USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 583 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 33 THR OG1 : rot -47:sc= 0.23 USER MOD Set 1.2: A 40 SER OG : rot 180:sc= 0.00197 USER MOD Single : A 3 THR OG1 : rot 75:sc= 1.02 USER MOD Single : A 4 GLN : amide:sc= 1.25 K(o=1.2,f=-0.00089) USER MOD Single : A 16 ASN : amide:sc= 1.19 K(o=1.2,f=-0.023) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 177:sc= 1.41 (180deg=1.27) USER MOD Single : A 31 SER OG : rot -136:sc= 1.26 USER MOD Single : A 42 SER OG : rot 180:sc= -0.128 USER MOD Single : A 43 MET CE :methyl 158:sc= -0.0791 (180deg=-0.597) USER MOD Single : A 57 LYS NZ :NH3+ 147:sc= 1.3 (180deg=0.974) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0.39) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -81:sc= 1.3 USER MOD Single : A 73 THR OG1 : rot -90:sc= 1.11 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.58 USER MOD ----------------------------------------------------------------- ATOM 13 N ALA A 2 9.573 8.379 -4.243 1.00 1.12 N ATOM 14 CA ALA A 2 8.726 9.387 -3.597 1.00 0.91 C ATOM 15 C ALA A 2 8.623 9.122 -2.109 1.00 0.87 C ATOM 16 O ALA A 2 8.926 8.035 -1.661 1.00 1.07 O ATOM 17 CB ALA A 2 7.359 9.387 -4.243 1.00 0.92 C ATOM 0 HA ALA A 2 9.176 10.371 -3.728 1.00 0.91 H new ATOM 0 HB1 ALA A 2 6.730 10.136 -3.763 1.00 0.92 H new ATOM 0 HB2 ALA A 2 7.457 9.621 -5.303 1.00 0.92 H new ATOM 0 HB3 ALA A 2 6.903 8.403 -4.130 1.00 0.92 H new ATOM 23 N THR A 3 8.182 10.086 -1.346 1.00 0.76 N ATOM 24 CA THR A 3 8.193 9.916 0.082 1.00 0.76 C ATOM 25 C THR A 3 6.801 9.581 0.653 1.00 0.56 C ATOM 26 O THR A 3 5.863 9.452 -0.105 1.00 0.48 O ATOM 27 CB THR A 3 8.834 11.123 0.762 1.00 0.97 C ATOM 28 OG1 THR A 3 9.471 11.935 -0.254 1.00 1.45 O ATOM 29 CG2 THR A 3 9.880 10.670 1.762 1.00 1.57 C ATOM 0 H THR A 3 7.818 10.979 -1.679 1.00 0.76 H new ATOM 0 HA THR A 3 8.811 9.046 0.305 1.00 0.76 H new ATOM 0 HB THR A 3 8.068 11.693 1.288 1.00 0.97 H new ATOM 0 HG1 THR A 3 8.788 12.425 -0.757 1.00 1.45 H new ATOM 0 HG21 THR A 3 10.329 11.541 2.239 1.00 1.57 H new ATOM 0 HG22 THR A 3 9.411 10.042 2.520 1.00 1.57 H new ATOM 0 HG23 THR A 3 10.653 10.100 1.247 1.00 1.57 H new ATOM 37 N GLN A 4 6.683 9.521 1.995 1.00 0.58 N ATOM 38 CA GLN A 4 5.488 9.009 2.718 1.00 0.52 C ATOM 39 C GLN A 4 4.150 9.498 2.176 1.00 0.49 C ATOM 40 O GLN A 4 3.282 8.680 1.844 1.00 0.51 O ATOM 41 CB GLN A 4 5.567 9.317 4.216 1.00 0.65 C ATOM 42 CG GLN A 4 4.413 8.722 5.013 1.00 1.14 C ATOM 43 CD GLN A 4 4.477 9.048 6.481 1.00 1.21 C ATOM 44 OE1 GLN A 4 5.077 8.312 7.272 1.00 1.64 O ATOM 45 NE2 GLN A 4 3.847 10.123 6.867 1.00 1.76 N ATOM 0 H GLN A 4 7.425 9.831 2.623 1.00 0.58 H new ATOM 0 HA GLN A 4 5.517 7.933 2.548 1.00 0.52 H new ATOM 0 HB2 GLN A 4 6.508 8.933 4.610 1.00 0.65 H new ATOM 0 HB3 GLN A 4 5.579 10.398 4.358 1.00 0.65 H new ATOM 0 HG2 GLN A 4 3.471 9.090 4.606 1.00 1.14 H new ATOM 0 HG3 GLN A 4 4.413 7.639 4.887 1.00 1.14 H new ATOM 0 HE21 GLN A 4 3.364 10.704 6.182 1.00 1.76 H new ATOM 0 HE22 GLN A 4 3.838 10.382 7.853 1.00 1.76 H new ATOM 54 N GLU A 5 3.987 10.802 2.062 1.00 0.53 N ATOM 55 CA GLU A 5 2.712 11.366 1.635 1.00 0.58 C ATOM 56 C GLU A 5 2.425 10.992 0.193 1.00 0.53 C ATOM 57 O GLU A 5 1.294 10.633 -0.164 1.00 0.60 O ATOM 58 CB GLU A 5 2.705 12.877 1.799 1.00 0.72 C ATOM 59 CG GLU A 5 3.052 13.351 3.195 1.00 1.48 C ATOM 60 CD GLU A 5 2.190 12.737 4.263 1.00 2.18 C ATOM 61 OE1 GLU A 5 0.978 13.040 4.305 1.00 2.49 O ATOM 62 OE2 GLU A 5 2.724 11.958 5.095 1.00 3.05 O ATOM 0 H GLU A 5 4.714 11.491 2.257 1.00 0.53 H new ATOM 0 HA GLU A 5 1.928 10.950 2.268 1.00 0.58 H new ATOM 0 HB2 GLU A 5 3.413 13.311 1.093 1.00 0.72 H new ATOM 0 HB3 GLU A 5 1.718 13.256 1.534 1.00 0.72 H new ATOM 0 HG2 GLU A 5 4.096 13.117 3.402 1.00 1.48 H new ATOM 0 HG3 GLU A 5 2.954 14.436 3.238 1.00 1.48 H new ATOM 69 N GLU A 6 3.463 11.047 -0.617 1.00 0.50 N ATOM 70 CA GLU A 6 3.384 10.684 -2.012 1.00 0.50 C ATOM 71 C GLU A 6 3.090 9.193 -2.143 1.00 0.42 C ATOM 72 O GLU A 6 2.403 8.771 -3.072 1.00 0.43 O ATOM 73 CB GLU A 6 4.683 11.007 -2.771 1.00 0.59 C ATOM 74 CG GLU A 6 5.159 12.460 -2.736 1.00 1.06 C ATOM 75 CD GLU A 6 5.820 12.857 -1.436 1.00 1.75 C ATOM 76 OE1 GLU A 6 5.125 13.284 -0.498 1.00 2.16 O ATOM 77 OE2 GLU A 6 7.075 12.762 -1.336 1.00 2.53 O ATOM 0 H GLU A 6 4.391 11.348 -0.320 1.00 0.50 H new ATOM 0 HA GLU A 6 2.579 11.272 -2.453 1.00 0.50 H new ATOM 0 HB2 GLU A 6 5.477 10.379 -2.367 1.00 0.59 H new ATOM 0 HB3 GLU A 6 4.548 10.719 -3.813 1.00 0.59 H new ATOM 0 HG2 GLU A 6 5.862 12.622 -3.554 1.00 1.06 H new ATOM 0 HG3 GLU A 6 4.307 13.116 -2.914 1.00 1.06 H new ATOM 84 N ILE A 7 3.631 8.402 -1.213 1.00 0.36 N ATOM 85 CA ILE A 7 3.390 6.972 -1.175 1.00 0.33 C ATOM 86 C ILE A 7 1.903 6.729 -0.970 1.00 0.30 C ATOM 87 O ILE A 7 1.270 6.087 -1.783 1.00 0.30 O ATOM 88 CB ILE A 7 4.180 6.254 -0.035 1.00 0.36 C ATOM 89 CG1 ILE A 7 5.690 6.431 -0.211 1.00 0.40 C ATOM 90 CG2 ILE A 7 3.833 4.769 0.006 1.00 0.40 C ATOM 91 CD1 ILE A 7 6.219 5.954 -1.542 1.00 0.45 C ATOM 0 H ILE A 7 4.245 8.740 -0.472 1.00 0.36 H new ATOM 0 HA ILE A 7 3.736 6.558 -2.122 1.00 0.33 H new ATOM 0 HB ILE A 7 3.888 6.713 0.909 1.00 0.36 H new ATOM 0 HG12 ILE A 7 5.937 7.486 -0.092 1.00 0.40 H new ATOM 0 HG13 ILE A 7 6.203 5.892 0.585 1.00 0.40 H new ATOM 0 HG21 ILE A 7 4.393 4.286 0.807 1.00 0.40 H new ATOM 0 HG22 ILE A 7 2.765 4.650 0.188 1.00 0.40 H new ATOM 0 HG23 ILE A 7 4.092 4.308 -0.947 1.00 0.40 H new ATOM 0 HD11 ILE A 7 7.296 6.116 -1.584 1.00 0.45 H new ATOM 0 HD12 ILE A 7 6.007 4.891 -1.658 1.00 0.45 H new ATOM 0 HD13 ILE A 7 5.737 6.510 -2.346 1.00 0.45 H new ATOM 103 N VAL A 8 1.368 7.270 0.122 1.00 0.31 N ATOM 104 CA VAL A 8 -0.059 7.160 0.470 1.00 0.35 C ATOM 105 C VAL A 8 -0.943 7.578 -0.723 1.00 0.34 C ATOM 106 O VAL A 8 -1.835 6.825 -1.150 1.00 0.36 O ATOM 107 CB VAL A 8 -0.381 8.048 1.714 1.00 0.45 C ATOM 108 CG1 VAL A 8 -1.868 8.082 1.994 1.00 0.57 C ATOM 109 CG2 VAL A 8 0.336 7.514 2.936 1.00 0.49 C ATOM 0 H VAL A 8 1.912 7.803 0.800 1.00 0.31 H new ATOM 0 HA VAL A 8 -0.275 6.120 0.713 1.00 0.35 H new ATOM 0 HB VAL A 8 -0.040 9.060 1.494 1.00 0.45 H new ATOM 0 HG11 VAL A 8 -2.060 8.708 2.865 1.00 0.57 H new ATOM 0 HG12 VAL A 8 -2.392 8.492 1.130 1.00 0.57 H new ATOM 0 HG13 VAL A 8 -2.225 7.071 2.188 1.00 0.57 H new ATOM 0 HG21 VAL A 8 0.104 8.141 3.797 1.00 0.49 H new ATOM 0 HG22 VAL A 8 0.009 6.493 3.132 1.00 0.49 H new ATOM 0 HG23 VAL A 8 1.412 7.523 2.760 1.00 0.49 H new ATOM 119 N ALA A 9 -0.658 8.750 -1.269 1.00 0.37 N ATOM 120 CA ALA A 9 -1.394 9.287 -2.408 1.00 0.41 C ATOM 121 C ALA A 9 -1.292 8.367 -3.633 1.00 0.37 C ATOM 122 O ALA A 9 -2.224 8.283 -4.439 1.00 0.43 O ATOM 123 CB ALA A 9 -0.880 10.664 -2.749 1.00 0.48 C ATOM 0 H ALA A 9 0.090 9.358 -0.936 1.00 0.37 H new ATOM 0 HA ALA A 9 -2.445 9.350 -2.128 1.00 0.41 H new ATOM 0 HB1 ALA A 9 -1.434 11.059 -3.601 1.00 0.48 H new ATOM 0 HB2 ALA A 9 -1.013 11.324 -1.892 1.00 0.48 H new ATOM 0 HB3 ALA A 9 0.179 10.605 -3.001 1.00 0.48 H new ATOM 129 N GLY A 10 -0.168 7.696 -3.766 1.00 0.33 N ATOM 130 CA GLY A 10 0.037 6.780 -4.861 1.00 0.34 C ATOM 131 C GLY A 10 -0.679 5.463 -4.625 1.00 0.31 C ATOM 132 O GLY A 10 -1.262 4.910 -5.538 1.00 0.37 O ATOM 0 H GLY A 10 0.621 7.770 -3.124 1.00 0.33 H new ATOM 0 HA2 GLY A 10 -0.323 7.230 -5.786 1.00 0.34 H new ATOM 0 HA3 GLY A 10 1.104 6.598 -4.989 1.00 0.34 H new ATOM 136 N LEU A 11 -0.633 4.975 -3.382 1.00 0.26 N ATOM 137 CA LEU A 11 -1.263 3.705 -2.982 1.00 0.25 C ATOM 138 C LEU A 11 -2.723 3.701 -3.352 1.00 0.23 C ATOM 139 O LEU A 11 -3.228 2.747 -3.957 1.00 0.24 O ATOM 140 CB LEU A 11 -1.127 3.478 -1.466 1.00 0.28 C ATOM 141 CG LEU A 11 0.287 3.279 -0.921 1.00 0.30 C ATOM 142 CD1 LEU A 11 0.268 3.261 0.600 1.00 0.33 C ATOM 143 CD2 LEU A 11 0.889 1.985 -1.450 1.00 0.32 C ATOM 0 H LEU A 11 -0.155 5.451 -2.617 1.00 0.26 H new ATOM 0 HA LEU A 11 -0.751 2.901 -3.510 1.00 0.25 H new ATOM 0 HB2 LEU A 11 -1.571 4.332 -0.954 1.00 0.28 H new ATOM 0 HB3 LEU A 11 -1.720 2.603 -1.199 1.00 0.28 H new ATOM 0 HG LEU A 11 0.904 4.112 -1.258 1.00 0.30 H new ATOM 0 HD11 LEU A 11 