.355 1.986 -1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.191 1.657 -2.530 1.00 0.00 H new ATOM 770 N VAL A 54 -13.569 -0.520 -1.543 1.00 0.00 N ATOM 771 CA VAL A 54 -13.183 -1.819 -1.001 1.00 0.00 C ATOM 772 C VAL A 54 -12.018 -2.418 -1.783 1.00 0.00 C ATOM 773 O VAL A 54 -11.992 -2.353 -3.011 1.00 0.00 O ATOM 774 CB VAL A 54 -14.367 -2.802 -1.043 1.00 0.00 C ATOM 775 CG1 VAL A 54 -13.961 -4.163 -0.496 1.00 0.00 C ATOM 776 CG2 VAL A 54 -15.552 -2.241 -0.270 1.00 0.00 C ATOM 0 H VAL A 54 -13.556 -0.469 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 54 -12.877 -1.659 0.033 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.666 -2.933 -2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.814 -4.840 -0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.147 -4.569 -1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -13.631 -4.056 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.380 -2.948 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.264 -2.077 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -15.861 -1.295 -0.714 1.00 0.00 H new ATOM 786 N VAL A 55 -11.061 -3.007 -1.068 1.00 0.00 N ATOM 787 CA VAL A 55 -9.901 -3.619 -1.710 1.00 0.00 C ATOM 788 C VAL A 55 -10.261 -4.946 -2.363 1.00 0.00 C ATOM 789 O VAL A 55 -11.083 -5.705 -1.850 1.00 0.00 O ATOM 790 CB VAL A 55 -8.745 -3.863 -0.718 1.00 0.00 C ATOM 791 CG1 VAL A 55 -7.548 -4.487 -1.431 1.00 0.00 C ATOM 792 CG2 VAL A 55 -8.345 -2.565 -0.033 1.00 0.00 C ATOM 0 H VAL A 55 -11.066 -3.073 -0.050 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.574 -2.909 -2.470 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.090 -4.560 0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.743 -4.651 -0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.843 -5.440 -1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.202 -3.816 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.528 -2.757 0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.021 -1.843 -0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.199 -2.163 0.512 1.00 0.00 H new ATOM 802 N LYS A 56 -9.618 -5.221 -3.489 1.00 0.00 N ATOM 803 CA LYS A 56 -9.838 -6.461 -4.216 1.00 0.00 C ATOM 804 C LYS A 56 -8.566 -7.277 -4.218 1.00 0.00 C ATOM 805 O LYS A 56 -8.584 -8.490 -4.013 1.00 0.00 O ATOM 806 CB LYS A 56 -10.253 -6.219 -5.676 1.00 0.00 C ATOM 807 CG LYS A 56 -10.501 -4.763 -6.058 1.00 0.00 C ATOM 808 CD LYS A 56 -11.961 -4.522 -6.401 1.00 0.00 C ATOM 809 CE LYS A 56 -12.577 -3.466 -5.500 1.00 0.00 C ATOM 810 NZ LYS A 56 -13.294 -4.074 -4.344 1.00 0.00 N ATOM 0 H LYS A 56 -8.936 -4.597 -3.920 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.648 -6.988 -3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.476 -6.619 -6.327 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.161 -6.788 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.207 -4.114 -5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.876 -4.497 -6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.044 -4.208 -7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.517 -5.454 -6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.796 -2.800 -5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.271 -2.855 -6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.227 -3.441 -3.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.294 -4.215 -4.