USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=12 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 :FLIP no HD1:sc= -1.84 F(o=-4.3,f=-2.7) USER MOD Set 1.2: A 15 ASN :FLIP amide:sc= -0.831 X(o=-2.7,f=-2.7) 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 24 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00749 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0663 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0346 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.521! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -149:sc= 0.672 (180deg=0.219) USER MOD Single : A 59 LYS NZ :NH3+ 152:sc= 0.0874 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0995) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -121:sc= 0.0753 USER MOD Single : A 80 THR OG1 : rot 57:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.299 4.787 -11.277 1.00 0.00 N ATOM 2 CA ALA A 1 -14.043 3.725 -10.551 1.00 0.00 C ATOM 3 C ALA A 1 -13.193 3.128 -9.435 1.00 0.00 C ATOM 4 O ALA A 1 -13.289 3.544 -8.280 1.00 0.00 O ATOM 5 CB ALA A 1 -14.488 2.638 -11.518 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.899 5.177 -12.031 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.040 5.545 -10.614 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.437 4.383 -11.695 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.926 4.176 -10.099 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.032 1.866 -10.973 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.138 3.071 -12.278 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.614 2.196 -11.996 1.00 0.00 H new ATOM 13 N LEU A 2 -12.363 2.152 -9.786 1.00 0.00 N ATOM 14 CA LEU A 2 -11.495 1.499 -8.813 1.00 0.00 C ATOM 15 C LEU A 2 -10.129 2.175 -8.767 1.00 0.00 C ATOM 16 O LEU A 2 -9.855 3.100 -9.531 1.00 0.00 O ATOM 17 CB LEU A 2 -11.331 0.017 -9.154 1.00 0.00 C ATOM 18 CG LEU A 2 -12.636 -0.772 -9.262 1.00 0.00 C ATOM 19 CD1 LEU A 2 -12.916 -1.144 -10.708 1.00 0.00 C ATOM 20 CD2 LEU A 2 -12.578 -2.017 -8.390 1.00 0.00 C ATOM 0 H LEU A 2 -12.273 1.795 -10.737 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.961 1.588 -7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.796 -0.065 -10.100 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.705 -0.448 -8.392 1.00 0.00 H new ATOM 0 HG LEU A 2 -13.451 -0.141 -8.907 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.849 -1.705 -10.765 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.001 -0.237 -11.307 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.100 -1.757 -11.091 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.515 -2.567 -8.478 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.753 -2.651 -8.715 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.425 -1.726 -7.351 1.00 0.00 H new ATOM 32 N VAL A 3 -9.277 1.707 -7.863 1.00 0.00 N ATOM 33 CA VAL A 3 -7.940 2.265 -7.711 1.00 0.00 C ATOM 34 C VAL A 3 -6.920 1.160 -7.438 1.00 0.00 C ATOM 35 O VAL A 3 -7.278 0.056 -7.030 1.00 0.00 O ATOM 36 CB VAL A 3 -7.912 3.327 -6.578 1.00 0.00 C ATOM 37 CG1 VAL A 3 -6.527 3.473 -5.948 1.00 0.00 C ATOM 38 CG2 VAL A 3 -8.397 4.667 -7.111 1.00 0.00 C ATOM 0 H VAL A 3 -9.489 0.941 -7.223 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.670 2.756 -8.646 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.583 2.982 -5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.562 4.227 -5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.219 2.519 -5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.810 3.777 -6.711 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.375 5.407 -6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.747 4.992 -7.924 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.417 4.564 -7.481 1.00 0.00 H new ATOM 48 N GLU A 4 -5.649 1.475 -7.658 1.00 0.00 N ATOM 49 CA GLU A 4 -4.572 0.522 -7.435 1.00 0.00 C ATOM 50 C GLU A 4 -3.403 1.183 -6.712 1.00 0.00 C ATOM 51 O GLU A 4 -2.827 2.153 -7.204 1.00 0.00 O ATOM 52 CB GLU A 4 -4.096 -0.065 -8.766 1.00 0.00 C ATOM 53 CG GLU A 4 -5.207 -0.240 -9.789 1.00 0.00 C ATOM 54 CD GLU A 4 -5.528 1.046 -10.526 1.00 0.00 C ATOM 55 OE1 GLU A 4 -4.937 2.091 -10.181 1.00 0.00 O ATOM 56 OE2 GLU A 4 -6.370 1.008 -11.447 1.00 0.00 O ATOM 0 H GLU A 4 -5.340 2.388 -7.992 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.957 -0.283 -6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.327 0.584 -9.185 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.630 -1.032 -8.580 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.916 -1.004 -10.509 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.105 -0.601 -9.287 1.00 0.00 H new ATOM 63 N LEU A 5 -3.052 0.649 -5.546 1.00 0.00 N ATOM 64 CA LEU A 5 -1.943 1.186 -4.766 1.00 0.00 C ATOM 65 C LEU A 5 -0.620 0.815 -5.422 1.00 0.00 C ATOM 66 O LEU A 5 -0.539 -0.177 -6.146 1.00 0.00 O ATOM 67 CB LEU A 5 -1.991 0.660 -3.330 1.00 0.00 C ATOM 68 CG LEU A 5 -2.031 1.740 -2.245 1.00 0.00 C ATOM 69 CD1 LEU A 5 -3.225 2.660 -2.450 1.00 0.00 C ATOM 70 CD2 LEU A 5 -2.079 1.104 -0.864 1.00 0.00 C ATOM 0 H LEU A 5 -3.518 -0.153 -5.122 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.031 2.272 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.870 0.025 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.118 0.029 -3.161 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.122 2.337 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.236 3.421 -1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.150 3.142 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.145 2.078 -2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.107 1.885 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.971 0.484 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.193 0.486 -0.717 1.00 0.00 H new ATOM 82 N LYS A 6 0.414 1.615 -5.184 1.00 0.00 N ATOM 83 CA LYS A 6 1.717 1.353 -5.783 1.00 0.00 C ATOM 84 C LYS A 6 2.864 1.837 -4.898 1.00 0.00 C ATOM 85 O LYS A 6 3.668 2.668 -5.321 1.00 0.00 O ATOM 86 CB LYS A 6 1.800 2.031 -7.151 1.00 0.00 C ATOM 87 CG LYS A 6 0.866 1.434 -8.189 1.00 0.00 C ATOM 88 CD LYS A 6 -0.408 2.251 -8.329 1.00 0.00 C ATOM 89 CE LYS A 6 -0.278 3.301 -9.421 1.00 0.00 C ATOM 90 NZ LYS A 6 -0.865 2.838 -10.710 1.00 0.00 N ATOM 0 H LYS A 6 0.377 2.441 -4.587 1.00 0.00 H new ATOM 0 HA LYS A 6 1.819 0.273 -5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.570 3.090 -7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.825 1.965 -7.517 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.375 1.384 -9.152 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.614 0.411 -7.908 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.243 1.589 -8.557 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.636 2.737 -7.380 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.775 4.218 -9.104 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.774 3.544 -9.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.756 3.582 -11.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.374 1.977 -11.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.875 2.631 -10.577 1.00 0.00 H new ATOM 104 N VAL A 7 2.950 1.306 -3.679 1.00 0.00 N ATOM 105 CA VAL A 7 4.019 1.689 -2.759 1.00 0.00 C ATOM 106 C VAL A 7 3.946 3.190 -2.453 1.00 0.00 C ATOM 107 O VAL A 7 3.557 3.981 -3.310 1.00 0.00 O ATOM 108 CB VAL A 7 5.394 1.320 -3.367 1.00 0.00 C ATOM 109 CG1 VAL A 7 6.545 1.879 -2.550 1.00 0.00 C ATOM 110 CG2 VAL A 7 5.516 -0.190 -3.497 1.00 0.00 C ATOM 0 H VAL A 7 2.298 0.615 -3.308 1.00 0.00 H new ATOM 0 HA VAL A 7 3.895 1.145 -1.823 1.00 0.00 H new ATOM 0 HB VAL A 7 5.452 1.773 -4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.491 1.596 -3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.470 2.966 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.502 1.477 -1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.486 -0.441 -3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.425 -0.649 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.725 -0.564 -4.146 1.00 0.00 H new ATOM 120 N PRO A 8 4.294 3.613 -1.218 1.00 0.00 N ATOM 121 CA PRO A 8 4.226 5.028 -0.843 1.00 0.00 C ATOM 122 C PRO A 8 5.256 5.886 -1.580 1.00 0.00 C ATOM 123 O PRO A 8 4.967 6.418 -2.652 1.00 0.00 O ATOM 124 CB PRO A 8 4.473 5.024 0.668 1.00 0.00 C ATOM 125 CG PRO A 8 5.184 3.745 0.956 1.00 0.00 C ATOM 126 CD PRO A 8 4.751 2.761 -0.098 1.00 0.00 C ATOM 0 HA PRO A 8 3.268 5.471 -1.114 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.073 5.882 0.969 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.534 5.083 1.219 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.264 3.889 0.930 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.934 3.380 1.952 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.573 2.112 -0.400 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.951 2.115 0.264 1.00 0.00 H new ATOM 134 N ASP A 9 6.453 6.030 -1.011 1.00 0.00 N ATOM 