1.282 3.119 0.975 1.00 0.33 H new ATOM 0 HD12 LEU A 11 -0.126 4.207 0.970 1.00 0.33 H new ATOM 0 HD13 LEU A 11 -0.365 2.444 0.946 1.00 0.33 H new ATOM 0 HD21 LEU A 11 1.896 1.862 -1.050 1.00 0.32 H new ATOM 0 HD22 LEU A 11 0.270 1.143 -1.141 1.00 0.32 H new ATOM 0 HD23 LEU A 11 0.933 2.022 -2.538 1.00 0.32 H new ATOM 155 N ALA A 12 -3.386 4.793 -3.039 1.00 0.23 N ATOM 156 CA ALA A 12 -4.790 4.939 -3.317 1.00 0.23 C ATOM 157 C ALA A 12 -5.082 4.948 -4.806 1.00 0.21 C ATOM 158 O ALA A 12 -6.162 4.610 -5.201 1.00 0.24 O ATOM 159 CB ALA A 12 -5.344 6.172 -2.668 1.00 0.28 C ATOM 0 H ALA A 12 -2.963 5.602 -2.585 1.00 0.23 H new ATOM 0 HA ALA A 12 -5.287 4.067 -2.891 1.00 0.23 H new ATOM 0 HB1 ALA A 12 -6.407 6.257 -2.895 1.00 0.28 H new ATOM 0 HB2 ALA A 12 -5.208 6.107 -1.588 1.00 0.28 H new ATOM 0 HB3 ALA A 12 -4.821 7.050 -3.048 1.00 0.28 H new ATOM 165 N GLU A 13 -4.104 5.304 -5.624 1.00 0.24 N ATOM 166 CA GLU A 13 -4.287 5.301 -7.073 1.00 0.29 C ATOM 167 C GLU A 13 -4.471 3.895 -7.571 1.00 0.28 C ATOM 168 O GLU A 13 -5.357 3.626 -8.395 1.00 0.37 O ATOM 169 CB GLU A 13 -3.123 5.965 -7.795 1.00 0.42 C ATOM 170 CG GLU A 13 -3.023 7.454 -7.573 1.00 0.94 C ATOM 171 CD GLU A 13 -4.233 8.186 -8.089 1.00 1.53 C ATOM 172 OE1 GLU A 13 -4.434 8.236 -9.309 1.00 1.55 O ATOM 173 OE2 GLU A 13 -5.003 8.728 -7.295 1.00 2.48 O ATOM 0 H GLU A 13 -3.178 5.598 -5.314 1.00 0.24 H new ATOM 0 HA GLU A 13 -5.183 5.882 -7.291 1.00 0.29 H new ATOM 0 HB2 GLU A 13 -2.194 5.498 -7.469 1.00 0.42 H new ATOM 0 HB3 GLU A 13 -3.217 5.774 -8.864 1.00 0.42 H new ATOM 0 HG2 GLU A 13 -2.906 7.654 -6.508 1.00 0.94 H new ATOM 0 HG3 GLU A 13 -2.130 7.835 -8.069 1.00 0.94 H new ATOM 180 N ILE A 14 -3.666 2.985 -7.059 1.00 0.24 N ATOM 181 CA ILE A 14 -3.802 1.607 -7.447 1.00 0.28 C ATOM 182 C ILE A 14 -5.046 1.030 -6.770 1.00 0.25 C ATOM 183 O ILE A 14 -5.827 0.319 -7.386 1.00 0.32 O ATOM 184 CB ILE A 14 -2.546 0.702 -7.145 1.00 0.35 C ATOM 185 CG1 ILE A 14 -1.263 1.189 -7.862 1.00 0.43 C ATOM 186 CG2 ILE A 14 -2.827 -0.723 -7.574 1.00 0.42 C ATOM 187 CD1 ILE A 14 -0.551 2.355 -7.213 1.00 0.44 C ATOM 0 H ILE A 14 -2.925 3.176 -6.385 1.00 0.24 H new ATOM 0 HA ILE A 14 -3.895 1.598 -8.533 1.00 0.28 H new ATOM 0 HB ILE A 14 -2.371 0.762 -6.071 1.00 0.35 H new ATOM 0 HG12 ILE A 14 -0.567 0.353 -7.928 1.00 0.43 H new ATOM 0 HG13 ILE A 14 -1.523 1.469 -8.883 1.00 0.43 H new ATOM 0 HG21 ILE A 14 -1.957 -1.345 -7.364 1.00 0.42 H new ATOM 0 HG22 ILE A 14 -3.687 -1.105 -7.025 1.00 0.42 H new ATOM 0 HG23 ILE A 14 -3.039 -0.746 -8.643 1.00 0.42 H new ATOM 0 HD11 ILE A 14 0.332 2.613 -7.797 1.00 0.44 H new ATOM 0 HD12 ILE A 14 -1.222 3.213 -7.171 1.00 0.44 H new ATOM 0 HD13 ILE A 14 -0.250 2.080 -6.202 1.00 0.44 H new ATOM 199 N VAL A 15 -5.272 1.396 -5.514 1.00 0.22 N ATOM 200 CA VAL A 15 -6.445 0.901 -4.813 1.00 0.22 C ATOM 201 C VAL A 15 -7.756 1.450 -5.458 1.00 0.22 C ATOM 202 O VAL A 15 -8.813 0.824 -5.396 1.00 0.25 O ATOM 203 CB VAL A 15 -6.400 1.140 -3.260 1.00 0.26 C ATOM 204 CG1 VAL A 15 -7.582 0.504 -2.584 1.00 0.30 C ATOM 205 CG2 VAL A 15 -5.144 0.558 -2.648 1.00 0.34 C ATOM 0 H VAL A 15 -4.673 2.019 -4.972 1.00 0.22 H new ATOM 0 HA VAL A 15 -6.440 -0.183 -4.932 1.00 0.22 H new ATOM 0 HB VAL A 15 -6.417 2.219 -3.110 1.00 0.26 H new ATOM 0 HG11 VAL A 15 -7.527 0.684 -1.510 1.00 0.30 H new ATOM 0 HG12 VAL A 15 -8.502 0.936 -2.978 1.00 0.30 H new ATOM 0 HG13 VAL A 15 -7.575 -0.569 -2.773 1.00 0.30 H new ATOM 0 HG21 VAL A 15 -5.145 0.741 -1.573 1.00 0.34 H new ATOM 0 HG22 VAL A 15 -5.113 -0.516 -2.834 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -4.269 1.029 -3.096 1.00 0.34 H new ATOM 215 N ASN A 16 -7.647 2.578 -6.136 1.00 0.24 N ATOM 216 CA ASN A 16 -8.770 3.172 -6.862 1.00 0.30 C ATOM 217 C ASN A 16 -9.100 2.362 -8.091 1.00 0.34 C ATOM 218 O ASN A 16 -10.241 2.005 -8.297 1.00 0.43 O ATOM 219 CB ASN A 16 -8.490 4.637 -7.242 1.00 0.37 C ATOM 220 CG ASN A 16 -9.575 5.260 -8.119 1.00 0.50 C ATOM 221 OD1 ASN A 16 -9.495 5.224 -9.350 1.00 0.95 O ATOM 222 ND2 ASN A 16 -10.583 5.833 -7.506 1.00 0.48 N ATOM 0 H ASN A 16 -6.781 3.113 -6.203 1.00 0.24 H new ATOM 0 HA ASN A 16 -9.632 3.162 -6.195 1.00 0.30 H new ATOM 0 HB2 ASN A 16 -8.388 5.227 -6.331 1.00 0.37 H new ATOM 0 HB3 ASN A 16 -7.536 4.692 -7.766 1.00 0.37 H new ATOM 0 HD21 ASN A 16 -11.330 6.266 -8.049 1.00 0.48 H new ATOM 0 HD22 ASN A 16 -10.619 5.846 -6.487 1.00 0.48 H new ATOM 229 N GLU A 17 -8.086 2.016 -8.872 1.00 0.37 N ATOM 230 CA GLU A 17 -8.310 1.249 -10.101 1.00 0.48 C ATOM 231 C GLU A 17 -8.756 -0.181 -9.797 1.00 0.47 C ATOM 232 O GLU A 17 -9.388 -0.835 -10.618 1.00 0.60 O ATOM 233 CB GLU A 17 -7.077 1.268 -11.032 1.00 0.63 C ATOM 234 CG GLU A 17 -5.787 0.724 -10.434 1.00 1.05 C ATOM 235 CD GLU A 17 -4.636 0.749 -11.412 1.00 1.51 C ATOM 236 OE1 GLU A 17 -4.183 1.858 -11.787 1.00 1.70 O ATOM 237 OE2 GLU A 17 -4.158 -0.331 -11.829 1.00 2.11 O ATOM 0 H GLU A 17 -7.111 2.248 -8.685 1.00 0.37 H new ATOM 0 HA GLU A 17 -9.122 1.742 -10.636 1.00 0.48 H new ATOM 0 HB2 GLU A 17 -7.312 0.692 -11.927 1.00 0.63 H new ATOM 0 HB3 GLU A 17 -6.902 2.295 -11.351 1.00 0.63 H new ATOM 0 HG2 GLU A 17 -5.524 1.311 -9.554 1.00 1.05 H new ATOM 0 HG3 GLU A 17 -5.951 -0.300 -10.098 1.00 1.05 H new ATOM 244 N ILE A 18 -8.416 -0.649 -8.620 1.00 0.39 N ATOM 245 CA ILE A 18 -8.772 -1.982 -8.205 1.00 0.43 C ATOM 246 C ILE A 18 -10.148 -2.016 -7.495 1.00 0.44 C ATOM 247 O ILE A 18 -11.044 -2.759 -7.903 1.00 0.53 O ATOM 248 CB ILE A 18 -7.662 -2.552 -7.263 1.00 0.44 C ATOM 249 CG1 ILE A 18 -6.327 -2.708 -8.019 1.00 0.52 C ATOM 250 CG2 ILE A 18 -8.073 -3.870 -6.623 1.00 0.50 C ATOM 251 CD1 ILE A 18 -6.387 -3.633 -9.221 1.00 0.71 C ATOM 0 H ILE A 18 -7.888 -0.119 -7.927 1.00 0.39 H new ATOM 0 HA ILE A 18 -8.851 -2.604 -9.097 1.00 0.43 H new ATOM 0 HB ILE A 18 -7.525 -1.830 -6.458 1.00 0.44 H new ATOM 0 HG12 ILE A 18 -5.995 -1.724 -8.350 1.00 0.52 H new ATOM 0 HG13 ILE A 18 -5.573 -3.082 -7.326 1.00 0.52 H new ATOM 0 HG21 ILE A 18 -7.270 -4.227 -5.978 1.00 0.50 H new ATOM 0 HG22 ILE A 18 -8.976 -3.721 -6.031 1.00 0.50 H new ATOM 0 HG23 ILE A 18 -8.268 -4.608 -7.402 1.00 0.50 H new ATOM 0 HD11 ILE A 18 -5.405 -3.683 -9.691 1.00 0.71 H new ATOM 0 HD12 ILE A 18 -6.686 -4.630 -8.898 1.00 0.71 H new ATOM 0 HD13 ILE A 18 -7.114 -3.251 -9.938 1.00 0.71 H new ATOM 263 N ALA A 19 -10.334 -1.199 -6.471 1.00 0.40 N ATOM 264 CA ALA A 19 -11.544 -1.294 -5.649 1.00 0.46 C ATOM 265 C ALA A 19 -12.495 -0.116 -5.788 1.00 0.45 C ATOM 266 O ALA A 19 -13.593 -0.139 -5.217 1.00 0.68 O ATOM 267 CB ALA A 19 -11.164 -1.475 -4.200 1.00 0.52 C ATOM 0 H ALA A 19 -9.678 -0.471 -6.187 1.00 0.40 H new ATOM 0 HA ALA A 19 -12.089 -2.162 -6.021 1.00 0.46 H new ATOM 0 HB1 ALA A 19 -12.067 -1.545 -3.593 1.00 0.52 H new ATOM 0 HB2 ALA A 19 -10.580 -2.389 -4.088 1.00 0.52 H new ATOM 0 HB3 ALA A 19 -10.570 -0.622 -3.870 1.00 0.52 H new ATOM 273 N GLY A 20 -12.095 0.897 -6.518 1.00 0.44 N ATOM 274 CA GLY A 20 -12.937 2.064 -6.691 1.00 0.46 C ATOM 275 C GLY A 20 -13.106 2.868 -5.416 1.00 0.52 C ATOM 276 O GLY A 20 -14.211 3.260 -5.067 1.00 0.93 O ATOM 0 H GLY A 20 -11.198 0.941 -7.001 1.00 0.44 H new ATOM 0 HA2 GLY A 20 -12.508 2.703 -7.463 1.00 0.46 H new ATOM 0 HA3 GLY A 20 -13.917 1.748 -7.047 1.00 0.46 H new ATOM 280 N ILE A 21 -12.031 3.087 -4.707 1.00 0.38 N ATOM 281 CA ILE A 21 -12.097 3.889 -3.499 1.00 0.39 C ATOM 282 C ILE A 21 -11.744 5.335 -3.783 1.00 0.43 C ATOM 283 O ILE A 21 -11.075 5.625 -4.787 1.00 0.50 O ATOM 284 CB ILE A 21 -11.212 3.323 -2.326 1.00 0.39 C ATOM 285 CG1 ILE A 21 -9.766 2.984 -2.751 1.00 0.41 C ATOM 286 CG2 ILE A 21 -11.868 2.128 -1.670 1.00 0.60 C ATOM 287 CD1 ILE A 21 -8.847 4.160 -3.032 1.00 0.43 C ATOM 0 H ILE A 21 -11.104 2.728 -4.936 1.00 0.38 H new ATOM 0 HA ILE A 21 -13.132 3.837 -3.161 1.00 0.39 H new ATOM 0 HB ILE A 21 -11.138 4.130 -1.597 1.00 0.39 H new ATOM 0 HG12 ILE A 21 -9.313 2.378 -1.966 1.00 0.41 H new ATOM 0 HG13 ILE A 21 -9.810 2.365 -3.647 1.00 0.41 H new ATOM 0 HG21 ILE A 21 -11.232 1.761 -0.864 1.00 0.60 H new ATOM 0 HG22 ILE A 21 -12.836 2.422 -1.263 1.00 0.60 H new ATOM 0 HG23 ILE A 21 -12.009 