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.862 -4.991 -4.111 1.00 0.00 H new ATOM 824 N GLU A 57 -7.458 -6.595 -4.473 1.00 0.00 N ATOM 825 CA GLU A 57 -6.174 -7.250 -4.524 1.00 0.00 C ATOM 826 C GLU A 57 -5.253 -6.767 -3.410 1.00 0.00 C ATOM 827 O GLU A 57 -5.586 -5.845 -2.666 1.00 0.00 O ATOM 828 CB GLU A 57 -5.515 -7.024 -5.886 1.00 0.00 C ATOM 829 CG GLU A 57 -5.829 -8.110 -6.901 1.00 0.00 C ATOM 830 CD GLU A 57 -5.368 -7.752 -8.301 1.00 0.00 C ATOM 831 OE1 GLU A 57 -5.521 -6.576 -8.694 1.00 0.00 O ATOM 832 OE2 GLU A 57 -4.852 -8.647 -9.002 1.00 0.00 O ATOM 0 H GLU A 57 -7.430 -5.590 -4.646 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.342 -8.317 -4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.841 -6.062 -6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.435 -6.965 -5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.351 -9.040 -6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.904 -8.292 -6.912 1.00 0.00 H new ATOM 839 N VAL A 58 -4.093 -7.402 -3.308 1.00 0.00 N ATOM 840 CA VAL A 58 -3.107 -7.057 -2.293 1.00 0.00 C ATOM 841 C VAL A 58 -1.734 -7.587 -2.686 1.00 0.00 C ATOM 842 O VAL A 58 -1.561 -8.784 -2.912 1.00 0.00 O ATOM 843 CB VAL A 58 -3.494 -7.631 -0.921 1.00 0.00 C ATOM 844 CG1 VAL A 58 -3.506 -9.150 -0.968 1.00 0.00 C ATOM 845 CG2 VAL A 58 -2.545 -7.127 0.154 1.00 0.00 C ATOM 0 H VAL A 58 -3.810 -8.166 -3.922 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.076 -5.970 -2.223 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.499 -7.290 -0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.782 -9.542 0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.230 -9.485 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.515 -9.513 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.834 -7.544 1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.527 -7.437 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.592 -6.039 0.200 1.00 0.00 H new ATOM 855 N LYS A 59 -0.765 -6.688 -2.776 1.00 0.00 N ATOM 856 CA LYS A 59 0.589 -7.063 -3.154 1.00 0.00 C ATOM 857 C LYS A 59 1.607 -6.407 -2.233 1.00 0.00 C ATOM 858 O LYS A 59 2.281 -5.449 -2.613 1.00 0.00 O ATOM 859 CB LYS A 59 0.847 -6.659 -4.602 1.00 0.00 C ATOM 860 CG LYS A 59 -0.355 -6.881 -5.505 1.00 0.00 C ATOM 861 CD LYS A 59 0.056 -7.401 -6.872 1.00 0.00 C ATOM 862 CE LYS A 59 -1.042 -7.188 -7.902 1.00 0.00 C ATOM 863 NZ LYS A 59 -0.585 -7.520 -9.280 1.00 0.00 N ATOM 0 H LYS A 59 -0.892 -5.693 -2.592 1.00 0.00 H new ATOM 0 HA LYS A 59 0.694 -8.144 -3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.129 -5.607 -4.635 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.693 -7.228 -4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.036 -7.591 -5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.901 -5.945 -5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.965 -6.894 -7.197 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.291 -8.463 -6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.903 -7.805 -7.647 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.373 -6.150 -7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.363 -7.361 -9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.221 -6.914 -9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.293 -8.517 -9.318 1.00 0.00 H new ATOM 877 N VAL A 60 1.705 -6.926 -1.016 1.00 0.00 N ATOM 878 CA VAL A 60 2.631 -6.391 -0.028 1.00 0.00 C ATOM 879 C VAL A 60 2.649 -7.273 1.222 1.00 0.00 C ATOM 880 O VAL A 60 1.643 -7.885 1.578 1.00 0.00 O ATOM 881 CB VAL A 60 2.272 -4.920 0.334 1.00 0.00 C ATOM 882 CG1 VAL A 60 0.766 -4.698 0.259 1.00 0.00 C ATOM 883 CG2 VAL A 60 2.807 -4.512 1.706 1.00 0.00 C ATOM 0 H VAL A 60 1.153 -7.719 -0.689 1.00 0.00 H new ATOM 0 HA VAL A 60 3.631 -6.392 -0.462 1.00 0.00 H new ATOM 0 HB VAL A 60 2.760 -4.283 -0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.537 -3.664 0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.417 -4.906 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.265 -5.365 0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.530 -3.478 1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.380 -5.161 2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.893 -4.606 1.716 1.00 0.00 H new ATOM 893 N LYS A 61 3.803 -7.327 1.874 1.00 0.00 N ATOM 894 CA LYS A 61 3.968 -8.133 3.081 1.00 0.00 C ATOM 895 C LYS A 61 4.892 -7.440 4.079 1.00 0.00 C ATOM 896 O LYS A 61 5.192 -6.255 3.942 1.00 0.00 O ATOM 897 CB LYS A 61 4.527 -9.513 2.725 1.00 0.00 C ATOM 898 CG LYS A 61 3.790 -10.196 1.585 1.00 0.00 C ATOM 899 CD LYS A 61 3.541 -11.666 1.885 1.00 0.00 C ATOM 900 CE LYS A 61 2.242 -12.149 1.262 1.00 0.00 C ATOM 901 NZ LYS A 61 2.274 -13.610 0.973 1.00 0.00 N ATOM 0 H LYS A 61 4.642 -6.822 1.588 1.00 0.00 H new ATOM 0 HA LYS A 61 2.988 -8.252 3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.578 -9.411 2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.484 -10.151 3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.839 -9.693 1.412 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.371 -10.104 0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.371 -12.262 1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.507 -11.818 2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.413 -11.930 1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.056 -11.600 0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.370 -13.900 0.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.049 -13.816 0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.426 -14.136 1.857 1.00 0.00 H new ATOM 915 N VAL A 62 5.341 -8.190 5.080 1.00 0.00 N ATOM 916 CA VAL A 62 6.233 -7.651 6.098 1.00 0.00 C ATOM 917 C VAL A 62 7.654 -8.172 5.915 1.00 0.00 C ATOM 918 O VAL A 62 8.040 -9.173 6.519 1.00 0.00 O ATOM 919 CB VAL A 62 5.750 -8.006 7.517 1.00 0.00 C ATOM 920 CG1 VAL A 62 6.681 -7.414 8.563 1.00 0.00 C ATOM 921 CG2 VAL A 62 4.323 -7.526 7.732 1.00 0.00 C ATOM 0 H VAL A 62 5.101 -9.173 5.207 1.00 0.00 H new ATOM 0 HA VAL A 62 6.226 -6.567 5.980 1.00 0.00 H new ATOM 0 HB VAL A 62 5.764 -9.091 7.623 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.323 -7.676 9.559 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.686 -7.812 8.423 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.702 -6.329 8.459 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.000 -7.786 8.740 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.280 -6.444 7.605 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.665 -8.003 7.006 1.00 0.00 H new ATOM 931 N GLY A 63 8.428 -7.488 5.079 1.00 0.00 N ATOM 932 CA GLY A 63 9.799 -7.899 4.834 1.00 0.00 C ATOM 933 C GLY A 63 10.047 -8.271 3.384 1.00 0.00 C ATOM 934 O GLY A 63 11.021 -8.954 3.071 1.00 0.00 O ATOM 0 H GLY A 63 8.131 -6.657 4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.473 -7.091 5.118 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.038 -8.752 5.470 1.00 0.00 H new ATOM 938 N ASP A 64 9.165 -7.819 2.497 1.00 0.00 N ATOM 939 CA ASP A 64 9.299 -8.109 1.073 1.00 0.00 C ATOM 940 C ASP A 64 9.910 -6.921 0.337 1.00 0.00 C ATOM 941 O ASP A 64 10.077 -5.845 0.908 1.00 0.00 O ATOM 942 CB ASP A 64 7.937 -8.455 0.470 1.00 0.00 C ATOM 943 CG ASP A 64 6.855 -7.476 0.882 1.00 0.00 C ATOM 944 OD1 ASP A 64 6.683 -7.260 2.100 1.00 0.00 O ATOM 945 OD2 ASP A 64 6.180 -6.925 -0.013 1.00 0.00 O ATOM 0 H ASP A 64 8.352 -7.252 2.738 1.00 0.00 H new ATOM 0 HA ASP A 64 9.963 -8.966 0.960 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.017 -8.467 -0.617 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.651 -9.460 0.780 1.00 0.00 H new ATOM 950 N LYS A 65 10.240 -7.124 -0.934 1.00 0.00 N ATOM 951 CA LYS A 65 10.833 -6.068 -1.746 1.00 0.00 C ATOM 952 C LYS A 65 9.759 -5.302 -2.510 1.00 0.00 C ATOM 953 O LYS A 65 8.979 -5.889 -3.260 1.00 0.00 O ATOM 954 CB LYS A 65 11.853 -6.656 -2.722 1.00 0.00 C ATOM 955 CG LYS A 65 13.274 -6.656 -2.185 1.00 0.00 C ATOM 956 CD LYS A 65 13.529 -7.857 -1.289 1.00 0.00 C ATOM 957 CE LYS A 65 14.233 -8.974 -2.042 1.00 0.00 C ATOM 958 NZ LYS A 65 15.104 -9.784 -1.147 1.00 0.00 N ATOM 0 H LYS A 65 10.107 -8.009 -1.424 1.00 0.00 H new ATOM 0 HA LYS A 65 11.342 -5.373 -1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.565 -7.679 -2.964 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.824 -6.088 -3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.979 -6.665 -3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.453 -5.738 -1.625 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.135 -7.553 -0.436 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.582 -8.224 -0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.490 -9.621 -2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.834 -8.548 -2.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.566 -10.535 -1.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.829 -9.172 -0.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.527 -10.212 -0.395 1.00 0.00 H new ATOM 972 N ILE A 66 9.718 -3.988 -2.308 1.00 0.00 N ATOM 973 CA ILE A 66 8.734 -3.145 -2.971 1.00 0.00 C ATOM 974 C ILE A 66 9.411 -2.042 -3.793 1.00 0.00 C ATOM 975 O ILE A 66 10.608 -1.799 -3.656 1.00 0.00 O ATOM 976 CB ILE A 66 7.728 -2.557 -1.929 1.00 0.00 C ATOM 977 CG1 ILE A 66 6.299 -2.851 -2.373 1.00 0.00 C ATOM 978 CG2 ILE A 66 7.918 -1.058 -1.678 1.00 0.00 C ATOM 979 CD1 ILE A 66 6.000 -4.331 -2.447 1.00 0.00 C ATOM 0 H ILE A 66 10.356 -3.486 -1.690 1.00 0.00 H new ATOM 0 HA ILE A 66 8.168 -3.761 -3.670 1.00 0.00 H new ATOM 0 HB ILE A 66 7.931 -3.048 -0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.604 -2.379 -1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.128 -2.401 -3.351 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.187 -0.716 -0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.924 -0.877 -1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.778 -0.512 -2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.969 -4.478 -2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.674 -4.803 -3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.141 -4.780 -1.464 1.00 0.00 H new ATOM 991 N SER A 67 8.632 -1.383 -4.644 1.00 0.00 N ATOM 992 CA SER A 67 9.153 -0.310 -5.482 1.00 0.00 C ATOM 993 C SER A 67 8.062 0.709 -5.804 1.00 0.00 C ATOM 994 O SER A 67 6.910 0.346 -6.041 1.00 0.00 O ATOM 995 CB SER A 67 9.730 -0.881 -6.779 1.00 0.00 C ATOM 996 OG SER A 67 8.704 -1.385 -7.615 1.00 0.00 O ATOM 0 H SER A 67 7.638 -1.573 -4.771 1.00 0.00 H new ATOM 0 HA SER A 67 9.946 0.195 -4.930 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.285 -0.105 -7.306 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.438 -1.677 -6.547 1.00 0.00 H new ATOM 0 HG SER A 67 9.098 -1.743 -8.438 1.00 0.00 H new ATOM 1002 N GLU A 68 8.435 1.988 -5.812 1.00 0.00 N ATOM 1003 CA GLU A 68 7.493 3.069 -6.106 1.00 0.00 C ATOM 1004 C GLU A 68 6.589 2.709 -7.283 1.00 0.00 C ATOM 1005 O GLU A 68 6.957 2.900 -8.443 1.00 0.00 O ATOM 1006 CB GLU A 68 8.252 4.362 -6.411 1.00 0.00 C ATOM 1007 CG GLU A 68 9.246 4.755 -5.329 1.00 0.00 C ATOM 1008 CD GLU A 68 9.717 6.189 -5.462 1.00 0.00 C ATOM 1009 OE1 GLU A 68 8.860 7.098 -5.472 1.00 0.00 O ATOM 1010 OE2 GLU A 68 10.944 6.404 -5.556 1.00 0.00 O ATOM 0 H GLU A 68 9.386 2.302 -5.618 1.00 0.00 H new ATOM 0 HA GLU A 68 6.867 3.217 -5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.783 4.247 -7.356 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.535 5.172 -6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.786 4.617 -4.351 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.107 4.088 -5.373 1.00 0.00 H new ATOM 1017 N GLY A 69 5.407 2.186 -6.975 1.00 0.00 N ATOM 1018 CA GLY A 69 4.471 1.804 -8.016 1.00 0.00 C ATOM 1019 C GLY A 69 4.485 0.314 -8.286 1.00 0.00 C ATOM 1020 O GLY A 69 4.800 -0.120 -9.394 1.00 0.00 O ATOM 0 H GLY A 69 5.080 2.020 -6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.465 2.109 -7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.714 2.339 -8.934 1.00 0.00 H new ATOM 1024 N GLY A 70 4.144 -0.474 -7.271 1.00 0.00 N ATOM 1025 CA GLY A 70 4.126 -1.915 -7.428 1.00 0.00 C ATOM 1026 C GLY A 70 2.723 -2.486 -7.382 1.00 0.00 C ATOM 1027 O GLY A 70 2.538 -3.676 -7.128 1.00 0.00 O ATOM 0 H GLY A 70 3.880 -0.140 -6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.592 -2.180 -8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.726 -2.371 -6.641 1.00 0.00 H new ATOM 1031 N LEU A 71 1.730 -1.636 -7.626 1.00 0.00 N ATOM 1032 CA LEU A 71 0.337 -2.063 -7.610 1.00 0.00 C ATOM 1033 C LEU A 71 0.024 -2.841 -6.337 1.00 0.00 C ATOM 1034 O LEU A 71 -0.537 -3.935 -6.387 1.00 0.00 O ATOM 1035 CB LEU A 71 0.029 -2.924 -8.836 1.00 0.00 C ATOM 1036 CG LEU A 71 -1.455 -3.192 -9.084 1.00 0.00 C ATOM 1037 CD1 LEU A 71 -2.259 -1.910 -8.934 1.00 0.00 C ATOM 1038 CD2 LEU A 71 -1.664 -3.797 -10.464 1.00 0.00 C ATOM 0 H LEU A 71 1.865 -0.647 -7.837 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.290 -1.172 -7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.446 -2.437 -9.717 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.542 -3.880 -8.728 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.806 -3.907 -8.340 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.314 -2.119 -9.114 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.134 -1.518 -7.925 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.907 -1.173 -9.656 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.726 -3.981 -10.623 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.298 -3.106 -11.223 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.118 -4.738 -10.535 1.00 0.00 H new ATOM 1050 N ILE A 72 0.395 -2.268 -5.198 1.00 0.00 N ATOM 1051 CA ILE A 72 0.165 -2.903 -3.908 1.00 0.00 C ATOM 1052 C ILE A 72 -1.278 -3.410 -3.787 1.00 0.00 C ATOM 1053 O ILE A 72 -1.555 -4.578 -4.060 1.00 0.00 O ATOM 1054 CB ILE A 72 0.513 -1.930 -2.749 1.00 0.00 C ATOM 1055 CG1 ILE A 72 2.024 -1.927 -2.528 1.00 0.00 C ATOM 1056 CG2 ILE A 72 -0.205 -2.295 -1.450 1.00 0.00 C ATOM 1057 CD1 ILE A 72 2.585 -0.561 -2.219 1.00 0.00 C ATOM 0 H ILE A 72 0.858 -1.361 -5.143 1.00 0.00 H new ATOM 0 HA ILE A 72 0.825 -3.768 -3.836 1.00 0.00 H new ATOM 0 HB ILE A 72 0.172 -0.935 -3.035 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.264 -2.604 -1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.514 -2.319 -3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.071 -1.585 -0.670 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.283 -2.260 -1.608 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.084 -3.301 -1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.663 -0.635 -2.074 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.376 0.114 -3.049 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.122 -0.175 -1.311 1.00 0.00 H new ATOM 1069 N VAL A 73 -2.187 -2.535 -3.366 1.00 