135 CA ASP A 9 7.504 6.834 -1.632 1.00 0.00 C ATOM 136 C ASP A 9 8.633 7.105 -0.642 1.00 0.00 C ATOM 137 O ASP A 9 8.972 8.257 -0.371 1.00 0.00 O ATOM 138 CB ASP A 9 6.937 8.161 -2.153 1.00 0.00 C ATOM 139 CG ASP A 9 6.740 8.153 -3.657 1.00 0.00 C ATOM 140 OD1 ASP A 9 7.729 7.922 -4.384 1.00 0.00 O ATOM 141 OD2 ASP A 9 5.597 8.381 -4.107 1.00 0.00 O ATOM 0 H ASP A 9 6.718 5.602 -0.124 1.00 0.00 H new ATOM 0 HA ASP A 9 7.904 6.269 -2.474 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.983 8.362 -1.665 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.612 8.973 -1.882 1.00 0.00 H new ATOM 146 N ILE A 10 9.208 6.031 -0.104 1.00 0.00 N ATOM 147 CA ILE A 10 10.304 6.131 0.864 1.00 0.00 C ATOM 148 C ILE A 10 11.266 7.269 0.526 1.00 0.00 C ATOM 149 O ILE A 10 11.853 7.883 1.417 1.00 0.00 O ATOM 150 CB ILE A 10 11.099 4.813 0.958 1.00 0.00 C ATOM 151 CG1 ILE A 10 11.762 4.475 -0.388 1.00 0.00 C ATOM 152 CG2 ILE A 10 10.197 3.676 1.420 1.00 0.00 C ATOM 153 CD1 ILE A 10 10.786 4.254 -1.523 1.00 0.00 C ATOM 0 H ILE A 10 8.932 5.074 -0.323 1.00 0.00 H new ATOM 0 HA ILE A 10 9.838 6.340 1.827 1.00 0.00 H new ATOM 0 HB ILE A 10 11.889 4.943 1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.440 5.284 -0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.369 3.578 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.776 2.754 1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.788 3.912 2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.381 3.547 0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.335 4.021 -2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.123 3.425 -1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.195 5.157 -1.676 1.00 0.00 H new ATOM 165 N GLY A 11 11.421 7.550 -0.764 1.00 0.00 N ATOM 166 CA GLY A 11 12.307 8.618 -1.188 1.00 0.00 C ATOM 167 C GLY A 11 13.758 8.183 -1.242 1.00 0.00 C ATOM 168 O GLY A 11 14.652 8.934 -0.852 1.00 0.00 O ATOM 0 H GLY A 11 10.949 7.058 -1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.000 8.971 -2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.209 9.460 -0.503 1.00 0.00 H new ATOM 172 N GLY A 12 13.992 6.971 -1.730 1.00 0.00 N ATOM 173 CA GLY A 12 15.345 6.460 -1.829 1.00 0.00 C ATOM 174 C GLY A 12 15.613 5.797 -3.166 1.00 0.00 C ATOM 175 O GLY A 12 16.674 5.986 -3.760 1.00 0.00 O ATOM 0 H GLY A 12 13.268 6.333 -2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.051 7.277 -1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 12 15.519 5.741 -1.028 1.00 0.00 H new ATOM 179 N HIS A 13 14.645 5.019 -3.638 1.00 0.00 N ATOM 180 CA HIS A 13 14.774 4.324 -4.915 1.00 0.00 C ATOM 181 C HIS A 13 13.631 3.335 -5.113 1.00 0.00 C ATOM 182 O HIS A 13 12.929 2.982 -4.165 1.00 0.00 O ATOM 183 CB HIS A 13 16.113 3.586 -4.996 1.00 0.00 C ATOM 184 CG HIS A 13 16.582 3.041 -3.682 1.00 0.00 C ATOM 185 ND1 HIS A 13 15.926 2.337 -2.729 1.00 0.00 N flip ATOM 186 CD2 HIS A 13 17.873 3.197 -3.220 1.00 0.00 C flip ATOM 187 CE1 HIS A 13 16.823 2.084 -1.721 1.00 0.00 C flip ATOM 188 NE2 HIS A 13 17.990 2.612 -2.040 1.00 0.00 N flip ATOM 0 H HIS A 13 13.762 4.853 -3.156 1.00 0.00 H new ATOM 0 HA HIS A 13 14.732 5.072 -5.706 1.00 0.00 H new ATOM 0 HB2 HIS A 13 16.023 2.766 -5.708 1.00 0.00 H new ATOM 0 HB3 HIS A 13 16.869 4.266 -5.388 1.00 0.00 H new ATOM 0 HD2 HIS A 13 18.664 3.716 -3.741 1.00 0.00 H new ATOM 0 HE1 HIS A 13 16.608 1.540 -0.813 1.00 0.00 H new ATOM 0 HE2 HIS A 13 18.837 2.575 -1.473 1.00 0.00 H new ATOM 197 N GLU A 14 13.453 2.887 -6.351 1.00 0.00 N ATOM 198 CA GLU A 14 12.398 1.935 -6.673 1.00 0.00 C ATOM 199 C GLU A 14 12.845 0.516 -6.341 1.00 0.00 C ATOM 200 O GLU A 14 12.986 -0.330 -7.224 1.00 0.00 O ATOM 201 CB GLU A 14 12.017 2.040 -8.153 1.00 0.00 C ATOM 202 CG GLU A 14 11.912 3.470 -8.657 1.00 0.00 C ATOM 203 CD GLU A 14 12.479 3.638 -10.053 1.00 0.00 C ATOM 204 OE1 GLU A 14 12.569 2.628 -10.782 1.00 0.00 O ATOM 205 OE2 GLU A 14 12.830 4.780 -10.417 1.00 0.00 O ATOM 0 H GLU A 14 14.026 3.168 -7.147 1.00 0.00 H new ATOM 0 HA GLU A 14 11.521 2.173 -6.071 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.759 1.508 -8.749 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.062 1.538 -8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.866 3.777 -8.654 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.440 4.133 -7.972 1.00 0.00 H new ATOM 212 N ASN A 15 13.065 0.274 -5.058 1.00 0.00 N ATOM 213 CA ASN A 15 13.499 -1.029 -4.574 1.00 0.00 C ATOM 214 C ASN A 15 13.735 -0.964 -3.072 1.00 0.00 C ATOM 215 O ASN A 15 14.855 -0.722 -2.622 1.00 0.00 O ATOM 216 CB ASN A 15 14.777 -1.466 -5.291 1.00 0.00 C ATOM 217 CG ASN A 15 15.758 -0.324 -5.473 1.00 0.00 C ATOM 218 OD1 ASN A 15 15.761 0.269 -6.662 1.00 0.00 O flip ATOM 219 ND2 ASN A 15 16.503 0.022 -4.557 1.00 0.00 N flip ATOM 0 H ASN A 15 12.948 0.973 -4.324 1.00 0.00 H new ATOM 0 HA ASN A 15 12.720 -1.762 -4.783 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.254 -2.264 -4.722 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.520 -1.879 -6.266 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.467 -0.462 -3.660 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.157 0.793 -4.695 1.00 0.00 H new ATOM 226 N VAL A 16 12.673 -1.162 -2.298 1.00 0.00 N ATOM 227 CA VAL A 16 12.775 -1.104 -0.848 1.00 0.00 C ATOM 228 C VAL A 16 11.800 -2.065 -0.186 1.00 0.00 C ATOM 229 O VAL A 16 10.695 -2.286 -0.680 1.00 0.00 O ATOM 230 CB VAL A 16 12.510 0.321 -0.327 1.00 0.00 C ATOM 231 CG1 VAL A 16 13.782 1.151 -0.375 1.00 0.00 C ATOM 232 CG2 VAL A 16 11.399 0.990 -1.125 1.00 0.00 C ATOM 0 H VAL A 16 11.737 -1.363 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 16 13.793 -1.396 -0.591 1.00 0.00 H new ATOM 0 HB VAL A 16 12.185 0.251 0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 16 13.576 2.155 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 16 14.545 0.683 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 16 14.139 1.211 -1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 16 11.229 1.995 -0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 16 11.689 1.048 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.483 0.406 -1.033 1.00 0.00 H new ATOM 242 N ASP A 17 12.219 -2.635 0.934 1.00 0.00 N ATOM 243 CA ASP A 17 11.390 -3.578 1.668 1.00 0.00 C ATOM 244 C ASP A 17 10.285 -2.863 2.438 1.00 0.00 C ATOM 245 O ASP A 17 10.477 -1.754 2.945 1.00 0.00 O ATOM 246 CB ASP A 17 12.250 -4.393 2.635 1.00 0.00 C ATOM 247 CG ASP A 17 13.506 -4.933 1.980 1.00 0.00 C ATOM 248 OD1 ASP A 17 14.518 -4.202 1.944 1.00 0.00 O ATOM 249 OD2 ASP A 17 13.477 -6.087 1.502 1.00 0.00 O ATOM 0 H ASP A 17 13.131 -2.460 1.355 1.00 0.00 H new ATOM 0 HA ASP A 17 10.924 -4.247 0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.527 -3.769 3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.663 -5.223 3.027 1.00 0.00 H new ATOM 254 N ILE A 18 9.131 -3.516 2.535 1.00 0.00 N ATOM 255 CA ILE A 18 8.000 -2.965 3.256 1.00 0.00 C ATOM 256 C ILE A 18 8.280 -3.007 4.754 1.00 0.00 C ATOM 257 O ILE A 18 9.196 -3.701 5.195 1.00 0.00 O ATOM 258 CB ILE A 18 6.709 -3.747 2.921 1.00 0.00 C ATOM 259 CG1 ILE A 18 6.285 -3.439 1.488 1.00 0.00 C ATOM 260 CG2 ILE A 18 5.585 -3.413 3.891 1.00 0.00 C ATOM 261 CD1 ILE A 18 5.806 -4.650 0.722 1.00 0.00 C ATOM 0 H ILE A 18 8.959 -4.432 2.119 1.00 0.00 H new ATOM 0 HA ILE A 18 7.854 -1.929 2.951 1.00 0.00 H new ATOM 0 HB ILE A 18 6.918 -4.812 3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.490 -2.694 1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.127 -2.994 0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.694 -3.981 3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.891 -3.672 4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.365 -2.347 3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.522 -4.353 -0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.606 -5.388 0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.944 -5.083 1.229 1.00 0.00 H new ATOM 273 N ILE A 19 7.512 -2.258 5.534 1.00 0.00 N ATOM 274 CA ILE A 19 7.739 -2.234 6.979 1.00 0.00 C ATOM 275 C ILE A 19 6.443 -2.415 7.784 1.00 0.00 C ATOM 276 O ILE A 19 6.479 -2.499 9.012 1.00 0.00 O ATOM 277 CB ILE A 19 8.513 -0.943 7.417 1.00 0.00 C ATOM 278 CG1 ILE A 19 7.590 0.176 7.924 1.00 0.00 C ATOM 279 CG2 ILE A 19 9.364 -0.417 6.266 1.00 0.00 C ATOM 280 CD1 ILE A 19 7.733 0.445 9.404 1.00 0.00 C ATOM 0 H ILE A 19 6.745 -1.672 5.205 1.00 0.00 H new ATOM 0 HA ILE A 19 8.369 -3.093 7.209 1.00 0.00 H new ATOM 0 HB ILE A 19 9.149 -1.239 8.252 1.00 0.00 H new ATOM 0 HG12 ILE A 19 7.804 1.092 7.373 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.555 -0.091 7.709 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.895 0.479 6.586 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.085 -1.179 5.969 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.721 -0.175 5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.053 1.246 