USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 594 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 Single : A 3 THR OG1 : rot 180:sc= -0.0244 USER MOD Single : A 4 GLN : amide:sc= -0.58 K(o=-0.58,f=-1.7!) USER MOD Single : A 16 ASN : amide:sc= -10.2! C(o=-10!,f=-8.5!) USER MOD Single : A 27 LYS NZ :NH3+ 145:sc= -0.0801 (180deg=-0.465) USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 1.45 (180deg=1.35) USER MOD Single : A 31 SER OG : rot 180:sc= -1.1 USER MOD Single : A 33 THR OG1 : rot 43:sc= 1.2 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.336 USER MOD Single : A 43 MET CE :methyl 161:sc= -5.21! (180deg=-6.56!) USER MOD Single : A 57 LYS NZ :NH3+ 138:sc= 1.17 (180deg=0.631) USER MOD Single : A 64 LYS NZ :NH3+ 157:sc= -0.0545 (180deg=-0.445) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 67 LYS NZ :NH3+ 160:sc= 0.584 (180deg=-0.491!) USER MOD Single : A 68 THR OG1 : rot -84:sc= 2.04 USER MOD Single : A 73 THR OG1 : rot 88:sc= 0.578 USER MOD Single : A 74 LYS NZ :NH3+ -157:sc= -0.185 (180deg=-0.816) USER MOD Single : A 75 TYR OH : rot 33:sc= 0.953 USER MOD Single : A 79 HIS : no HD1:sc= -0.0744 X(o=-0.074,f=0) USER MOD Single : A 80 GLN : amide:sc= -5.79! C(o=-5.8!,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 23 N THR A 3 10.530 -8.456 -0.295 1.00 0.54 N ATOM 24 CA THR A 3 9.960 -8.434 -1.608 1.00 0.48 C ATOM 25 C THR A 3 8.447 -8.212 -1.546 1.00 0.35 C ATOM 26 O THR A 3 7.861 -8.119 -0.453 1.00 0.35 O ATOM 27 CB THR A 3 10.294 -9.760 -2.390 1.00 0.59 C ATOM 28 OG1 THR A 3 9.816 -9.704 -3.737 1.00 0.66 O ATOM 29 CG2 THR A 3 9.700 -10.988 -1.693 1.00 0.66 C ATOM 0 HA THR A 3 10.404 -7.598 -2.149 1.00 0.48 H new ATOM 0 HB THR A 3 11.380 -9.852 -2.401 1.00 0.59 H new ATOM 0 HG1 THR A 3 10.039 -10.539 -4.198 1.00 0.66 H new ATOM 0 HG21 THR A 3 9.950 -11.885 -2.260 1.00 0.66 H new ATOM 0 HG22 THR A 3 10.110 -11.069 -0.686 1.00 0.66 H new ATOM 0 HG23 THR A 3 8.616 -10.885 -1.636 1.00 0.66 H new ATOM 37 N GLN A 4 7.833 -8.196 -2.718 1.00 0.32 N ATOM 38 CA GLN A 4 6.408 -8.023 -2.924 1.00 0.28 C ATOM 39 C GLN A 4 5.590 -9.065 -2.201 1.00 0.27 C ATOM 40 O GLN A 4 4.511 -8.762 -1.699 1.00 0.26 O ATOM 41 CB GLN A 4 6.091 -7.996 -4.439 1.00 0.33 C ATOM 42 CG GLN A 4 4.635 -8.282 -4.804 1.00 0.37 C ATOM 43 CD GLN A 4 4.361 -9.772 -5.007 1.00 0.39 C ATOM 44 OE1 GLN A 4 5.237 -10.515 -5.468 1.00 0.74 O ATOM 45 NE2 GLN A 4 3.207 -10.235 -4.600 1.00 0.48 N ATOM 0 H GLN A 4 8.343 -8.309 -3.594 1.00 0.32 H new ATOM 0 HA GLN A 4 6.123 -7.064 -2.491 1.00 0.28 H new ATOM 0 HB2 GLN A 4 6.362 -7.017 -4.833 1.00 0.33 H new ATOM 0 HB3 GLN A 4 6.725 -8.728 -4.940 1.00 0.33 H new ATOM 0 HG2 GLN A 4 3.985 -7.901 -4.016 1.00 0.37 H new ATOM 0 HG3 GLN A 4 4.380 -7.742 -5.716 1.00 0.37 H new ATOM 0 HE21 GLN A 4 2.505 -9.597 -4.225 1.00 0.48 H new ATOM 0 HE22 GLN A 4 3.009 -11.234 -4.658 1.00 0.48 H new ATOM 54 N GLU A 5 6.117 -10.272 -2.127 1.00 0.33 N ATOM 55 CA GLU A 5 5.420 -11.378 -1.490 1.00 0.40 C ATOM 56 C GLU A 5 5.187 -11.107 -0.009 1.00 0.39 C ATOM 57 O GLU A 5 4.270 -11.638 0.584 1.00 0.55 O ATOM 58 CB GLU A 5 6.164 -12.682 -1.735 1.00 0.57 C ATOM 59 CG GLU A 5 6.291 -12.990 -3.218 1.00 0.85 C ATOM 60 CD GLU A 5 6.949 -14.302 -3.506 1.00 1.88 C ATOM 61 OE1 GLU A 5 6.291 -15.351 -3.395 1.00 2.37 O ATOM 62 OE2 GLU A 5 8.165 -14.314 -3.792 1.00 2.66 O ATOM 0 H GLU A 5 7.033 -10.515 -2.503 1.00 0.33 H new ATOM 0 HA GLU A 5 4.433 -11.476 -1.942 1.00 0.40 H new ATOM 0 HB2 GLU A 5 7.157 -12.623 -1.290 1.00 0.57 H new ATOM 0 HB3 GLU A 5 5.640 -13.498 -1.238 1.00 0.57 H new ATOM 0 HG2 GLU A 5 5.298 -12.985 -3.667 1.00 0.85 H new ATOM 0 HG3 GLU A 5 6.861 -12.195 -3.698 1.00 0.85 H new ATOM 69 N GLU A 6 6.023 -10.255 0.556 1.00 0.36 N ATOM 70 CA GLU A 6 5.852 -9.790 1.908 1.00 0.42 C ATOM 71 C GLU A 6 4.943 -8.554 1.896 1.00 0.32 C ATOM 72 O GLU A 6 4.014 -8.446 2.689 1.00 0.37 O ATOM 73 CB GLU A 6 7.212 -9.418 2.517 1.00 0.55 C ATOM 74 CG GLU A 6 7.148 -8.877 3.952 1.00 0.82 C ATOM 75 CD GLU A 6 6.670 -9.889 4.968 1.00 1.75 C ATOM 76 OE1 GLU A 6 5.453 -10.024 5.150 1.00 2.73 O ATOM 77 OE2 GLU A 6 7.495 -10.575 5.588 1.00 2.05 O ATOM 0 H GLU A 6 6.840 -9.869 0.083 1.00 0.36 H new ATOM 0 HA GLU A 6 5.403 -10.581 2.508 1.00 0.42 H new ATOM 0 HB2 GLU A 6 7.853 -10.299 2.504 1.00 0.55 H new ATOM 0 HB3 GLU A 6 7.686 -8.669 1.882 1.00 0.55 H new ATOM 0 HG2 GLU A 6 8.138 -8.526 4.242 1.00 0.82 H new ATOM 0 HG3 GLU A 6 6.484 -8.013 3.975 1.00 0.82 H new ATOM 84 N ILE A 7 5.198 -7.639 0.942 1.00 0.21 N ATOM 85 CA ILE A 7 4.515 -6.370 0.902 1.00 0.16 C ATOM 86 C ILE A 7 3.033 -6.532 0.656 1.00 0.14 C ATOM 87 O ILE A 7 2.248 -6.217 1.502 1.00 0.18 O ATOM 88 CB ILE A 7 5.122 -5.516 -0.191 1.00 0.13 C ATOM 89 CG1 ILE A 7 6.591 -5.329 0.103 1.00 0.18 C ATOM 90 CG2 ILE A 7 4.415 -4.170 -0.257 1.00 0.17 C ATOM 91 CD1 ILE A 7 7.350 -4.735 -1.021 1.00 0.23 C ATOM 0 H ILE A 7 5.878 -7.773 0.194 1.00 0.21 H new ATOM 0 HA ILE A 7 4.635 -5.890 1.873 1.00 0.16 H new ATOM 0 HB ILE A 7 5.003 -6.007 -1.157 1.00 0.13 H new ATOM 0 HG12 ILE A 7 6.699 -4.691 0.980 1.00 0.18 H new ATOM 0 HG13 ILE A 7 7.028 -6.295 0.355 1.00 0.18 H new ATOM 0 HG21 ILE A 7 4.860 -3.564 -1.046 1.00 0.17 H new ATOM 0 HG22 ILE A 7 3.357 -4.325 -0.470 1.00 0.17 H new ATOM 0 HG23 ILE A 7 4.521 -3.656 0.698 1.00 0.17 H new ATOM 0 HD11 ILE A 7 8.397 -4.630 -0.738 1.00 0.23 H new ATOM 0 HD12 ILE A 7 7.273 -5.383 -1.894 1.00 0.23 H new ATOM 0 HD13 ILE A 7 6.939 -3.754 -1.259 1.00 0.23 H new ATOM 103 N VAL A 8 2.671 -7.024 -0.490 1.00 0.13 N ATOM 104 CA VAL A 8 1.269 -7.180 -0.855 1.00 0.15 C ATOM 105 C VAL A 8 0.514 -8.031 0.143 1.00 0.18 C ATOM 106 O VAL A 8 -0.604 -7.690 0.507 1.00 0.25 O ATOM 107 CB VAL A 8 1.110 -7.733 -2.283 1.00 0.18 C ATOM 108 CG1 VAL A 8 -0.345 -7.847 -2.676 1.00 0.27 C ATOM 109 CG2 VAL A 8 1.841 -6.855 -3.257 1.00 0.17 C ATOM 0 H VAL A 8 3.327 -7.332 -1.207 1.00 0.13 H new ATOM 0 HA VAL A 8 0.828 -6.183 -0.833 1.00 0.15 H new ATOM 0 HB VAL A 8 1.539 -8.735 -2.305 1.00 0.18 H new ATOM 0 HG11 VAL A 8 -0.418 -8.241 -3.690 1.00 0.27 H new ATOM 0 HG12 VAL A 8 -0.856 -8.520 -1.988 1.00 0.27 H new ATOM 0 HG13 VAL A 8 -0.811 -6.863 -2.634 1.00 0.27 H new ATOM 0 HG21 VAL A 8 1.724 -7.253 -4.265 1.00 0.17 H new ATOM 0 HG22 VAL A 8 1.431 -5.846 -3.216 1.00 0.17 H new ATOM 0 HG23 VAL A 8 2.900 -6.828 -2.999 1.00 0.17 H new ATOM 119 N ALA A 9 1.145 -9.074 0.632 1.00 0.18 N ATOM 120 CA ALA A 9 0.514 -9.939 1.599 1.00 0.22 C ATOM 121 C ALA A 9 0.219 -9.173 2.897 1.00 0.21 C ATOM 122 O ALA A 9 -0.825 -9.346 3.513 1.00 0.27 O ATOM 123 CB ALA A 9 1.387 -11.143 1.885 1.00 0.26 C ATOM 0 H ALA A 9 2.095 -9.343 0.375 1.00 0.18 H new ATOM 0 HA ALA A 9 -0.430 -10.288 1.181 1.00 0.22 H new ATOM 0 HB1 ALA A 9 0.895 -11.784 2.616 1.00 0.26 H new ATOM 0 HB2 ALA A 9 1.549 -11.702 0.963 1.00 0.26 H new ATOM 0 HB3 ALA A 9 2.347 -10.811 2.281 1.00 0.26 H new ATOM 129 N GLY A 10 1.124 -8.275 3.254 1.00 0.18 N ATOM 130 CA GLY A 10 0.999 -7.538 4.455 1.00 0.18 C ATOM 131 C GLY A 10 0.127 -6.353 4.315 1.00 0.15 C ATOM 132 O GLY A 10 -0.690 -6.067 5.183 1.00 0.16 O ATOM 0 H GLY A 10 1.955 -8.053 2.706 1.00 0.18 H new ATOM 0 HA2 GLY A 10 0.599 -8.187 5.234 1.00 0.18 H new ATOM 0 HA3 GLY A 10 1.988 -7.218 4.784 1.00 0.18 H new ATOM 136 N LEU A 11 0.273 -5.683 3.208 1.00 0.14 N ATOM 137 CA LEU A 11 -0.452 -4.501 2.906 1.00 0.13 C ATOM 138 C LEU A 11 -1.918 -4.855 2.785 1.00 0.14 C ATOM 139 O LEU A 11 -2.776 -4.098 3.209 1.00 0.16 O ATOM 140 CB LEU A 11 0.082 -3.926 1.607 1.00 0.13 C ATOM 141 CG LEU A 11 0.389 -2.433 1.585 1.00 0.15 C ATOM 142 CD1 LEU A 11 0.941 -2.047 0.232 1.00 0.18 C ATOM 143 CD2 LEU A 11 -0.844 -1.628 1.901 1.00 0.20 C ATOM 0 H LEU A 11 0.923 -5.961 2.473 1.00 0.14 H new ATOM 0 HA LEU A 11 -0.337 -3.754 3.691 1.00 0.13 H new ATOM 0 HB2 LEU A 11 0.995 -4.463 1.349 1.00 0.13 H new ATOM 0 HB3 LEU A 11 -0.644 -4.134 0.821 1.00 0.13 H new ATOM 0 HG LEU A 11 1.135 -2.217 2.350 1.00 0.15 H new ATOM 0 HD11 LEU A 11 1.159 -0.979 0.219 1.00 0.18 H new ATOM 0 HD12 LEU A 11 1.856 -2.607 0.039 1.00 0.18 H new ATOM 0 HD13 LEU A 11 0.206 -2.276 -0.540 1.00 0.18 H new ATOM 0 HD21 LEU A 11 -0.600 -0.566 1.879 1.00 0.20 H new ATOM 0 HD22 LEU A 11 -1.616 -1.838 1.160 1.00 0.20 H new ATOM 0 HD23 LEU A 11 -1.210 -1.896 2.892 1.00 0.20 H new ATOM 155 N ALA A 12 -2.185 -6.044 2.239 