0.00 N ATOM 1070 CA VAL A 73 -3.585 -2.917 -3.202 1.00 0.00 C ATOM 1071 C VAL A 73 -4.505 -2.137 -4.137 1.00 0.00 C ATOM 1072 O VAL A 73 -4.321 -0.942 -4.359 1.00 0.00 O ATOM 1073 CB VAL A 73 -4.057 -2.713 -1.748 1.00 0.00 C ATOM 1074 CG1 VAL A 73 -3.153 -3.463 -0.780 1.00 0.00 C ATOM 1075 CG2 VAL A 73 -4.108 -1.233 -1.402 1.00 0.00 C ATOM 0 H VAL A 73 -1.982 -1.563 -3.134 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.643 -3.975 -3.456 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.065 -3.118 -1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.503 -3.306 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.176 -4.528 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.132 -3.093 -0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.443 -1.111 -0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.114 -0.799 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.803 -0.726 -2.072 1.00 0.00 H new ATOM 1085 N VAL A 74 -5.504 -2.831 -4.671 1.00 0.00 N ATOM 1086 CA VAL A 74 -6.477 -2.229 -5.576 1.00 0.00 C ATOM 1087 C VAL A 74 -7.854 -2.212 -4.919 1.00 0.00 C ATOM 1088 O VAL A 74 -8.295 -3.219 -4.367 1.00 0.00 O ATOM 1089 CB VAL A 74 -6.549 -3.017 -6.900 1.00 0.00 C ATOM 1090 CG1 VAL A 74 -7.613 -2.445 -7.828 1.00 0.00 C ATOM 1091 CG2 VAL A 74 -5.189 -3.034 -7.583 1.00 0.00 C ATOM 0 H VAL A 74 -5.662 -3.822 -4.490 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.161 -1.208 -5.791 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.832 -4.043 -6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.638 -3.023 -8.752 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.587 -2.497 -7.341 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.376 -1.406 -8.056 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.257 -3.594 -8.516 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.876 -2.012 -7.796 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.459 -3.508 -6.928 1.00 0.00 H new ATOM 1101 N VAL A 75 -8.523 -1.063 -4.955 1.00 0.00 N ATOM 1102 CA VAL A 75 -9.831 -0.940 -4.335 1.00 0.00 C ATOM 1103 C VAL A 75 -10.910 -0.511 -5.322 1.00 0.00 C ATOM 1104 O VAL A 75 -10.620 -0.125 -6.454 1.00 0.00 O ATOM 1105 CB VAL A 75 -9.795 0.067 -3.178 1.00 0.00 C ATOM 1106 CG1 VAL A 75 -8.889 -0.429 -2.062 1.00 0.00 C ATOM 1107 CG2 VAL A 75 -9.346 1.431 -3.670 1.00 0.00 C ATOM 0 H VAL A 75 -8.182 -0.213 -5.404 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.082 -1.933 -3.962 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.804 0.165 -2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.878 0.300 -1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.262 -1.382 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.877 -0.560 -2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -9.327 2.131 -2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.348 1.352 -4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.041 1.791 -4.429 1.00 0.00 H new ATOM 1117 N GLU A 76 -12.160 -0.583 -4.870 1.00 0.00 N ATOM 1118 CA GLU A 76 -13.306 -0.205 -5.690 1.00 0.00 C ATOM 1119 C GLU A 76 -13.459 1.312 -5.732 1.00 0.00 C ATOM 1120 O GLU A 76 -13.823 1.882 -6.759 1.00 0.00 O ATOM 1121 CB GLU A 76 -14.584 -0.842 -5.135 1.00 0.00 C ATOM 1122 CG GLU A 76 -15.379 -1.615 -6.175 1.00 0.00 C ATOM 1123 CD GLU A 76 -16.866 -1.329 -6.101 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -17.317 -0.358 -6.747 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -17.581 -2.074 -5.398 1.00 0.00 O ATOM 0 H GLU A 76 -12.405 -0.902 -3.933 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.137 -0.567 -6.704 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.320 -1.514 -4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.216 -0.061 -4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.013 -1.361 -7.170 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.211 -2.683 -6.036 1.00 0.00 H new ATOM 1132 N ALA A 77 -13.165 1.955 -4.606 1.00 0.00 N ATOM 1133 CA ALA A 77 -13.253 3.405 -4.493 1.00 0.00 C ATOM 1134 C ALA A 77 -14.647 3.927 -4.839 1.00 0.00 C ATOM 1135 O ALA A 77 -15.342 3.372 -5.689 1.00 0.00 O ATOM 1136 CB ALA A 77 -12.206 4.058 -5.373 1.00 0.00 C ATOM 0 H ALA A 77 -12.861 1.488 -3.752 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.064 3.667 -3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.279 5.142 -5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.214 3.734 -5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.371 3.769 -6.411 1.00 0.00 H new ATOM 1142 N GLU A 78 -15.046 5.007 -4.169 1.00 0.00 N ATOM 1143 CA GLU A 78 -16.353 5.627 -4.390 1.00 0.00 C ATOM 1144 C GLU A 78 -17.448 4.580 -4.593 1.00 0.00 C ATOM 1145 O GLU A 78 -18.228 4.659 -5.543 1.00 0.00 O ATOM 1146 CB GLU A 78 -16.293 6.564 -5.597 1.00 0.00 C ATOM 1147 CG GLU A 78 -15.945 5.861 -6.898 1.00 0.00 C ATOM 1148 CD GLU A 78 -16.184 6.734 -8.114 1.00 0.00 C ATOM 1149 OE1 GLU A 78 -17.331 7.192 -8.301 1.00 0.00 O ATOM 1150 OE2 GLU A 78 -15.224 6.962 -8.880 1.00 0.00 O ATOM 0 H GLU A 78 -14.478 5.475 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.603 6.201 -3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -17.257 7.060 -5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.554 7.342 -5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.899 5.557 -6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.539 4.952 -6.986 1.00 0.00 H new ATOM 1157 N GLY A 79 -17.499 3.602 -3.696 1.00 0.00 N ATOM 1158 CA GLY A 79 -18.499 2.555 -3.794 1.00 0.00 C ATOM 1159 C GLY A 79 -19.308 2.405 -2.521 1.00 0.00 C ATOM 1160 O GLY A 79 -18.839 2.747 -1.435 1.00 0.00 O ATOM 0 H GLY A 79 -16.865 3.515 -2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -19.171 2.775 -4.624 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -18.009 1.609 -4.023 1.00 0.00 H new ATOM 1164 N THR A 80 -20.527 1.892 -2.653 1.00 0.00 N ATOM 1165 CA THR A 80 -21.403 1.697 -1.504 1.00 0.00 C ATOM 1166 C THR A 80 -21.588 0.211 -1.206 1.00 0.00 C ATOM 1167 O THR A 80 -22.197 -0.517 -1.989 1.00 0.00 O ATOM 1168 CB THR A 80 -22.762 2.351 -1.756 1.00 0.00 C ATOM 1169 OG1 THR A 80 -23.742 1.823 -0.880 1.00 0.00 O ATOM 1170 CG2 THR A 80 -23.263 2.164 -3.172 1.00 0.00 C ATOM 0 H THR A 80 -20.930 1.604 -3.544 1.00 0.00 H new ATOM 0 HA THR A 80 -20.936 2.167 -0.639 1.00 0.00 H new ATOM 0 HB THR A 80 -22.608 3.416 -1.581 1.00 0.00 H new ATOM 0 HG1 THR A 80 -24.604 2.255 -1.055 1.00 0.00 H new ATOM 0 HG21 THR A 80 -24.231 2.652 -3.283 1.00 0.00 H new ATOM 0 HG22 THR A 80 -22.552 2.605 -3.871 1.00 0.00 H new ATOM 0 HG23 THR A 80 -23.367 1.100 -3.384 1.00 0.00 H new ATOM 1178 N ALA A 81 -21.058 -0.230 -0.069 1.00 0.00 N ATOM 1179 CA ALA A 81 -21.167 -1.628 0.332 1.00 0.00 C ATOM 1180 C ALA A 81 -21.815 -1.756 1.706 1.00 0.00 C ATOM 1181 O ALA A 81 -22.429 -2.811 1.972 1.00 0.00 O ATOM 1182 CB ALA A 81 -19.794 -2.284 0.331 1.00 0.00 C ATOM 1183 OXT ALA A 81 -21.704 -0.801 2.503 1.00 0.00 O ATOM 0 H ALA A 81 -20.550 0.360 0.590 1.00 0.00 H new ATOM 0 HA ALA A 81 -21.804 -2.140 -0.390 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -19.889 -3.327 0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -19.367 -2.233 -0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -19.141 -1.762 1.031 1.00 0.00 H new TER 1189 ALA A 81