9.696 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.490 -0.459 9.963 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.759 0.742 9.622 1.00 0.00 H new ATOM 292 N ALA A 20 5.308 -2.478 7.094 1.00 0.00 N ATOM 293 CA ALA A 20 4.022 -2.653 7.757 1.00 0.00 C ATOM 294 C ALA A 20 3.002 -3.277 6.811 1.00 0.00 C ATOM 295 O ALA A 20 3.084 -3.102 5.595 1.00 0.00 O ATOM 296 CB ALA A 20 3.514 -1.321 8.282 1.00 0.00 C ATOM 0 H ALA A 20 5.254 -2.410 6.078 1.00 0.00 H new ATOM 0 HA ALA A 20 4.162 -3.331 8.599 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.553 -1.467 8.775 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.230 -0.915 8.996 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.394 -0.625 7.452 1.00 0.00 H new ATOM 302 N VAL A 21 2.044 -4.005 7.373 1.00 0.00 N ATOM 303 CA VAL A 21 1.015 -4.652 6.571 1.00 0.00 C ATOM 304 C VAL A 21 -0.363 -4.515 7.214 1.00 0.00 C ATOM 305 O VAL A 21 -0.523 -4.734 8.414 1.00 0.00 O ATOM 306 CB VAL A 21 1.326 -6.148 6.361 1.00 0.00 C ATOM 307 CG1 VAL A 21 1.236 -6.907 7.677 1.00 0.00 C ATOM 308 CG2 VAL A 21 0.386 -6.748 5.326 1.00 0.00 C ATOM 0 H VAL A 21 1.959 -4.161 8.377 1.00 0.00 H new ATOM 0 HA VAL A 21 1.008 -4.148 5.605 1.00 0.00 H new ATOM 0 HB VAL A 21 2.347 -6.237 5.989 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.459 -7.960 7.506 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.955 -6.494 8.385 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.230 -6.811 8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.620 -7.804 5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.644 -6.645 5.667 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.508 -6.225 4.377 1.00 0.00 H new ATOM 318 N GLU A 22 -1.355 -4.155 6.404 1.00 0.00 N ATOM 319 CA GLU A 22 -2.720 -3.993 6.894 1.00 0.00 C ATOM 320 C GLU A 22 -3.727 -4.186 5.766 1.00 0.00 C ATOM 321 O GLU A 22 -4.841 -3.663 5.817 1.00 0.00 O ATOM 322 CB GLU A 22 -2.900 -2.611 7.525 1.00 0.00 C ATOM 323 CG GLU A 22 -2.055 -2.397 8.769 1.00 0.00 C ATOM 324 CD GLU A 22 -2.422 -3.343 9.895 1.00 0.00 C ATOM 325 OE1 GLU A 22 -3.493 -3.982 9.807 1.00 0.00 O ATOM 326 OE2 GLU A 22 -1.641 -3.447 10.862 1.00 0.00 O ATOM 0 H GLU A 22 -1.239 -3.970 5.408 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.900 -4.755 7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.647 -1.848 6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.950 -2.471 7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.003 -2.530 8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.173 -1.369 9.111 1.00 0.00 H new ATOM 333 N VAL A 23 -3.329 -4.942 4.747 1.00 0.00 N ATOM 334 CA VAL A 23 -4.197 -5.205 3.606 1.00 0.00 C ATOM 335 C VAL A 23 -4.507 -6.693 3.485 1.00 0.00 C ATOM 336 O VAL A 23 -3.601 -7.521 3.385 1.00 0.00 O ATOM 337 CB VAL A 23 -3.560 -4.716 2.292 1.00 0.00 C ATOM 338 CG1 VAL A 23 -3.705 -3.209 2.158 1.00 0.00 C ATOM 339 CG2 VAL A 23 -2.097 -5.127 2.223 1.00 0.00 C ATOM 0 H VAL A 23 -2.411 -5.383 4.689 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.123 -4.656 3.778 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.084 -5.184 1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.249 -2.881 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.762 -2.944 2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.208 -2.720 2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.663 -4.773 1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.556 -4.690 3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.022 -6.213 2.269 1.00 0.00 H new ATOM 349 N ASN A 24 -5.793 -7.026 3.499 1.00 0.00 N ATOM 350 CA ASN A 24 -6.225 -8.415 3.394 1.00 0.00 C ATOM 351 C ASN A 24 -7.366 -8.572 2.389 1.00 0.00 C ATOM 352 O ASN A 24 -8.002 -9.624 2.321 1.00 0.00 O ATOM 353 CB ASN A 24 -6.674 -8.927 4.761 1.00 0.00 C ATOM 354 CG ASN A 24 -6.259 -10.364 5.007 1.00 0.00 C ATOM 355 OD1 ASN A 24 -5.072 -10.689 5.007 1.00 0.00 O ATOM 356 ND2 ASN A 24 -7.239 -11.235 5.218 1.00 0.00 N ATOM 0 H ASN A 24 -6.555 -6.353 3.582 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.377 -9.001 3.041 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.252 -8.292 5.540 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.758 -8.847 4.837 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.021 -12.217 5.389 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.210 -10.922 5.209 1.00 0.00 H new ATOM 363 N VAL A 25 -7.621 -7.526 1.609 1.00 0.00 N ATOM 364 CA VAL A 25 -8.684 -7.558 0.615 1.00 0.00 C ATOM 365 C VAL A 25 -10.041 -7.791 1.272 1.00 0.00 C ATOM 366 O VAL A 25 -10.255 -8.806 1.937 1.00 0.00 O ATOM 367 CB VAL A 25 -8.429 -8.658 -0.432 1.00 0.00 C ATOM 368 CG1 VAL A 25 -9.574 -8.732 -1.434 1.00 0.00 C ATOM 369 CG2 VAL A 25 -7.106 -8.418 -1.144 1.00 0.00 C ATOM 0 H VAL A 25 -7.105 -6.647 1.647 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.691 -6.588 0.117 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.374 -9.615 0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.370 -9.516 -2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.503 -8.957 -0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.670 -7.776 -1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.941 -9.204 -1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.133 -7.451 -1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.294 -8.427 -0.416 1.00 0.00 H new ATOM 379 N GLY A 26 -10.956 -6.846 1.083 1.00 0.00 N ATOM 380 CA GLY A 26 -12.279 -6.967 1.664 1.00 0.00 C ATOM 381 C GLY A 26 -12.501 -6.025 2.835 1.00 0.00 C ATOM 382 O GLY A 26 -13.537 -6.086 3.496 1.00 0.00 O ATOM 0 H GLY A 26 -10.804 -5.998 0.537 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.027 -6.766 0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.431 -7.994 1.997 1.00 0.00 H new ATOM 386 N ASP A 27 -11.528 -5.155 3.097 1.00 0.00 N ATOM 387 CA ASP A 27 -11.633 -4.204 4.198 1.00 0.00 C ATOM 388 C ASP A 27 -11.992 -2.814 3.683 1.00 0.00 C ATOM 389 O ASP A 27 -11.586 -2.423 2.589 1.00 0.00 O ATOM 390 CB ASP A 27 -10.319 -4.148 4.980 1.00 0.00 C ATOM 391 CG ASP A 27 -10.286 -5.139 6.126 1.00 0.00 C ATOM 392 OD1 ASP A 27 -10.843 -4.825 7.199 1.00 0.00 O ATOM 393 OD2 ASP A 27 -9.704 -6.231 5.951 1.00 0.00 O ATOM 0 H ASP A 27 -10.661 -5.090 2.563 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.428 -4.542 4.863 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.488 -4.351 4.304 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.174 -3.141 5.370 1.00 0.00 H new ATOM 398 N THR A 28 -12.753 -2.072 4.480 1.00 0.00 N ATOM 399 CA THR A 28 -13.166 -0.725 4.106 1.00 0.00 C ATOM 400 C THR A 28 -11.979 0.233 4.126 1.00 0.00 C ATOM 401 O THR A 28 -11.199 0.252 5.078 1.00 0.00 O ATOM 402 CB THR A 28 -14.256 -0.223 5.054 1.00 0.00 C ATOM 403 OG1 THR A 28 -15.141 -1.274 5.400 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.085 0.902 4.471 1.00 0.00 C ATOM 0 H THR A 28 -13.096 -2.381 5.389 1.00 0.00 H new ATOM 0 HA THR A 28 -13.564 -0.762 3.092 1.00 0.00 H new ATOM 0 HB THR A 28 -13.727 0.153 5.930 1.00 0.00 H new ATOM 0 HG1 THR A 28 -15.830 -0.934 6.008 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.839 1.211 5.195 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.438 1.748 4.238 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.575 0.558 3.560 1.00 0.00 H new ATOM 412 N ILE A 29 -11.847 1.027 3.068 1.00 0.00 N ATOM 413 CA ILE A 29 -10.755 1.988 2.964 1.00 0.00 C ATOM 414 C ILE A 29 -11.285 3.399 2.739 1.00 0.00 C ATOM 415 O ILE A 29 -12.278 3.595 2.040 1.00 0.00 O ATOM 416 CB ILE A 29 -9.789 1.626 1.819 1.00 0.00 C ATOM 417 CG1 ILE A 29 -10.563 1.389 0.521 1.00 0.00 C ATOM 418 CG2 ILE A 29 -8.968 0.399 2.185 1.00 0.00 C ATOM 419 CD1 ILE A 29 -10.169 2.328 -0.599 1.00 0.00 C ATOM 0 H ILE A 29 -12.483 1.024 2.271 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.213 1.951 3.909 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.107 2.462 1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.404 0.361 0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.629 1.499 0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.291 0.157 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.389 0.604 3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.635 -0.444 2.366 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.758 2.102 -1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.355 3.358 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.110 2.202 -0.824 1.00 0.00 H new ATOM 431 N ALA A 30 -10.613 4.378 3.334 1.00 0.00 N ATOM 432 CA ALA A 30 -11.013 5.774 3.197 1.00 0.00 C ATOM 433 C ALA A 30 -9.953 6.572 2.448 1.00 0.00 C ATOM 434 O ALA A 30 -8.979 6.010 1.947 1.00 0.00 O ATOM 435 CB ALA A 30 -11.272 6.386 4.565 1.00 0.00 C ATOM 0 H ALA A 30 -9.788 4.231 3.916 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.936 5.810 2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.570 7.428 