USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=14 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 Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.959 K(o=-0.96,f=-2!) USER MOD Single : A 16 ASN : amide:sc= 1.03 K(o=1,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 140:sc= 1.28 (180deg=0.816) USER MOD Single : A 31 SER OG : rot -160:sc= -2.06! USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.525 USER MOD Single : A 42 SER OG : rot 68:sc= 1.06 USER MOD Single : A 43 MET CE :methyl 161:sc= -0.0448 (180deg=-0.389) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0373) USER MOD Single : A 65 ASN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 145:sc= -0.891! (180deg=-2.42!) USER MOD Single : A 68 THR OG1 : rot -71:sc= 1.58 USER MOD Single : A 73 THR OG1 : rot -84:sc= 1.12 USER MOD Single : A 74 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.014) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.426 USER MOD ----------------------------------------------------------------- ATOM 13 N ALA A 2 9.370 8.572 -3.857 1.00 1.12 N ATOM 14 CA ALA A 2 8.252 9.362 -3.387 1.00 0.91 C ATOM 15 C ALA A 2 8.427 9.600 -1.896 1.00 0.87 C ATOM 16 O ALA A 2 9.407 9.132 -1.314 1.00 1.07 O ATOM 17 CB ALA A 2 6.946 8.633 -3.670 1.00 0.92 C ATOM 0 HA ALA A 2 8.219 10.320 -3.906 1.00 0.91 H new ATOM 0 HB1 ALA A 2 6.109 9.234 -3.313 1.00 0.92 H new ATOM 0 HB2 ALA A 2 6.845 8.471 -4.743 1.00 0.92 H new ATOM 0 HB3 ALA A 2 6.947 7.672 -3.156 1.00 0.92 H new ATOM 23 N THR A 3 7.527 10.313 -1.277 1.00 0.76 N ATOM 24 CA THR A 3 7.631 10.547 0.145 1.00 0.76 C ATOM 25 C THR A 3 6.380 9.967 0.836 1.00 0.56 C ATOM 26 O THR A 3 5.517 9.500 0.140 1.00 0.48 O ATOM 27 CB THR A 3 7.889 12.056 0.448 1.00 0.97 C ATOM 28 OG1 THR A 3 8.837 12.553 -0.513 1.00 1.45 O ATOM 29 CG2 THR A 3 8.496 12.267 1.830 1.00 1.57 C ATOM 0 H THR A 3 6.718 10.741 -1.726 1.00 0.76 H new ATOM 0 HA THR A 3 8.497 10.029 0.558 1.00 0.76 H new ATOM 0 HB THR A 3 6.931 12.575 0.400 1.00 0.97 H new ATOM 0 HG1 THR A 3 9.011 13.502 -0.340 1.00 1.45 H new ATOM 0 HG21 THR A 3 8.658 13.332 1.997 1.00 1.57 H new ATOM 0 HG22 THR A 3 7.816 11.880 2.589 1.00 1.57 H new ATOM 0 HG23 THR A 3 9.448 11.740 1.893 1.00 1.57 H new ATOM 37 N GLN A 4 6.282 10.029 2.170 1.00 0.58 N ATOM 38 CA GLN A 4 5.211 9.378 2.966 1.00 0.52 C ATOM 39 C GLN A 4 3.801 9.517 2.375 1.00 0.49 C ATOM 40 O GLN A 4 3.145 8.513 2.084 1.00 0.51 O ATOM 41 CB GLN A 4 5.197 9.945 4.368 1.00 0.65 C ATOM 42 CG GLN A 4 4.313 9.186 5.334 1.00 1.14 C ATOM 43 CD GLN A 4 4.241 9.842 6.689 1.00 1.21 C ATOM 44 OE1 GLN A 4 3.249 9.712 7.403 1.00 1.64 O ATOM 45 NE2 GLN A 4 5.267 10.548 7.061 1.00 1.76 N ATOM 0 H GLN A 4 6.952 10.540 2.745 1.00 0.58 H new ATOM 0 HA GLN A 4 5.454 8.315 2.959 1.00 0.52 H new ATOM 0 HB2 GLN A 4 6.216 9.953 4.755 1.00 