1.339 -2.409 1.00 0.60 H new ATOM 0 HD11 ILE A 21 -7.862 3.792 -3.320 1.00 0.43 H new ATOM 0 HD12 ILE A 21 -9.261 4.760 -3.842 1.00 0.43 H new ATOM 0 HD13 ILE A 21 -8.757 4.773 -2.136 1.00 0.43 H new ATOM 299 N PRO A 22 -12.210 6.266 -2.952 1.00 0.52 N ATOM 300 CA PRO A 22 -11.806 7.653 -3.051 1.00 0.60 C ATOM 301 C PRO A 22 -10.329 7.764 -2.674 1.00 0.55 C ATOM 302 O PRO A 22 -9.887 7.180 -1.680 1.00 0.52 O ATOM 303 CB PRO A 22 -12.681 8.372 -2.002 1.00 0.74 C ATOM 304 CG PRO A 22 -13.771 7.411 -1.679 1.00 0.75 C ATOM 305 CD PRO A 22 -13.181 6.051 -1.865 1.00 0.63 C ATOM 0 HA PRO A 22 -11.927 8.074 -4.049 1.00 0.60 H new ATOM 0 HB2 PRO A 22 -12.103 8.625 -1.113 1.00 0.74 H new ATOM 0 HB3 PRO A 22 -13.083 9.305 -2.397 1.00 0.74 H new ATOM 0 HG2 PRO A 22 -14.123 7.548 -0.657 1.00 0.75 H new ATOM 0 HG3 PRO A 22 -14.629 7.558 -2.334 1.00 0.75 H new ATOM 0 HD2 PRO A 22 -12.699 5.691 -0.956 1.00 0.63 H new ATOM 0 HD3 PRO A 22 -13.938 5.315 -2.137 1.00 0.63 H new ATOM 313 N VAL A 23 -9.575 8.535 -3.408 1.00 0.62 N ATOM 314 CA VAL A 23 -8.132 8.597 -3.186 1.00 0.65 C ATOM 315 C VAL A 23 -7.761 9.589 -2.107 1.00 0.73 C ATOM 316 O VAL A 23 -6.597 9.910 -1.884 1.00 1.02 O ATOM 317 CB VAL A 23 -7.343 8.846 -4.476 1.00 0.78 C ATOM 318 CG1 VAL A 23 -7.583 7.692 -5.417 1.00 1.48 C ATOM 319 CG2 VAL A 23 -7.754 10.167 -5.128 1.00 1.35 C ATOM 0 H VAL A 23 -9.919 9.130 -4.162 1.00 0.62 H new ATOM 0 HA VAL A 23 -7.843 7.608 -2.829 1.00 0.65 H new ATOM 0 HB VAL A 23 -6.281 8.918 -4.241 1.00 0.78 H new ATOM 0 HG11 VAL A 23 -7.028 7.854 -6.341 1.00 1.48 H new ATOM 0 HG12 VAL A 23 -7.248 6.766 -4.950 1.00 1.48 H new ATOM 0 HG13 VAL A 23 -8.647 7.621 -5.641 1.00 1.48 H new ATOM 0 HG21 VAL A 23 -7.178 10.317 -6.041 1.00 1.35 H new ATOM 0 HG22 VAL A 23 -8.816 10.138 -5.370 1.00 1.35 H new ATOM 0 HG23 VAL A 23 -7.561 10.989 -4.438 1.00 1.35 H new ATOM 329 N GLU A 24 -8.759 10.007 -1.412 1.00 0.66 N ATOM 330 CA GLU A 24 -8.623 10.886 -0.303 1.00 0.76 C ATOM 331 C GLU A 24 -9.054 10.145 0.952 1.00 0.69 C ATOM 332 O GLU A 24 -8.968 10.664 2.063 1.00 0.80 O ATOM 333 CB GLU A 24 -9.486 12.104 -0.551 1.00 0.99 C ATOM 334 CG GLU A 24 -10.958 11.784 -0.749 1.00 1.22 C ATOM 335 CD GLU A 24 -11.721 12.950 -1.284 1.00 1.54 C ATOM 336 OE1 GLU A 24 -11.854 13.951 -0.565 1.00 2.03 O ATOM 337 OE2 GLU A 24 -12.229 12.873 -2.420 1.00 1.89 O ATOM 0 H GLU A 24 -9.724 9.739 -1.605 1.00 0.66 H new ATOM 0 HA GLU A 24 -7.591 11.213 -0.175 1.00 0.76 H new ATOM 0 HB2 GLU A 24 -9.383 12.788 0.291 1.00 0.99 H new ATOM 0 HB3 GLU A 24 -9.116 12.626 -1.433 1.00 0.99 H new ATOM 0 HG2 GLU A 24 -11.056 10.942 -1.434 1.00 1.22 H new ATOM 0 HG3 GLU A 24 -11.392 11.473 0.202 1.00 1.22 H new ATOM 344 N ASP A 25 -9.503 8.907 0.750 1.00 0.60 N ATOM 345 CA ASP A 25 -9.977 8.059 1.833 1.00 0.64 C ATOM 346 C ASP A 25 -8.783 7.445 2.520 1.00 0.55 C ATOM 347 O ASP A 25 -8.688 7.415 3.742 1.00 0.58 O ATOM 348 CB ASP A 25 -10.865 6.944 1.266 1.00 0.72 C ATOM 349 CG ASP A 25 -11.514 6.093 2.337 1.00 0.90 C ATOM 350 OD1 ASP A 25 -12.572 6.468 2.849 1.00 1.07 O ATOM 351 OD2 ASP A 25 -10.987 5.024 2.676 1.00 0.98 O ATOM 0 H ASP A 25 -9.547 8.468 -0.170 1.00 0.60 H new ATOM 0 HA ASP A 25 -10.556 8.652 2.541 1.00 0.64 H new ATOM 0 HB2 ASP A 25 -11.642 7.389 0.644 1.00 0.72 H new ATOM 0 HB3 ASP A 25 -10.265 6.305 0.618 1.00 0.72 H new ATOM 356 N VAL A 26 -7.847 7.011 1.707 1.00 0.51 N ATOM 357 CA VAL A 26 -6.629 6.373 2.158 1.00 0.47 C ATOM 358 C VAL A 26 -5.675 7.413 2.734 1.00 0.47 C ATOM 359 O VAL A 26 -4.944 8.061 2.007 1.00 0.51 O ATOM 360 CB VAL A 26 -5.938 5.623 0.981 1.00 0.51 C ATOM 361 CG1 VAL A 26 -4.702 4.867 1.453 1.00 0.73 C ATOM 362 CG2 VAL A 26 -6.912 4.673 0.298 1.00 0.70 C ATOM 0 H VAL A 26 -7.912 7.093 0.692 1.00 0.51 H new ATOM 0 HA VAL A 26 -6.885 5.651 2.934 1.00 0.47 H new ATOM 0 HB VAL A 26 -5.618 6.372 0.257 1.00 0.51 H new ATOM 0 HG11 VAL A 26 -4.244 4.355 0.607 1.00 0.73 H new ATOM 0 HG12 VAL A 26 -3.988 5.570 1.882 1.00 0.73 H new ATOM 0 HG13 VAL A 26 -4.989 4.135 2.208 1.00 0.73 H new ATOM 0 HG21 VAL A 26 -6.407 4.161 -0.521 1.00 0.70 H new ATOM 0 HG22 VAL A 26 -7.270 3.939 1.019 1.00 0.70 H new ATOM 0 HG23 VAL A 26 -7.757 5.239 -0.094 1.00 0.70 H new ATOM 372 N LYS A 27 -5.818 7.669 4.011 1.00 0.49 N ATOM 373 CA LYS A 27 -4.904 8.518 4.738 1.00 0.54 C ATOM 374 C LYS A 27 -4.184 7.683 5.782 1.00 0.47 C ATOM 375 O LYS A 27 -4.507 6.515 5.933 1.00 0.51 O ATOM 376 CB LYS A 27 -5.615 9.744 5.341 1.00 0.65 C ATOM 377 CG LYS A 27 -6.160 10.688 4.272 1.00 0.83 C ATOM 378 CD LYS A 27 -5.033 11.149 3.350 1.00 1.53 C ATOM 379 CE LYS A 27 -5.533 11.943 2.158 1.00 2.02 C ATOM 380 NZ LYS A 27 -6.182 13.211 2.544 1.00 2.83 N ATOM 0 H LYS A 27 -6.576 7.292 4.580 1.00 0.49 H new ATOM 0 HA LYS A 27 -4.163 8.926 4.051 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -6.434 9.409 5.977 1.00 0.65 H new ATOM 0 HB3 LYS A 27 -4.918 10.287 5.979 1.00 0.65 H new ATOM 0 HG2 LYS A 27 -6.932 10.184 3.691 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -6.629 11.551 4.744 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -4.332 11.760 3.919 1.00 1.53 H new ATOM 0 HD3 LYS A 27 -4.482 10.278 2.995 1.00 1.53 H new ATOM 0 HE2 LYS A 27 -4.696 12.157 1.493 1.00 2.02 H new ATOM 0 HE3 LYS A 27 -6.241 11.335 1.594 1.00 2.02 H new ATOM 0 HZ1 LYS A 27 -6.503 13.710 1.690 1.00 2.83 H new ATOM 0 HZ2 LYS A 27 -6.999 13.011 3.156 1.00 2.83 H new ATOM 0 HZ3 LYS A 27 -5.502 13.807 3.058 1.00 2.83 H new ATOM 394 N LEU A 28 -3.258 8.285 6.523 1.00 0.49 N ATOM 395 CA LEU A 28 -2.335 7.558 7.432 1.00 0.47 C ATOM 396 C LEU A 28 -2.993 6.556 8.400 1.00 0.50 C ATOM 397 O LEU A 28 -2.409 5.510 8.697 1.00 0.56 O ATOM 398 CB LEU A 28 -1.404 8.513 8.208 1.00 0.54 C ATOM 399 CG LEU A 28 -0.263 9.205 7.429 1.00 0.53 C ATOM 400 CD1 LEU A 28 0.612 8.187 6.717 1.00 1.07 C ATOM 401 CD2 LEU A 28 -0.778 10.261 6.466 1.00 0.99 C ATOM 0 H LEU A 28 -3.115 9.295 6.520 1.00 0.49 H new ATOM 0 HA LEU A 28 -1.746 6.951 6.744 1.00 0.47 H new ATOM 0 HB2 LEU A 28 -2.022 9.291 8.656 1.00 0.54 H new ATOM 0 HB3 LEU A 28 -0.956 7.950 9.027 1.00 0.54 H new ATOM 0 HG LEU A 28 0.353 9.724 8.164 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.406 8.704 6.178 1.00 1.07 H new ATOM 0 HD12 LEU A 28 1.052 7.510 7.449 1.00 1.07 H new ATOM 0 HD13 LEU A 28 0.007 7.616 6.013 1.00 1.07 H new ATOM 0 HD21 LEU A 28 0.062 10.718 5.943 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -1.447 9.797 5.741 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -1.319 11.027 7.021 1.00 0.99 H new ATOM 413 N ASP A 29 -4.186 6.837 8.861 1.00 0.56 N ATOM 414 CA ASP A 29 -4.854 5.956 9.842 1.00 0.65 C ATOM 415 C ASP A 29 -5.669 4.848 9.203 1.00 0.61 C ATOM 416 O ASP A 29 -6.415 4.151 9.884 1.00 1.03 O ATOM 417 CB ASP A 29 -5.722 6.749 10.814 1.00 0.87 C ATOM 418 CG ASP A 29 -4.918 7.489 11.848 1.00 1.73 C ATOM 419 OD1 ASP A 29 -4.304 8.515 11.506 1.00 2.47 O ATOM 420 OD2 ASP A 29 -4.871 7.053 13.020 1.00 2.34 O ATOM 0 H ASP A 29 -4.728 7.657 8.588 1.00 0.56 H new ATOM 0 HA ASP A 29 -4.045 5.480 10.396 1.00 0.65 H new ATOM 0 HB2 ASP A 29 -6.328 7.461 10.254 1.00 0.87 H new ATOM 0 HB3 ASP A 29 -6.411 6.069 11.315 1.00 0.87 H new ATOM 425 N LYS A 30 -5.520 4.672 7.923 1.00 0.43 N ATOM 426 CA LYS A 30 -6.224 3.631 7.201 1.00 0.39 C ATOM 427 C LYS A 30 -5.384 2.361 7.094 1.00 0.38 C ATOM 428 O LYS A 30 -4.190 2.424 6.842 1.00 0.57 O ATOM 429 CB LYS A 30 -6.583 4.136 5.802 1.00 0.44 C ATOM 430 CG LYS A 30 -7.680 5.189 5.776 1.00 0.51 C ATOM 431 CD LYS A 30 -9.048 4.542 5.746 1.00 0.75 C ATOM 432 CE LYS A 30 -10.170 5.557 5.774 1.00 0.98 C ATOM 433 NZ LYS A 30 -11.444 4.963 5.319 1.00 1.06 N ATOM 0 H LYS A 30 -4.907 5.243 7.341 1.00 0.43 H new ATOM 0 HA LYS A 30 -7.132 3.386 7.752 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -5.688 4.550 5.338 1.00 0.44 H new ATOM 0 HB3 LYS A 30 -6.895 3.288 5.192 1.00 0.44 H new ATOM 0 HG2 LYS A 30 -7.595 5.830 6.654 1.00 0.51 H new ATOM 0 HG3 LYS A 30 -7.556 5.828 4.902 1.00 0.51 H new ATOM 0 HD2 LYS A 30 -9.138 3.931 4.848 1.00 0.75 H new ATOM 0 HD3 LYS A 30 -9.148 3.871 6.599 1.00 0.75 H new ATOM 