4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.069 5.835 5.065 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.363 6.334 5.165 1.00 0.00 H new ATOM 441 N VAL A 31 -10.146 7.885 2.374 1.00 0.00 N ATOM 442 CA VAL A 31 -9.202 8.757 1.684 1.00 0.00 C ATOM 443 C VAL A 31 -8.130 9.281 2.637 1.00 0.00 C ATOM 444 O VAL A 31 -7.732 10.443 2.559 1.00 0.00 O ATOM 445 CB VAL A 31 -9.918 9.955 1.031 1.00 0.00 C ATOM 446 CG1 VAL A 31 -9.002 10.645 0.032 1.00 0.00 C ATOM 447 CG2 VAL A 31 -11.208 9.505 0.362 1.00 0.00 C ATOM 0 H VAL A 31 -10.946 8.368 2.783 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.730 8.155 0.908 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.172 10.673 1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.525 11.488 -0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.109 11.003 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.714 9.938 -0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.700 10.364 -0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.981 8.767 -0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.869 9.061 1.107 1.00 0.00 H new ATOM 457 N ASP A 32 -7.665 8.416 3.536 1.00 0.00 N ATOM 458 CA ASP A 32 -6.638 8.789 4.506 1.00 0.00 C ATOM 459 C ASP A 32 -6.503 7.720 5.585 1.00 0.00 C ATOM 460 O ASP A 32 -6.787 7.968 6.757 1.00 0.00 O ATOM 461 CB ASP A 32 -6.970 10.136 5.151 1.00 0.00 C ATOM 462 CG ASP A 32 -8.445 10.275 5.475 1.00 0.00 C ATOM 463 OD1 ASP A 32 -8.995 9.368 6.134 1.00 0.00 O ATOM 464 OD2 ASP A 32 -9.050 11.289 5.068 1.00 0.00 O ATOM 0 H ASP A 32 -7.984 7.450 3.613 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.690 8.876 3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.388 10.251 6.065 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.671 10.941 4.479 1.00 0.00 H new ATOM 469 N ASP A 33 -6.067 6.528 5.184 1.00 0.00 N ATOM 470 CA ASP A 33 -5.897 5.426 6.122 1.00 0.00 C ATOM 471 C ASP A 33 -4.641 4.628 5.796 1.00 0.00 C ATOM 472 O ASP A 33 -4.553 3.993 4.745 1.00 0.00 O ATOM 473 CB ASP A 33 -7.122 4.510 6.095 1.00 0.00 C ATOM 474 CG ASP A 33 -7.509 4.101 4.687 1.00 0.00 C ATOM 475 OD1 ASP A 33 -8.060 4.948 3.954 1.00 0.00 O ATOM 476 OD2 ASP A 33 -7.260 2.933 4.318 1.00 0.00 O ATOM 0 H ASP A 33 -5.826 6.303 4.219 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.791 5.845 7.123 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.918 3.617 6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.963 5.019 6.566 1.00 0.00 H new ATOM 481 N THR A 34 -3.669 4.666 6.700 1.00 0.00 N ATOM 482 CA THR A 34 -2.418 3.948 6.500 1.00 0.00 C ATOM 483 C THR A 34 -2.661 2.477 6.207 1.00 0.00 C ATOM 484 O THR A 34 -3.159 1.733 7.053 1.00 0.00 O ATOM 485 CB THR A 34 -1.513 4.086 7.713 1.00 0.00 C ATOM 486 OG1 THR A 34 -2.266 4.310 8.891 1.00 0.00 O ATOM 487 CG2 THR A 34 -0.507 5.207 7.578 1.00 0.00 C ATOM 0 H THR A 34 -3.724 5.185 7.576 1.00 0.00 H new ATOM 0 HA THR A 34 -1.926 4.395 5.636 1.00 0.00 H new ATOM 0 HB THR A 34 -0.973 3.141 7.778 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.659 4.393 9.656 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.109 5.253 8.476 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.128 5.023 6.712 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.032 6.153 7.449 1.00 0.00 H new ATOM 495 N LEU A 35 -2.285 2.063 5.006 1.00 0.00 N ATOM 496 CA LEU A 35 -2.434 0.678 4.591 1.00 0.00 C ATOM 497 C LEU A 35 -1.167 -0.090 4.929 1.00 0.00 C ATOM 498 O LEU A 35 -1.212 -1.276 5.251 1.00 0.00 O ATOM 499 CB LEU A 35 -2.722 0.595 3.090 1.00 0.00 C ATOM 500 CG LEU A 35 -4.133 1.018 2.678 1.00 0.00 C ATOM 501 CD1 LEU A 35 -4.337 0.814 1.185 1.00 0.00 C ATOM 502 CD2 LEU A 35 -5.176 0.243 3.471 1.00 0.00 C ATOM 0 H LEU A 35 -1.872 2.671 4.299 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.276 0.235 5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.003 1.221 2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.555 -0.430 2.759 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.252 2.079 2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.346 1.120 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.613 1.414 0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.198 -0.239 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.174 0.557 3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.058 -0.824 3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.045 0.440 4.535 1.00 0.00 H new ATOM 514 N ILE A 36 -0.038 0.614 4.872 1.00 0.00 N ATOM 515 CA ILE A 36 1.258 0.026 5.192 1.00 0.00 C ATOM 516 C ILE A 36 2.297 1.110 5.460 1.00 0.00 C ATOM 517 O ILE A 36 1.988 2.301 5.426 1.00 0.00 O ATOM 518 CB ILE A 36 1.777 -0.909 4.072 1.00 0.00 C ATOM 519 CG1 ILE A 36 1.683 -0.272 2.676 1.00 0.00 C ATOM 520 CG2 ILE A 36 1.007 -2.213 4.093 1.00 0.00 C ATOM 521 CD1 ILE A 36 1.943 1.221 2.630 1.00 0.00 C ATOM 0 H ILE A 36 0.003 1.598 4.605 1.00 0.00 H new ATOM 0 HA ILE A 36 1.108 -0.572 6.091 1.00 0.00 H new ATOM 0 HB ILE A 36 2.833 -1.092 4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.396 -0.769 2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.689 -0.464 2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.377 -2.867 3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.142 -2.700 5.059 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.052 -2.013 3.932 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.853 1.574 1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.215 1.737 3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.948 1.427 2.998 1.00 0.00 H new ATOM 533 N THR A 37 3.530 0.692 5.706 1.00 0.00 N ATOM 534 CA THR A 37 4.615 1.626 5.954 1.00 0.00 C ATOM 535 C THR A 37 5.896 1.117 5.305 1.00 0.00 C ATOM 536 O THR A 37 6.346 0.005 5.577 1.00 0.00 O ATOM 537 CB THR A 37 4.811 1.840 7.457 1.00 0.00 C ATOM 538 OG1 THR A 37 3.664 2.445 8.027 1.00 0.00 O ATOM 539 CG2 THR A 37 6.002 2.714 7.788 1.00 0.00 C ATOM 0 H THR A 37 3.803 -0.290 5.739 1.00 0.00 H new ATOM 0 HA THR A 37 4.360 2.589 5.511 1.00 0.00 H new ATOM 0 HB THR A 37 4.985 0.847 7.871 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.805 2.573 8.988 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.083 2.825 8.869 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.911 2.252 7.402 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.871 3.695 7.332 1.00 0.00 H new ATOM 547 N LEU A 38 6.468 1.928 4.424 1.00 0.00 N ATOM 548 CA LEU A 38 7.685 1.553 3.717 1.00 0.00 C ATOM 549 C LEU A 38 8.902 2.252 4.306 1.00 0.00 C ATOM 550 O LEU A 38 8.770 3.179 5.104 1.00 0.00 O ATOM 551 CB LEU A 38 7.552 1.902 2.238 1.00 0.00 C ATOM 552 CG LEU A 38 8.174 0.895 1.279 1.00 0.00 C ATOM 553 CD1 LEU A 38 7.255 -0.304 1.104 1.00 0.00 C ATOM 554 CD2 LEU A 38 8.460 1.556 -0.059 1.00 0.00 C ATOM 0 H LEU A 38 6.108 2.851 4.182 1.00 0.00 H new ATOM 0 HA LEU A 38 7.825 0.478 3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.494 2.003 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.012 2.875 2.067 1.00 0.00 H new ATOM 0 HG LEU A 38 9.117 0.543 1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.712 -1.015 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.095 -0.784 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.298 0.027 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.904 0.827 -0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.530 1.929 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.152 2.386 0.086 1.00 0.00 H new ATOM 566 N GLU A 39 10.089 1.801 3.911 1.00 0.00 N ATOM 567 CA GLU A 39 11.325 2.391 4.411 1.00 0.00 C ATOM 568 C GLU A 39 12.529 1.923 3.603 1.00 0.00 C ATOM 569 O GLU A 39 12.442 0.968 2.832 1.00 0.00 O ATOM 570 CB GLU A 39 11.514 2.034 5.884 1.00 0.00 C ATOM 571 CG GLU A 39 12.575 2.868 6.584 1.00 0.00 C ATOM 572 CD GLU A 39 13.920 2.171 6.640 1.00 0.00 C ATOM 573 OE1 GLU A 39 14.128 1.218 5.861 1.00 0.00 O ATOM 574 OE2 GLU A 39 14.765 2.578 7.465 1.00 0.00 O ATOM 0 H GLU A 39 10.220 1.034 3.251 1.00 0.00 H new ATOM 0 HA GLU A 39 11.249 3.473 4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.564 2.160 6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.783 0.981 5.962 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.685 3.820 6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.244 3.094 7.598 1.00 0.00 H new ATOM 581 N THR A 40 13.654 2.606 3.789 1.00 0.00 N ATOM 582 CA THR A 40 14.884 2.268 3.083 1.00 0.00 C ATOM 583 C THR A 40 16.020 2.024 4.068 1.00 0.00 C ATOM 584 O THR A 40 16.605 0.940 4.105 1.00 0.00 O ATOM 585 CB THR A 40 15.266 3.391 2.118 1.00 0.00 C ATOM 586 OG1 THR A 40 15.910 4.449 2.807 1.00 0.00 O ATOM 587 CG2 THR A 40 14.080 3.978 1.383 1.00 0.00 C ATOM 0 H THR A 40 13.739 3.399 4.425 1.00 0.00 H new ATOM 0 HA THR A 40 14.712 1.353 2.516 1.00 0.00 H new ATOM 0 HB THR A 40 15.933 2.930 1.390 1.00 0.00 H new ATOM 0 HG1 THR A 40 16.148 5.156 2.172 1.00 0.00 H new ATOM 0 HG21 THR A 40 14.421 4.769 0.715 