1.00 0.12 N ATOM 156 CA ALA A 12 -3.524 -6.568 2.150 1.00 0.13 C ATOM 157 C ALA A 12 -4.132 -6.620 3.524 1.00 0.11 C ATOM 158 O ALA A 12 -5.190 -6.054 3.740 1.00 0.13 O ATOM 159 CB ALA A 12 -3.514 -7.956 1.550 1.00 0.14 C ATOM 0 H ALA A 12 -1.471 -6.660 1.850 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.114 -5.915 1.507 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.535 -8.334 1.491 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.083 -7.917 0.549 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -2.917 -8.619 2.176 1.00 0.14 H new ATOM 165 N GLU A 13 -3.406 -7.235 4.459 1.00 0.12 N ATOM 166 CA GLU A 13 -3.854 -7.397 5.840 1.00 0.13 C ATOM 167 C GLU A 13 -4.149 -6.086 6.505 1.00 0.15 C ATOM 168 O GLU A 13 -5.170 -5.943 7.195 1.00 0.19 O ATOM 169 CB GLU A 13 -2.872 -8.205 6.646 1.00 0.18 C ATOM 170 CG GLU A 13 -2.705 -9.598 6.115 1.00 0.23 C ATOM 171 CD GLU A 13 -1.755 -10.422 6.938 1.00 0.36 C ATOM 172 OE1 GLU A 13 -0.531 -10.190 6.842 1.00 0.52 O ATOM 173 OE2 GLU A 13 -2.195 -11.312 7.700 1.00 0.68 O ATOM 0 H GLU A 13 -2.486 -7.636 4.277 1.00 0.12 H new ATOM 0 HA GLU A 13 -4.793 -7.950 5.799 1.00 0.13 H new ATOM 0 HB2 GLU A 13 -1.905 -7.701 6.647 1.00 0.18 H new ATOM 0 HB3 GLU A 13 -3.208 -8.252 7.682 1.00 0.18 H new ATOM 0 HG2 GLU A 13 -3.677 -10.091 6.087 1.00 0.23 H new ATOM 0 HG3 GLU A 13 -2.342 -9.550 5.088 1.00 0.23 H new ATOM 180 N ILE A 14 -3.294 -5.129 6.265 1.00 0.14 N ATOM 181 CA ILE A 14 -3.476 -3.778 6.775 1.00 0.17 C ATOM 182 C ILE A 14 -4.818 -3.210 6.274 1.00 0.18 C ATOM 183 O ILE A 14 -5.608 -2.678 7.039 1.00 0.22 O ATOM 184 CB ILE A 14 -2.305 -2.898 6.299 1.00 0.21 C ATOM 185 CG1 ILE A 14 -1.004 -3.446 6.878 1.00 0.21 C ATOM 186 CG2 ILE A 14 -2.512 -1.449 6.719 1.00 0.28 C ATOM 187 CD1 ILE A 14 0.236 -2.939 6.210 1.00 0.25 C ATOM 0 H ILE A 14 -2.447 -5.254 5.710 1.00 0.14 H new ATOM 0 HA ILE A 14 -3.492 -3.791 7.865 1.00 0.17 H new ATOM 0 HB ILE A 14 -2.256 -2.922 5.210 1.00 0.21 H new ATOM 0 HG12 ILE A 14 -0.959 -3.195 7.938 1.00 0.21 H new ATOM 0 HG13 ILE A 14 -1.020 -4.534 6.808 1.00 0.21 H new ATOM 0 HG21 ILE A 14 -1.673 -0.846 6.372 1.00 0.28 H new ATOM 0 HG22 ILE A 14 -3.436 -1.071 6.280 1.00 0.28 H new ATOM 0 HG23 ILE A 14 -2.576 -1.391 7.806 1.00 0.28 H new ATOM 0 HD11 ILE A 14 1.112 -3.380 6.686 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.219 -3.213 5.155 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.281 -1.854 6.302 1.00 0.25 H new ATOM 199 N VAL A 15 -5.102 -3.432 5.010 1.00 0.15 N ATOM 200 CA VAL A 15 -6.300 -2.917 4.363 1.00 0.17 C ATOM 201 C VAL A 15 -7.555 -3.613 4.912 1.00 0.18 C ATOM 202 O VAL A 15 -8.673 -3.063 4.895 1.00 0.22 O ATOM 203 CB VAL A 15 -6.201 -3.099 2.822 1.00 0.17 C ATOM 204 CG1 VAL A 15 -7.458 -2.694 2.127 1.00 0.27 C ATOM 205 CG2 VAL A 15 -5.063 -2.292 2.279 1.00 0.23 C ATOM 0 H VAL A 15 -4.505 -3.980 4.391 1.00 0.15 H new ATOM 0 HA VAL A 15 -6.381 -1.852 4.581 1.00 0.17 H new ATOM 0 HB VAL A 15 -6.034 -4.160 2.636 1.00 0.17 H new ATOM 0 HG11 VAL A 15 -7.342 -2.838 1.053 1.00 0.27 H new ATOM 0 HG12 VAL A 15 -8.286 -3.304 2.488 1.00 0.27 H new ATOM 0 HG13 VAL A 15 -7.665 -1.644 2.332 1.00 0.27 H new ATOM 0 HG21 VAL A 15 -5.004 -2.427 1.199 1.00 0.23 H new ATOM 0 HG22 VAL A 15 -5.224 -1.238 2.504 1.00 0.23 H new ATOM 0 HG23 VAL A 15 -4.131 -2.622 2.738 1.00 0.23 H new ATOM 215 N ASN A 16 -7.359 -4.794 5.432 1.00 0.16 N ATOM 216 CA ASN A 16 -8.456 -5.579 5.999 1.00 0.20 C ATOM 217 C ASN A 16 -8.826 -4.982 7.335 1.00 0.25 C ATOM 218 O ASN A 16 -9.997 -4.806 7.654 1.00 0.34 O ATOM 219 CB ASN A 16 -8.058 -7.050 6.232 1.00 0.20 C ATOM 220 CG ASN A 16 -7.337 -7.708 5.101 1.00 0.19 C ATOM 221 OD1 ASN A 16 -6.530 -8.591 5.312 1.00 0.21 O ATOM 222 ND2 ASN A 16 -7.627 -7.322 3.910 1.00 0.27 N ATOM 0 H ASN A 16 -6.447 -5.249 5.482 1.00 0.16 H new ATOM 0 HA ASN A 16 -9.286 -5.555 5.293 1.00 0.20 H new ATOM 0 HB2 ASN A 16 -7.428 -7.102 7.120 1.00 0.20 H new ATOM 0 HB3 ASN A 16 -8.960 -7.623 6.447 1.00 0.20 H new ATOM 0 HD21 ASN A 16 -7.175 -7.760 3.108 1.00 0.27 H new ATOM 0 HD22 ASN A 16 -8.309 -6.578 3.767 1.00 0.27 H new ATOM 229 N GLU A 17 -7.804 -4.636 8.088 1.00 0.26 N ATOM 230 CA GLU A 17 -7.955 -4.086 9.417 1.00 0.35 C ATOM 231 C GLU A 17 -8.411 -2.629 9.375 1.00 0.38 C ATOM 232 O GLU A 17 -9.251 -2.218 10.174 1.00 0.47 O ATOM 233 CB GLU A 17 -6.640 -4.215 10.171 1.00 0.41 C ATOM 234 CG GLU A 17 -6.189 -5.652 10.355 1.00 0.46 C ATOM 235 CD GLU A 17 -4.837 -5.750 10.996 1.00 1.22 C ATOM 236 OE1 GLU A 17 -4.728 -5.522 12.208 1.00 1.35 O ATOM 237 OE2 GLU A 17 -3.862 -6.077 10.294 1.00 2.07 O ATOM 0 H GLU A 17 -6.833 -4.730 7.790 1.00 0.26 H new ATOM 0 HA GLU A 17 -8.729 -4.650 9.937 1.00 0.35 H new ATOM 0 HB2 GLU A 17 -5.867 -3.665 9.634 1.00 0.41 H new ATOM 0 HB3 GLU A 17 -6.743 -3.746 11.150 1.00 0.41 H new ATOM 0 HG2 GLU A 17 -6.918 -6.183 10.968 1.00 0.46 H new ATOM 0 HG3 GLU A 17 -6.165 -6.149 9.385 1.00 0.46 H new ATOM 244 N ILE A 18 -7.851 -1.857 8.458 1.00 0.32 N ATOM 245 CA ILE A 18 -8.204 -0.444 8.314 1.00 0.38 C ATOM 246 C ILE A 18 -9.631 -0.285 7.744 1.00 0.39 C ATOM 247 O ILE A 18 -10.470 0.397 8.337 1.00 0.43 O ATOM 248 CB ILE A 18 -7.189 0.269 7.373 1.00 0.45 C ATOM 249 CG1 ILE A 18 -5.755 0.230 7.957 1.00 0.47 C ATOM 250 CG2 ILE A 18 -7.614 1.704 7.094 1.00 0.65 C ATOM 251 CD1 ILE A 18 -5.530 1.064 9.203 1.00 0.58 C ATOM 0 H ILE A 18 -7.146 -2.182 7.797 1.00 0.32 H new ATOM 0 HA ILE A 18 -8.169 0.013 9.303 1.00 0.38 H new ATOM 0 HB ILE A 18 -7.183 -0.275 6.428 1.00 0.45 H new ATOM 0 HG12 ILE A 18 -5.503 -0.806 8.185 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -5.060 0.565 7.187 1.00 0.47 H new ATOM 0 HG21 ILE A 18 -6.887 2.177 6.434 1.00 0.65 H new ATOM 0 HG22 ILE A 18 -8.593 1.707 6.616 1.00 0.65 H new ATOM 0 HG23 ILE A 18 -7.667 2.257 8.032 1.00 0.65 H new ATOM 0 HD11 ILE A 18 -4.494 0.964 9.526 1.00 0.58 H new ATOM 0 HD12 ILE A 18 -5.742 2.110 8.984 1.00 0.58 H new ATOM 0 HD13 ILE A 18 -6.192 0.718 9.997 1.00 0.58 H new ATOM 263 N ALA A 19 -9.910 -0.920 6.622 1.00 0.39 N ATOM 264 CA ALA A 19 -11.221 -0.800 6.008 1.00 0.44 C ATOM 265 C ALA A 19 -12.020 -2.072 6.204 1.00 0.41 C ATOM 266 O ALA A 19 -12.828 -2.180 7.134 1.00 0.54 O ATOM 267 CB ALA A 19 -11.109 -0.453 4.527 1.00 0.48 C ATOM 0 H ALA A 19 -9.255 -1.519 6.120 1.00 0.39 H new ATOM 0 HA ALA A 19 -11.748 0.017 6.501 1.00 0.44 H new ATOM 0 HB1 ALA A 19 -12.107 -0.370 4.096 1.00 0.48 H new ATOM 0 HB2 ALA A 19 -10.585 0.496 4.414 1.00 0.48 H new ATOM 0 HB3 ALA A 19 -10.555 -1.237 4.011 1.00 0.48 H new ATOM 273 N GLY A 20 -11.774 -3.037 5.357 1.00 0.34 N ATOM 274 CA GLY A 20 -12.456 -4.307 5.471 1.00 0.33 C ATOM 275 C GLY A 20 -12.335 -5.134 4.228 1.00 0.32 C ATOM 276 O GLY A 20 -13.298 -5.722 3.768 1.00 0.43 O ATOM 0 H GLY A 20 -11.112 -2.973 4.584 1.00 0.34 H new ATOM 0 HA2 GLY A 20 -12.046 -4.862 6.315 1.00 0.33 H new ATOM 0 HA3 GLY A 20 -13.510 -4.132 5.687 1.00 0.33 H new ATOM 280 N ILE A 21 -11.148 -5.180 3.682 1.00 0.27 N ATOM 281 CA ILE A 21 -10.897 -5.971 2.490 1.00 0.26 C ATOM 282 C ILE A 21 -10.705 -7.436 2.871 1.00 0.25 C ATOM 283 O ILE A 21 -10.293 -7.725 3.969 1.00 0.24 O ATOM 284 CB ILE A 21 -9.692 -5.382 1.657 1.00 0.25 C ATOM 285 CG1 ILE A 21 -10.185 -4.336 0.634 1.00 0.26 C ATOM 286 CG2 ILE A 21 -8.788 -6.437 0.995 1.00 0.31 C ATOM 287 CD1 ILE A 21 -10.920 -3.150 1.234 1.00 0.29 C ATOM 0 H ILE A 21 -10.334 -4.680 4.039 1.00 0.27 H new ATOM 0 HA ILE A 21 -11.765 -5.920 1.832 1.00 0.26 H new ATOM 0 HB ILE A 21 -9.051 -4.889 2.388 1.00 0.25 H new ATOM 0 HG12 ILE A 21 -9.327 -3.967 0.072 1.00 0.26 H new ATOM 0 HG13 ILE A 21 -10.844 -4.830 -0.080 1.00 0.26 H new ATOM 0 HG21 ILE A 21 -7.989 -5.939 0.446 1.00 0.31 H new ATOM 0 HG22 ILE A 21 -8.355 -7.078 1.763 1.00 0.31 H new ATOM 0 HG23 ILE A 21 -9.379 -7.042 0.307 1.00 0.31 H new ATOM 0 HD11 ILE A 21 -11.227 -2.471 0.438 1.00 0.29 H new ATOM 0 HD12 ILE A 21 -11.801 -3.502 1.771 1.00 0.29 H new ATOM 0 HD13 ILE A 21 -10.260 -2.625 1.925 1.00 0.29 H new ATOM 299 N PRO A 22 -11.039 -8.367 1.987 1.00 0.29 N ATOM 300 CA PRO A 22 -10.911 -9.810 2.250 1.00 0.35 C ATOM 301 C PRO A 22 -9.518 -10.385 1.932 1.00 0.45 C ATOM 302 O PRO A 22 -9.415 -11.530 1.513 1.00 1.08 O ATOM 303 CB PRO A 22 -11.912 -10.410 1.262 1.00 0.37 C ATOM 304 CG PRO A 22 -12.632 -9.255 0.653 1.00 0.44 C ATOM 305 CD PRO A 22 -11.681 -8.135 0.697 1.00 0.34 C ATOM 0 HA PRO A 22 -11.078 -10.029 3.305 1.00 0.35 H new ATOM 0 HB2 PRO A 22 -11.402 -10.998 0.499 1.00 0.37 H new ATOM 0 HB3 PRO A 22 -12.607 -11.079 1.769 1.00 0.37 H new ATOM 0 HG2 PRO A 22 -12.932 -9.475 -0.371 1.00 0.44 H new ATOM 0 HG3 PRO A 22 -13.540 -9.021 1.208 1.00 0.44 H new ATOM 0 HD2 PRO A 22 -10.970 -8.165 -0.129 1.00 0.34 H new ATOM 0 HD3 PRO A 22 -12.181 -7.167 0.653 1.00 0.34 H new ATOM 313 N VAL A 23 -8.474 -9.581 2.132 1.00 0.39 N ATOM 314 CA VAL A 23 -7.014 -9.909 1.906 1.00 0.32 C ATOM 315 C VAL A 23 -6.621 -10.386 0.466 1.00 0.42 C ATOM 316 O VAL A 23 -5.487 -10.217 0.037 1.00 0.81 O ATOM 317 CB VAL A 23 -6.387 -10.841 3.033 1.00 0.31 C ATOM 318 CG1 VAL A 23 -6.870 -12.284 2.973 1.00 0.41 C ATOM 319 CG2 VAL A 23 -4.869 -10.778 3.054 1.00 0.33 C ATOM 0 H VAL A 23 -8.600 -8.628 2.473 1.00 0.39 H new ATOM 0 HA VAL A 23 -6.548 -8.928 1.995 1.00 0.32 H new ATOM 0 HB VAL A 23 -6.756 -10.431 3.973 1.00 0.31 H new ATOM 0 HG11 VAL A 23 -6.400 -12.858 3.771 1.00 0.41 H new ATOM 0 HG12 VAL A 23 -7.953 -12.311 3.096 1.00 0.41 H new ATOM 0 HG13 VAL A 23 -6.603 -12.717 2.009 1.00 0.41 H new ATOM 0 HG21 VAL A 23 -4.489 -11.431 3.840 1.00 0.33 H new ATOM 0 HG22 VAL A 23 -4.478 -11.104 2.090 1.00 0.33 H new ATOM 0 HG23 VAL A 23 -4.550 -9.754 3.247 1.00 0.33 H new ATOM 329 N GLU A 24 -7.570 -10.845 -0.288 1.00 0.33 N ATOM 330 CA GLU A 24 -7.309 -11.424 -1.600 1.00 0.40 C ATOM 331 C GLU A 24 -7.481 -10.420 -2.723 1.00 0.34 C ATOM 332 O GLU A 24 -7.031 -10.646 -3.832 1.00 0.44 O ATOM 333 CB GLU A 24 -8.231 -12.622 -1.825 1.00 0.57 C ATOM 334 CG GLU A 24 -9.717 -12.290 -1.716 1.00 1.36 C ATOM 335 CD GLU A 24 -10.585 -13.479 -1.963 1.00 1.86 C ATOM 336 OE1 GLU A 24 -10.772 -14.283 -1.039 1.00 2.31 O ATOM 337 OE2 GLU A 24 -11.100 -13.632 -3.080 1.00 2.20 O ATOM 0 H GLU A 24 -8.555 -10.836 -0.025 1.00 0.33 H new ATOM 0 HA GLU A 24 -6.267 -11.744 -1.614 1.00 0.40 H new ATOM 0 HB2 GLU A 24 -8.034 -13.039 -2.813 1.00 0.57 H new ATOM 0 HB3 GLU A 24 -7.988 -13.396 -1.098 1.00 0.57 H new ATOM 0 HG2 GLU A 24 -9.926 -11.891 -0.723 1.00 1.36 H new ATOM 0 HG3 GLU A 24 -9.965 -11.507 -2.433 1.00 1.36 H new ATOM 344 N ASP A 25 -8.095 -9.299 -2.421 1.00 0.28 N ATOM 345 CA ASP A 25 -8.412 -8.310 -3.460 1.00 0.29 C ATOM 346 C ASP A 25 -7.222 -7.420 -3.705 1.00 0.25 C ATOM 347 O ASP A 25 -6.999 -6.922 -4.817 1.00 0.28 O ATOM 348 CB ASP A 25 -9.628 -7.483 -3.042 1.00 0.35 C ATOM 349 CG ASP A 25 -10.083 -6.477 -4.080 1.00 0.94 C ATOM 350 OD1 ASP A 25 -9.908 -6.749 -5.272 1.00 1.59 O ATOM 351 OD2 ASP A 25 -10.556 -5.386 -3.718 1.00 1.57 O ATOM 0 H ASP A 25 -8.388 -9.039 -1.479 1.00 0.28 H new ATOM 0 HA ASP A 25 -8.651 -8.830 -4.388 1.00 0.29 H new ATOM 0 HB2 ASP A 25 -10.454 -8.159 -2.821 1.00 0.35 H new ATOM 0 HB3 ASP A 25 -9.393 -6.954 -2.118 1.00 0.35 H new ATOM 356 N VAL A 26 -6.431 -7.268 -2.668 1.00 0.23 N ATOM 357 CA VAL A 26 -5.238 -6.427 -2.712 1.00 0.22 C ATOM 358 C VAL A 26 -4.162 -7.132 -3.527 1.00 0.25 C ATOM 359 O VAL A 26 -3.482 -8.026 -3.029 1.00 0.30 O ATOM 360 CB VAL A 26 -4.691 -6.140 -1.286 1.00 0.23 C ATOM 361 CG1 VAL A 26 -3.547 -5.131 -1.321 1.00 0.24 C ATOM 362 CG2 VAL A 26 -5.786 -5.646 -0.377 1.00 0.27 C ATOM 0 H VAL A 26 -6.589 -7.720 -1.767 1.00 0.23 H new ATOM 0 HA VAL A 26 -5.507 -5.476 -3.171 1.00 0.22 H new ATOM 0 HB VAL A 26 -4.306 -7.081 -0.892 1.00 0.23 H new ATOM 0 HG11 VAL A 26 -3.188 -4.953 -0.307 1.00 0.24 H new ATOM 0 HG12 VAL A 26 -2.733 -5.524 -1.930 1.00 0.24 H new ATOM 0 HG13 VAL A 26 -3.901 -4.194 -1.750 1.00 0.24 H new ATOM 0 HG21 VAL A 26 -5.376 -5.453 0.614 1.00 0.27 H new ATOM 0 HG22 VAL A 26 -6.207 -4.725 -0.781 1.00 0.27 H new ATOM 0 HG23 VAL A 26 -6.568 -6.402 -0.305 1.00 0.27 H new ATOM 372 N LYS A 27 -4.118 -6.812 -4.793 1.00 0.28 N ATOM 373 CA LYS A 27 -3.148 -7.346 -5.717 1.00 0.35 C ATOM 374 C LYS A 27 -2.579 -6.205 -6.448 1.00 0.37 C ATOM 375 O LYS A 27 -3.254 -5.198 -6.599 1.00 0.72 O ATOM 376 CB LYS A 27 -3.822 -8.247 -6.738 1.00 0.40 C ATOM 377 CG LYS A 27 -4.480 -9.448 -6.149 1.00 0.83 C ATOM 378 CD LYS A 27 -3.470 -10.434 -5.595 1.00 1.13 C ATOM 379 CE LYS A 27 -4.163 -11.615 -4.949 1.00 1.15 C ATOM 380 NZ LYS A 27 -5.117 -12.262 -5.870 1.00 1.58 N ATOM 0 H LYS A 27 -4.771 -6.157 -5.223 1.00 0.28 H new ATOM 0 HA LYS A 27 -2.396 -7.917 -5.172 1.00 0.35 H new ATOM 0 HB2 LYS A 27 -4.568 -7.667 -7.282 1.00 0.40 H new ATOM 0 HB3 LYS A 27 -3.079 -8.573 -7.466 1.00 0.40 H new ATOM 0 HG2 LYS A 27 -5.157 -9.137 -5.353 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -5.086 -9.939 -6.910 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -2.820 -10.783 -6.397 1.00 1.13 H new ATOM 0 HD3 LYS A 27 -2.834 -9.936 -4.863 1.00 1.13 H new ATOM 0 HE2 LYS A 27 -3.418 -12.343 -4.628 1.00 1.15 H new ATOM 0 HE3 LYS A 27 -4.690 -11.282 -4.055 1.00 1.15 H new ATOM 0 HZ1 LYS A 27 -5.121 -13.288 -5.701 1.00 1.58 H new ATOM 0 HZ2 LYS A 27 -6.070 -11.880 -5.707 1.00 1.58 H new ATOM 0 HZ3 LYS A 27 -4.833 -12.074 -6.853 1.00 1.58 H new ATOM 394 N LEU A 28 -1.368 -6.333 -6.890 1.00 0.24 N ATOM 395 CA LEU A 28 -0.709 -5.304 -7.673 1.00 0.22 C ATOM 396 C LEU A 28 -1.625 -4.871 -8.826 1.00 0.23 C ATOM 397 O LEU A 28 -2.368 -5.700 -9.379 1.00 0.31 O ATOM 398 CB LEU A 28 0.604 -5.829 -8.277 1.00 0.27 C ATOM 399 CG LEU A 28 1.640 -6.428 -7.334 1.00 0.43 C ATOM 400 CD1 LEU A 28 2.757 -7.075 -8.136 1.00 1.05 C ATOM 401 CD2 LEU A 28 2.214 -5.367 -6.450 1.00 1.05 C ATOM 0 H LEU A 28 -0.793 -7.158 -6.723 1.00 0.24 H new ATOM 0 HA LEU A 28 -0.494 -4.464 -7.012 1.00 0.22 H new ATOM 0 HB2 LEU A 28 0.350 -6.587 -9.018 1.00 0.27 H new ATOM 0 HB3 LEU A 28 1.077 -5.006 -8.812 1.00 0.27 H new ATOM 0 HG LEU A 28 1.152 -7.181 -6.716 1.00 0.43 H new ATOM 0 HD11 LEU A 28 3.494 -7.501 -7.455 1.00 1.05 H new ATOM 0 HD12 LEU A 28 2.344 -7.864 -8.764 1.00 1.05 H new ATOM 0 HD13 LEU A 28 3.235 -6.324 -8.765 1.00 1.05 H new ATOM 0 HD21 LEU A 28 2.952 -5.810 -5.782 1.00 1.05 H new ATOM 0 HD22 LEU A 28 2.691 -4.602 -7.062 1.00 1.05 H new ATOM 0 HD23 LEU A 28 1.417 -4.914 -5.860 1.00 1.05 H new ATOM 413 N ASP A 29 -1.582 -3.576 -9.131 1.00 0.24 N ATOM 414 CA ASP A 29 -2.374 -2.931 -10.205 1.00 0.31 C ATOM 415 C ASP A 29 -3.800 -2.594 -9.719 1.00 0.28 C ATOM 416 O ASP A 29 -4.616 -2.072 -10.455 1.00 0.38 O ATOM 417 CB ASP A 29 -2.364 -3.774 -11.514 1.00 0.42 C ATOM 418 CG ASP A 29 -2.902 -3.049 -12.722 1.00 0.60 C ATOM 419 OD1 ASP A 29 -2.188 -2.175 -13.260 1.00 0.72 O ATOM 420 OD2 ASP A 29 -4.020 -3.371 -13.179 1.00 0.70 O ATOM 0 H ASP A 29 -0.983 -2.919 -8.631 1.00 0.24 H new ATOM 0 HA ASP A 29 -1.896 -1.984 -10.453 1.00 0.31 H new ATOM 0 HB2 ASP A 29 -1.342 -4.091 -11.720 1.00 0.42 H new ATOM 0 HB3 ASP A 29 -2.952 -4.678 -11.355 1.00 0.42 H new ATOM 425 N LYS A 30 -4.059 -2.830 -8.430 1.00 0.19 N ATOM 426 CA LYS A 30 -5.352 -2.505 -7.830 1.00 0.20 C ATOM 427 C LYS A 30 -5.211 -1.273 -7.024 1.00 0.20 C ATOM 428 O LYS A 30 -4.303 -1.165 -6.212 1.00 0.24 O ATOM 429 CB LYS A 30 -5.865 -3.536 -6.841 1.00 0.28 C ATOM 430 CG LYS A 30 -6.258 -4.903 -7.347 1.00 0.36 C ATOM 431 CD LYS A 30 -7.529 -4.868 -8.152 1.00 0.45 C ATOM 432 CE LYS A 30 -7.969 -6.271 -8.524 1.00 0.79 C ATOM 433 NZ LYS A 30 -8.322 -7.106 -7.335 1.00 1.48 N ATOM 0 H LYS A 30 -3.389 -3.245 -7.783 1.00 0.19 H new ATOM 0 HA LYS A 30 -6.040 -2.432 -8.672 1.00 0.20 H new ATOM 0 HB2 LYS A 30 -5.096 -3.675 -6.082 1.00 0.28 H new ATOM 0 HB3 LYS A 30 -6.734 -3.108 -6.340 1.00 0.28 H new ATOM 0 HG2 LYS A 30 -5.453 -5.307 -7.960 1.00 0.36 H new ATOM 0 HG3 LYS A 30 -6.384 -5.579 -6.501 1.00 0.36 H new ATOM 0 HD2 LYS A 30 -8.315 -4.376 -7.579 1.00 0.45 H new ATOM 0 HD3 LYS A 30 -7.376 -4.278 -9.056 1.00 0.45 H new ATOM 0 HE2 LYS A 30 -8.831 -6.212 -9.188 1.00 0.79 H new ATOM 0 HE3 LYS A 30 -7.170 -6.761 -9.081 1.00 0.79 H new ATOM 0 HZ1 LYS A 30 -8.647 -8.042 -7.652 1.00 1.48 H new ATOM 0 HZ2 LYS A 30 -7.485 -7.218 -6.728 1.00 1.48 H new ATOM 0 HZ3 LYS A 30 -9.080 -6.640 -6.796 1.00 1.48 H new ATOM 447 N SER A 31 -6.093 -0.410 -7.204 1.00 0.20 N ATOM 448 CA SER A 31 -6.150 0.812 -6.469 1.00 0.34 C ATOM 449 C SER A 31 -6.917 0.596 -5.178 1.00 0.53 C ATOM 450 O SER A 31 -8.053 0.215 -5.191 1.00 1.25 O ATOM 451 CB SER A 31 -6.799 1.896 -7.305 1.00 0.36 C ATOM 452 OG SER A 31 -5.988 2.282 -8.397 1.00 0.86 O ATOM 0 H SER A 31 -6.841 -0.511 -7.890 1.00 0.20 H new