0 HE2 LYS A 30 -10.288 5.944 6.786 1.00 0.98 H new ATOM 0 HE3 LYS A 30 -9.913 6.404 5.137 1.00 0.98 H new ATOM 0 HZ1 LYS A 30 -12.204 5.669 5.398 1.00 1.06 H new ATOM 0 HZ2 LYS A 30 -11.352 4.662 4.328 1.00 1.06 H new ATOM 0 HZ3 LYS A 30 -11.674 4.139 5.911 1.00 1.06 H new ATOM 447 N SER A 31 -6.005 1.237 7.345 1.00 0.46 N ATOM 448 CA SER A 31 -5.427 -0.064 7.141 1.00 0.44 C ATOM 449 C SER A 31 -6.178 -0.688 5.985 1.00 0.45 C ATOM 450 O SER A 31 -7.385 -0.414 5.820 1.00 0.57 O ATOM 451 CB SER A 31 -5.521 -0.908 8.419 1.00 0.49 C ATOM 452 OG SER A 31 -5.080 -2.234 8.209 1.00 1.31 O ATOM 0 H SER A 31 -6.957 1.202 7.709 1.00 0.46 H new ATOM 0 HA SER A 31 -4.364 0.000 6.908 1.00 0.44 H new ATOM 0 HB2 SER A 31 -4.922 -0.446 9.204 1.00 0.49 H new ATOM 0 HB3 SER A 31 -6.553 -0.920 8.771 1.00 0.49 H new ATOM 0 HG SER A 31 -5.705 -2.858 8.633 1.00 1.31 H new ATOM 458 N PHE A 32 -5.529 -1.562 5.239 1.00 0.41 N ATOM 459 CA PHE A 32 -6.050 -1.990 3.951 1.00 0.46 C ATOM 460 C PHE A 32 -7.301 -2.817 4.016 1.00 0.55 C ATOM 461 O PHE A 32 -8.175 -2.655 3.208 1.00 1.03 O ATOM 462 CB PHE A 32 -4.981 -2.661 3.103 1.00 0.51 C ATOM 463 CG PHE A 32 -3.925 -1.718 2.579 1.00 0.50 C ATOM 464 CD1 PHE A 32 -2.877 -1.305 3.379 1.00 0.52 C ATOM 465 CD2 PHE A 32 -3.977 -1.269 1.268 1.00 0.55 C ATOM 466 CE1 PHE A 32 -1.899 -0.467 2.887 1.00 0.58 C ATOM 467 CE2 PHE A 32 -3.003 -0.425 0.770 1.00 0.59 C ATOM 468 CZ PHE A 32 -1.963 -0.026 1.581 1.00 0.60 C ATOM 0 H PHE A 32 -4.641 -1.990 5.501 1.00 0.41 H new ATOM 0 HA PHE A 32 -6.352 -1.066 3.459 1.00 0.46 H new ATOM 0 HB2 PHE A 32 -4.497 -3.437 3.696 1.00 0.51 H new ATOM 0 HB3 PHE A 32 -5.461 -3.157 2.259 1.00 0.51 H new ATOM 0 HD1 PHE A 32 -2.823 -1.643 4.403 1.00 0.52 H new ATOM 0 HD2 PHE A 32 -4.789 -1.583 0.628 1.00 0.55 H new ATOM 0 HE1 PHE A 32 -1.084 -0.156 3.523 1.00 0.58 H new ATOM 0 HE2 PHE A 32 -3.057 -0.079 -0.252 1.00 0.59 H new ATOM 0 HZ PHE A 32 -1.198 0.632 1.195 1.00 0.60 H new ATOM 478 N THR A 33 -7.427 -3.638 4.981 1.00 0.47 N ATOM 479 CA THR A 33 -8.568 -4.506 5.011 1.00 0.50 C ATOM 480 C THR A 33 -9.280 -4.362 6.352 1.00 0.60 C ATOM 481 O THR A 33 -9.898 -5.291 6.904 1.00 1.13 O ATOM 482 CB THR A 33 -8.114 -5.955 4.707 1.00 0.65 C ATOM 483 OG1 THR A 33 -9.192 -6.895 4.729 1.00 1.37 O ATOM 484 CG2 THR A 33 -7.005 -6.404 5.654 1.00 1.21 C ATOM 0 H THR A 33 -6.774 -3.740 5.758 1.00 0.47 H new ATOM 0 HA THR A 33 -9.290 -4.232 4.242 1.00 0.50 H new ATOM 0 HB THR A 33 -7.723 -5.936 3.690 1.00 0.65 H new ATOM 0 HG1 THR A 33 -9.736 -6.750 5.531 1.00 1.37 H new ATOM 0 HG21 THR A 33 -6.711 -7.425 5.412 1.00 1.21 H new ATOM 0 HG22 THR A 33 -6.145 -5.743 5.546 1.00 1.21 H new ATOM 0 HG23 THR A 33 -7.366 -6.364 6.682 1.00 1.21 H new ATOM 492 N ASP A 34 -9.250 -3.157 6.829 1.00 0.55 N ATOM 493 CA ASP A 34 -9.858 -2.823 8.088 1.00 0.60 C ATOM 494 C ASP A 34 -10.587 -1.523 7.907 1.00 0.58 C ATOM 495 O ASP A 34 -11.804 -1.457 7.966 1.00 0.75 O ATOM 496 CB ASP A 34 -8.790 -2.652 9.188 1.00 0.72 C ATOM 497 CG ASP A 34 -7.888 -3.858 9.396 1.00 1.46 C ATOM 498 OD1 ASP A 34 -6.914 -4.020 8.627 1.00 2.31 O ATOM 499 OD2 ASP A 34 -8.112 -4.643 10.348 1.00 1.58 O ATOM 0 H ASP A 34 -8.802 -2.371 6.358 1.00 0.55 H new ATOM 0 HA ASP A 34 -10.534 -3.622 8.392 1.00 0.60 H new ATOM 0 HB2 ASP A 34 -8.170 -1.791 8.941 1.00 0.72 H new ATOM 0 HB3 ASP A 34 -9.291 -2.425 10.129 1.00 0.72 H new ATOM 504 N ASP A 35 -9.832 -0.492 7.614 1.00 0.48 N ATOM 505 CA ASP A 35 -10.390 0.843 7.429 1.00 0.50 C ATOM 506 C ASP A 35 -10.757 1.072 6.005 1.00 0.56 C ATOM 507 O ASP A 35 -11.522 1.990 5.692 1.00 0.86 O ATOM 508 CB ASP A 35 -9.393 1.913 7.809 1.00 0.47 C ATOM 509 CG ASP A 35 -8.989 1.881 9.247 1.00 0.99 C ATOM 510 OD1 ASP A 35 -8.036 1.145 9.584 1.00 1.47 O ATOM 511 OD2 ASP A 35 -9.604 2.604 10.057 1.00 1.67 O ATOM 0 H ASP A 35 -8.820 -0.544 7.496 1.00 0.48 H new ATOM 0 HA ASP A 35 -11.270 0.902 8.069 1.00 0.50 H new ATOM 0 HB2 ASP A 35 -8.503 1.803 7.189 1.00 0.47 H new ATOM 0 HB3 ASP A 35 -9.820 2.890 7.583 1.00 0.47 H new ATOM 516 N LEU A 36 -10.178 0.294 5.130 1.00 0.44 N ATOM 517 CA LEU A 36 -10.441 0.440 3.744 1.00 0.49 C ATOM 518 C LEU A 36 -11.584 -0.439 3.310 1.00 0.53 C ATOM 519 O LEU A 36 -11.824 -1.515 3.873 1.00 0.64 O ATOM 520 CB LEU A 36 -9.188 0.234 2.899 1.00 0.51 C ATOM 521 CG LEU A 36 -8.108 1.301 3.050 1.00 0.59 C ATOM 522 CD1 LEU A 36 -6.955 1.040 2.095 1.00 0.65 C ATOM 523 CD2 LEU A 36 -8.699 2.650 2.753 1.00 0.69 C ATOM 0 H LEU A 36 -9.519 -0.448 5.365 1.00 0.44 H new ATOM 0 HA LEU A 36 -10.752 1.471 3.575 1.00 0.49 H new ATOM 0 HB2 LEU A 36 -8.755 -0.734 3.153 1.00 0.51 H new ATOM 0 HB3 LEU A 36 -9.482 0.186 1.851 1.00 0.51 H new ATOM 0 HG LEU A 36 -7.730 1.271 4.072 1.00 0.59 H new ATOM 0 HD11 LEU A 36 -6.197 1.813 2.220 1.00 0.65 H new ATOM 0 HD12 LEU A 36 -6.518 0.065 2.310 1.00 0.65 H new ATOM 0 HD13 LEU A 36 -7.322 1.055 1.069 1.00 0.65 H new ATOM 0 HD21 LEU A 36 -7.930 3.415 2.860 1.00 0.69 H new ATOM 0 HD22 LEU A 36 -9.084 2.662 1.733 1.00 0.69 H new ATOM 0 HD23 LEU A 36 -9.512 2.853 3.450 1.00 0.69 H new ATOM 535 N ASP A 37 -12.243 0.007 2.294 1.00 0.63 N ATOM 536 CA ASP A 37 -13.489 -0.589 1.794 1.00 0.76 C ATOM 537 C ASP A 37 -13.198 -1.472 0.626 1.00 0.78 C ATOM 538 O ASP A 37 -13.973 -1.544 -0.329 1.00 1.33 O ATOM 539 CB ASP A 37 -14.463 0.515 1.336 1.00 1.14 C ATOM 540 CG ASP A 37 -14.926 1.421 2.441 1.00 1.49 C ATOM 541 OD1 ASP A 37 -15.917 1.097 3.122 1.00 1.96 O ATOM 542 OD2 ASP A 37 -14.297 2.478 2.668 1.00 2.15 O ATOM 0 H ASP A 37 -11.941 0.819 1.756 1.00 0.63 H new ATOM 0 HA ASP A 37 -13.938 -1.168 2.601 1.00 0.76 H new ATOM 0 HB2 ASP A 37 -13.978 1.116 0.567 1.00 1.14 H new ATOM 0 HB3 ASP A 37 -15.333 0.048 0.875 1.00 1.14 H new ATOM 547 N VAL A 38 -12.115 -2.161 0.693 1.00 0.65 N ATOM 548 CA VAL A 38 -11.699 -2.958 -0.383 1.00 0.96 C ATOM 549 C VAL A 38 -11.926 -4.436 -0.094 1.00 0.89 C ATOM 550 O VAL A 38 -12.623 -4.811 0.867 1.00 1.43 O ATOM 551 CB VAL A 38 -10.201 -2.694 -0.680 1.00 1.60 C ATOM 552 CG1 VAL A 38 -9.955 -1.218 -0.888 1.00 2.23 C ATOM 553 CG2 VAL A 38 -9.297 -3.223 0.426 1.00 2.14 C ATOM 0 H VAL A 38 -11.496 -2.182 1.504 1.00 0.65 H new ATOM 0 HA VAL A 38 -12.294 -2.693 -1.257 1.00 0.96 H new ATOM 0 HB VAL A 38 -9.954 -3.233 -1.595 1.00 1.60 H new ATOM 0 HG11 VAL A 38 -8.898 -1.051 -1.095 1.00 2.23 H new ATOM 0 HG12 VAL A 38 -10.550 -0.865 -1.730 1.00 2.23 H new ATOM 0 HG13 VAL A 38 -10.239 -0.672 0.011 1.00 2.23 H new ATOM 0 HG21 VAL A 38 -8.257 -3.016 0.176 1.00 2.14 H new ATOM 0 HG22 VAL A 38 -9.548 -2.733 1.367 1.00 2.14 H new ATOM 0 HG23 VAL A 38 -9.438 -4.299 0.528 1.00 2.14 H new ATOM 563 N ASP A 39 -11.379 -5.243 -0.937 1.00 0.82 N ATOM 564 CA ASP A 39 -11.283 -6.653 -0.746 1.00 1.15 C ATOM 565 C ASP A 39 -9.828 -6.930 -0.663 1.00 1.18 C ATOM 566 O ASP A 39 -9.098 -6.624 -1.596 1.00 2.04 O ATOM 567 CB ASP A 39 -11.889 -7.437 -1.923 1.00 1.60 C ATOM 568 CG ASP A 39 -13.390 -7.351 -1.998 1.00 2.37 C ATOM 569 OD1 ASP A 39 -13.928 -6.386 -2.584 1.00 2.96 O ATOM 570 OD2 ASP A 39 -14.066 -8.269 -1.472 1.00 2.78 O ATOM 0 H ASP A 39 -10.969 -4.927 -1.816 1.00 0.82 H new ATOM 0 HA ASP A 39 -11.832 -6.962 0.144 1.00 1.15 H new ATOM 0 HB2 ASP A 39 -11.465 -7.062 -2.855 1.00 1.60 H new ATOM 0 HB3 ASP A 39 -11.598 -8.484 -1.839 1.00 1.60 H new ATOM 575 N SER A 40 -9.389 -7.455 0.437 1.00 0.85 N ATOM 576 CA SER A 40 -7.980 -7.701 0.666 1.00 0.86 C ATOM 577 C SER A 40 -7.357 -8.605 -0.392 1.00 0.74 C ATOM 578 O SER A 40 -6.231 -8.402 -0.801 1.00 0.81 O ATOM 579 CB SER A 40 -7.799 -8.253 2.039 1.00 1.19 C ATOM 580 OG SER A 40 -8.695 -9.388 2.230 1.00 1.18 O ATOM 0 H SER A 40 -9.992 -7.730 1.212 1.00 0.85 H new ATOM 0 HA SER A 40 -7.450 -6.752 0.583 1.00 0.86 H new ATOM 0 HB2 SER A 40 -6.765 -8.565 2.184 1.00 1.19 H new ATOM 0 HB3 SER A 40 -8.007 -7.483 2.782 1.00 1.19 H new ATOM 0 HG SER A 40 -8.575 -9.752 3.132 1.00 1.18 H new ATOM 585 N LEU A 41 -8.133 -9.533 -0.900 1.00 0.71 N ATOM 586 CA LEU A 41 -7.662 -10.460 -1.934 1.00 0.70 C ATOM 587 C LEU A 41 -7.240 -9.685 -3.204 1.00 0.65 C ATOM 588 O LEU A 41 -6.415 -10.142 -3.990 1.00 0.71 O ATOM 589 CB