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.590 3.198 0.801 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.374 4.391 2.103 1.00 0.00 H new ATOM 595 N ASP A 41 16.325 3.040 4.864 1.00 0.00 N ATOM 596 CA ASP A 41 17.390 2.946 5.856 1.00 0.00 C ATOM 597 C ASP A 41 17.397 4.172 6.764 1.00 0.00 C ATOM 598 O ASP A 41 17.598 4.061 7.973 1.00 0.00 O ATOM 599 CB ASP A 41 18.747 2.799 5.166 1.00 0.00 C ATOM 600 CG ASP A 41 19.804 2.219 6.086 1.00 0.00 C ATOM 601 OD1 ASP A 41 19.596 1.098 6.596 1.00 0.00 O ATOM 602 OD2 ASP A 41 20.840 2.886 6.295 1.00 0.00 O ATOM 0 H ASP A 41 15.849 3.942 4.843 1.00 0.00 H new ATOM 0 HA ASP A 41 17.205 2.064 6.469 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.639 2.158 4.291 1.00 0.00 H new ATOM 0 HB3 ASP A 41 19.077 3.774 4.808 1.00 0.00 H new ATOM 607 N LYS A 42 17.177 5.342 6.172 1.00 0.00 N ATOM 608 CA LYS A 42 17.161 6.590 6.928 1.00 0.00 C ATOM 609 C LYS A 42 15.792 7.262 6.857 1.00 0.00 C ATOM 610 O LYS A 42 15.390 7.967 7.782 1.00 0.00 O ATOM 611 CB LYS A 42 18.236 7.542 6.400 1.00 0.00 C ATOM 612 CG LYS A 42 19.223 7.996 7.464 1.00 0.00 C ATOM 613 CD LYS A 42 18.534 8.799 8.555 1.00 0.00 C ATOM 614 CE LYS A 42 19.055 10.226 8.609 1.00 0.00 C ATOM 615 NZ LYS A 42 18.104 11.189 7.991 1.00 0.00 N ATOM 0 H LYS A 42 17.008 5.452 5.172 1.00 0.00 H new ATOM 0 HA LYS A 42 17.371 6.353 7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 42 18.783 7.049 5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 42 17.753 8.418 5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 42 19.711 7.126 7.904 1.00 0.00 H new ATOM 0 HG3 LYS A 42 20.004 8.601 7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 42 17.459 8.810 8.377 1.00 0.00 H new ATOM 0 HD3 LYS A 42 18.692 8.316 9.519 1.00 0.00 H new ATOM 0 HE2 LYS A 42 19.234 10.508 9.647 1.00 0.00 H new ATOM 0 HE3 LYS A 42 20.014 10.282 8.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 18.497 12.150 8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.953 10.936 6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.197 11.155 8.498 1.00 0.00 H new ATOM 629 N ALA A 43 15.080 7.044 5.754 1.00 0.00 N ATOM 630 CA ALA A 43 13.759 7.636 5.571 1.00 0.00 C ATOM 631 C ALA A 43 12.674 6.566 5.510 1.00 0.00 C ATOM 632 O ALA A 43 12.802 5.577 4.788 1.00 0.00 O ATOM 633 CB ALA A 43 13.734 8.483 4.307 1.00 0.00 C ATOM 0 H ALA A 43 15.395 6.464 4.976 1.00 0.00 H new ATOM 0 HA ALA A 43 13.554 8.272 6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.743 8.919 4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.474 9.279 4.388 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.967 7.858 3.445 1.00 0.00 H new ATOM 639 N THR A 44 11.606 6.771 6.276 1.00 0.00 N ATOM 640 CA THR A 44 10.494 5.825 6.310 1.00 0.00 C ATOM 641 C THR A 44 9.222 6.465 5.763 1.00 0.00 C ATOM 642 O THR A 44 8.927 7.625 6.052 1.00 0.00 O ATOM 643 CB THR A 44 10.256 5.335 7.741 1.00 0.00 C ATOM 644 OG1 THR A 44 9.402 6.223 8.439 1.00 0.00 O ATOM 645 CG2 THR A 44 11.529 5.193 8.549 1.00 0.00 C ATOM 0 H THR A 44 11.487 7.583 6.881 1.00 0.00 H new ATOM 0 HA THR A 44 10.754 4.974 5.681 1.00 0.00 H new ATOM 0 HB THR A 44 9.802 4.350 7.635 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.261 5.892 9.351 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.286 4.842 9.552 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.190 4.475 8.064 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.029 6.160 8.614 1.00 0.00 H new ATOM 653 N MET A 45 8.471 5.706 4.969 1.00 0.00 N ATOM 654 CA MET A 45 7.234 6.209 4.383 1.00 0.00 C ATOM 655 C MET A 45 6.062 5.278 4.677 1.00 0.00 C ATOM 656 O MET A 45 6.214 4.265 5.358 1.00 0.00 O ATOM 657 CB MET A 45 7.392 6.379 2.871 1.00 0.00 C ATOM 658 CG MET A 45 7.768 7.792 2.458 1.00 0.00 C ATOM 659 SD MET A 45 6.371 8.715 1.788 1.00 0.00 S ATOM 660 CE MET A 45 6.526 10.260 2.681 1.00 0.00 C ATOM 0 H MET A 45 8.697 4.744 4.718 1.00 0.00 H new ATOM 0 HA MET A 45 7.024 7.178 4.835 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.156 5.689 2.513 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.458 6.102 2.382 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.170 8.324 3.321 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.562 7.749 1.712 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.730 10.939 2.375 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.450 10.071 3.752 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.493 10.712 2.460 1.00 0.00 H new ATOM 670 N ASP A 46 4.892 5.633 4.154 1.00 0.00 N ATOM 671 CA ASP A 46 3.687 4.835 4.350 1.00 0.00 C ATOM 672 C ASP A 46 2.582 5.288 3.402 1.00 0.00 C ATOM 673 O ASP A 46 2.643 6.383 2.844 1.00 0.00 O ATOM 674 CB ASP A 46 3.210 4.937 5.800 1.00 0.00 C ATOM 675 CG ASP A 46 3.123 6.372 6.282 1.00 0.00 C ATOM 676 OD1 ASP A 46 2.106 7.037 5.990 1.00 0.00 O ATOM 677 OD2 ASP A 46 4.074 6.833 6.948 1.00 0.00 O ATOM 0 H ASP A 46 4.753 6.471 3.589 1.00 0.00 H new ATOM 0 HA ASP A 46 3.927 3.795 4.131 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.231 4.466 5.891 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.892 4.381 6.444 1.00 0.00 H new ATOM 682 N VAL A 47 1.576 4.438 3.217 1.00 0.00 N ATOM 683 CA VAL A 47 0.469 4.764 2.326 1.00 0.00 C ATOM 684 C VAL A 47 -0.838 4.928 3.098 1.00 0.00 C ATOM 685 O VAL A 47 -1.398 3.948 3.592 1.00 0.00 O ATOM 686 CB VAL A 47 0.282 3.679 1.243 1.00 0.00 C ATOM 687 CG1 VAL A 47 -0.949 3.971 0.390 1.00 0.00 C ATOM 688 CG2 VAL A 47 1.527 3.577 0.374 1.00 0.00 C ATOM 0 H VAL A 47 1.505 3.526 3.668 1.00 0.00 H new ATOM 0 HA VAL A 47 0.721 5.710 1.846 1.00 0.00 H new ATOM 0 HB VAL A 47 0.129 2.721 1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.061 3.194 -0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.835 3.990 1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.832 4.938 -0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.379 2.808 -0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.711 4.535 -0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.384 3.315 0.995 1.00 0.00 H new ATOM 698 N PRO A 48 -1.347 6.172 3.199 1.00 0.00 N ATOM 699 CA PRO A 48 -2.594 6.468 3.894 1.00 0.00 C ATOM 700 C PRO A 48 -3.799 6.359 2.967 1.00 0.00 C ATOM 701 O PRO A 48 -4.685 7.211 2.983 1.00 0.00 O ATOM 702 CB PRO A 48 -2.386 7.912 4.331 1.00 0.00 C ATOM 703 CG PRO A 48 -1.567 8.516 3.238 1.00 0.00 C ATOM 704 CD PRO A 48 -0.747 7.396 2.635 1.00 0.00 C ATOM 0 HA PRO A 48 -2.800 5.778 4.712 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.336 8.432 4.449 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.871 7.967 5.290 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.207 8.975 2.485 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.920 9.301 3.629 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.802 7.402 1.546 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.306 7.484 2.902 1.00 0.00 H new ATOM 712 N ALA A 49 -3.818 5.309 2.152 1.00 0.00 N ATOM 713 CA ALA A 49 -4.909 5.095 1.209 1.00 0.00 C ATOM 714 C ALA A 49 -5.108 6.323 0.327 1.00 0.00 C ATOM 715 O ALA A 49 -4.505 7.370 0.565 1.00 0.00 O ATOM 716 CB ALA A 49 -6.191 4.759 1.953 1.00 0.00 C ATOM 0 H ALA A 49 -3.091 4.594 2.126 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.649 4.254 0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.997 4.602 1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.044 3.852 2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.452 5.582 2.618 1.00 0.00 H new ATOM 722 N GLU A 50 -5.948 6.190 -0.693 1.00 0.00 N ATOM 723 CA GLU A 50 -6.210 7.298 -1.605 1.00 0.00 C ATOM 724 C GLU A 50 -7.558 7.147 -2.290 1.00 0.00 C ATOM 725 O GLU A 50 -7.722 7.549 -3.440 1.00 0.00 O ATOM 726 CB GLU A 50 -5.099 7.392 -2.653 1.00 0.00 C ATOM 727 CG GLU A 50 -5.104 6.248 -3.654 1.00 0.00 C ATOM 728 CD GLU A 50 -4.417 6.608 -4.956 1.00 0.00 C ATOM 729 OE1 GLU A 50 -4.684 7.708 -5.484 1.00 0.00 O ATOM 730 OE2 GLU A 50 -3.612 5.790 -5.449 1.00 0.00 O ATOM 0 H GLU A 50 -6.456 5.332 -0.909 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.231 8.216 -1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.199 8.334 -3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.134 7.415 -2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.608 5.383 -3.213 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.134 5.955 -3.860 1.00 0.00 H new ATOM 737 N VAL A 51 -8.518 6.565 -1.579 1.00 0.00 N ATOM 738 CA VAL A 51 -9.853 6.358 -2.129 1.00 0.00 C ATOM 739 C VAL A 51 -10.815 5.847 -1.061 1.00 0.00 C ATOM 740 O VAL A 51 -10.403 5.509 0.046 1.00 0.00 O ATOM 741 CB VAL A 51 -9.826 5.368 -3.311 1.00 0.00 C ATOM 742 CG1 VAL A 51 -9.608 6.117 -4.617 1.00 0.00 C ATOM 743 CG2 VAL A 51 -8.743 4.314 -3.109 1.00 0.00 C ATOM 0 H VAL A 51 -8.397 6.229 -0.623 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.203 7.325 -2.489 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.788 4.858 -3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.591 5.408 -5.445 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.419 6.830 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.658 6.650 -4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.742 3.626 -3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.771 4.801 -3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.941 3.760 -2.191 1.00 0.00 H new ATOM 753 N ALA A 52 -12.103 5.810 -1.394 1.00 0.00 N ATOM 754 CA ALA A 52 -13.121 5.360 -0.449 1.00 0.00 C ATOM 755 C ALA A 52 -13.917 4.178 -0.980 1.00 0.00 C ATOM 756 O ALA A 52 -14.990 4.352 -1.554 1.00 0.00 O ATOM 757 CB ALA A 52 -14.065 6.497 -0.133 1.00 0.00 C ATOM 0 H ALA A 52 -12.465 6.085 -2.307 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.604 5.035 0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.822 6.156 0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.506 7.323 0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.549 6.834 -1.050 1.00 0.00 H new ATOM 763 N GLY A 53 -13.406 2.978 -0.772 1.00 0.00 N ATOM 764 CA GLY A 53 -14.106 1.797 -1.235 1.00 0.00 C ATOM 765 C GLY A 53 -13.672 0.533 -0.521 1.00 0.00 C ATOM 766 O GLY A 53 -13.553 0.511 0.704 1.00 0.00 O ATOM 0 H GLY A 53 -12.523 2.798 -0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.178 1.938 -1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.939 1.679 -2.306 1.00 0.00 H new ATOM 770 N VAL A 54 -13.441 -0.525 -1.291 1.00 0.00 N ATOM 771 CA VAL A 54 -13.025 -1.807 -0.733 1.00 0.00 C ATOM 772 C VAL A 54 -11.879 -2.405 -1.542 1.00 0.00 C ATOM 773 O VAL A 54 -11.862 -2.308 -2.769 1.00 0.00 O ATOM 774 CB VAL A 54 -14.200 -2.805 -0.709 1.00 0.00 C ATOM 775 CG1 VAL A 54 -13.749 -4.165 -0.195 1.00 0.00 C ATOM 776 CG2 VAL A 54 -15.342 -2.263 0.138 1.00 0.00 C ATOM 0 H VAL A 54 -13.535 -0.520 -2.307 1.00 0.00 H new ATOM 0 HA VAL A 54 -12.689 -1.624 0.288 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.558 -2.933 -1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.596 -4.851 -0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -12.969 -4.559 -0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -13.359 -4.060 0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.163 -2.980 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -14.994 -2.102 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -15.689 -1.318 -0.280 1.00 0.00 H new ATOM 786 N VAL A 55 -10.922 -3.025 -0.855 1.00 0.00 N ATOM 787 CA VAL A 55 -9.783 -3.631 -1.532 1.00 0.00 C ATOM 788 C VAL A 55 -10.177 -4.924 -2.229 1.00 0.00 C ATOM 789 O VAL A 55 -10.985 -5.701 -1.720 1.00 0.00 O ATOM 790 CB VAL A 55 -8.614 -3.927 -0.572 1.00 0.00 C ATOM 791 CG1 VAL A 55 -7.442 -4.548 -1.331 1.00 0.00 C ATOM 792 CG2 VAL A 55 -8.178 -2.657 0.142 1.00 0.00 C ATOM 0 H VAL A 55 -10.914 -3.119 0.161 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.453 -2.898 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.954 -4.642 0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.626 -4.750 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.763 -5.480 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.101 -3.857 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.352 -2.884 0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.855 -1.919 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.014 -2.256 0.715 1.00 0.00 H new ATOM 802 N LYS A 56 -9.580 -5.150 -3.387 1.00 0.00 N ATOM 803 CA LYS A 56 -9.836 -6.353 -4.164 1.00 0.00 C ATOM 804 C LYS A 56 -8.601 -7.227 -4.161 1.00 0.00 C ATOM 805 O LYS A 56 -8.674 -8.435 -3.934 1.00 0.00 O ATOM 806 CB LYS A 56 -10.198 -6.023 -5.618 1.00 0.00 C ATOM 807 CG LYS A 56 -10.277 -4.535 -5.929 1.00 0.00 C ATOM 808 CD LYS A 56 -11.492 -3.894 -5.279 1.00 0.00 C ATOM 809 CE LYS A 56 -12.786 -4.388 -5.905 1.00 0.00 C ATOM 810 NZ LYS A 56 -13.806 -4.732 -4.877 1.00 0.00 N ATOM 0 H LYS A 56 -8.909 -4.511 -3.813 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.679 -6.870 -3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.458 -6.479 -6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.159 -6.481 -5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.372 -4.040 -5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.321 -4.390 -7.008 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.495 -4.117 -4.212 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.429 -2.810 -5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.184 -3.620 -6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.580 -5.265 -6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.409 -5.502 -5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.330 -5.037 -4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.393 -3.897 -4.677 1.00 0.00 H new ATOM 824 N GLU A 57 -7.463 -6.602 -4.431 1.00 0.00 N ATOM 825 CA GLU A 57 -6.210 -7.319 -4.476 1.00 0.00 C ATOM 826 C GLU A 57 -5.276 -6.893 -3.346 1.00 0.00 C ATOM 827 O GLU A 57 -5.551 -5.938 -2.620 1.00 0.00 O ATOM 828 CB GLU A 57 -5.527 -7.111 -5.828 1.00 0.00 C ATOM 829 CG GLU A 57 -5.890 -8.162 -6.863 1.00 0.00 C ATOM 830 CD GLU A 57 -5.499 -7.755 -8.270 1.00 0.00 C ATOM 831 OE1 GLU A 57 -4.574 -6.928 -8.413 1.00 0.00 O ATOM 832 OE2 GLU A 57 -6.118 -8.262 -9.229 1.00 0.00 O ATOM 0 H GLU A 57 -7.388 -5.603 -4.621 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.432 -8.378 -4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.795 -6.127 -6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.447 -7.114 -5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.397 -9.101 -6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.964 -8.346 -6.827 1.00 0.00 H new ATOM 839 N VAL A 58 -4.170 -7.615 -3.215 1.00 0.00 N ATOM 840 CA VAL A 58 -3.174 -7.338 -2.188 1.00 0.00 C ATOM 841 C VAL A 58 -1.845 -7.976 -2.562 1.00 0.00 C ATOM 842 O VAL A 58 -1.753 -9.192 -2.732 1.00 0.00 O ATOM 843 CB VAL A 58 -3.618 -7.869 -0.814 1.00 0.00 C ATOM 844 CG1 VAL A 58 -3.915 -9.358 -0.894 1.00 0.00 C ATOM 845 CG2 VAL A 58 -2.557 -7.583 0.238 1.00 0.00 C ATOM 0 H VAL A 58 -3.939 -8.406 -3.816 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.063 -6.256 -2.123 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.532 -7.353 -0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.228 -9.720 0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.712 -9.532 -1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.018 -9.892 -1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.889 -7.966 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.624 -8.071 -0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.397 -6.507 0.310 1.00 0.00 H new ATOM 855 N LYS A 59 -0.823 -7.149 -2.710 1.00 0.00 N ATOM 856 CA LYS A 59 0.500 -7.627 -3.087 1.00 0.00 C ATOM 857 C LYS A 59 1.570 -6.978 -2.221 1.00 0.00 C ATOM 858 O LYS A 59 2.427 -6.246 -2.717 1.00 0.00 O ATOM 859 CB LYS A 59 0.756 -7.324 -4.562 1.00 0.00 C ATOM 860 CG LYS A 59 -0.499 -7.408 -5.418 1.00 0.00 C ATOM 861 CD LYS A 59 -0.209 -8.001 -6.784 1.00 0.00 C ATOM 862 CE LYS A 59 -1.249 -7.569 -7.807 1.00 0.00 C ATOM 863 NZ LYS A 59 -1.985 -8.732 -8.375 1.00 0.00 N ATOM 0 H LYS A 59 -0.883 -6.140 -2.575 1.00 0.00 H new ATOM 0 HA LYS A 59 0.543 -8.705 -2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.183 -6.325 -4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.498 -8.024 -4.947 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.247 -8.016 -4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.926 -6.412 -5.537 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.781 -7.689 -7.115 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.194 -9.089 -6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.957 -6.885 -7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.760 -7.020 -8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.937 -8.431 -8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.469 -9.100 -9.