ATOM 0 HA SER A 31 -5.137 1.133 -6.224 1.00 0.34 H new ATOM 0 HB2 SER A 31 -7.760 1.541 -7.676 1.00 0.36 H new ATOM 0 HB3 SER A 31 -7.000 2.765 -6.678 1.00 0.36 H new ATOM 0 HG SER A 31 -6.443 2.981 -8.911 1.00 0.86 H new ATOM 458 N PHE A 32 -6.257 0.770 -4.102 1.00 0.29 N ATOM 459 CA PHE A 32 -6.794 0.651 -2.771 1.00 0.28 C ATOM 460 C PHE A 32 -8.164 1.360 -2.571 1.00 0.26 C ATOM 461 O PHE A 32 -9.169 0.706 -2.383 1.00 0.40 O ATOM 462 CB PHE A 32 -5.806 1.190 -1.783 1.00 0.40 C ATOM 463 CG PHE A 32 -4.480 0.516 -1.703 1.00 0.35 C ATOM 464 CD1 PHE A 32 -3.436 0.932 -2.495 1.00 0.35 C ATOM 465 CD2 PHE A 32 -4.286 -0.557 -0.864 1.00 0.38 C ATOM 466 CE1 PHE A 32 -2.232 0.302 -2.450 1.00 0.34 C ATOM 467 CE2 PHE A 32 -3.078 -1.192 -0.816 1.00 0.40 C ATOM 468 CZ PHE A 32 -2.019 -0.691 -1.495 1.00 0.36 C ATOM 0 H PHE A 32 -5.267 1.015 -4.107 1.00 0.29 H new ATOM 0 HA PHE A 32 -6.974 -0.412 -2.610 1.00 0.28 H new ATOM 0 HB2 PHE A 32 -5.636 2.241 -2.016 1.00 0.40 H new ATOM 0 HB3 PHE A 32 -6.263 1.152 -0.794 1.00 0.40 H new ATOM 0 HD1 PHE A 32 -3.574 1.770 -3.162 1.00 0.35 H new ATOM 0 HD2 PHE A 32 -5.096 -0.900 -0.238 1.00 0.38 H new ATOM 0 HE1 PHE A 32 -1.450 0.568 -3.146 1.00 0.34 H new ATOM 0 HE2 PHE A 32 -2.967 -2.096 -0.235 1.00 0.40 H new ATOM 0 HZ PHE A 32 -1.022 -1.056 -1.299 1.00 0.36 H new ATOM 478 N THR A 33 -8.218 2.665 -2.627 1.00 0.28 N ATOM 479 CA THR A 33 -9.491 3.339 -2.368 1.00 0.36 C ATOM 480 C THR A 33 -10.494 3.137 -3.525 1.00 0.45 C ATOM 481 O THR A 33 -11.702 3.101 -3.313 1.00 1.06 O ATOM 482 CB THR A 33 -9.325 4.863 -2.047 1.00 0.61 C ATOM 483 OG1 THR A 33 -10.565 5.421 -1.598 1.00 1.01 O ATOM 484 CG2 THR A 33 -8.877 5.633 -3.263 1.00 0.78 C ATOM 0 H THR A 33 -7.431 3.278 -2.841 1.00 0.28 H new ATOM 0 HA THR A 33 -9.896 2.866 -1.474 1.00 0.36 H new ATOM 0 HB THR A 33 -8.570 4.944 -1.265 1.00 0.61 H new ATOM 0 HG1 THR A 33 -10.992 4.804 -0.967 1.00 1.01 H new ATOM 0 HG21 THR A 33 -8.771 6.687 -3.007 1.00 0.78 H new ATOM 0 HG22 THR A 33 -7.918 5.245 -3.607 1.00 0.78 H new ATOM 0 HG23 THR A 33 -9.617 5.524 -4.056 1.00 0.78 H new ATOM 492 N ASP A 34 -9.973 2.905 -4.702 1.00 0.32 N ATOM 493 CA ASP A 34 -10.780 2.832 -5.913 1.00 0.34 C ATOM 494 C ASP A 34 -11.302 1.421 -6.135 1.00 0.35 C ATOM 495 O ASP A 34 -12.497 1.166 -6.072 1.00 0.50 O ATOM 496 CB ASP A 34 -9.928 3.242 -7.109 1.00 0.38 C ATOM 497 CG ASP A 34 -9.252 4.584 -6.947 1.00 0.96 C ATOM 498 OD1 ASP A 34 -9.832 5.607 -7.334 1.00 1.04 O ATOM 499 OD2 ASP A 34 -8.107 4.617 -6.446 1.00 1.74 O ATOM 0 H ASP A 34 -8.976 2.760 -4.858 1.00 0.32 H new ATOM 0 HA ASP A 34 -11.630 3.505 -5.803 1.00 0.34 H new ATOM 0 HB2 ASP A 34 -9.167 2.481 -7.279 1.00 0.38 H new ATOM 0 HB3 ASP A 34 -10.557 3.268 -7.999 1.00 0.38 H new ATOM 504 N ASP A 35 -10.382 0.511 -6.354 1.00 0.30 N ATOM 505 CA ASP A 35 -10.679 -0.892 -6.636 1.00 0.32 C ATOM 506 C ASP A 35 -11.112 -1.592 -5.394 1.00 0.35 C ATOM 507 O ASP A 35 -12.210 -2.131 -5.324 1.00 0.52 O ATOM 508 CB ASP A 35 -9.421 -1.629 -7.157 1.00 0.31 C ATOM 509 CG ASP A 35 -9.121 -1.455 -8.613 1.00 0.81 C ATOM 510 OD1 ASP A 35 -9.746 -2.141 -9.441 1.00 1.29 O ATOM 511 OD2 ASP A 35 -8.307 -0.588 -8.969 1.00 1.10 O ATOM 0 H ASP A 35 -9.384 0.720 -6.343 1.00 0.30 H new ATOM 0 HA ASP A 35 -11.469 -0.907 -7.387 1.00 0.32 H new ATOM 0 HB2 ASP A 35 -8.559 -1.287 -6.584 1.00 0.31 H new ATOM 0 HB3 ASP A 35 -9.536 -2.694 -6.954 1.00 0.31 H new ATOM 516 N LEU A 36 -10.249 -1.553 -4.405 1.00 0.30 N ATOM 517 CA LEU A 36 -10.430 -2.309 -3.181 1.00 0.33 C ATOM 518 C LEU A 36 -11.594 -1.780 -2.383 1.00 0.39 C ATOM 519 O LEU A 36 -12.319 -2.560 -1.739 1.00 0.81 O ATOM 520 CB LEU A 36 -9.195 -2.225 -2.313 1.00 0.33 C ATOM 521 CG LEU A 36 -7.854 -2.523 -2.919 1.00 0.33 C ATOM 522 CD1 LEU A 36 -6.881 -2.644 -1.805 1.00 0.36 C ATOM 523 CD2 LEU A 36 -7.866 -3.763 -3.764 1.00 0.36 C ATOM 0 H LEU A 36 -9.396 -0.994 -4.424 1.00 0.30 H new ATOM 0 HA LEU A 36 -10.619 -3.343 -3.470 1.00 0.33 H new ATOM 0 HB2 LEU A 36 -9.152 -1.217 -1.900 1.00 0.33 H new ATOM 0 HB3 LEU A 36 -9.336 -2.908 -1.475 1.00 0.33 H new ATOM 0 HG LEU A 36 -7.574 -1.714 -3.593 1.00 0.33 H new ATOM 0 HD11 LEU A 36 -5.892 -2.861 -2.208 1.00 0.36 H new ATOM 0 HD12 LEU A 36 -6.848 -1.708 -1.247 1.00 0.36 H new ATOM 0 HD13 LEU A 36 -7.187 -3.452 -1.140 1.00 0.36 H new ATOM 0 HD21 LEU A 36 -6.872 -3.931 -4.177 1.00 0.36 H new ATOM 0 HD22 LEU A 36 -8.154 -4.618 -3.152 1.00 0.36 H new ATOM 0 HD23 LEU A 36 -8.581 -3.642 -4.578 1.00 0.36 H new ATOM 535 N ASP A 37 -11.726 -0.449 -2.392 1.00 0.35 N ATOM 536 CA ASP A 37 -12.773 0.274 -1.706 1.00 0.45 C ATOM 537 C ASP A 37 -12.394 0.461 -0.266 1.00 0.39 C ATOM 538 O ASP A 37 -12.894 -0.182 0.656 1.00 0.87 O ATOM 539 CB ASP A 37 -14.164 -0.333 -1.899 1.00 0.79 C ATOM 540 CG ASP A 37 -15.258 0.373 -1.115 1.00 0.90 C ATOM 541 OD1 ASP A 37 -15.548 1.563 -1.416 1.00 1.12 O ATOM 542 OD2 ASP A 37 -15.832 -0.235 -0.170 1.00 0.99 O ATOM 0 H ASP A 37 -11.082 0.162 -2.895 1.00 0.35 H new ATOM 0 HA ASP A 37 -12.859 1.259 -2.164 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -14.417 -0.308 -2.959 1.00 0.79 H new ATOM 0 HB3 ASP A 37 -14.137 -1.381 -1.602 1.00 0.79 H new ATOM 547 N VAL A 38 -11.359 1.208 -0.124 1.00 0.38 N ATOM 548 CA VAL A 38 -10.867 1.631 1.165 1.00 0.37 C ATOM 549 C VAL A 38 -11.172 3.108 1.279 1.00 0.48 C ATOM 550 O VAL A 38 -11.390 3.757 0.257 1.00 0.79 O ATOM 551 CB VAL A 38 -9.323 1.422 1.270 1.00 0.40 C ATOM 552 CG1 VAL A 38 -8.795 1.679 2.678 1.00 0.50 C ATOM 553 CG2 VAL A 38 -8.939 0.042 0.805 1.00 0.43 C ATOM 0 H VAL A 38 -10.809 1.557 -0.909 1.00 0.38 H new ATOM 0 HA VAL A 38 -11.338 1.050 1.958 1.00 0.37 H new ATOM 0 HB VAL A 38 -8.858 2.158 0.614 1.00 0.40 H new ATOM 0 HG11 VAL A 38 -7.717 1.520 2.697 1.00 0.50 H new ATOM 0 HG12 VAL A 38 -9.015 2.707 2.967 1.00 0.50 H new ATOM 0 HG13 VAL A 38 -9.275 0.994 3.377 1.00 0.50 H new ATOM 0 HG21 VAL A 38 -7.859 -0.082 0.887 1.00 0.43 H new ATOM 0 HG22 VAL A 38 -9.438 -0.703 1.425 1.00 0.43 H new ATOM 0 HG23 VAL A 38 -9.242 -0.089 -0.234 1.00 0.43 H new ATOM 563 N ASP A 39 -11.213 3.642 2.467 1.00 0.39 N ATOM 564 CA ASP A 39 -11.392 5.083 2.613 1.00 0.55 C ATOM 565 C ASP A 39 -10.096 5.761 2.253 1.00 0.67 C ATOM 566 O ASP A 39 -9.059 5.464 2.854 1.00 1.53 O ATOM 567 CB ASP A 39 -11.781 5.488 4.042 1.00 0.64 C ATOM 568 CG ASP A 39 -13.128 4.983 4.483 1.00 1.28 C ATOM 569 OD1 ASP A 39 -13.248 3.789 4.825 1.00 2.00 O ATOM 570 OD2 ASP A 39 -14.101 5.752 4.453 1.00 1.51 O ATOM 0 H ASP A 39 -11.128 3.124 3.342 1.00 0.39 H new ATOM 0 HA ASP A 39 -12.205 5.388 1.954 1.00 0.55 H new ATOM 0 HB2 ASP A 39 -11.023 5.117 4.732 1.00 0.64 H new ATOM 0 HB3 ASP A 39 -11.772 6.576 4.114 1.00 0.64 H new ATOM 575 N SER A 40 -10.135 6.619 1.248 1.00 0.45 N ATOM 576 CA SER A 40 -8.998 7.383 0.792 1.00 0.37 C ATOM 577 C SER A 40 -8.261 8.089 1.954 1.00 0.34 C ATOM 578 O SER A 40 -7.025 8.141 1.985 1.00 0.46 O ATOM 579 CB SER A 40 -9.456 8.368 -0.272 1.00 0.51 C ATOM 580 OG SER A 40 -9.909 9.631 0.290 1.00 0.78 O ATOM 0 H SER A 40 -10.985 6.805 0.715 1.00 0.45 H new ATOM 0 HA SER A 40 -8.270 6.699 0.355 1.00 0.37 H new ATOM 0 HB2 SER A 40 -8.635 8.557 -0.964 1.00 0.51 H new ATOM 0 HB3 SER A 40 -10.265 7.922 -0.851 1.00 0.51 H new ATOM 0 HG SER A 40 -10.191 10.229 -0.434 1.00 0.78 H new ATOM 585 N LEU A 41 -9.013 8.591 2.924 1.00 0.32 N ATOM 586 CA LEU A 41 -8.414 9.260 4.067 1.00 0.36 C ATOM 587 C LEU A 41 -7.678 8.269 5.005 1.00 0.33 C ATOM 588 O LEU A 41 -6.687 8.626 5.658 1.00 0.41 O ATOM 589 CB LEU A 41 -9.448 10.157 4.813 1.00 0.51 C ATOM 590 CG LEU A 41 -10.754 9.510 5.351 1.00 0.65 C ATOM 591 CD1 LEU A 41 -10.523 8.661 6.594 1.00 1.15 C ATOM 592 CD2 LEU A 41 -11.793 10.574 5.629 1.00 1.18 C ATOM 0 H LEU A 41 -10.032 8.548 2.941 1.00 0.32 H new ATOM 0 HA LEU A 41 -7.644 9.931 3.686 1.00 0.36 H new ATOM 0 HB2 LEU A 41 -8.936 10.617 5.658 1.00 0.51 H new ATOM 0 HB3 LEU A 41 -9.734 10.963 4.137 1.00 0.51 H new ATOM 0 HG LEU A 41 -11.118 8.840 4.572 1.00 0.65 H new ATOM 0 HD11 LEU A 41 -11.470 8.235 6.925 1.00 1.15 H new ATOM 0 HD12 LEU A 41 -9.825 7.857 6.361 1.00 1.15 H new ATOM 0 HD13 LEU A 41 -10.108 9.283 7.387 1.00 1.15 H new ATOM 0 HD21 LEU A 41 -12.702 10.105 6.005 1.00 1.18 H new ATOM 0 HD22 LEU A 41 -11.409 11.271 6.374 1.00 1.18 H new ATOM 0 HD23 LEU A 41 -12.017 11.113 4.709 1.00 1.18 H new ATOM 