LEU A 41 -8.733 -11.526 -2.279 1.00 0.83 C ATOM 590 CG LEU A 41 -9.103 -12.579 -1.197 1.00 1.01 C ATOM 591 CD1 LEU A 41 -9.765 -11.965 0.025 1.00 1.29 C ATOM 592 CD2 LEU A 41 -9.999 -13.643 -1.788 1.00 1.34 C ATOM 0 H LEU A 41 -9.103 -9.677 -0.619 1.00 0.71 H new ATOM 0 HA LEU A 41 -6.793 -10.984 -1.536 1.00 0.70 H new ATOM 0 HB2 LEU A 41 -9.647 -11.001 -2.557 1.00 0.83 H new ATOM 0 HB3 LEU A 41 -8.393 -12.064 -3.164 1.00 0.83 H new ATOM 0 HG LEU A 41 -8.167 -13.026 -0.862 1.00 1.01 H new ATOM 0 HD11 LEU A 41 -10.000 -12.749 0.744 1.00 1.29 H new ATOM 0 HD12 LEU A 41 -9.087 -11.244 0.482 1.00 1.29 H new ATOM 0 HD13 LEU A 41 -10.684 -11.460 -0.274 1.00 1.29 H new ATOM 0 HD21 LEU A 41 -10.251 -14.374 -1.020 1.00 1.34 H new ATOM 0 HD22 LEU A 41 -10.913 -13.182 -2.164 1.00 1.34 H new ATOM 0 HD23 LEU A 41 -9.481 -14.141 -2.607 1.00 1.34 H new ATOM 604 N SER A 42 -7.775 -8.484 -3.340 1.00 0.65 N ATOM 605 CA SER A 42 -7.494 -7.604 -4.445 1.00 0.66 C ATOM 606 C SER A 42 -6.206 -6.788 -4.200 1.00 0.50 C ATOM 607 O SER A 42 -5.619 -6.235 -5.132 1.00 0.47 O ATOM 608 CB SER A 42 -8.643 -6.645 -4.567 1.00 0.84 C ATOM 609 OG SER A 42 -9.895 -7.317 -4.724 1.00 1.26 O ATOM 0 H SER A 42 -8.431 -8.091 -2.666 1.00 0.65 H new ATOM 0 HA SER A 42 -7.359 -8.199 -5.348 1.00 0.66 H new ATOM 0 HB2 SER A 42 -8.681 -6.012 -3.680 1.00 0.84 H new ATOM 0 HB3 SER A 42 -8.476 -5.988 -5.420 1.00 0.84 H new ATOM 0 HG SER A 42 -10.614 -6.656 -4.798 1.00 1.26 H new ATOM 615 N MET A 43 -5.765 -6.716 -2.941 1.00 0.45 N ATOM 616 CA MET A 43 -4.608 -5.893 -2.587 1.00 0.35 C ATOM 617 C MET A 43 -3.329 -6.483 -3.163 1.00 0.30 C ATOM 618 O MET A 43 -2.327 -5.800 -3.289 1.00 0.27 O ATOM 619 CB MET A 43 -4.447 -5.688 -1.082 1.00 0.39 C ATOM 620 CG MET A 43 -3.439 -4.585 -0.756 1.00 0.47 C ATOM 621 SD MET A 43 -2.892 -4.569 0.945 1.00 0.97 S ATOM 622 CE MET A 43 -1.952 -6.086 0.998 1.00 0.54 C ATOM 0 H MET A 43 -6.188 -7.213 -2.157 1.00 0.45 H new ATOM 0 HA MET A 43 -4.794 -4.913 -3.025 1.00 0.35 H new ATOM 0 HB2 MET A 43 -5.413 -5.436 -0.646 1.00 0.39 H new ATOM 0 HB3 MET A 43 -4.123 -6.622 -0.622 1.00 0.39 H new ATOM 0 HG2 MET A 43 -2.570 -4.700 -1.404 1.00 0.47 H new ATOM 0 HG3 MET A 43 -3.886 -3.619 -0.991 1.00 0.47 H new ATOM 0 HE1 MET A 43 -1.240 -6.044 1.822 1.00 0.54 H new ATOM 0 HE2 MET A 43 -2.628 -6.928 1.145 1.00 0.54 H new ATOM 0 HE3 MET A 43 -1.413 -6.213 0.059 1.00 0.54 H new ATOM 632 N VAL A 44 -3.368 -7.756 -3.469 1.00 0.36 N ATOM 633 CA VAL A 44 -2.234 -8.459 -4.070 1.00 0.39 C ATOM 634 C VAL A 44 -1.779 -7.723 -5.350 1.00 0.37 C ATOM 635 O VAL A 44 -0.586 -7.431 -5.513 1.00 0.42 O ATOM 636 CB VAL A 44 -2.595 -9.937 -4.377 1.00 0.54 C ATOM 637 CG1 VAL A 44 -1.404 -10.674 -4.981 1.00 0.65 C ATOM 638 CG2 VAL A 44 -3.061 -10.638 -3.103 1.00 0.57 C ATOM 0 H VAL A 44 -4.185 -8.347 -3.312 1.00 0.36 H new ATOM 0 HA VAL A 44 -1.409 -8.464 -3.358 1.00 0.39 H new ATOM 0 HB VAL A 44 -3.406 -9.948 -5.105 1.00 0.54 H new ATOM 0 HG11 VAL A 44 -1.682 -11.708 -5.187 1.00 0.65 H new ATOM 0 HG12 VAL A 44 -1.107 -10.186 -5.909 1.00 0.65 H new ATOM 0 HG13 VAL A 44 -0.571 -10.656 -4.279 1.00 0.65 H new ATOM 0 HG21 VAL A 44 -3.312 -11.674 -3.329 1.00 0.57 H new ATOM 0 HG22 VAL A 44 -2.263 -10.611 -2.361 1.00 0.57 H new ATOM 0 HG23 VAL A 44 -3.941 -10.129 -2.709 1.00 0.57 H new ATOM 648 N GLU A 45 -2.732 -7.390 -6.229 1.00 0.37 N ATOM 649 CA GLU A 45 -2.421 -6.605 -7.427 1.00 0.38 C ATOM 650 C GLU A 45 -1.911 -5.215 -7.062 1.00 0.31 C ATOM 651 O GLU A 45 -1.098 -4.635 -7.776 1.00 0.37 O ATOM 652 CB GLU A 45 -3.624 -6.472 -8.352 1.00 0.46 C ATOM 653 CG GLU A 45 -4.031 -7.749 -9.046 1.00 0.64 C ATOM 654 CD GLU A 45 -5.156 -7.522 -10.016 1.00 1.21 C ATOM 655 OE1 GLU A 45 -4.917 -6.938 -11.096 1.00 1.31 O ATOM 656 OE2 GLU A 45 -6.294 -7.910 -9.724 1.00 2.06 O ATOM 0 H GLU A 45 -3.714 -7.649 -6.134 1.00 0.37 H new ATOM 0 HA GLU A 45 -1.637 -7.149 -7.955 1.00 0.38 H new ATOM 0 HB2 GLU A 45 -4.471 -6.103 -7.773 1.00 0.46 H new ATOM 0 HB3 GLU A 45 -3.402 -5.719 -9.108 1.00 0.46 H new ATOM 0 HG2 GLU A 45 -3.173 -8.165 -9.575 1.00 0.64 H new ATOM 0 HG3 GLU A 45 -4.335 -8.486 -8.303 1.00 0.64 H new ATOM 663 N VAL A 46 -2.371 -4.711 -5.942 1.00 0.30 N ATOM 664 CA VAL A 46 -1.985 -3.400 -5.463 1.00 0.30 C ATOM 665 C VAL A 46 -0.531 -3.412 -5.008 1.00 0.29 C ATOM 666 O VAL A 46 0.256 -2.604 -5.456 1.00 0.39 O ATOM 667 CB VAL A 46 -2.895 -2.922 -4.292 1.00 0.51 C ATOM 668 CG1 VAL A 46 -2.450 -1.555 -3.773 1.00 0.91 C ATOM 669 CG2 VAL A 46 -4.351 -2.870 -4.733 1.00 1.43 C ATOM 0 H VAL A 46 -3.027 -5.199 -5.332 1.00 0.30 H new ATOM 0 HA VAL A 46 -2.104 -2.702 -6.291 1.00 0.30 H new ATOM 0 HB VAL A 46 -2.801 -3.642 -3.479 1.00 0.51 H new ATOM 0 HG11 VAL A 46 -3.102 -1.246 -2.956 1.00 0.91 H new ATOM 0 HG12 VAL A 46 -1.423 -1.619 -3.413 1.00 0.91 H new ATOM 0 HG13 VAL A 46 -2.507 -0.824 -4.579 1.00 0.91 H new ATOM 0 HG21 VAL A 46 -4.971 -2.534 -3.902 1.00 1.43 H new ATOM 0 HG22 VAL A 46 -4.454 -2.175 -5.567 1.00 1.43 H new ATOM 0 HG23 VAL A 46 -4.672 -3.863 -5.047 1.00 1.43 H new ATOM 679 N VAL A 47 -0.184 -4.336 -4.124 1.00 0.28 N ATOM 680 CA VAL A 47 1.167 -4.397 -3.584 1.00 0.33 C ATOM 681 C VAL A 47 2.221 -4.664 -4.674 1.00 0.31 C ATOM 682 O VAL A 47 3.284 -4.052 -4.663 1.00 0.35 O ATOM 683 CB VAL A 47 1.311 -5.386 -2.377 1.00 0.41 C ATOM 684 CG1 VAL A 47 1.010 -6.828 -2.757 1.00 0.39 C ATOM 685 CG2 VAL A 47 2.690 -5.267 -1.742 1.00 0.53 C ATOM 0 H VAL A 47 -0.817 -5.052 -3.766 1.00 0.28 H new ATOM 0 HA VAL A 47 1.364 -3.403 -3.182 1.00 0.33 H new ATOM 0 HB VAL A 47 0.560 -5.095 -1.642 1.00 0.41 H new ATOM 0 HG11 VAL A 47 1.126 -7.467 -1.881 1.00 0.39 H new ATOM 0 HG12 VAL A 47 -0.013 -6.901 -3.127 1.00 0.39 H new ATOM 0 HG13 VAL A 47 1.701 -7.151 -3.536 1.00 0.39 H new ATOM 0 HG21 VAL A 47 2.767 -5.963 -0.906 1.00 0.53 H new ATOM 0 HG22 VAL A 47 3.453 -5.504 -2.483 1.00 0.53 H new ATOM 0 HG23 VAL A 47 2.838 -4.249 -1.381 1.00 0.53 H new ATOM 695 N VAL A 48 1.900 -5.513 -5.650 1.00 0.29 N ATOM 696 CA VAL A 48 2.850 -5.782 -6.727 1.00 0.31 C ATOM 697 C VAL A 48 2.992 -4.545 -7.643 1.00 0.29 C ATOM 698 O VAL A 48 4.065 -4.270 -8.197 1.00 0.35 O ATOM 699 CB VAL A 48 2.503 -7.077 -7.543 1.00 0.37 C ATOM 700 CG1 VAL A 48 1.178 -6.968 -8.275 1.00 0.61 C ATOM 701 CG2 VAL A 48 3.622 -7.444 -8.503 1.00 0.65 C ATOM 0 H VAL A 48 1.014 -6.014 -5.717 1.00 0.29 H new ATOM 0 HA VAL A 48 3.816 -5.979 -6.262 1.00 0.31 H new ATOM 0 HB VAL A 48 2.399 -7.881 -6.814 1.00 0.37 H new ATOM 0 HG11 VAL A 48 0.988 -7.891 -8.823 1.00 0.61 H new ATOM 0 HG12 VAL A 48 0.377 -6.802 -7.555 1.00 0.61 H new ATOM 0 HG13 VAL A 48 1.216 -6.133 -8.974 1.00 0.61 H new ATOM 0 HG21 VAL A 48 3.349 -8.345 -9.052 1.00 0.65 H new ATOM 0 HG22 VAL A 48 3.782 -6.626 -9.205 1.00 0.65 H new ATOM 0 HG23 VAL A 48 4.539 -7.625 -7.941 1.00 0.65 H new ATOM 711 N ALA A 49 1.921 -3.769 -7.738 1.00 0.28 N ATOM 712 CA ALA A 49 1.945 -2.540 -8.493 1.00 0.28 C ATOM 713 C ALA A 49 2.679 -1.478 -7.699 1.00 0.27 C ATOM 714 O ALA A 49 3.335 -0.620 -8.251 1.00 0.32 O ATOM 715 CB ALA A 49 0.542 -2.073 -8.832 1.00 0.32 C ATOM 0 H ALA A 49 1.025 -3.977 -7.297 1.00 0.28 H new ATOM 0 HA ALA A 49 2.467 -2.719 -9.433 1.00 0.28 H new ATOM 0 HB1 ALA A 49 0.595 -1.145 -9.401 1.00 0.32 H new ATOM 0 HB2 ALA A 49 0.039 -2.835 -9.427 1.00 0.32 H new ATOM 0 HB3 ALA A 49 -0.017 -1.903 -7.912 1.00 0.32 H new ATOM 721 N ALA A 50 2.583 -1.562 -6.396 1.00 0.27 N ATOM 722 CA ALA A 50 3.265 -0.642 -5.520 1.00 0.30 C ATOM 723 C ALA A 50 4.769 -0.763 -5.710 1.00 0.29 C ATOM 724 O ALA A 50 5.467 0.238 -5.776 1.00 0.32 O ATOM 725 CB ALA A 50 2.867 -0.872 -4.064 1.00 0.36 C ATOM 0 H ALA A 50 2.030 -2.270 -5.912 1.00 0.27 H new ATOM 0 HA ALA A 50 2.966 0.374 -5.779 1.00 0.30 H new ATOM 0 HB1 ALA A 50 3.396 -0.164 -3.426 1.00 0.36 H new ATOM 0 HB2 ALA A 50 1.792 -0.727 -3.953 1.00 0.36 H new ATOM 0 HB3 ALA A 50 3.128 -1.889 -3.772 1.00 0.36 H new ATOM 731 N GLU A 51 5.246 -1.993 -5.851 1.00 0.32 N ATOM 732 CA GLU A 51 6.658 -2.256 -6.088 1.00 0.39 C ATOM 733 C GLU A 51 7.169 -1.500 -7.317 1.00 0.39 C ATOM 734 O GLU A 51 8.131 -0.729 -7.232 1.00 0.47 O ATOM 