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.064 -9.478 -7.655 1.00 0.00 H new ATOM 877 N VAL A 60 1.505 -7.243 -0.923 1.00 0.00 N ATOM 878 CA VAL A 60 2.459 -6.679 0.019 1.00 0.00 C ATOM 879 C VAL A 60 2.327 -7.347 1.386 1.00 0.00 C ATOM 880 O VAL A 60 1.246 -7.790 1.776 1.00 0.00 O ATOM 881 CB VAL A 60 2.274 -5.139 0.140 1.00 0.00 C ATOM 882 CG1 VAL A 60 0.807 -4.759 -0.006 1.00 0.00 C ATOM 883 CG2 VAL A 60 2.842 -4.583 1.446 1.00 0.00 C ATOM 0 H VAL A 60 0.800 -7.846 -0.499 1.00 0.00 H new ATOM 0 HA VAL A 60 3.463 -6.871 -0.360 1.00 0.00 H new ATOM 0 HB VAL A 60 2.840 -4.688 -0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.701 -3.678 0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.443 -5.081 -0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.225 -5.246 0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.687 -3.505 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.335 -5.049 2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.909 -4.798 1.499 1.00 0.00 H new ATOM 893 N LYS A 61 3.440 -7.409 2.102 1.00 0.00 N ATOM 894 CA LYS A 61 3.470 -8.017 3.426 1.00 0.00 C ATOM 895 C LYS A 61 4.364 -7.214 4.364 1.00 0.00 C ATOM 896 O LYS A 61 4.793 -6.109 4.033 1.00 0.00 O ATOM 897 CB LYS A 61 3.967 -9.461 3.338 1.00 0.00 C ATOM 898 CG LYS A 61 3.222 -10.299 2.310 1.00 0.00 C ATOM 899 CD LYS A 61 2.863 -11.669 2.864 1.00 0.00 C ATOM 900 CE LYS A 61 2.796 -12.715 1.763 1.00 0.00 C ATOM 901 NZ LYS A 61 1.900 -12.295 0.650 1.00 0.00 N ATOM 0 H LYS A 61 4.339 -7.044 1.787 1.00 0.00 H new ATOM 0 HA LYS A 61 2.456 -8.017 3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.029 -9.457 3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.870 -9.930 4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.314 -9.779 2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.838 -10.416 1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.603 -11.968 3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.902 -11.615 3.375 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.798 -12.896 1.374 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.440 -13.658 2.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.706 -13.110 0.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.005 -11.936 1.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.362 -11.545 0.097 1.00 0.00 H new ATOM 915 N VAL A 62 4.644 -7.775 5.535 1.00 0.00 N ATOM 916 CA VAL A 62 5.489 -7.108 6.515 1.00 0.00 C ATOM 917 C VAL A 62 6.945 -7.540 6.369 1.00 0.00 C ATOM 918 O VAL A 62 7.631 -7.792 7.359 1.00 0.00 O ATOM 919 CB VAL A 62 5.019 -7.397 7.953 1.00 0.00 C ATOM 920 CG1 VAL A 62 5.156 -8.876 8.273 1.00 0.00 C ATOM 921 CG2 VAL A 62 5.798 -6.551 8.949 1.00 0.00 C ATOM 0 H VAL A 62 4.298 -8.689 5.827 1.00 0.00 H new ATOM 0 HA VAL A 62 5.410 -6.038 6.325 1.00 0.00 H new ATOM 0 HB VAL A 62 3.965 -7.130 8.032 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.819 -9.060 9.293 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.547 -9.456 7.579 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.200 -9.174 8.176 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.453 -6.768 9.960 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.860 -6.783 8.871 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.640 -5.495 8.731 1.00 0.00 H new ATOM 931 N GLY A 63 7.409 -7.623 5.126 1.00 0.00 N ATOM 932 CA GLY A 63 8.780 -8.025 4.870 1.00 0.00 C ATOM 933 C GLY A 63 8.988 -8.511 3.448 1.00 0.00 C ATOM 934 O GLY A 63 9.168 -9.706 3.215 1.00 0.00 O ATOM 0 H GLY A 63 6.860 -7.419 4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.444 -7.183 5.063 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.059 -8.817 5.565 1.00 0.00 H new ATOM 938 N ASP A 64 8.962 -7.583 2.496 1.00 0.00 N ATOM 939 CA ASP A 64 9.150 -7.926 1.090 1.00 0.00 C ATOM 940 C ASP A 64 9.643 -6.720 0.294 1.00 0.00 C ATOM 941 O ASP A 64 9.264 -5.582 0.571 1.00 0.00 O ATOM 942 CB ASP A 64 7.843 -8.450 0.490 1.00 0.00 C ATOM 943 CG ASP A 64 6.644 -7.612 0.887 1.00 0.00 C ATOM 944 OD1 ASP A 64 6.478 -7.347 2.097 1.00 0.00 O ATOM 945 OD2 ASP A 64 5.869 -7.222 -0.012 1.00 0.00 O ATOM 0 H ASP A 64 8.813 -6.589 2.672 1.00 0.00 H new ATOM 0 HA ASP A 64 9.907 -8.709 1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.927 -8.466 -0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.686 -9.479 0.813 1.00 0.00 H new ATOM 950 N LYS A 65 10.493 -6.981 -0.695 1.00 0.00 N ATOM 951 CA LYS A 65 11.047 -5.923 -1.535 1.00 0.00 C ATOM 952 C LYS A 65 9.965 -5.283 -2.398 1.00 0.00 C ATOM 953 O LYS A 65 9.181 -5.978 -3.045 1.00 0.00 O ATOM 954 CB LYS A 65 12.158 -6.482 -2.425 1.00 0.00 C ATOM 955 CG LYS A 65 13.432 -6.822 -1.668 1.00 0.00 C ATOM 956 CD LYS A 65 14.643 -6.124 -2.267 1.00 0.00 C ATOM 957 CE LYS A 65 15.365 -5.277 -1.232 1.00 0.00 C ATOM 958 NZ LYS A 65 16.612 -4.673 -1.779 1.00 0.00 N ATOM 0 H LYS A 65 10.814 -7.919 -0.935 1.00 0.00 H new ATOM 0 HA LYS A 65 11.462 -5.156 -0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.793 -7.378 -2.927 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.390 -5.754 -3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.324 -6.531 -0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.588 -7.901 -1.684 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.329 -6.867 -2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.327 -5.494 -3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.701 -4.486 -0.884 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.609 -5.892 -0.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.074 -4.103 -1.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.257 -5.428 -2.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.377 -4.065 -2.589 1.00 0.00 H new ATOM 972 N ILE A 66 9.926 -3.955 -2.400 1.00 0.00 N ATOM 973 CA ILE A 66 8.942 -3.218 -3.177 1.00 0.00 C ATOM 974 C ILE A 66 9.585 -2.040 -3.914 1.00 0.00 C ATOM 975 O ILE A 66 10.784 -1.808 -3.796 1.00 0.00 O ATOM 976 CB ILE A 66 7.766 -2.753 -2.265 1.00 0.00 C ATOM 977 CG1 ILE A 66 6.439 -3.053 -2.946 1.00 0.00 C ATOM 978 CG2 ILE A 66 7.858 -1.279 -1.874 1.00 0.00 C ATOM 979 CD1 ILE A 66 6.313 -4.502 -3.335 1.00 0.00 C ATOM 0 H ILE A 66 10.568 -3.367 -1.869 1.00 0.00 H new ATOM 0 HA ILE A 66 8.535 -3.886 -3.936 1.00 0.00 H new ATOM 0 HB ILE A 66 7.835 -3.316 -1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.621 -2.786 -2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.340 -2.430 -3.835 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.011 -1.017 -1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.786 -1.104 -1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.842 -0.662 -2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.350 -4.667 -3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.114 -4.764 -4.026 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.384 -5.125 -2.444 1.00 0.00 H new ATOM 991 N SER A 67 8.784 -1.306 -4.681 1.00 0.00 N ATOM 992 CA SER A 67 9.295 -0.165 -5.431 1.00 0.00 C ATOM 993 C SER A 67 8.197 0.854 -5.733 1.00 0.00 C ATOM 994 O SER A 67 7.227 0.546 -6.425 1.00 0.00 O ATOM 995 CB SER A 67 9.929 -0.644 -6.738 1.00 0.00 C ATOM 996 OG SER A 67 10.685 -1.825 -6.536 1.00 0.00 O ATOM 0 H SER A 67 7.786 -1.480 -4.799 1.00 0.00 H new ATOM 0 HA SER A 67 10.046 0.327 -4.814 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.150 -0.830 -7.477 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.572 0.138 -7.142 1.00 0.00 H new ATOM 0 HG SER A 67 11.615 -1.667 -6.802 1.00 0.00 H new ATOM 1002 N GLU A 68 8.366 2.073 -5.211 1.00 0.00 N ATOM 1003 CA GLU A 68 7.405 3.162 -5.418 1.00 0.00 C ATOM 1004 C GLU A 68 6.842 3.154 -6.838 1.00 0.00 C ATOM 1005 O GLU A 68 7.413 3.760 -7.744 1.00 0.00 O ATOM 1006 CB GLU A 68 8.075 4.508 -5.140 1.00 0.00 C ATOM 1007 CG GLU A 68 9.479 4.621 -5.709 1.00 0.00 C ATOM 1008 CD GLU A 68 9.580 5.661 -6.808 1.00 0.00 C ATOM 1009 OE1 GLU A 68 8.531 6.024 -7.380 1.00 0.00 O ATOM 1010 OE2 GLU A 68 10.708 6.113 -7.096 1.00 0.00 O ATOM 0 H GLU A 68 9.168 2.332 -4.636 1.00 0.00 H new ATOM 0 HA GLU A 68 6.577 3.010 -4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.458 5.304 -5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.115 4.668 -4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.173 4.876 -4.908 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.787 3.652 -6.101 1.00 0.00 H new ATOM 1017 N GLY A 69 5.720 2.464 -7.026 1.00 0.00 N ATOM 1018 CA GLY A 69 5.108 2.399 -8.339 1.00 0.00 C ATOM 1019 C GLY A 69 4.836 0.975 -8.796 1.00 0.00 C ATOM 1020 O GLY A 69 5.189 0.605 -9.916 1.00 0.00 O ATOM 0 H GLY A 69 5.227 1.951 -6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.171 2.956 -8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.760 2.889 -9.062 1.00 0.00 H new ATOM 1024 N GLY A 70 4.209 0.165 -7.938 1.00 0.00 N ATOM 1025 CA GLY A 70 3.919 -1.207 -8.311 1.00 0.00 C ATOM 1026 C GLY A 70 2.434 -1.466 -8.470 1.00 0.00 C ATOM 1027 O GLY A 70 1.764 -0.825 -9.278 1.00 0.00 O ATOM 0 H GLY A 70 3.902 0.434 -7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.427 -1.440 -9.247 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.322 -1.879 -7.553 1.00 0.00 H new ATOM 1031 N LEU A 71 1.923 -2.409 -7.689 1.00 0.00 N ATOM 1032 CA LEU A 71 0.510 -2.762 -7.723 1.00 0.00 C ATOM 1033 C LEU A 71 0.116 -3.421 -6.412 1.00 0.00 C ATOM 1034 O LEU A 71 -0.572 -4.439 -6.389 1.00 0.00 O ATOM 1035 CB LEU A 71 0.213 -3.701 -8.898 1.00 0.00 C ATOM 1036 CG LEU A 71 -1.253 -4.124 -9.041 1.00 0.00 C ATOM 1037 CD1 LEU A 71 -2.186 -2.951 -8.770 1.00 0.00 C ATOM 1038 CD2 LEU A 71 -1.506 -4.695 -10.428 1.00 0.00 C ATOM 0 H LEU A 71 2.472 -2.947 -7.019 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.075 -1.852 -7.859 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.525 -3.212 -9.821 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.824 -4.597 -8.790 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.458 -4.898 -8.302 