604 N SER A 42 -8.139 7.023 5.026 1.00 0.31 N ATOM 605 CA SER A 42 -7.548 5.972 5.846 1.00 0.33 C ATOM 606 C SER A 42 -6.333 5.382 5.150 1.00 0.27 C ATOM 607 O SER A 42 -5.522 4.700 5.755 1.00 0.26 O ATOM 608 CB SER A 42 -8.561 4.866 6.075 1.00 0.45 C ATOM 609 OG SER A 42 -9.724 5.351 6.715 1.00 0.60 O ATOM 0 H SER A 42 -8.937 6.712 4.472 1.00 0.31 H new ATOM 0 HA SER A 42 -7.248 6.407 6.799 1.00 0.33 H new ATOM 0 HB2 SER A 42 -8.831 4.416 5.120 1.00 0.45 H new ATOM 0 HB3 SER A 42 -8.112 4.080 6.682 1.00 0.45 H new ATOM 0 HG SER A 42 -10.357 4.614 6.846 1.00 0.60 H new ATOM 615 N MET A 43 -6.226 5.658 3.876 1.00 0.27 N ATOM 616 CA MET A 43 -5.155 5.172 3.051 1.00 0.31 C ATOM 617 C MET A 43 -3.830 5.608 3.558 1.00 0.25 C ATOM 618 O MET A 43 -2.903 4.838 3.533 1.00 0.28 O ATOM 619 CB MET A 43 -5.337 5.615 1.615 1.00 0.46 C ATOM 620 CG MET A 43 -6.518 5.010 0.913 1.00 0.73 C ATOM 621 SD MET A 43 -6.243 3.381 0.226 1.00 0.86 S ATOM 622 CE MET A 43 -5.461 2.425 1.527 1.00 0.40 C ATOM 0 H MET A 43 -6.897 6.240 3.374 1.00 0.27 H new ATOM 0 HA MET A 43 -5.187 4.083 3.090 1.00 0.31 H new ATOM 0 HB2 MET A 43 -5.437 6.700 1.595 1.00 0.46 H new ATOM 0 HB3 MET A 43 -4.434 5.368 1.056 1.00 0.46 H new ATOM 0 HG2 MET A 43 -7.349 4.955 1.616 1.00 0.73 H new ATOM 0 HG3 MET A 43 -6.824 5.679 0.109 1.00 0.73 H new ATOM 0 HE1 MET A 43 -5.568 1.362 1.312 1.00 0.40 H new ATOM 0 HE2 MET A 43 -4.402 2.679 1.579 1.00 0.40 H new ATOM 0 HE3 MET A 43 -5.936 2.652 2.481 1.00 0.40 H new ATOM 632 N VAL A 44 -3.767 6.830 4.067 1.00 0.22 N ATOM 633 CA VAL A 44 -2.533 7.386 4.594 1.00 0.22 C ATOM 634 C VAL A 44 -1.977 6.452 5.696 1.00 0.21 C ATOM 635 O VAL A 44 -0.788 6.106 5.693 1.00 0.26 O ATOM 636 CB VAL A 44 -2.770 8.800 5.190 1.00 0.25 C ATOM 637 CG1 VAL A 44 -1.467 9.403 5.703 1.00 0.31 C ATOM 638 CG2 VAL A 44 -3.399 9.716 4.157 1.00 0.30 C ATOM 0 H VAL A 44 -4.567 7.460 4.125 1.00 0.22 H new ATOM 0 HA VAL A 44 -1.816 7.470 3.777 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.455 8.698 6.032 1.00 0.25 H new ATOM 0 HG11 VAL A 44 -1.662 10.393 6.115 1.00 0.31 H new ATOM 0 HG12 VAL A 44 -1.051 8.762 6.480 1.00 0.31 H new ATOM 0 HG13 VAL A 44 -0.756 9.485 4.881 1.00 0.31 H new ATOM 0 HG21 VAL A 44 -3.557 10.702 4.593 1.00 0.30 H new ATOM 0 HG22 VAL A 44 -2.736 9.802 3.296 1.00 0.30 H new ATOM 0 HG23 VAL A 44 -4.356 9.302 3.838 1.00 0.30 H new ATOM 648 N GLU A 45 -2.877 6.014 6.596 1.00 0.19 N ATOM 649 CA GLU A 45 -2.538 5.111 7.710 1.00 0.18 C ATOM 650 C GLU A 45 -1.924 3.847 7.139 1.00 0.20 C ATOM 651 O GLU A 45 -0.862 3.423 7.541 1.00 0.25 O ATOM 652 CB GLU A 45 -3.800 4.661 8.452 1.00 0.17 C ATOM 653 CG GLU A 45 -4.870 5.708 8.661 1.00 0.29 C ATOM 654 CD GLU A 45 -4.443 6.885 9.481 1.00 0.46 C ATOM 655 OE1 GLU A 45 -4.515 6.817 10.723 1.00 0.68 O ATOM 656 OE2 GLU A 45 -3.989 7.879 8.910 1.00 0.58 O ATOM 0 H GLU A 45 -3.862 6.277 6.570 1.00 0.19 H new ATOM 0 HA GLU A 45 -1.865 5.644 8.382 1.00 0.18 H new ATOM 0 HB2 GLU A 45 -4.240 3.829 7.903 1.00 0.17 H new ATOM 0 HB3 GLU A 45 -3.503 4.277 9.428 1.00 0.17 H new ATOM 0 HG2 GLU A 45 -5.206 6.064 7.687 1.00 0.29 H new ATOM 0 HG3 GLU A 45 -5.728 5.239 9.142 1.00 0.29 H new ATOM 663 N VAL A 46 -2.624 3.291 6.154 1.00 0.19 N ATOM 664 CA VAL A 46 -2.268 2.050 5.471 1.00 0.22 C ATOM 665 C VAL A 46 -0.864 2.129 4.843 1.00 0.20 C ATOM 666 O VAL A 46 -0.149 1.143 4.774 1.00 0.23 O ATOM 667 CB VAL A 46 -3.302 1.748 4.347 1.00 0.31 C ATOM 668 CG1 VAL A 46 -3.012 0.447 3.639 1.00 0.53 C ATOM 669 CG2 VAL A 46 -4.714 1.746 4.889 1.00 0.63 C ATOM 0 H VAL A 46 -3.484 3.706 5.797 1.00 0.19 H new ATOM 0 HA VAL A 46 -2.272 1.254 6.216 1.00 0.22 H new ATOM 0 HB VAL A 46 -3.209 2.550 3.615 1.00 0.31 H new ATOM 0 HG11 VAL A 46 -3.760 0.280 2.864 1.00 0.53 H new ATOM 0 HG12 VAL A 46 -2.022 0.493 3.184 1.00 0.53 H new ATOM 0 HG13 VAL A 46 -3.044 -0.373 4.357 1.00 0.53 H new ATOM 0 HG21 VAL A 46 -5.414 1.532 4.081 1.00 0.63 H new ATOM 0 HG22 VAL A 46 -4.806 0.982 5.661 1.00 0.63 H new ATOM 0 HG23 VAL A 46 -4.941 2.723 5.317 1.00 0.63 H new ATOM 679 N VAL A 47 -0.469 3.317 4.457 1.00 0.17 N ATOM 680 CA VAL A 47 0.810 3.524 3.777 1.00 0.18 C ATOM 681 C VAL A 47 1.896 3.468 4.796 1.00 0.19 C ATOM 682 O VAL A 47 2.890 2.761 4.630 1.00 0.21 O ATOM 683 CB VAL A 47 0.892 4.892 3.072 1.00 0.22 C ATOM 684 CG1 VAL A 47 2.175 4.996 2.278 1.00 0.55 C ATOM 685 CG2 VAL A 47 -0.281 5.115 2.171 1.00 0.54 C ATOM 0 H VAL A 47 -1.012 4.169 4.598 1.00 0.17 H new ATOM 0 HA VAL A 47 0.911 2.747 3.019 1.00 0.18 H new ATOM 0 HB VAL A 47 0.879 5.663 3.843 1.00 0.22 H new ATOM 0 HG11 VAL A 47 2.220 5.967 1.785 1.00 0.55 H new ATOM 0 HG12 VAL A 47 3.028 4.890 2.949 1.00 0.55 H new ATOM 0 HG13 VAL A 47 2.203 4.206 1.527 1.00 0.55 H new ATOM 0 HG21 VAL A 47 -0.191 6.089 1.690 1.00 0.54 H new ATOM 0 HG22 VAL A 47 -0.308 4.336 1.409 1.00 0.54 H new ATOM 0 HG23 VAL A 47 -1.200 5.083 2.756 1.00 0.54 H new ATOM 695 N VAL A 48 1.695 4.220 5.854 1.00 0.19 N ATOM 696 CA VAL A 48 2.623 4.251 6.946 1.00 0.23 C ATOM 697 C VAL A 48 2.702 2.856 7.564 1.00 0.23 C ATOM 698 O VAL A 48 3.771 2.396 7.929 1.00 0.35 O ATOM 699 CB VAL A 48 2.196 5.294 8.015 1.00 0.31 C ATOM 700 CG1 VAL A 48 3.198 5.352 9.154 1.00 0.42 C ATOM 701 CG2 VAL A 48 2.039 6.673 7.382 1.00 0.33 C ATOM 0 H VAL A 48 0.882 4.825 5.976 1.00 0.19 H new ATOM 0 HA VAL A 48 3.603 4.547 6.573 1.00 0.23 H new ATOM 0 HB VAL A 48 1.235 4.981 8.423 1.00 0.31 H new ATOM 0 HG11 VAL A 48 2.873 6.090 9.887 1.00 0.42 H new ATOM 0 HG12 VAL A 48 3.265 4.374 9.630 1.00 0.42 H new ATOM 0 HG13 VAL A 48 4.176 5.634 8.764 1.00 0.42 H new ATOM 0 HG21 VAL A 48 1.740 7.392 8.145 1.00 0.33 H new ATOM 0 HG22 VAL A 48 2.988 6.983 6.944 1.00 0.33 H new ATOM 0 HG23 VAL A 48 1.277 6.631 6.604 1.00 0.33 H new ATOM 711 N ALA A 49 1.567 2.157 7.587 1.00 0.18 N ATOM 712 CA ALA A 49 1.513 0.848 8.149 1.00 0.18 C ATOM 713 C ALA A 49 2.285 -0.120 7.277 1.00 0.17 C ATOM 714 O ALA A 49 2.934 -1.056 7.765 1.00 0.21 O ATOM 715 CB ALA A 49 0.081 0.394 8.338 1.00 0.20 C ATOM 0 H ALA A 49 0.679 2.496 7.216 1.00 0.18 H new ATOM 0 HA ALA A 49 1.977 0.872 9.135 1.00 0.18 H new ATOM 0 HB1 ALA A 49 0.071 -0.608 8.768 1.00 0.20 H new ATOM 0 HB2 ALA A 49 -0.433 1.082 9.009 1.00 0.20 H new ATOM 0 HB3 ALA A 49 -0.427 0.380 7.373 1.00 0.20 H new ATOM 721 N ALA A 50 2.214 0.121 5.978 1.00 0.16 N ATOM 722 CA ALA A 50 2.932 -0.649 5.015 1.00 0.18 C ATOM 723 C ALA A 50 4.431 -0.495 5.243 1.00 0.18 C ATOM 724 O ALA A 50 5.116 -1.475 5.530 1.00 0.21 O ATOM 725 CB ALA A 50 2.532 -0.248 3.578 1.00 0.18 C ATOM 0 H ALA A 50 1.647 0.867 5.574 1.00 0.16 H new ATOM 0 HA ALA A 50 2.673 -1.701 5.139 1.00 0.18 H new ATOM 0 HB1 ALA A 50 3.093 -0.849 2.863 1.00 0.18 H new ATOM 0 HB2 ALA A 50 1.465 -0.418 3.437 1.00 0.18 H new ATOM 0 HB3 ALA A 50 2.755 0.807 3.419 1.00 0.18 H new ATOM 731 N GLU A 51 4.930 0.727 5.191 1.00 0.18 N ATOM 732 CA GLU A 51 6.363 0.951 5.342 1.00 0.23 C ATOM 733 C GLU A 51 6.926 0.495 6.686 1.00 0.23 C ATOM 734 O GLU A 51 8.017 -0.089 6.729 1.00 0.30 O ATOM 735 CB GLU A 51 6.805 2.355 4.929 1.00 0.29 C ATOM 736 CG GLU A 51 6.003 3.486 5.471 1.00 0.31 C ATOM 737 CD GLU A 51 6.769 4.360 6.400 1.00 0.36 C ATOM 738 OE1 GLU A 51 7.036 3.971 7.538 1.00 0.51 O ATOM 739 OE2 GLU A 51 7.130 5.473 5.986 1.00 0.64 O ATOM 0 H GLU A 51 4.376 1.571 5.048 1.00 0.18 H new ATOM 0 HA GLU A 51 6.828 0.284 4.617 1.00 0.23 H new ATOM 0 HB2 GLU A 51 7.841 2.492 5.238 1.00 0.29 H new ATOM 0 HB3 GLU A 51 6.786 2.413 3.841 1.00 0.29 H new ATOM 0 HG2 GLU A 51 5.630 4.088 4.642 1.00 0.31 H new ATOM 0 HG3 GLU A 51 5.133 3.088 5.993 1.00 0.31 H new ATOM 746 N GLU A 52 6.155 0.677 7.750 1.00 0.22 N ATOM 747 CA GLU A 52 6.530 0.205 9.087 1.00 0.26 C ATOM 748 C GLU A 52 6.750 -1.304 9.103 1.00 0.24 C ATOM 749 O GLU A 52 7.658 -1.798 9.760 1.00 0.35 O ATOM 750 CB GLU A 52 5.461 0.593 10.117 1.00 0.33 C ATOM 751 CG GLU A 52 5.489 2.055 10.524 1.00 0.46 C ATOM 752 CD GLU A 52 6.580 2.380 11.523 1.00 1.20 C ATOM 753 OE1 GLU A 52 7.773 2.162 11.231 1.00 2.07 O ATOM 754 OE2 GLU A 52 6.251 2.854 12.656 1.00 1.50 O ATOM 0 H GLU A 52 5.254 1.154 7.717 1.00 0.22 H new ATOM 0 HA GLU A 52 7.470 0.688 9.354 1.00 0.26 H new ATOM 0 HB2 GLU A 52 4.478 0.360 9.708 1.00 0.33 H new ATOM 0 HB3 GLU A 52 5.590 -0.023 11.007 1.00 0.33 H new ATOM 0 HG2 GLU A 52 5.626 2.670 9.634 1.00 0.46 H new ATOM 0 