735 CB GLU A 51 6.903 -3.746 -6.275 1.00 0.49 C ATOM 736 CG GLU A 51 6.388 -4.590 -5.140 1.00 0.36 C ATOM 737 CD GLU A 51 6.830 -6.018 -5.255 1.00 0.44 C ATOM 738 OE1 GLU A 51 7.923 -6.367 -4.794 1.00 0.78 O ATOM 739 OE2 GLU A 51 6.081 -6.836 -5.812 1.00 0.70 O ATOM 0 H GLU A 51 4.668 -2.832 -5.805 1.00 0.32 H new ATOM 0 HA GLU A 51 7.204 -1.906 -5.212 1.00 0.39 H new ATOM 0 HB2 GLU A 51 6.429 -4.070 -7.201 1.00 0.49 H new ATOM 0 HB3 GLU A 51 7.973 -3.918 -6.388 1.00 0.49 H new ATOM 0 HG2 GLU A 51 6.738 -4.177 -4.194 1.00 0.36 H new ATOM 0 HG3 GLU A 51 5.299 -4.548 -5.122 1.00 0.36 H new ATOM 746 N GLU A 52 6.495 -1.693 -8.438 1.00 0.36 N ATOM 747 CA GLU A 52 6.893 -1.070 -9.693 1.00 0.41 C ATOM 748 C GLU A 52 6.697 0.457 -9.679 1.00 0.38 C ATOM 749 O GLU A 52 7.583 1.205 -10.089 1.00 0.47 O ATOM 750 CB GLU A 52 6.145 -1.694 -10.889 1.00 0.49 C ATOM 751 CG GLU A 52 4.634 -1.714 -10.725 1.00 0.53 C ATOM 752 CD GLU A 52 3.891 -2.008 -11.985 1.00 0.73 C ATOM 753 OE1 GLU A 52 3.671 -1.108 -12.795 1.00 0.94 O ATOM 754 OE2 GLU A 52 3.530 -3.165 -12.204 1.00 0.96 O ATOM 0 H GLU A 52 5.664 -2.280 -8.506 1.00 0.36 H new ATOM 0 HA GLU A 52 7.960 -1.262 -9.808 1.00 0.41 H new ATOM 0 HB2 GLU A 52 6.396 -1.138 -11.792 1.00 0.49 H new ATOM 0 HB3 GLU A 52 6.499 -2.715 -11.034 1.00 0.49 H new ATOM 0 HG2 GLU A 52 4.370 -2.461 -9.977 1.00 0.53 H new ATOM 0 HG3 GLU A 52 4.308 -0.748 -10.340 1.00 0.53 H new ATOM 761 N ARG A 53 5.560 0.908 -9.171 1.00 0.32 N ATOM 762 CA ARG A 53 5.211 2.324 -9.216 1.00 0.36 C ATOM 763 C ARG A 53 6.003 3.145 -8.185 1.00 0.35 C ATOM 764 O ARG A 53 6.391 4.277 -8.461 1.00 0.48 O ATOM 765 CB ARG A 53 3.689 2.525 -9.009 1.00 0.46 C ATOM 766 CG ARG A 53 2.790 1.734 -9.977 1.00 1.11 C ATOM 767 CD ARG A 53 2.950 2.131 -11.438 1.00 1.21 C ATOM 768 NE ARG A 53 2.262 1.166 -12.324 1.00 2.17 N ATOM 769 CZ ARG A 53 1.151 1.396 -13.051 1.00 2.78 C ATOM 770 NH1 ARG A 53 0.610 2.610 -13.101 1.00 2.79 N ATOM 771 NH2 ARG A 53 0.607 0.407 -13.747 1.00 3.85 N ATOM 0 H ARG A 53 4.862 0.315 -8.722 1.00 0.32 H new ATOM 0 HA ARG A 53 5.482 2.688 -10.207 1.00 0.36 H new ATOM 0 HB2 ARG A 53 3.436 2.241 -7.988 1.00 0.46 H new ATOM 0 HB3 ARG A 53 3.461 3.586 -9.110 1.00 0.46 H new ATOM 0 HG2 ARG A 53 3.010 0.671 -9.874 1.00 1.11 H new ATOM 0 HG3 ARG A 53 1.749 1.874 -9.685 1.00 1.11 H new ATOM 0 HD2 ARG A 53 2.542 3.130 -11.595 1.00 1.21 H new ATOM 0 HD3 ARG A 53 4.009 2.175 -11.694 1.00 1.21 H new ATOM 0 HE ARG A 53 2.670 0.233 -12.391 1.00 2.17 H new ATOM 0 HH11 ARG A 53 1.036 3.380 -12.585 1.00 2.79 H new ATOM 0 HH12 ARG A 53 -0.231 2.771 -13.655 1.00 2.79 H new ATOM 0 HH21 ARG A 53 1.030 -0.521 -13.730 1.00 3.85 H new ATOM 0 HH22 ARG A 53 -0.234 0.574 -14.299 1.00 3.85 H new ATOM 785 N PHE A 54 6.257 2.575 -7.014 1.00 0.29 N ATOM 786 CA PHE A 54 6.937 3.317 -5.949 1.00 0.30 C ATOM 787 C PHE A 54 8.428 3.072 -5.897 1.00 0.33 C ATOM 788 O PHE A 54 9.112 3.675 -5.079 1.00 0.40 O ATOM 789 CB PHE A 54 6.324 3.041 -4.588 1.00 0.31 C ATOM 790 CG PHE A 54 4.927 3.507 -4.502 1.00 0.30 C ATOM 791 CD1 PHE A 54 4.641 4.845 -4.450 1.00 0.35 C ATOM 792 CD2 PHE A 54 3.895 2.598 -4.460 1.00 0.35 C ATOM 793 CE1 PHE A 54 3.353 5.277 -4.356 1.00 0.39 C ATOM 794 CE2 PHE A 54 2.606 3.022 -4.366 1.00 0.38 C ATOM 795 CZ PHE A 54 2.338 4.373 -4.371 1.00 0.37 C ATOM 0 H PHE A 54 6.008 1.615 -6.775 1.00 0.29 H new ATOM 0 HA PHE A 54 6.791 4.367 -6.201 1.00 0.30 H new ATOM 0 HB2 PHE A 54 6.362 1.971 -4.385 1.00 0.31 H new ATOM 0 HB3 PHE A 54 6.918 3.533 -3.817 1.00 0.31 H new ATOM 0 HD1 PHE A 54 5.445 5.565 -4.484 1.00 0.35 H new ATOM 0 HD2 PHE A 54 4.110 1.540 -4.502 1.00 0.35 H new ATOM 0 HE1 PHE A 54 3.139 6.332 -4.270 1.00 0.39 H new ATOM 0 HE2 PHE A 54 1.801 2.306 -4.288 1.00 0.38 H new ATOM 0 HZ PHE A 54 1.314 4.717 -4.387 1.00 0.37 H new ATOM 805 N ASP A 55 8.926 2.204 -6.770 1.00 0.36 N ATOM 806 CA ASP A 55 10.381 1.921 -6.886 1.00 0.44 C ATOM 807 C ASP A 55 10.886 1.194 -5.653 1.00 0.46 C ATOM 808 O ASP A 55 12.041 1.364 -5.242 1.00 0.77 O ATOM 809 CB ASP A 55 11.211 3.224 -7.087 1.00 0.53 C ATOM 810 CG ASP A 55 10.743 4.069 -8.238 1.00 1.14 C ATOM 811 OD1 ASP A 55 10.989 3.694 -9.413 1.00 1.23 O ATOM 812 OD2 ASP A 55 10.141 5.139 -7.999 1.00 1.95 O ATOM 0 H ASP A 55 8.349 1.671 -7.421 1.00 0.36 H new ATOM 0 HA ASP A 55 10.512 1.289 -7.764 1.00 0.44 H new ATOM 0 HB2 ASP A 55 11.168 3.816 -6.173 1.00 0.53 H new ATOM 0 HB3 ASP A 55 12.256 2.957 -7.245 1.00 0.53 H new ATOM 817 N VAL A 56 10.051 0.366 -5.086 1.00 0.35 N ATOM 818 CA VAL A 56 10.395 -0.362 -3.890 1.00 0.40 C ATOM 819 C VAL A 56 9.771 -1.739 -3.907 1.00 0.52 C ATOM 820 O VAL A 56 8.562 -1.889 -3.895 1.00 1.14 O ATOM 821 CB VAL A 56 9.973 0.411 -2.601 1.00 0.55 C ATOM 822 CG1 VAL A 56 8.487 0.760 -2.579 1.00 1.00 C ATOM 823 CG2 VAL A 56 10.337 -0.374 -1.356 1.00 1.37 C ATOM 0 H VAL A 56 9.113 0.176 -5.438 1.00 0.35 H new ATOM 0 HA VAL A 56 11.480 -0.467 -3.872 1.00 0.40 H new ATOM 0 HB VAL A 56 10.527 1.350 -2.613 1.00 0.55 H new ATOM 0 HG11 VAL A 56 8.253 1.296 -1.659 1.00 1.00 H new ATOM 0 HG12 VAL A 56 8.248 1.389 -3.437 1.00 1.00 H new ATOM 0 HG13 VAL A 56 7.897 -0.156 -2.625 1.00 1.00 H new ATOM 0 HG21 VAL A 56 10.033 0.185 -0.471 1.00 1.37 H new ATOM 0 HG22 VAL A 56 9.826 -1.337 -1.370 1.00 1.37 H new ATOM 0 HG23 VAL A 56 11.415 -0.536 -1.330 1.00 1.37 H new ATOM 833 N LYS A 57 10.586 -2.733 -4.001 1.00 0.41 N ATOM 834 CA LYS A 57 10.079 -4.065 -3.950 1.00 0.40 C ATOM 835 C LYS A 57 9.784 -4.477 -2.536 1.00 0.45 C ATOM 836 O LYS A 57 10.587 -4.257 -1.607 1.00 0.67 O ATOM 837 CB LYS A 57 10.920 -5.072 -4.713 1.00 0.57 C ATOM 838 CG LYS A 57 10.752 -4.931 -6.217 1.00 1.30 C ATOM 839 CD LYS A 57 11.413 -6.057 -6.986 1.00 1.77 C ATOM 840 CE LYS A 57 10.892 -7.439 -6.575 1.00 2.45 C ATOM 841 NZ LYS A 57 9.419 -7.571 -6.691 1.00 3.34 N ATOM 0 H LYS A 57 11.597 -2.653 -4.113 1.00 0.41 H new ATOM 0 HA LYS A 57 9.130 -4.060 -4.486 1.00 0.40 H new ATOM 0 HB2 LYS A 57 11.970 -4.940 -4.452 1.00 0.57 H new ATOM 0 HB3 LYS A 57 10.641 -6.081 -4.410 1.00 0.57 H new ATOM 0 HG2 LYS A 57 9.690 -4.905 -6.459 1.00 1.30 H new ATOM 0 HG3 LYS A 57 11.175 -3.979 -6.538 1.00 1.30 H new ATOM 0 HD2 LYS A 57 11.243 -5.912 -8.053 1.00 1.77 H new ATOM 0 HD3 LYS A 57 12.491 -6.017 -6.826 1.00 1.77 H new ATOM 0 HE2 LYS A 57 11.368 -8.198 -7.196 1.00 2.45 H new ATOM 0 HE3 LYS A 57 11.187 -7.639 -5.545 1.00 2.45 H new ATOM 0 HZ1 LYS A 57 9.178 -8.548 -6.953 1.00 3.34 H new ATOM 0 HZ2 LYS A 57 8.977 -7.338 -5.779 1.00 3.34 H new ATOM 0 HZ3 LYS A 57 9.069 -6.920 -7.422 1.00 3.34 H new ATOM 855 N ILE A 58 8.629 -5.040 -2.372 1.00 0.36 N ATOM 856 CA ILE A 58 8.094 -5.368 -1.087 1.00 0.42 C ATOM 857 C ILE A 58 7.639 -6.819 -1.119 1.00 0.46 C ATOM 858 O ILE A 58 6.642 -7.140 -1.772 1.00 0.52 O ATOM 859 CB ILE A 58 6.873 -4.452 -0.763 1.00 0.47 C ATOM 860 CG1 ILE A 58 7.250 -2.970 -0.944 1.00 0.48 C ATOM 861 CG2 ILE A 58 6.391 -4.695 0.662 1.00 0.55 C ATOM 862 CD1 ILE A 58 6.082 -2.016 -0.867 1.00 0.57 C ATOM 0 H ILE A 58 8.016 -5.291 -3.147 1.00 0.36 H new ATOM 0 HA ILE A 58 8.855 -5.220 -0.321 1.00 0.42 H new ATOM 0 HB ILE A 58 6.067 -4.697 -1.455 1.00 0.47 H new ATOM 0 HG12 ILE A 58 7.978 -2.697 -0.180 1.00 0.48 H new ATOM 0 HG13 ILE A 58 7.741 -2.848 -1.910 1.00 0.48 H new ATOM 0 HG21 ILE A 58 5.539 -4.049 0.873 1.00 0.55 H new ATOM 0 HG22 ILE A 58 6.092 -5.737 0.772 1.00 0.55 H new ATOM 0 HG23 ILE A 58 7.197 -4.473 1.362 1.00 0.55 H new ATOM 0 HD11 ILE A 58 6.437 -0.995 -1.005 1.00 0.57 H new ATOM 0 HD12 ILE A 58 5.362 -2.259 -1.649 1.00 0.57 H new ATOM 0 HD13 ILE A 58 5.603 -2.105 0.108 1.00 0.57 H new ATOM 874 N PRO A 59 8.394 -7.720 -0.477 1.00 0.47 N ATOM 875 CA PRO A 59 8.070 -9.146 -0.429 1.00 0.53 C ATOM 876 C PRO A 59 6.696 -9.398 0.190 1.00 0.53 C ATOM 877 O PRO A 59 6.433 -9.002 1.335 1.00 0.46 O ATOM 878 CB PRO A 59 9.170 -9.736 0.453 1.00 0.59 C ATOM 879 CG PRO A 59 10.284 -8.767 0.355 1.00 0.63 C ATOM 880 CD PRO A 59 9.636 -7.427 0.248 1.00 0.50 C ATOM 0 HA PRO A 59 8.026 -9.590 -1.424 1.00 0.53 H new ATOM 0 HB2 PRO A 59 8.834 -9.851 1.483 1.00 0.59 H new ATOM 0 HB3 PRO A 59 9.471 -10.724 