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.221 -3.277 -8.878 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.025 -2.584 -7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.981 -2.151 -9.482 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.551 -4.991 -10.514 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.280 -3.939 -11.180 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.868 -5.565 -10.585 1.00 0.00 H new ATOM 1050 N ILE A 72 0.579 -2.826 -5.320 1.00 0.00 N ATOM 1051 CA ILE A 72 0.311 -3.331 -3.981 1.00 0.00 C ATOM 1052 C ILE A 72 -1.136 -3.825 -3.830 1.00 0.00 C ATOM 1053 O ILE A 72 -1.396 -5.024 -3.926 1.00 0.00 O ATOM 1054 CB ILE A 72 0.667 -2.249 -2.925 1.00 0.00 C ATOM 1055 CG1 ILE A 72 2.147 -2.363 -2.569 1.00 0.00 C ATOM 1056 CG2 ILE A 72 -0.184 -2.357 -1.656 1.00 0.00 C ATOM 1057 CD1 ILE A 72 2.680 -1.170 -1.817 1.00 0.00 C ATOM 0 H ILE A 72 1.150 -1.981 -5.338 1.00 0.00 H new ATOM 0 HA ILE A 72 0.947 -4.200 -3.811 1.00 0.00 H new ATOM 0 HB ILE A 72 0.453 -1.276 -3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.300 -3.259 -1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.724 -2.492 -3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.109 -1.576 -0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.237 -2.238 -1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.030 -3.334 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.737 -1.321 -1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.560 -0.273 -2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.129 -1.052 -0.884 1.00 0.00 H new ATOM 1069 N VAL A 73 -2.070 -2.913 -3.580 1.00 0.00 N ATOM 1070 CA VAL A 73 -3.466 -3.300 -3.401 1.00 0.00 C ATOM 1071 C VAL A 73 -4.416 -2.440 -4.228 1.00 0.00 C ATOM 1072 O VAL A 73 -4.208 -1.241 -4.392 1.00 0.00 O ATOM 1073 CB VAL A 73 -3.885 -3.214 -1.921 1.00 0.00 C ATOM 1074 CG1 VAL A 73 -2.977 -4.073 -1.055 1.00 0.00 C ATOM 1075 CG2 VAL A 73 -3.878 -1.769 -1.446 1.00 0.00 C ATOM 0 H VAL A 73 -1.890 -1.912 -3.497 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.538 -4.332 -3.746 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.901 -3.597 -1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.290 -3.998 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.041 -5.112 -1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.948 -3.726 -1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.177 -1.729 -0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.875 -1.356 -1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.577 -1.186 -2.045 1.00 0.00 H new ATOM 1085 N VAL A 74 -5.469 -3.072 -4.731 1.00 0.00 N ATOM 1086 CA VAL A 74 -6.477 -2.390 -5.532 1.00 0.00 C ATOM 1087 C VAL A 74 -7.770 -2.246 -4.737 1.00 0.00 C ATOM 1088 O VAL A 74 -8.154 -3.156 -4.005 1.00 0.00 O ATOM 1089 CB VAL A 74 -6.761 -3.170 -6.830 1.00 0.00 C ATOM 1090 CG1 VAL A 74 -7.812 -2.464 -7.675 1.00 0.00 C ATOM 1091 CG2 VAL A 74 -5.476 -3.372 -7.621 1.00 0.00 C ATOM 0 H VAL A 74 -5.648 -4.067 -4.596 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.095 -1.402 -5.789 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.156 -4.149 -6.559 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.992 -3.037 -8.585 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.739 -2.382 -7.108 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.458 -1.467 -7.938 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.694 -3.925 -8.535 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.050 -2.402 -7.877 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.763 -3.934 -7.019 1.00 0.00 H new ATOM 1101 N VAL A 75 -8.430 -1.098 -4.865 1.00 0.00 N ATOM 1102 CA VAL A 75 -9.668 -0.854 -4.133 1.00 0.00 C ATOM 1103 C VAL A 75 -10.809 -0.441 -5.055 1.00 0.00 C ATOM 1104 O VAL A 75 -10.597 -0.108 -6.222 1.00 0.00 O ATOM 1105 CB VAL A 75 -9.483 0.227 -3.051 1.00 0.00 C ATOM 1106 CG1 VAL A 75 -9.071 -0.405 -1.731 1.00 0.00 C ATOM 1107 CG2 VAL A 75 -8.467 1.272 -3.490 1.00 0.00 C ATOM 0 H VAL A 75 -8.131 -0.328 -5.464 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.927 -1.800 -3.658 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.439 0.730 -2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.945 0.373 -0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.842 -1.103 -1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.130 -0.939 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.356 2.023 -2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.506 0.791 -3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.811 1.751 -4.407 1.00 0.00 H new ATOM 1117 N GLU A 76 -12.024 -0.471 -4.513 1.00 0.00 N ATOM 1118 CA GLU A 76 -13.217 -0.107 -5.268 1.00 0.00 C ATOM 1119 C GLU A 76 -13.317 1.406 -5.440 1.00 0.00 C ATOM 1120 O GLU A 76 -13.696 1.894 -6.505 1.00 0.00 O ATOM 1121 CB GLU A 76 -14.469 -0.637 -4.563 1.00 0.00 C ATOM 1122 CG GLU A 76 -15.485 -1.254 -5.511 1.00 0.00 C ATOM 1123 CD GLU A 76 -16.424 -2.216 -4.812 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -15.948 -2.999 -3.963 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -17.635 -2.187 -5.113 1.00 0.00 O ATOM 0 H GLU A 76 -12.207 -0.746 -3.548 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.143 -0.559 -6.257 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.172 -1.383 -3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.942 0.180 -4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.067 -0.461 -5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -14.960 -1.779 -6.309 1.00 0.00 H new ATOM 1132 N ALA A 77 -12.963 2.142 -4.390 1.00 0.00 N ATOM 1133 CA ALA A 77 -13.002 3.596 -4.425 1.00 0.00 C ATOM 1134 C ALA A 77 -14.404 4.125 -4.711 1.00 0.00 C ATOM 1135 O ALA A 77 -15.083 3.660 -5.626 1.00 0.00 O ATOM 1136 CB ALA A 77 -12.023 4.105 -5.458 1.00 0.00 C ATOM 0 H ALA A 77 -12.645 1.751 -3.503 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.717 3.964 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.054 5.194 -5.483 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.017 3.776 -5.199 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.292 3.712 -6.439 1.00 0.00 H new ATOM 1142 N GLU A 78 -14.827 5.105 -3.914 1.00 0.00 N ATOM 1143 CA GLU A 78 -16.146 5.722 -4.058 1.00 0.00 C ATOM 1144 C GLU A 78 -17.219 4.692 -4.408 1.00 0.00 C ATOM 1145 O GLU A 78 -18.189 5.004 -5.098 1.00 0.00 O ATOM 1146 CB GLU A 78 -16.101 6.816 -5.123 1.00 0.00 C ATOM 1147 CG GLU A 78 -15.876 6.288 -6.530 1.00 0.00 C ATOM 1148 CD GLU A 78 -15.663 7.396 -7.544 1.00 0.00 C ATOM 1149 OE1 GLU A 78 -15.286 8.513 -7.131 1.00 0.00 O ATOM 1150 OE2 GLU A 78 -15.872 7.146 -8.749 1.00 0.00 O ATOM 0 H GLU A 78 -14.269 5.493 -3.154 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.411 6.163 -3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -17.037 7.373 -5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.305 7.519 -4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.009 5.628 -6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.734 5.687 -6.830 1.00 0.00 H new ATOM 1157 N GLY A 79 -17.039 3.465 -3.925 1.00 0.00 N ATOM 1158 CA GLY A 79 -18.000 2.406 -4.195 1.00 0.00 C ATOM 1159 C GLY A 79 -18.475 2.395 -5.636 1.00 0.00 C ATOM 1160 O GLY A 79 -19.507 2.983 -5.960 1.00 0.00 O ATOM 0 H GLY A 79 -16.244 3.184 -3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -17.548 1.443 -3.959 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -18.859 2.525 -3.535 1.00 0.00 H new ATOM 1164 N THR A 80 -17.720 1.726 -6.502 1.00 0.00 N ATOM 1165 CA THR A 80 -18.069 1.643 -7.916 1.00 0.00 C ATOM 1166 C THR A 80 -19.460 1.042 -8.097 1.00 0.00 C ATOM 1167 O THR A 80 -19.604 -0.162 -8.308 1.00 0.00 O ATOM 1168 CB THR A 80 -17.036 0.804 -8.670 1.00 0.00 C ATOM 1169 OG1 THR A 80 -17.205 -0.574 -8.389 1.00 0.00 O ATOM 1170 CG2 THR A 80 -15.607 1.170 -8.331 1.00 0.00 C ATOM 0 H THR A 80 -16.863 1.234 -6.249 1.00 0.00 H new ATOM 0 HA THR A 80 -18.073 2.654 -8.324 1.00 0.00 H new ATOM 0 HB THR A 80 -17.208 1.014 -9.726 1.00 0.00 H new ATOM 0 HG1 THR A 80 -18.121 -0.843 -8.611 1.00 0.00 H new ATOM 0 HG21 THR A 80 -14.925 0.538 -8.900 1.00 0.00 H new ATOM 0 HG22 THR A 80 -15.429 2.215 -8.584 1.00 0.00 H new ATOM 0 HG23 THR A 80 -15.436 1.021 -7.265 1.00 0.00 H new ATOM 1178 N ALA A 81 -20.480 1.890 -8.015 1.00 0.00 N ATOM 1179 CA ALA A 81 -21.859 1.445 -8.170 1.00 0.00 C ATOM 1180 C ALA A 81 -22.150 0.237 -7.285 1.00 0.00 C ATOM 1181 O ALA A 81 -21.280 -0.115 -6.461 1.00 0.00 O ATOM 1182 CB ALA A 81 -22.145 1.117 -9.627 1.00 0.00 C ATOM 1183 OXT ALA A 81 -23.246 -0.347 -7.424 1.00 0.00 O ATOM 0 H ALA A 81 -20.377 2.890 -7.842 1.00 0.00 H new ATOM 0 HA ALA A 81 -22.515 2.257 -7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -23.178 0.786 -9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -21.987 2.006 -10.238 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -21.475 0.324 -9.960 1.00 0.00 H new TER 1189 ALA A 81