HG3 GLU A 52 4.523 2.324 10.951 1.00 0.46 H new ATOM 761 N ARG A 53 5.937 -2.031 8.357 1.00 0.18 N ATOM 762 CA ARG A 53 6.057 -3.474 8.311 1.00 0.21 C ATOM 763 C ARG A 53 7.113 -3.936 7.281 1.00 0.24 C ATOM 764 O ARG A 53 7.860 -4.873 7.531 1.00 0.37 O ATOM 765 CB ARG A 53 4.684 -4.150 8.024 1.00 0.25 C ATOM 766 CG ARG A 53 4.765 -5.678 7.917 1.00 0.41 C ATOM 767 CD ARG A 53 3.432 -6.346 7.554 1.00 0.49 C ATOM 768 NE ARG A 53 3.658 -7.766 7.212 1.00 1.36 N ATOM 769 CZ ARG A 53 2.720 -8.700 6.992 1.00 1.55 C ATOM 770 NH1 ARG A 53 1.455 -8.527 7.400 1.00 1.19 N ATOM 771 NH2 ARG A 53 3.067 -9.824 6.380 1.00 2.48 N ATOM 0 H ARG A 53 5.191 -1.646 7.778 1.00 0.18 H new ATOM 0 HA ARG A 53 6.396 -3.791 9.297 1.00 0.21 H new ATOM 0 HB2 ARG A 53 3.985 -3.886 8.817 1.00 0.25 H new ATOM 0 HB3 ARG A 53 4.278 -3.750 7.095 1.00 0.25 H new ATOM 0 HG2 ARG A 53 5.509 -5.941 7.165 1.00 0.41 H new ATOM 0 HG3 ARG A 53 5.116 -6.081 8.867 1.00 0.41 H new ATOM 0 HD2 ARG A 53 2.738 -6.270 8.391 1.00 0.49 H new ATOM 0 HD3 ARG A 53 2.973 -5.828 6.711 1.00 0.49 H new ATOM 0 HE ARG A 53 4.629 -8.068 7.135 1.00 1.36 H new ATOM 0 HH11 ARG A 53 1.189 -7.672 7.888 1.00 1.19 H new ATOM 0 HH12 ARG A 53 0.758 -9.250 7.222 1.00 1.19 H new ATOM 0 HH21 ARG A 53 4.033 -9.967 6.085 1.00 2.48 H new ATOM 0 HH22 ARG A 53 2.368 -10.546 6.204 1.00 2.48 H new ATOM 785 N PHE A 54 7.199 -3.262 6.143 1.00 0.20 N ATOM 786 CA PHE A 54 8.035 -3.776 5.040 1.00 0.26 C ATOM 787 C PHE A 54 9.452 -3.246 5.032 1.00 0.37 C ATOM 788 O PHE A 54 10.280 -3.733 4.280 1.00 0.81 O ATOM 789 CB PHE A 54 7.373 -3.527 3.697 1.00 0.18 C ATOM 790 CG PHE A 54 5.966 -3.954 3.685 1.00 0.14 C ATOM 791 CD1 PHE A 54 5.617 -5.165 4.194 1.00 0.27 C ATOM 792 CD2 PHE A 54 4.998 -3.164 3.109 1.00 0.19 C ATOM 793 CE1 PHE A 54 4.332 -5.597 4.136 1.00 0.36 C ATOM 794 CE2 PHE A 54 3.715 -3.591 3.038 1.00 0.29 C ATOM 795 CZ PHE A 54 3.331 -4.676 3.774 1.00 0.33 C ATOM 0 H PHE A 54 6.720 -2.382 5.950 1.00 0.20 H new ATOM 0 HA PHE A 54 8.117 -4.848 5.218 1.00 0.26 H new ATOM 0 HB2 PHE A 54 7.431 -2.466 3.456 1.00 0.18 H new ATOM 0 HB3 PHE A 54 7.920 -4.061 2.920 1.00 0.18 H new ATOM 0 HD1 PHE A 54 6.371 -5.790 4.650 1.00 0.27 H new ATOM 0 HD2 PHE A 54 5.263 -2.196 2.710 1.00 0.19 H new ATOM 0 HE1 PHE A 54 4.083 -6.623 4.362 1.00 0.36 H new ATOM 0 HE2 PHE A 54 3.003 -3.080 2.407 1.00 0.29 H new ATOM 0 HZ PHE A 54 2.301 -4.821 4.066 1.00 0.33 H new ATOM 805 N ASP A 55 9.698 -2.245 5.846 1.00 0.23 N ATOM 806 CA ASP A 55 11.055 -1.586 6.023 1.00 0.30 C ATOM 807 C ASP A 55 11.332 -0.478 5.066 1.00 0.21 C ATOM 808 O ASP A 55 12.430 0.080 5.060 1.00 0.44 O ATOM 809 CB ASP A 55 12.269 -2.532 6.022 1.00 0.60 C ATOM 810 CG ASP A 55 12.353 -3.400 7.223 1.00 1.22 C ATOM 811 OD1 ASP A 55 12.691 -2.900 8.310 1.00 1.56 O ATOM 812 OD2 ASP A 55 12.020 -4.589 7.121 1.00 1.99 O ATOM 0 H ASP A 55 8.975 -1.829 6.433 1.00 0.23 H new ATOM 0 HA ASP A 55 10.947 -1.182 7.030 1.00 0.30 H new ATOM 0 HB2 ASP A 55 12.227 -3.161 5.133 1.00 0.60 H new ATOM 0 HB3 ASP A 55 13.180 -1.938 5.950 1.00 0.60 H new ATOM 817 N VAL A 56 10.389 -0.134 4.256 1.00 0.17 N ATOM 818 CA VAL A 56 10.590 0.984 3.385 1.00 0.21 C ATOM 819 C VAL A 56 10.242 2.252 4.185 1.00 0.20 C ATOM 820 O VAL A 56 9.824 2.143 5.337 1.00 0.21 O ATOM 821 CB VAL A 56 9.723 0.849 2.095 1.00 0.27 C ATOM 822 CG1 VAL A 56 8.261 0.948 2.388 1.00 0.29 C ATOM 823 CG2 VAL A 56 10.117 1.809 1.007 1.00 0.37 C ATOM 0 H VAL A 56 9.484 -0.598 4.175 1.00 0.17 H new ATOM 0 HA VAL A 56 11.625 1.033 3.047 1.00 0.21 H new ATOM 0 HB VAL A 56 9.926 -0.153 1.716 1.00 0.27 H new ATOM 0 HG11 VAL A 56 7.697 0.849 1.461 1.00 0.29 H new ATOM 0 HG12 VAL A 56 7.973 0.153 3.075 1.00 0.29 H new ATOM 0 HG13 VAL A 56 8.046 1.915 2.842 1.00 0.29 H new ATOM 0 HG21 VAL A 56 9.473 1.660 0.140 1.00 0.37 H new ATOM 0 HG22 VAL A 56 10.009 2.832 1.368 1.00 0.37 H new ATOM 0 HG23 VAL A 56 11.154 1.632 0.724 1.00 0.37 H new ATOM 833 N LYS A 57 10.435 3.395 3.640 1.00 0.25 N ATOM 834 CA LYS A 57 9.992 4.583 4.271 1.00 0.25 C ATOM 835 C LYS A 57 9.272 5.356 3.224 1.00 0.22 C ATOM 836 O LYS A 57 9.841 5.636 2.171 1.00 0.28 O ATOM 837 CB LYS A 57 11.158 5.396 4.834 1.00 0.33 C ATOM 838 CG LYS A 57 10.714 6.359 5.909 1.00 0.44 C ATOM 839 CD LYS A 57 10.190 5.569 7.094 1.00 0.89 C ATOM 840 CE LYS A 57 9.510 6.430 8.121 1.00 1.46 C ATOM 841 NZ LYS A 57 8.322 7.131 7.586 1.00 2.12 N ATOM 0 H LYS A 57 10.904 3.535 2.745 1.00 0.25 H new ATOM 0 HA LYS A 57 9.349 4.352 5.120 1.00 0.25 H new ATOM 0 HB2 LYS A 57 11.908 4.718 5.242 1.00 0.33 H new ATOM 0 HB3 LYS A 57 11.636 5.951 4.026 1.00 0.33 H new ATOM 0 HG2 LYS A 57 11.548 6.990 6.216 1.00 0.44 H new ATOM 0 HG3 LYS A 57 9.938 7.021 5.525 1.00 0.44 H new ATOM 0 HD2 LYS A 57 9.488 4.815 6.739 1.00 0.89 H new ATOM 0 HD3 LYS A 57 11.018 5.038 7.564 1.00 0.89 H new ATOM 0 HE2 LYS A 57 9.211 5.811 8.967 1.00 1.46 H new ATOM 0 HE3 LYS A 57 10.220 7.165 8.500 1.00 1.46 H new ATOM 0 HZ1 LYS A 57 7.554 7.096 8.286 1.00 2.12 H new ATOM 0 HZ2 LYS A 57 8.564 8.123 7.387 1.00 2.12 H new ATOM 0 HZ3 LYS A 57 8.012 6.668 6.708 1.00 2.12 H new ATOM 855 N ILE A 58 8.042 5.671 3.456 1.00 0.20 N ATOM 856 CA ILE A 58 7.275 6.309 2.445 1.00 0.19 C ATOM 857 C ILE A 58 6.916 7.727 2.860 1.00 0.21 C ATOM 858 O ILE A 58 6.098 7.930 3.763 1.00 0.25 O ATOM 859 CB ILE A 58 5.997 5.506 2.067 1.00 0.19 C ATOM 860 CG1 ILE A 58 6.367 4.054 1.719 1.00 0.22 C ATOM 861 CG2 ILE A 58 5.327 6.157 0.862 1.00 0.20 C ATOM 862 CD1 ILE A 58 5.184 3.159 1.403 1.00 0.24 C ATOM 0 H ILE A 58 7.550 5.498 4.333 1.00 0.20 H new ATOM 0 HA ILE A 58 7.898 6.348 1.552 1.00 0.19 H new ATOM 0 HB ILE A 58 5.314 5.507 2.916 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.040 4.060 0.862 1.00 0.22 H new ATOM 0 HG13 ILE A 58 6.919 3.623 2.555 1.00 0.22 H new ATOM 0 HG21 ILE A 58 4.431 5.595 0.596 1.00 0.20 H new ATOM 0 HG22 ILE A 58 5.052 7.183 1.108 1.00 0.20 H new ATOM 0 HG23 ILE A 58 6.018 6.159 0.019 1.00 0.20 H new ATOM 0 HD11 ILE A 58 5.539 2.155 1.170 1.00 0.24 H new ATOM 0 HD12 ILE A 58 4.519 3.117 2.266 1.00 0.24 H new ATOM 0 HD13 ILE A 58 4.643 3.561 0.546 1.00 0.24 H new ATOM 874 N PRO A 59 7.562 8.735 2.238 1.00 0.23 N ATOM 875 CA PRO A 59 7.271 10.144 2.495 1.00 0.28 C ATOM 876 C PRO A 59 5.874 10.461 2.054 1.00 0.24 C ATOM 877 O PRO A 59 5.378 9.841 1.118 1.00 0.21 O ATOM 878 CB PRO A 59 8.237 10.884 1.569 1.00 0.33 C ATOM 879 CG PRO A 59 8.558 9.890 0.518 1.00 0.30 C ATOM 880 CD PRO A 59 8.614 8.582 1.227 1.00 0.25 C ATOM 0 HA PRO A 59 7.370 10.407 3.548 1.00 0.28 H new ATOM 0 HB2 PRO A 59 7.779 11.778 1.146 1.00 0.33 H new ATOM 0 HB3 PRO A 59 9.132 11.206 2.101 1.00 0.33 H new ATOM 0 HG2 PRO A 59 7.798 9.883 -0.263 1.00 0.30 H new ATOM 0 HG3 PRO A 59 9.509 10.118 0.036 1.00 0.30 H new ATOM 0 HD2 PRO A 59 8.416 7.746 0.556 1.00 0.25 H new ATOM 0 HD3 PRO A 59 9.590 8.404 1.678 1.00 0.25 H new ATOM 888 N ASP A 60 5.266 11.440 2.676 1.00 0.30 N ATOM 889 CA ASP A 60 3.897 11.872 2.367 1.00 0.34 C ATOM 890 C ASP A 60 3.738 12.174 0.884 1.00 0.31 C ATOM 891 O ASP A 60 2.682 11.925 0.295 1.00 0.36 O ATOM 892 CB ASP A 60 3.535 13.104 3.189 1.00 0.51 C ATOM 893 CG ASP A 60 3.583 12.841 4.670 1.00 1.25 C ATOM 894 OD1 ASP A 60 4.681 12.896 5.263 1.00 1.98 O ATOM 895 OD2 ASP A 60 2.526 12.586 5.276 1.00 1.92 O ATOM 0 H ASP A 60 5.702 11.977 3.425 1.00 0.30 H new ATOM 0 HA ASP A 60 3.221 11.057 2.625 1.00 0.34 H new ATOM 0 HB2 ASP A 60 4.221 13.915 2.944 1.00 0.51 H new ATOM 0 HB3 ASP A 60 2.535 13.439 2.915 1.00 0.51 H new ATOM 900 N ASP A 61 4.805 12.677 0.287 1.00 0.30 N ATOM 901 CA ASP A 61 4.852 12.960 -1.137 1.00 0.37 C ATOM 902 C ASP A 61 4.679 11.686 -1.974 1.00 0.33 C ATOM 903 O ASP A 61 3.937 11.674 -2.949 1.00 0.46 O ATOM 904 CB ASP A 61 6.160 13.654 -1.500 1.00 0.50 C ATOM 905 CG ASP A 61 6.300 13.914 -2.986 1.00 1.16 C ATOM 906 OD1 ASP A 61 5.770 14.928 -3.472 1.00 1.16 O ATOM 907 OD2 ASP A 61 6.917 13.090 -3.699 1.00 2.06 O ATOM 0 H ASP A 61 5.669 12.902 0.780 1.00 0.30 H new ATOM 0 HA ASP A 61 4.020 13.625 -1.367 1.00 0.37 H new ATOM 0 HB2 ASP A 61 6.224 14.601 -0.964 1.00 0.50 H new ATOM 0 HB3 ASP A 61 6.996 13.040 -1.164 1.00 0.50 H new ATOM 912 N ASP A 62 5.347 10.620 -1.578 1.00 0.25 N ATOM 913 CA ASP A 62 5.254 9.348 -2.301 1.00 0.25 C ATOM 914 C ASP A 62 4.087 8.508 -1.840 1.00 0.23 C ATOM 915 O ASP A 62 3.644 