0.104 1.00 0.59 H new ATOM 0 HG2 PRO A 59 10.930 -8.822 1.231 1.00 0.63 H new ATOM 0 HG3 PRO A 59 10.908 -8.972 -0.515 1.00 0.63 H new ATOM 0 HD2 PRO A 59 9.439 -6.994 1.229 1.00 0.50 H new ATOM 0 HD3 PRO A 59 10.262 -6.718 -0.293 1.00 0.50 H new ATOM 888 N ASP A 60 5.846 -10.078 -0.569 1.00 0.68 N ATOM 889 CA ASP A 60 4.440 -10.357 -0.209 1.00 0.77 C ATOM 890 C ASP A 60 4.261 -11.049 1.149 1.00 0.70 C ATOM 891 O ASP A 60 3.231 -10.871 1.805 1.00 0.69 O ATOM 892 CB ASP A 60 3.701 -11.119 -1.335 1.00 1.08 C ATOM 893 CG ASP A 60 4.368 -12.420 -1.747 1.00 1.50 C ATOM 894 OD1 ASP A 60 4.102 -13.470 -1.099 1.00 2.30 O ATOM 895 OD2 ASP A 60 5.168 -12.422 -2.691 1.00 1.84 O ATOM 0 H ASP A 60 6.110 -10.465 -1.475 1.00 0.68 H new ATOM 0 HA ASP A 60 3.976 -9.377 -0.097 1.00 0.77 H new ATOM 0 HB2 ASP A 60 2.684 -11.333 -1.007 1.00 1.08 H new ATOM 0 HB3 ASP A 60 3.624 -10.471 -2.208 1.00 1.08 H new ATOM 900 N ASP A 61 5.255 -11.801 1.582 1.00 0.75 N ATOM 901 CA ASP A 61 5.203 -12.454 2.895 1.00 0.85 C ATOM 902 C ASP A 61 5.286 -11.438 4.027 1.00 0.71 C ATOM 903 O ASP A 61 4.597 -11.568 5.033 1.00 0.79 O ATOM 904 CB ASP A 61 6.316 -13.495 3.053 1.00 1.13 C ATOM 905 CG ASP A 61 6.406 -14.042 4.465 1.00 1.80 C ATOM 906 OD1 ASP A 61 5.587 -14.897 4.848 1.00 2.31 O ATOM 907 OD2 ASP A 61 7.297 -13.607 5.233 1.00 2.38 O ATOM 0 H ASP A 61 6.109 -11.980 1.053 1.00 0.75 H new ATOM 0 HA ASP A 61 4.241 -12.964 2.952 1.00 0.85 H new ATOM 0 HB2 ASP A 61 6.141 -14.317 2.359 1.00 1.13 H new ATOM 0 HB3 ASP A 61 7.271 -13.045 2.780 1.00 1.13 H new ATOM 912 N ASP A 62 6.102 -10.416 3.845 1.00 0.60 N ATOM 913 CA ASP A 62 6.308 -9.395 4.885 1.00 0.62 C ATOM 914 C ASP A 62 5.116 -8.455 4.929 1.00 0.51 C ATOM 915 O ASP A 62 4.692 -8.002 6.007 1.00 0.61 O ATOM 916 CB ASP A 62 7.591 -8.602 4.620 1.00 0.74 C ATOM 917 CG ASP A 62 7.909 -7.625 5.728 1.00 0.82 C ATOM 918 OD1 ASP A 62 7.428 -6.470 5.669 1.00 1.17 O ATOM 919 OD2 ASP A 62 8.626 -7.977 6.672 1.00 1.52 O ATOM 0 H ASP A 62 6.638 -10.261 2.991 1.00 0.60 H new ATOM 0 HA ASP A 62 6.407 -9.897 5.848 1.00 0.62 H new ATOM 0 HB2 ASP A 62 8.424 -9.295 4.501 1.00 0.74 H new ATOM 0 HB3 ASP A 62 7.491 -8.060 3.680 1.00 0.74 H new ATOM 924 N VAL A 63 4.563 -8.225 3.739 1.00 0.43 N ATOM 925 CA VAL A 63 3.389 -7.373 3.507 1.00 0.46 C ATOM 926 C VAL A 63 2.257 -7.735 4.456 1.00 0.46 C ATOM 927 O VAL A 63 1.766 -6.889 5.188 1.00 0.55 O ATOM 928 CB VAL A 63 2.884 -7.561 2.044 1.00 0.53 C ATOM 929 CG1 VAL A 63 1.598 -6.797 1.786 1.00 0.79 C ATOM 930 CG2 VAL A 63 3.934 -7.118 1.063 1.00 0.73 C ATOM 0 H VAL A 63 4.928 -8.638 2.881 1.00 0.43 H new ATOM 0 HA VAL A 63 3.686 -6.338 3.679 1.00 0.46 H new ATOM 0 HB VAL A 63 2.682 -8.624 1.910 1.00 0.53 H new ATOM 0 HG11 VAL A 63 1.281 -6.955 0.755 1.00 0.79 H new ATOM 0 HG12 VAL A 63 0.821 -7.153 2.463 1.00 0.79 H new ATOM 0 HG13 VAL A 63 1.767 -5.733 1.954 1.00 0.79 H new ATOM 0 HG21 VAL A 63 3.564 -7.256 0.047 1.00 0.73 H new ATOM 0 HG22 VAL A 63 4.163 -6.065 1.226 1.00 0.73 H new ATOM 0 HG23 VAL A 63 4.837 -7.711 1.204 1.00 0.73 H new ATOM 940 N LYS A 64 1.927 -9.017 4.496 1.00 0.46 N ATOM 941 CA LYS A 64 0.767 -9.528 5.233 1.00 0.55 C ATOM 942 C LYS A 64 0.911 -9.340 6.737 1.00 0.54 C ATOM 943 O LYS A 64 -0.034 -9.524 7.496 1.00 0.63 O ATOM 944 CB LYS A 64 0.567 -11.008 4.933 1.00 0.68 C ATOM 945 CG LYS A 64 0.397 -11.341 3.466 1.00 0.77 C ATOM 946 CD LYS A 64 0.212 -12.830 3.290 1.00 0.99 C ATOM 947 CE LYS A 64 0.077 -13.229 1.832 1.00 1.17 C ATOM 948 NZ LYS A 64 -0.178 -14.679 1.705 1.00 1.24 N ATOM 0 H LYS A 64 2.458 -9.743 4.015 1.00 0.46 H new ATOM 0 HA LYS A 64 -0.099 -8.955 4.902 1.00 0.55 H new ATOM 0 HB2 LYS A 64 1.422 -11.562 5.320 1.00 0.68 H new ATOM 0 HB3 LYS A 64 -0.311 -11.359 5.475 1.00 0.68 H new ATOM 0 HG2 LYS A 64 -0.464 -10.809 3.062 1.00 0.77 H new ATOM 0 HG3 LYS A 64 1.270 -11.006 2.906 1.00 0.77 H new ATOM 0 HD2 LYS A 64 1.061 -13.353 3.730 1.00 0.99 H new ATOM 0 HD3 LYS A 64 -0.676 -13.150 3.835 1.00 0.99 H new ATOM 0 HE2 LYS A 64 -0.738 -12.670 1.372 1.00 1.17 H new ATOM 0 HE3 LYS A 64 0.987 -12.967 1.293 1.00 1.17 H new ATOM 0 HZ1 LYS A 64 -0.267 -14.929 0.699 1.00 1.24 H new ATOM 0 HZ2 LYS A 64 0.612 -15.209 2.125 1.00 1.24 H new ATOM 0 HZ3 LYS A 64 -1.059 -14.921 2.201 1.00 1.24 H new ATOM 962 N ASN A 65 2.087 -8.990 7.159 1.00 0.50 N ATOM 963 CA ASN A 65 2.367 -8.808 8.549 1.00 0.56 C ATOM 964 C ASN A 65 2.213 -7.351 8.958 1.00 0.52 C ATOM 965 O ASN A 65 2.231 -7.014 10.152 1.00 0.65 O ATOM 966 CB ASN A 65 3.743 -9.354 8.890 1.00 0.64 C ATOM 967 CG ASN A 65 3.796 -10.868 8.847 1.00 1.32 C ATOM 968 OD1 ASN A 65 4.064 -11.465 7.811 1.00 1.95 O ATOM 969 ND2 ASN A 65 3.571 -11.497 9.969 1.00 2.07 N ATOM 0 H ASN A 65 2.884 -8.822 6.545 1.00 0.50 H new ATOM 0 HA ASN A 65 1.635 -9.374 9.125 1.00 0.56 H new ATOM 0 HB2 ASN A 65 4.474 -8.948 8.191 1.00 0.64 H new ATOM 0 HB3 ASN A 65 4.029 -9.012 9.885 1.00 0.64 H new ATOM 0 HD21 ASN A 65 3.616 -12.516 10.001 1.00 2.07 H new ATOM 0 HD22 ASN A 65 3.350 -10.970 10.814 1.00 2.07 H new ATOM 976 N LEU A 66 2.031 -6.489 7.983 1.00 0.43 N ATOM 977 CA LEU A 66 1.789 -5.081 8.231 1.00 0.43 C ATOM 978 C LEU A 66 0.285 -4.868 8.314 1.00 0.43 C ATOM 979 O LEU A 66 -0.478 -5.834 8.244 1.00 0.47 O ATOM 980 CB LEU A 66 2.386 -4.213 7.114 1.00 0.44 C ATOM 981 CG LEU A 66 3.907 -4.249 6.949 1.00 0.50 C ATOM 982 CD1 LEU A 66 4.319 -3.449 5.728 1.00 0.57 C ATOM 983 CD2 LEU A 66 4.589 -3.687 8.187 1.00 0.60 C ATOM 0 H LEU A 66 2.046 -6.742 6.995 1.00 0.43 H new ATOM 0 HA LEU A 66 2.268 -4.787 9.165 1.00 0.43 H new ATOM 0 HB2 LEU A 66 1.935 -4.517 6.170 1.00 0.44 H new ATOM 0 HB3 LEU A 66 2.088 -3.180 7.291 1.00 0.44 H new ATOM 0 HG LEU A 66 4.216 -5.286 6.817 1.00 0.50 H new ATOM 0 HD11 LEU A 66 5.403 -3.482 5.621 1.00 0.57 H new ATOM 0 HD12 LEU A 66 3.853 -3.875 4.840 1.00 0.57 H new ATOM 0 HD13 LEU A 66 3.997 -2.414 5.845 1.00 0.57 H new ATOM 0 HD21 LEU A 66 5.670 -3.720 8.053 1.00 0.60 H new ATOM 0 HD22 LEU A 66 4.273 -2.655 8.339 1.00 0.60 H new ATOM 0 HD23 LEU A 66 4.313 -4.283 9.057 1.00 0.60 H new ATOM 995 N LYS A 67 -0.148 -3.635 8.475 1.00 0.45 N ATOM 996 CA LYS A 67 -1.569 -3.355 8.572 1.00 0.50 C ATOM 997 C LYS A 67 -1.963 -1.997 8.019 1.00 0.43 C ATOM 998 O LYS A 67 -2.536 -1.921 6.927 1.00 0.52 O ATOM 999 CB LYS A 67 -2.127 -3.645 9.986 1.00 0.64 C ATOM 1000 CG LYS A 67 -1.294 -3.124 11.132 1.00 0.85 C ATOM 1001 CD LYS A 67 -1.810 -3.647 12.450 1.00 0.88 C ATOM 1002 CE LYS A 67 -0.964 -3.167 13.613 1.00 1.86 C ATOM 1003 NZ LYS A 67 -1.430 -3.733 14.891 1.00 2.69 N ATOM 0 H LYS A 67 0.456 -2.816 8.541 1.00 0.45 H new ATOM 0 HA LYS A 67 -2.063 -4.063 7.907 1.00 0.50 H new ATOM 0 HB2 LYS A 67 -3.125 -3.213 10.059 1.00 0.64 H new ATOM 0 HB3 LYS A 67 -2.237 -4.723 10.100 1.00 0.64 H new ATOM 0 HG2 LYS A 67 -0.255 -3.424 10.998 1.00 0.85 H new ATOM 0 HG3 LYS A 67 -1.313 -2.034 11.135 1.00 0.85 H new ATOM 0 HD2 LYS A 67 -2.841 -3.323 12.592 1.00 0.88 H new ATOM 0 HD3 LYS A 67 -1.818 -4.737 12.431 1.00 0.88 H new ATOM 0 HE2 LYS A 67 0.076 -3.448 13.448 1.00 1.86 H new ATOM 0 HE3 LYS A 67 -0.996 -2.079 13.663 1.00 1.86 H new ATOM 0 HZ1 LYS A 67 -0.829 -3.384 15.665 1.00 2.69 H new ATOM 0 HZ2 LYS A 67 -2.415 -3.444 15.060 1.00 2.69 H new ATOM 0 HZ3 LYS A 67 -1.375 -4.771 14.852 1.00 2.69 H new ATOM 1017 N THR A 68 -1.623 -0.927 8.701 1.00 0.37 N ATOM 1018 CA THR A 68 -2.056 0.372 8.245 1.00 0.35 C ATOM 1019 C THR A 68 -1.163 0.874 7.127 1.00 0.32 C ATOM 1020 O THR A 68 -0.085 0.310 6.872 1.00 0.33 O ATOM 1021 CB THR A 68 -2.093 1.418 9.386 1.00 0.38 C ATOM 1022 OG1 THR A 68 -0.768 1.619 9.904 1.00 0.36 O ATOM 1023 CG2 THR A 68 -2.995 0.944 10.507 1.00 0.46 C ATOM 0 H THR A 68 -1.062 -0.928 9.553 1.00 0.37 H new ATOM 0 HA THR A 68 -3.073 0.247 7.874 1.00 0.35 H new ATOM 0 HB THR A 68 -2.480 2.355 8.985 1.00 0.38 H new ATOM 0 HG1 THR A 68 -0.549 0.899 10.531 1.00 0.36 H new ATOM 0 HG21 THR A 68 -3.011 1.690 11.302 1.00 0.46 H new ATOM 0 HG22 THR A 68 -4.006 0.800 10.125 1.00 0.46 H new ATOM 0 HG23 THR A 68 -2.619 0.001 10.902 1.00 0.46 H new ATOM 1031 N VAL A 69 -1.562 1.956 6.500 1.00 0.33 N ATOM 1032 CA VAL A 69 -0.744 2.574 5.491 1.00 0.33 C ATOM 1033 C VAL A 69 0.429 3.283 6.147 1.00 0.34 C ATOM 1034 O VAL A 69 1.402 3.621 5.495 1.00 0.36 O ATOM 1035 CB VAL A 69 -1.522 3.545 4.559 1.00 0.39 C ATOM 1036 CG1 VAL A 69 -2.621 2.817 3.812 1.00 0.66 C ATOM 1037 CG2 VAL A 69 -2.100 4.700 5.333 1.00 0.56 C ATOM 0 H VAL A 69 -2.451 2.425 6.674 1.00 0.33 H new ATOM 0 HA VAL A 69 -0.384 1.773 4.845 1.00 0.33 H new ATOM 0 HB VAL A 69 -0.811 3.940 3.834 1.00 0.39 H new ATOM 0 HG11 VAL A 69 -3.150 3.519 3.167 1.00 0.66 H new ATOM 0 HG12 VAL A 69 -2.185 2.024 3.204 1.00 0.66 H new ATOM 0 HG13 VAL A 69 -3.321 2.383 4.526 1.00 0.66 H new ATOM 0 HG21 VAL A 69 -2.638 5.361 4.653 1.00 0.56 H new ATOM 0 HG22 VAL A 69 -2.786 4.323 6.091 1.00 0.56 H new ATOM 0 HG23 VAL A 69 -1.295 5.254 5.816 1.00 0.56 H new ATOM 1047 N GLY A 70 0.338 3.451 7.462 1.00 0.36 N ATOM 1048 CA GLY A 70 1.414 4.014 8.226 1.00 0.38 C ATOM 1049 C GLY A 70 2.470 2.969 8.455 1.00 0.39 C ATOM 1050 O GLY A 70 3.660 3.244 8.377 1.00 0.46 O ATOM 0 H GLY A 70 -0.483 3.199 8.013 1.00 0.36 H new ATOM 0 HA2 GLY A 70 1.841 4.867 7.698 1.00 0.38 H new ATOM 0 HA3 GLY A 70 1.041 4.384 9.181 1.00 0.38 H new ATOM 1054 N ASP A 71 2.022 1.734 8.683 1.00 0.42 N ATOM 1055 CA ASP A 71 2.955 0.610 8.874 1.00 0.50 C ATOM 1056 C ASP A 71 3.595 0.280 7.552 1.00 0.49 C ATOM 1057 O ASP A 71 4.761 -0.121 7.481 1.00 0.58 O ATOM 1058 CB ASP A 71 2.253 -0.656 9.400 1.00 0.62 C ATOM 1059 CG ASP A 71 1.515 -0.446 10.685 1.00 0.82 C ATOM 1060 OD1 ASP A 71 2.165 -0.160 11.706 1.00 1.00 O ATOM 1061 OD2 ASP A 71 0.285 -0.579 10.718 1.00 1.62 O ATOM 0 H ASP A 71 1.035 1.483 8.740 1.00 0.42 H new ATOM 0 HA ASP A 71 3.693 0.919 9.614 1.00 0.50 H new ATOM 0 HB2 ASP A 71 1.554 -1.013 8.644 1.00 0.62 H new ATOM 0 HB3 ASP A 71 2.997 -1.440 9.542 1.00 0.62 H new ATOM 1066 N ALA A 72 2.822 0.487 6.499 1.00 0.43 N ATOM 1067 CA ALA A 72 3.245 0.213 5.160 1.00 0.48 C ATOM 1068 C ALA A 72 4.306 1.196 4.751 1.00 0.44 C ATOM 1069 O ALA A 72 5.405 0.797 4.390 1.00 0.47 O ATOM 1070 CB ALA A 72 2.063 0.275 4.204 1.00 0.51 C ATOM 0 H ALA A 72 1.873 0.855 6.564 1.00 0.43 H new ATOM 0 HA ALA A 72 3.661 -0.794 5.120 1.00 0.48 H new ATOM 0 HB1 ALA A 72 2.404 0.064 3.190 1.00 0.51 H new ATOM 0 HB2 ALA A 72 1.318 -0.465 4.498 1.00 0.51 H new ATOM 0 HB3 ALA A 72 1.619 1.270 4.238 1.00 0.51 H new ATOM 1076 N THR A 73 3.987 2.486 4.864 1.00 0.40 N ATOM 1077 CA THR A 73 4.894 3.542 4.480 1.00 0.39 C ATOM 1078 C THR A 73 6.221 3.444 5.207 1.00 0.39 C ATOM 1079 O THR A 73 7.266 3.642 4.599 1.00 0.41 O ATOM 1080 CB THR A 73 4.273 4.941 4.668 1.00 0.37 C ATOM 1081 OG1 THR A 73 3.626 5.039 5.936 1.00 0.36 O ATOM 1082 CG2 THR A 73 3.300 5.271 3.553 1.00 0.46 C ATOM 0 H THR A 73 3.092 2.817 5.225 1.00 0.40 H new ATOM 0 HA THR A 73 5.085 3.405 3.416 1.00 0.39 H new ATOM 0 HB THR A 73 5.084 5.668 4.631 1.00 0.37 H new ATOM 0 HG1 THR A 73 2.689 4.766 5.847 1.00 0.36 H new ATOM 0 HG21 THR A 73 2.881 6.264 3.717 1.00 0.46 H new ATOM 0 HG22 THR A 73 3.822 5.251 2.597 1.00 0.46 H new ATOM 0 HG23 THR A 73 2.496 4.535 3.542 1.00 0.46 H new ATOM 1090 N LYS A 74 6.163 3.093 6.494 1.00 0.47 N ATOM 1091 CA LYS A 74 7.344 2.913 7.328 1.00 0.53 C ATOM 1092 C LYS A 74 8.321 1.916 6.690 1.00 0.48 C ATOM 1093 O LYS A 74 9.518 2.171 6.626 1.00 0.55 O ATOM 1094 CB LYS A 74 6.924 2.450 8.737 1.00 0.65 C ATOM 1095 CG LYS A 74 8.071 2.307 9.740 1.00 1.26 C ATOM 1096 CD LYS A 74 8.843 3.612 9.899 1.00 1.88 C ATOM 1097 CE LYS A 74 7.958 4.746 10.394 1.00 2.66 C ATOM 1098 NZ LYS A 74 8.679 6.033 10.400 1.00 3.54 N ATOM 0 H LYS A 74 5.286 2.925 6.986 1.00 0.47 H new ATOM 0 HA LYS A 74 7.861 3.869 7.414 1.00 0.53 H new ATOM 0 HB2 LYS A 74 6.200 3.160 9.135 1.00 0.65 H new ATOM 0 HB3 LYS A 74 6.415 1.490 8.651 1.00 0.65 H new ATOM 0 HG2 LYS A 74 7.673 1.999 10.707 1.00 1.26 H new ATOM 0 HG3 LYS A 74 8.749 1.520 9.409 1.00 1.26 H new ATOM 0 HD2 LYS A 74 9.665 3.463 10.599 1.00 1.88 H new ATOM 0 HD3 LYS A 74 9.285 3.890 8.942 1.00 1.88 H new ATOM 0 HE2 LYS A 74 7.076 4.825 9.758 1.00 2.66 H new ATOM 0 HE3 LYS A 74 7.606 4.521 11.401 1.00 2.66 H new ATOM 0 HZ1 LYS A 74 8.046 6.784 10.743 1.00 3.54 H new ATOM 0 HZ2 LYS A 74 9.506 5.965 11.027 1.00 3.54 H new ATOM 0 HZ3 LYS A 74 8.993 6.259 9.435 1.00 3.54 H new ATOM 1112 N TYR A 75 7.793 0.810 6.192 1.00 0.45 N ATOM 1113 CA TYR A 75 8.612 -0.193 5.525 1.00 0.44 C ATOM 1114 C TYR A 75 9.040 0.311 4.147 1.00 0.40 C ATOM 1115 O TYR A 75 10.218 0.236 3.777 1.00 0.48 O ATOM 1116 CB TYR A 75 7.834 -1.523 5.384 1.00 0.49 C ATOM 1117 CG TYR A 75 8.590 -2.614 4.631 1.00 0.50 C ATOM 1118 CD1 TYR A 75 8.511 -2.715 3.241 1.00 0.52 C ATOM 1119 CD2 TYR A 75 9.385 -3.529 5.304 1.00 0.68 C ATOM 1120 CE1 TYR A 75 9.198 -3.687 2.552 1.00 0.61 C ATOM 1121 CE2 TYR A 75 10.078 -4.509 4.620 1.00 0.77 C ATOM 1122 CZ TYR A 75 9.984 -4.583 3.246 1.00 0.69 C ATOM 1123 OH TYR A 75 10.680 -5.563 2.562 1.00 0.83 O ATOM 0 H TYR A 75 6.800 0.582 6.236 1.00 0.45 H new ATOM 0 HA TYR A 75 9.501 -0.373 6.130 1.00 0.44 H new ATOM 0 HB2 TYR A 75 7.583 -1.891 6.379 1.00 0.49 H new ATOM 0 HB3 TYR A 75 6.893 -1.328 4.870 1.00 0.49 H new ATOM 0 HD1 TYR A 75 7.897 -2.014 2.695 1.00 0.52 H new ATOM 0 HD2 TYR A 75 9.464 -3.475 6.380 1.00 0.68 H new ATOM 0 HE1 TYR A 75 9.123 -3.748 1.476 1.00 0.61 H new ATOM 0 HE2 TYR A 75 10.692 -5.215 5.160 1.00 0.77 H new ATOM 0 HH TYR A 75 11.185 -6.110 3.199 1.00 0.83 H new ATOM 1133 N ILE A 76 8.065 0.823 3.408 1.00 0.37 N ATOM 1134 CA ILE A 76 8.245 1.310 2.042 1.00 0.43 C ATOM 1135 C ILE A 76 9.384 2.318 1.945 1.00 0.52 C ATOM 1136 O ILE A 76 10.419 2.008 1.368 1.00 0.65 O ATOM 1137 CB ILE A 76 6.924 1.940 1.526 1.00 0.45 C ATOM 1138 CG1 ILE A 76 5.856 0.860 1.392 1.00 0.48 C ATOM 1139 CG2 ILE A 76 7.124 2.659 0.196 1.00 0.59 C ATOM 1140 CD1 ILE A 76 4.497 1.397 1.059 1.00 0.55 C ATOM 0 H ILE A 76 7.107 0.914 3.746 1.00 0.37 H new ATOM 0 HA ILE A 76 8.509 0.457 1.416 1.00 0.43 H new ATOM 0 HB ILE A 76 6.598 2.684 2.252 1.00 0.45 H new ATOM 0 HG12 ILE A 76 6.159 0.156 0.617 1.00 0.48 H new ATOM 0 HG13 ILE A 76 5.798 0.301 2.326 1.00 0.48 H new ATOM 0 HG21 ILE A 76 6.177 3.087 -0.132 1.00 0.59 H new ATOM 0 HG22 ILE A 76 7.858 3.455 0.320 1.00 0.59 H new ATOM 0 HG23 ILE A 76 7.480 1.950 -0.551 1.00 0.59 H new ATOM 0 HD11 ILE A 76 3.789 0.572 0.979 1.00 0.55 H new ATOM 0 HD12 ILE A 76 4.173 2.079 1.845 1.00 0.55 H new ATOM 0 HD13 ILE A 76 4.539 1.931 0.110 1.00 0.55 H new ATOM 1152 N LEU A 77 9.228 3.476 2.576 1.00 0.52 N ATOM 1153 CA LEU A 77 10.211 4.549 2.455 1.00 0.71 C ATOM 1154 C LEU A 77 11.561 4.175 3.035 1.00 0.78 C ATOM 1155 O LEU A 77 12.586 4.728 2.653 1.00 0.96 O ATOM 1156 CB LEU A 77 9.677 5.909 2.984 1.00 0.86 C ATOM 1157 CG LEU A 77 9.128 5.984 4.427 1.00 0.88 C ATOM 1158 CD1 LEU A 77 10.210 5.833 5.484 1.00 1.74 C ATOM 1159 CD2 LEU A 77 8.373 7.273 4.622 1.00 0.99 C ATOM 0 H LEU A 77 8.433 3.697 3.175 1.00 0.52 H new ATOM 0 HA LEU A 77 10.379 4.690 1.387 1.00 0.71 H new ATOM 0 HB2 LEU A 77 10.485 6.636 2.900 1.00 0.86 H new ATOM 0 HB3 LEU A 77 8.884 6.236 2.312 1.00 0.86 H new ATOM 0 HG LEU A 77 8.452 5.139 4.557 1.00 0.88 H new ATOM 0 HD11 LEU A 77 9.761 5.894 6.475 1.00 1.74 H new ATOM 0 HD12 LEU A 77 10.701 4.867 5.367 1.00 1.74 H new ATOM 0 HD13 LEU A 77 10.945 6.629 5.369 1.00 1.74 H new ATOM 0 HD21 LEU A 77 7.989 7.319 5.641 1.00 0.99 H new ATOM 0 HD22 LEU A 77 9.041 8.116 4.448 1.00 0.99 H new ATOM 0 HD23 LEU A 77 7.542 7.318 3.919 1.00 0.99 H new ATOM 1171 N ASP A 78 11.561 3.211 3.932 1.00 0.71 N ATOM 1172 CA ASP A 78 12.808 2.770 4.543 1.00 0.84 C ATOM 1173 C ASP A 78 13.595 1.912 3.568 1.00 0.94 C ATOM 1174 O ASP A 78 14.828 1.863 3.588 1.00 1.09 O ATOM 1175 CB ASP A 78 12.566 2.011 5.849 1.00 0.91 C ATOM 1176 CG ASP A 78 13.857 1.575 6.512 1.00 1.15 C ATOM 1177 OD1 ASP A 78 14.625 2.441 6.976 1.00 1.32 O ATOM 1178 OD2 ASP A 78 14.140 0.369 6.569 1.00 1.26 O ATOM 0 H ASP A 78 10.727 2.721 4.254 1.00 0.71 H new ATOM 0 HA ASP A 78 13.389 3.659 4.787 1.00 0.84 H new ATOM 0 HB2 ASP A 78 12.004 2.645 6.535 1.00 0.91 H new ATOM 0 HB3 ASP A 78 11.950 1.134 5.648 1.00 0.91 H new