7.624 -2.553 1.00 0.28 O ATOM 916 CB ASP A 62 6.537 8.530 -2.266 1.00 0.26 C ATOM 917 CG ASP A 62 7.632 9.063 -3.163 1.00 0.36 C ATOM 918 OD1 ASP A 62 7.385 9.284 -4.359 1.00 0.52 O ATOM 919 OD2 ASP A 62 8.781 9.243 -2.686 1.00 0.44 O ATOM 0 H ASP A 62 5.960 10.600 -0.763 1.00 0.25 H new ATOM 0 HA ASP A 62 5.085 9.634 -3.339 1.00 0.25 H new ATOM 0 HB2 ASP A 62 6.906 8.496 -1.241 1.00 0.26 H new ATOM 0 HB3 ASP A 62 6.310 7.505 -2.557 1.00 0.26 H new ATOM 924 N VAL A 63 3.610 8.766 -0.632 1.00 0.22 N ATOM 925 CA VAL A 63 2.399 8.126 -0.089 1.00 0.26 C ATOM 926 C VAL A 63 1.264 8.335 -1.081 1.00 0.29 C ATOM 927 O VAL A 63 0.624 7.395 -1.530 1.00 0.38 O ATOM 928 CB VAL A 63 2.018 8.776 1.301 1.00 0.27 C ATOM 929 CG1 VAL A 63 0.655 8.358 1.770 1.00 0.31 C ATOM 930 CG2 VAL A 63 3.018 8.415 2.375 1.00 0.27 C ATOM 0 H VAL A 63 4.047 9.427 0.010 1.00 0.22 H new ATOM 0 HA VAL A 63 2.578 7.062 0.064 1.00 0.26 H new ATOM 0 HB VAL A 63 2.024 9.853 1.134 1.00 0.27 H new ATOM 0 HG11 VAL A 63 0.439 8.830 2.728 1.00 0.31 H new ATOM 0 HG12 VAL A 63 -0.092 8.665 1.038 1.00 0.31 H new ATOM 0 HG13 VAL A 63 0.626 7.274 1.885 1.00 0.31 H new ATOM 0 HG21 VAL A 63 2.724 8.879 3.316 1.00 0.27 H new ATOM 0 HG22 VAL A 63 3.046 7.332 2.497 1.00 0.27 H new ATOM 0 HG23 VAL A 63 4.006 8.773 2.087 1.00 0.27 H new ATOM 940 N LYS A 64 1.105 9.567 -1.468 1.00 0.27 N ATOM 941 CA LYS A 64 0.040 9.992 -2.364 1.00 0.34 C ATOM 942 C LYS A 64 0.383 9.668 -3.842 1.00 0.32 C ATOM 943 O LYS A 64 -0.402 9.922 -4.747 1.00 0.38 O ATOM 944 CB LYS A 64 -0.202 11.491 -2.159 1.00 0.44 C ATOM 945 CG LYS A 64 0.941 12.357 -2.629 1.00 0.83 C ATOM 946 CD LYS A 64 0.896 13.742 -2.036 1.00 0.73 C ATOM 947 CE LYS A 64 1.853 14.660 -2.760 1.00 1.59 C ATOM 948 NZ LYS A 64 1.425 14.931 -4.146 1.00 2.16 N ATOM 0 H LYS A 64 1.717 10.327 -1.171 1.00 0.27 H new ATOM 0 HA LYS A 64 -0.873 9.444 -2.131 1.00 0.34 H new ATOM 0 HB2 LYS A 64 -1.109 11.780 -2.691 1.00 0.44 H new ATOM 0 HB3 LYS A 64 -0.379 11.681 -1.100 1.00 0.44 H new ATOM 0 HG2 LYS A 64 1.886 11.882 -2.364 1.00 0.83 H new ATOM 0 HG3 LYS A 64 0.915 12.430 -3.716 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -0.117 14.139 -2.101 1.00 0.73 H new ATOM 0 HD3 LYS A 64 1.154 13.699 -0.978 1.00 0.73 H new ATOM 0 HE2 LYS A 64 1.933 15.601 -2.216 1.00 1.59 H new ATOM 0 HE3 LYS A 64 2.847 14.212 -2.769 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 1.849 15.823 -4.472 1.00 2.16 H new ATOM 0 HZ2 LYS A 64 1.736 14.154 -4.763 1.00 2.16 H new ATOM 0 HZ3 LYS A 64 0.388 15.007 -4.181 1.00 2.16 H new ATOM 962 N ASN A 65 1.558 9.105 -4.063 1.00 0.26 N ATOM 963 CA ASN A 65 2.055 8.797 -5.412 1.00 0.29 C ATOM 964 C ASN A 65 1.612 7.396 -5.773 1.00 0.28 C ATOM 965 O ASN A 65 1.555 7.006 -6.944 1.00 0.42 O ATOM 966 CB ASN A 65 3.596 8.857 -5.424 1.00 0.36 C ATOM 967 CG ASN A 65 4.229 8.659 -6.799 1.00 0.90 C ATOM 968 OD1 ASN A 65 4.481 7.531 -7.229 1.00 1.59 O ATOM 969 ND2 ASN A 65 4.568 9.739 -7.448 1.00 1.43 N ATOM 0 H ASN A 65 2.203 8.844 -3.317 1.00 0.26 H new ATOM 0 HA ASN A 65 1.662 9.519 -6.128 1.00 0.29 H new ATOM 0 HB2 ASN A 65 3.912 9.822 -5.029 1.00 0.36 H new ATOM 0 HB3 ASN A 65 3.982 8.094 -4.748 1.00 0.36 H new ATOM 0 HD21 ASN A 65 5.057 9.666 -8.340 1.00 1.43 H new ATOM 0 HD22 ASN A 65 4.344 10.657 -7.063 1.00 1.43 H new ATOM 976 N LEU A 66 1.266 6.653 -4.754 1.00 0.21 N ATOM 977 CA LEU A 66 0.860 5.316 -4.891 1.00 0.23 C ATOM 978 C LEU A 66 -0.632 5.332 -5.074 1.00 0.25 C ATOM 979 O LEU A 66 -1.349 5.850 -4.235 1.00 0.31 O ATOM 980 CB LEU A 66 1.223 4.518 -3.613 1.00 0.22 C ATOM 981 CG LEU A 66 2.667 4.674 -3.075 1.00 0.21 C ATOM 982 CD1 LEU A 66 2.908 3.762 -1.874 1.00 0.22 C ATOM 983 CD2 LEU A 66 3.694 4.422 -4.167 1.00 0.23 C ATOM 0 H LEU A 66 1.265 6.988 -3.790 1.00 0.21 H new ATOM 0 HA LEU A 66 1.356 4.842 -5.738 1.00 0.23 H new ATOM 0 HB2 LEU A 66 0.533 4.812 -2.822 1.00 0.22 H new ATOM 0 HB3 LEU A 66 1.048 3.461 -3.812 1.00 0.22 H new ATOM 0 HG LEU A 66 2.785 5.705 -2.742 1.00 0.21 H new ATOM 0 HD11 LEU A 66 3.930 3.893 -1.517 1.00 0.22 H new ATOM 0 HD12 LEU A 66 2.210 4.018 -1.077 1.00 0.22 H new ATOM 0 HD13 LEU A 66 2.757 2.724 -2.169 1.00 0.22 H new ATOM 0 HD21 LEU A 66 4.697 4.539 -3.757 1.00 0.23 H new ATOM 0 HD22 LEU A 66 3.575 3.409 -4.551 1.00 0.23 H new ATOM 0 HD23 LEU A 66 3.547 5.137 -4.977 1.00 0.23 H new ATOM 995 N LYS A 67 -1.087 4.869 -6.185 1.00 0.28 N ATOM 996 CA LYS A 67 -2.509 4.769 -6.387 1.00 0.34 C ATOM 997 C LYS A 67 -2.968 3.330 -6.272 1.00 0.30 C ATOM 998 O LYS A 67 -4.029 3.047 -5.710 1.00 0.38 O ATOM 999 CB LYS A 67 -3.051 5.479 -7.672 1.00 0.46 C ATOM 1000 CG LYS A 67 -2.387 5.172 -9.026 1.00 1.05 C ATOM 1001 CD LYS A 67 -1.087 5.953 -9.227 1.00 1.26 C ATOM 1002 CE LYS A 67 -0.529 5.794 -10.647 1.00 1.83 C ATOM 1003 NZ LYS A 67 -0.209 4.389 -10.981 1.00 2.55 N ATOM 0 H LYS A 67 -0.512 4.554 -6.966 1.00 0.28 H new ATOM 0 HA LYS A 67 -2.962 5.341 -5.577 1.00 0.34 H new ATOM 0 HB2 LYS A 67 -4.110 5.236 -7.761 1.00 0.46 H new ATOM 0 HB3 LYS A 67 -2.984 6.554 -7.508 1.00 0.46 H new ATOM 0 HG2 LYS A 67 -2.180 4.104 -9.093 1.00 1.05 H new ATOM 0 HG3 LYS A 67 -3.081 5.413 -9.831 1.00 1.05 H new ATOM 0 HD2 LYS A 67 -1.265 7.009 -9.024 1.00 1.26 H new ATOM 0 HD3 LYS A 67 -0.344 5.611 -8.506 1.00 1.26 H new ATOM 0 HE2 LYS A 67 -1.256 6.177 -11.363 1.00 1.83 H new ATOM 0 HE3 LYS A 67 0.370 6.401 -10.750 1.00 1.83 H new ATOM 0 HZ1 LYS A 67 -0.165 4.279 -12.014 1.00 2.55 H new ATOM 0 HZ2 LYS A 67 0.710 4.134 -10.566 1.00 2.55 H new ATOM 0 HZ3 LYS A 67 -0.947 3.764 -10.597 1.00 2.55 H new ATOM 1017 N THR A 68 -2.160 2.411 -6.767 1.00 0.23 N ATOM 1018 CA THR A 68 -2.449 1.034 -6.651 1.00 0.19 C ATOM 1019 C THR A 68 -1.480 0.395 -5.681 1.00 0.18 C ATOM 1020 O THR A 68 -0.561 1.045 -5.171 1.00 0.20 O ATOM 1021 CB THR A 68 -2.350 0.292 -8.023 1.00 0.18 C ATOM 1022 OG1 THR A 68 -0.997 0.257 -8.476 1.00 0.21 O ATOM 1023 CG2 THR A 68 -3.201 0.970 -9.079 1.00 0.22 C ATOM 0 H THR A 68 -1.290 2.620 -7.257 1.00 0.23 H new ATOM 0 HA THR A 68 -3.474 0.946 -6.291 1.00 0.19 H new ATOM 0 HB THR A 68 -2.716 -0.723 -7.869 1.00 0.18 H new ATOM 0 HG1 THR A 68 -0.786 1.094 -8.940 1.00 0.21 H new ATOM 0 HG21 THR A 68 -3.110 0.430 -10.021 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.243 0.971 -8.760 1.00 0.22 H new ATOM 0 HG23 THR A 68 -2.862 1.997 -9.215 1.00 0.22 H new ATOM 1031 N VAL A 69 -1.650 -0.876 -5.463 1.00 0.19 N ATOM 1032 CA VAL A 69 -0.735 -1.651 -4.682 1.00 0.18 C ATOM 1033 C VAL A 69 0.373 -2.105 -5.570 1.00 0.15 C ATOM 1034 O VAL A 69 1.444 -2.485 -5.120 1.00 0.17 O ATOM 1035 CB VAL A 69 -1.432 -2.789 -3.853 1.00 0.34 C ATOM 1036 CG1 VAL A 69 -2.639 -3.273 -4.552 1.00 1.05 C ATOM 1037 CG2 VAL A 69 -0.519 -3.964 -3.525 1.00 1.21 C ATOM 0 H VAL A 69 -2.439 -1.409 -5.828 1.00 0.19 H new ATOM 0 HA VAL A 69 -0.301 -1.029 -3.899 1.00 0.18 H new ATOM 0 HB VAL A 69 -1.705 -2.335 -2.900 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -3.109 -4.061 -3.963 1.00 1.05 H new ATOM 0 HG12 VAL A 69 -3.340 -2.449 -4.680 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -2.360 -3.667 -5.529 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -1.074 -4.707 -2.952 1.00 1.21 H new ATOM 0 HG22 VAL A 69 -0.159 -4.414 -4.450 1.00 1.21 H new ATOM 0 HG23 VAL A 69 0.330 -3.613 -2.938 1.00 1.21 H new ATOM 1047 N GLY A 70 0.135 -1.952 -6.865 1.00 0.14 N ATOM 1048 CA GLY A 70 1.184 -2.182 -7.812 1.00 0.16 C ATOM 1049 C GLY A 70 2.202 -1.109 -7.611 1.00 0.19 C ATOM 1050 O GLY A 70 3.365 -1.380 -7.400 1.00 0.33 O ATOM 0 H GLY A 70 -0.761 -1.675 -7.265 1.00 0.14 H new ATOM 0 HA2 GLY A 70 1.628 -3.166 -7.663 1.00 0.16 H new ATOM 0 HA3 GLY A 70 0.795 -2.158 -8.830 1.00 0.16 H new ATOM 1054 N ASP A 71 1.697 0.104 -7.566 1.00 0.17 N ATOM 1055 CA ASP A 71 2.446 1.298 -7.282 1.00 0.20 C ATOM 1056 C ASP A 71 3.144 1.175 -5.965 1.00 0.17 C ATOM 1057 O ASP A 71 4.358 1.300 -5.888 1.00 0.20 O ATOM 1058 CB ASP A 71 1.482 2.451 -7.150 1.00 0.32 C ATOM 1059 CG ASP A 71 0.937 2.989 -8.412 1.00 0.87 C ATOM 1060 OD1 ASP A 71 1.603 3.760 -9.089 1.00 1.28 O ATOM 1061 OD2 ASP A 71 -0.220 2.693 -8.723 1.00 1.39 O ATOM 0 H ASP A 71 0.708 0.288 -7.735 1.00 0.17 H new ATOM 0 HA ASP A 71 3.168 1.453 -8.084 1.00 0.20 H new ATOM 0 HB2 ASP A 71 0.648 2.131 -6.525 1.00 0.32 H new ATOM 0 HB3 ASP A 71 1.985 3.260 -6.621 1.00 0.32 H new ATOM 1066 N ALA A 72 2.343 0.923 -4.926 1.00 0.15 N ATOM 1067 CA ALA A 72 2.824 0.836 -3.562 1.00 0.13 C ATOM 1068 C ALA A 72 3.960 -0.111 -3.441 1.00 0.12 C ATOM 1069 O ALA A 72 5.061 0.283 -3.127 1.00 0.14 O ATOM 1070 CB ALA A 72 1.706 0.370 -2.642 1.00 0.13 C ATOM 0 H ALA A 72 1.338 0.774 -5.018 1.00 0.15 H new ATOM 0 HA ALA A 72 3.163 1.831 -3.275 1.00 0.13 H new ATOM 0 HB1 ALA A 72 2.078 0.308 -1.619 1.00 0.13 H new ATOM 0 HB2 ALA A 72 0.880 1.080 -2.685 1.00 0.13 H new ATOM 0 HB3 ALA A 72 1.358 -0.612 -2.961 1.00 0.13 H new ATOM 1076 N THR A 73 3.704 -1.322 -3.765 1.00 0.11 N ATOM 1077 CA THR A 73 4.659 -2.375 -3.619 1.00 0.13 C ATOM 1078 C THR A 73 5.936 -2.151 -4.435 1.00 0.16 C ATOM 1079 O THR A 73 7.055 -2.330 -3.918 1.00 0.24 O ATOM 1080 CB THR A 73 4.023 -3.678 -4.000 1.00 0.14 C ATOM 1081 OG1 THR A 73 2.827 -3.832 -3.242 1.00 0.15 O ATOM 1082 CG2 THR A 73 4.947 -4.796 -3.699 1.00 0.17 C ATOM 0 H THR A 73 2.808 -1.625 -4.148 1.00 0.11 H new ATOM 0 HA THR A 73 4.964 -2.391 -2.573 1.00 0.13 H new ATOM 0 HB THR A 73 3.798 -3.685 -5.067 1.00 0.14 H new ATOM 0 HG1 THR A 73 2.080 -3.417 -3.722 1.00 0.15 H new ATOM 0 HG21 THR A 73 4.479 -5.740 -3.978 1.00 0.17 H new ATOM 0 HG22 THR A 73 5.870 -4.667 -4.264 1.00 0.17 H new ATOM 0 HG23 THR A 73 5.173 -4.804 -2.633 1.00 0.17 H new ATOM 1090 N LYS A 74 5.773 -1.751 -5.679 1.00 0.17 N ATOM 1091 CA LYS A 74 6.886 -1.478 -6.564 1.00 0.20 C ATOM 1092 C LYS A 74 7.710 -0.331 -6.052 1.00 0.23 C ATOM 1093 O LYS A 74 8.847 -0.163 -6.443 1.00 0.45 O ATOM 1094 CB LYS A 74 6.397 -1.113 -7.919 1.00 0.25 C ATOM 1095 CG LYS A 74 6.331 -2.233 -8.951 1.00 0.98 C ATOM 1096 CD LYS A 74 5.354 -3.335 -8.614 1.00 2.21 C ATOM 1097 CE LYS A 74 5.162 -4.256 -9.811 1.00 2.92 C ATOM 1098 NZ LYS A 74 4.609 -3.528 -10.983 1.00 3.63 N ATOM 0 H LYS A 74 4.859 -1.605 -6.107 1.00 0.17 H new ATOM 0 HA LYS A 74 7.492 -2.383 -6.608 1.00 0.20 H new ATOM 0 HB2 LYS A 74 5.399 -0.686 -7.816 1.00 0.25 H new ATOM 0 HB3 LYS A 74 7.041 -0.326 -8.312 1.00 0.25 H new ATOM 0 HG2 LYS A 74 6.059 -1.806 -9.916 1.00 0.98 H new ATOM 0 HG3 LYS A 74 7.325 -2.667 -9.063 1.00 0.98 H new ATOM 0 HD2 LYS A 74 5.721 -3.907 -7.762 1.00 2.21 H new ATOM 0 HD3 LYS A 74 4.397 -2.904 -8.321 1.00 2.21 H new ATOM 0 HE2 LYS A 74 6.117 -4.706 -10.080 1.00 2.92 H new ATOM 0 HE3 LYS A 74 4.491 -5.071 -9.539 1.00 2.92 H new ATOM 0 HZ1 LYS A 74 4.136 -4.202 -11.618 1.00 3.63 H new ATOM 0 HZ2 LYS A 74 3.922 -2.818 -10.658 1.00 3.63 H new ATOM 0 HZ3 LYS A 74 5.381 -3.055 -11.494 1.00 3.63 H new ATOM 1112 N TYR A 75 7.107 0.489 -5.247 1.00 0.16 N ATOM 1113 CA TYR A 75 7.790 1.564 -4.623 1.00 0.16 C ATOM 1114 C TYR A 75 8.518 1.059 -3.396 1.00 0.16 C ATOM 1115 O TYR A 75 9.720 1.262 -3.243 1.00 0.19 O ATOM 1116 CB TYR A 75 6.806 2.645 -4.227 1.00 0.16 C ATOM 1117 CG TYR A 75 7.456 3.793 -3.514 1.00 0.18 C ATOM 1118 CD1 TYR A 75 8.241 4.701 -4.193 1.00 0.26 C ATOM 1119 CD2 TYR A 75 7.304 3.946 -2.147 1.00 0.21 C ATOM 1120 CE1 TYR A 75 8.860 5.729 -3.532 1.00 0.32 C ATOM 1121 CE2 TYR A 75 7.913 4.970 -1.480 1.00 0.26 C ATOM 1122 CZ TYR A 75 8.695 5.862 -2.176 1.00 0.28 C ATOM 1123 OH TYR A 75 9.323 6.890 -1.512 1.00 0.40 O ATOM 0 H TYR A 75 6.118 0.424 -5.007 1.00 0.16 H new ATOM 0 HA TYR A 75 8.511 1.983 -5.324 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.303 3.016 -5.120 1.00 0.16 H new ATOM 0 HB3 TYR A 75 6.038 2.213 -3.585 1.00 0.16 H new ATOM 0 HD1 TYR A 75 8.370 4.600 -5.261 1.00 0.26 H new ATOM 0 HD2 TYR A 75 6.694 3.244 -1.599 1.00 0.21 H new ATOM 0 HE1 TYR A 75 9.475 6.431 -4.075 1.00 0.32 H new ATOM 0 HE2 TYR A 75 7.782 5.079 -0.414 1.00 0.26 H new ATOM 0 HH TYR A 75 9.381 7.672 -2.100 1.00 0.40 H new ATOM 1133 N ILE A 76 7.766 0.392 -2.549 1.00 0.14 N ATOM 1134 CA ILE A 76 8.219 -0.137 -1.282 1.00 0.16 C ATOM 1135 C ILE A 76 9.472 -0.999 -1.454 1.00 0.17 C ATOM 1136 O ILE A 76 10.532 -0.588 -1.068 1.00 0.21 O ATOM 1137 CB ILE A 76 7.068 -0.967 -0.668 1.00 0.15 C ATOM 1138 CG1 ILE A 76 5.919 -0.048 -0.300 1.00 0.13 C ATOM 1139 CG2 ILE A 76 7.517 -1.730 0.556 1.00 0.19 C ATOM 1140 CD1 ILE A 76 4.619 -0.766 -0.108 1.00 0.13 C ATOM 0 H ILE A 76 6.782 0.195 -2.732 1.00 0.14 H new ATOM 0 HA ILE A 76 8.487 0.686 -0.619 1.00 0.16 H new ATOM 0 HB ILE A 76 6.745 -1.693 -1.414 1.00 0.15 H new ATOM 0 HG12 ILE A 76 6.170 0.485 0.617 1.00 0.13 H new ATOM 0 HG13 ILE A 76 5.799 0.702 -1.082 1.00 0.13 H new ATOM 0 HG21 ILE A 76 6.679 -2.300 0.957 1.00 0.19 H new ATOM 0 HG22 ILE A 76 8.323 -2.412 0.284 1.00 0.19 H new ATOM 0 HG23 ILE A 76 7.874 -1.029 1.311 1.00 0.19 H new ATOM 0 HD11 ILE A 76 3.842 -0.048 0.153 1.00 0.13 H new ATOM 0 HD12 ILE A 76 4.346 -1.277 -1.031 1.00 0.13 H new ATOM 0 HD13 ILE A 76 4.722 -1.497 0.694 1.00 0.13 H new ATOM 1152 N LEU A 77 9.330 -2.131 -2.119 1.00 0.17 N ATOM 1153 CA LEU A 77 10.383 -3.123 -2.346 1.00 0.20 C ATOM 1154 C LEU A 77 11.616 -2.505 -2.950 1.00 0.22 C ATOM 1155 O LEU A 77 12.749 -2.798 -2.564 1.00 0.29 O ATOM 1156 CB LEU A 77 9.743 -4.226 -3.242 1.00 0.23 C ATOM 1157 CG LEU A 77 10.525 -5.158 -4.192 1.00 0.78 C ATOM 1158 CD1 LEU A 77 9.520 -6.072 -4.811 1.00 1.08 C ATOM 1159 CD2 LEU A 77 11.239 -4.436 -5.335 1.00 1.44 C ATOM 0 H LEU A 77 8.440 -2.403 -2.537 1.00 0.17 H new ATOM 0 HA LEU A 77 10.737 -3.556 -1.411 1.00 0.20 H new ATOM 0 HB2 LEU A 77 9.194 -4.881 -2.565 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.005 -3.717 -3.862 1.00 0.23 H new ATOM 0 HG LEU A 77 11.294 -5.658 -3.602 1.00 0.78 H new ATOM 0 HD11 LEU A 77 10.023 -6.756 -5.495 1.00 1.08 H new ATOM 0 HD12 LEU A 77 9.019 -6.644 -4.030 1.00 1.08 H new ATOM 0 HD13 LEU A 77 8.784 -5.485 -5.360 1.00 1.08 H new ATOM 0 HD21 LEU A 77 11.763 -5.164 -5.954 1.00 1.44 H new ATOM 0 HD22 LEU A 77 10.507 -3.903 -5.942 1.00 1.44 H new ATOM 0 HD23 LEU A 77 11.956 -3.725 -4.925 1.00 1.44 H new ATOM 1171 N ASP A 78 11.355 -1.621 -3.839 1.00 0.22 N ATOM 1172 CA ASP A 78 12.366 -0.952 -4.639 1.00 0.29 C ATOM 1173 C ASP A 78 13.151 0.052 -3.816 1.00 0.30 C ATOM 1174 O ASP A 78 14.311 0.364 -4.110 1.00 0.36 O ATOM 1175 CB ASP A 78 11.682 -0.322 -5.851 1.00 0.45 C ATOM 1176 CG ASP A 78 12.510 0.662 -6.634 1.00 0.49 C ATOM 1177 OD1 ASP A 78 13.272 0.250 -7.524 1.00 0.63 O ATOM 1178 OD2 ASP A 78 12.362 1.867 -6.421 1.00 0.59 O ATOM 0 H ASP A 78 10.405 -1.318 -4.053 1.00 0.22 H new ATOM 0 HA ASP A 78 13.103 -1.674 -4.992 1.00 0.29 H new ATOM 0 HB2 ASP A 78 11.369 -1.121 -6.524 1.00 0.45 H new ATOM 0 HB3 ASP A 78 10.777 0.182 -5.512 1.00 0.45 H new ATOM 1183 N HIS A 79 12.528 0.549 -2.787 1.00 0.29 N ATOM 1184 CA HIS A 79 13.171 1.468 -1.890 1.00 0.36 C ATOM 1185 C HIS A 79 13.604 0.814 -0.570 1.00 0.42 C ATOM 1186 O HIS A 79 14.290 1.454 0.223 1.00 0.58 O ATOM 1187 CB HIS A 79 12.320 2.718 -1.646 1.00 0.38 C ATOM 1188 CG HIS A 79 12.305 3.694 -2.794 1.00 0.61 C ATOM 1189 ND1 HIS A 79 12.880 4.939 -2.733 1.00 0.99 N ATOM 1190 CD2 HIS A 79 11.768 3.604 -4.027 1.00 0.87 C ATOM 1191 CE1 HIS A 79 12.697 5.570 -3.873 1.00 1.25 C ATOM 1192 NE2 HIS A 79 12.026 4.781 -4.680 1.00 1.18 N ATOM 0 H HIS A 79 11.562 0.330 -2.545 1.00 0.29 H new ATOM 0 HA HIS A 79 14.086 1.785 -2.390 1.00 0.36 H new ATOM 0 HB2 HIS A 79 11.296 2.410 -1.433 1.00 0.38 H new ATOM 0 HB3 HIS A 79 12.691 3.227 -0.757 1.00 0.38 H new ATOM 0 HD2 HIS A 79 11.231 2.757 -4.428 1.00 0.87 H new ATOM 0 HE1 HIS A 79 13.040 6.567 -4.105 1.00 1.25 H new ATOM 0 HE2 HIS A 79 11.744 5.006 -5.634 1.00 1.18 H new ATOM 1201 N GLN A 80 13.197 -0.447 -0.316 1.00 0.39 N ATOM 1202 CA GLN A 80 13.613 -1.116 0.923 1.00 0.49 C ATOM 1203 C GLN A 80 15.015 -1.550 0.765 1.00 0.58 C ATOM 1204 O GLN A 80 15.942 -1.084 1.428 1.00 0.83 O ATOM 1205 CB GLN A 80 12.846 -2.387 1.188 1.00 0.67 C ATOM 1206 CG GLN A 80 11.372 -2.346 1.103 1.00 0.52 C ATOM 1207 CD GLN A 80 10.810 -3.749 1.118 1.00 0.57 C ATOM 1208 OE1 GLN A 80 11.455 -4.700 0.697 1.00 0.87 O ATOM 1209 NE2 GLN A 80 9.618 -3.880 1.523 1.00 0.56 N ATOM 0 H GLN A 80 12.602 -1.002 -0.931 1.00 0.39 H new ATOM 0 HA GLN A 80 13.448 -0.405 1.732 1.00 0.49 H new ATOM 0 HB2 GLN A 80 13.199 -3.141 0.484 1.00 0.67 H new ATOM 0 HB3 GLN A 80 13.112 -2.734 2.187 1.00 0.67 H new ATOM 0 HG2 GLN A 80 10.968 -1.775 1.939 1.00 0.52 H new ATOM 0 HG3 GLN A 80 11.067 -1.834 0.190 1.00 0.52 H new ATOM 0 HE21 GLN A 80 9.105 -3.069 1.869 1.00 0.56 H new ATOM 0 HE22 GLN A 80 9.171 -4.796 1.504 1.00 0.56 H new