0.65 H new ATOM 0 HB3 GLN A 4 4.864 10.982 4.325 1.00 0.65 H new ATOM 0 HG2 GLN A 4 3.309 9.108 4.918 1.00 1.14 H new ATOM 0 HG3 GLN A 4 4.691 8.170 5.446 1.00 1.14 H new ATOM 0 HE21 GLN A 4 6.075 10.637 6.445 1.00 1.76 H new ATOM 0 HE22 GLN A 4 5.264 11.013 7.969 1.00 1.76 H new ATOM 54 N GLU A 5 3.361 10.737 2.151 1.00 0.53 N ATOM 55 CA GLU A 5 2.007 10.969 1.696 1.00 0.58 C ATOM 56 C GLU A 5 1.887 10.585 0.230 1.00 0.53 C ATOM 57 O GLU A 5 0.850 10.111 -0.217 1.00 0.60 O ATOM 58 CB GLU A 5 1.590 12.426 1.914 1.00 0.72 C ATOM 59 CG GLU A 5 0.115 12.668 1.659 1.00 1.48 C ATOM 60 CD GLU A 5 -0.291 14.104 1.804 1.00 2.18 C ATOM 61 OE1 GLU A 5 -0.460 14.577 2.955 1.00 2.49 O ATOM 62 OE2 GLU A 5 -0.406 14.809 0.777 1.00 3.05 O ATOM 0 H GLU A 5 3.920 11.581 2.276 1.00 0.53 H new ATOM 0 HA GLU A 5 1.332 10.346 2.283 1.00 0.58 H new ATOM 0 HB2 GLU A 5 1.828 12.716 2.937 1.00 0.72 H new ATOM 0 HB3 GLU A 5 2.176 13.068 1.256 1.00 0.72 H new ATOM 0 HG2 GLU A 5 -0.132 12.329 0.653 1.00 1.48 H new ATOM 0 HG3 GLU A 5 -0.469 12.062 2.352 1.00 1.48 H new ATOM 69 N GLU A 6 2.980 10.730 -0.490 1.00 0.50 N ATOM 70 CA GLU A 6 3.021 10.383 -1.894 1.00 0.50 C ATOM 71 C GLU A 6 2.972 8.871 -2.040 1.00 0.42 C ATOM 72 O GLU A 6 2.413 8.356 -2.990 1.00 0.43 O ATOM 73 CB GLU A 6 4.278 10.932 -2.543 1.00 0.59 C ATOM 74 CG GLU A 6 4.472 12.418 -2.336 1.00 1.06 C ATOM 75 CD GLU A 6 3.289 13.228 -2.785 1.00 1.75 C ATOM 76 OE1 GLU A 6 3.116 13.417 -3.998 1.00 2.16 O ATOM 77 OE2 GLU A 6 2.504 13.691 -1.935 1.00 2.53 O ATOM 0 H GLU A 6 3.860 11.090 -0.120 1.00 0.50 H new ATOM 0 HA GLU A 6 2.159 10.824 -2.395 1.00 0.50 H new ATOM 0 HB2 GLU A 6 5.143 10.403 -2.143 1.00 0.59 H new ATOM 0 HB3 GLU A 6 4.244 10.725 -3.613 1.00 0.59 H new ATOM 0 HG2 GLU A 6 4.659 12.612 -1.280 1.00 1.06 H new ATOM 0 HG3 GLU A 6 5.358 12.744 -2.882 1.00 1.06 H new ATOM 84 N ILE A 7 3.564 8.176 -1.073 1.00 0.36 N ATOM 85 CA ILE A 7 3.509 6.738 -1.004 1.00 0.33 C ATOM 86 C ILE A 7 2.038 6.339 -0.855 1.00 0.30 C ATOM 87 O ILE A 7 1.515 5.565 -1.637 1.00 0.30 O ATOM 88 CB ILE A 7 4.309 6.187 0.219 1.00 0.36 C ATOM 89 CG1 ILE A 7 5.814 6.493 0.109 1.00 0.40 C ATOM 90 CG2 ILE A 7 4.086 4.686 0.395 1.00 0.40 C ATOM 91 CD1 ILE A 7 6.492 5.900 -1.104 1.00 0.45 C ATOM 0 H ILE A 7 4.096 8.606 -0.316 1.00 0.36 H new ATOM 0 HA ILE A 7 3.954 6.321 -1.907 1.00 0.33 H new ATOM 0 HB ILE A 7 3.928 6.701 1.101 1.00 0.36 H new ATOM 0 HG12 ILE A 7 5.951 7.574 0.092 1.00 0.40 H new ATOM 0 HG13 ILE A 7 6.313 6.122 1.005 1.00 0.40 H new ATOM 0 HG21 ILE A 7 4.656 4.332 1.254 1.00 0.40 H new ATOM 0 HG22 ILE A 7 3.026 4.492 0.558 1.00 0.40 H new ATOM 0 HG23 ILE A 7 4.417 4.161 -0.501 1.00 0.40 H new ATOM 0 HD11 ILE A 7 7.549 6.168 -1.097 1.00 0.45 H new ATOM 0 HD12 ILE A 7 6.392 4.815 -1.082 1.00 0.45 H new ATOM 0 HD13 ILE A 7 6.025 6.289 -2.009 1.00 0.45 H new ATOM 103 N VAL A 8 1.387 6.909 0.167 1.00 0.31 N ATOM 104 CA VAL A 8 -0.042 6.688 0.432 1.00 0.35 C ATOM 105 C VAL A 8 -0.867 6.946 -0.842 1.00 0.34 C ATOM 106 O VAL A 8 -1.645 6.091 -1.281 1.00 0.36 O ATOM 107 CB VAL A 8 -0.547 7.641 1.554 1.00 0.45 C ATOM 108 CG1 VAL A 8 -2.025 7.465 1.774 1.00 0.57 C ATOM 109 CG2 VAL A 8 0.177 7.389 2.854 1.00 0.49 C ATOM 0 H VAL A 8 1.836 7.537 0.834 1.00 0.31 H new ATOM 0 HA VAL A 8 -0.166 5.653 0.751 1.00 0.35 H new ATOM 0 HB VAL A 8 -0.344 8.661 1.228 1.00 0.45 H new ATOM 0 HG11 VAL A 8 -2.358 8.140 2.562 1.00 0.57 H new ATOM 0 HG12 VAL A 8 -2.560 7.692 0.852 1.00 0.57 H new ATOM 0 HG13 VAL A 8 -2.229 6.435 2.068 1.00 0.57 H new ATOM 0 HG21 VAL A 8 -0.198 8.070 3.618 1.00 0.49 H new ATOM 0 HG22 VAL A 8 0.008 6.360 3.171 1.00 0.49 H new ATOM 0 HG23 VAL A 8 1.245 7.554 2.714 1.00 0.49 H new ATOM 119 N ALA A 9 -0.683 8.122 -1.418 1.00 0.37 N ATOM 120 CA ALA A 9 -1.379 8.534 -2.623 1.00 0.41 C ATOM 121 C ALA A 9 -1.100 7.590 -3.792 1.00 0.37 C ATOM 122 O ALA A 9 -2.005 7.291 -4.577 1.00 0.43 O ATOM 123 CB ALA A 9 -0.989 9.950 -2.985 1.00 0.48 C ATOM 0 H ALA A 9 -0.038 8.825 -1.057 1.00 0.37 H new ATOM 0 HA ALA A 9 -2.449 8.494 -2.421 1.00 0.41 H new ATOM 0 HB1 ALA A 9 -1.515 10.252 -3.890 1.00 0.48 H new ATOM 0 HB2 ALA A 9 -1.256 10.621 -2.169 1.00 0.48 H new ATOM 0 HB3 ALA A 9 0.086 9.999 -3.157 1.00 0.48 H new ATOM 129 N GLY A 10 0.138 7.123 -3.892 1.00 0.33 N ATOM 130 CA GLY A 10 0.532 6.213 -4.947 1.00 0.34 C ATOM 131 C GLY A 10 -0.120 4.866 -4.770 1.00 0.31 C ATOM 132 O GLY A 10 -0.436 4.190 -5.727 1.00 0.37 O ATOM 0 H GLY A 10 0.889 7.365 -3.246 1.00 0.33 H new ATOM 0 HA2 GLY A 10 0.255 6.631 -5.915 1.00 0.34 H new ATOM 0 HA3 GLY A 10 1.616 6.099 -4.948 1.00 0.34 H new ATOM 136 N LEU A 11 -0.309 4.481 -3.536 1.00 0.26 N ATOM 137 CA LEU A 11 -1.011 3.260 -3.219 1.00 0.25 C ATOM 138 C LEU A 11 -2.470 3.411 -3.611 1.00 0.23 C ATOM 139 O LEU A 11 -3.002 2.647 -4.428 1.00 0.24 O ATOM 140 CB LEU A 11 -0.923 2.979 -1.713 1.00 0.28 C ATOM 141 CG LEU A 11 0.465 2.709 -1.144 1.00 0.30 C ATOM 142 CD1 LEU A 11 0.407 2.665 0.374 1.00 0.33 C ATOM 143 CD2 LEU A 11 1.011 1.398 -1.680 1.00 0.32 C ATOM 0 H LEU A 11 0.017 5.002 -2.722 1.00 0.26 H new ATOM 0 HA LEU A 11 -0.558 2.433 -3.766 1.00 0.25 H new ATOM 0 HB2 LEU A 11 -1.347 3.832 -1.183 1.00 0.28 H new ATOM 0 HB3 LEU A 11 -1.555 2.119 -1.490 1.00 0.28 H new ATOM 0 HG LEU A 11 1.130 3.516 -1.451 1.00 0.30 H new ATOM 0 HD11 LEU A 11 1.404 2.472 0.771 1.00 0.33 H new ATOM 0 HD12 LEU A 11 0.045 3.621 0.752 1.00 0.33 H new ATOM 0 HD13 LEU A 11 -0.270 1.871 0.689 1.00 0.33 H new ATOM 0 HD21 LEU A 11 2.003 1.220 -1.264 1.00 0.32 H new ATOM 0 HD22 LEU A 11 0.346 0.583 -1.394 1.00 0.32 H new ATOM 0 HD23 LEU A 11 1.077 1.449 -2.767 1.00 0.32 H new ATOM 155 N ALA A 12 -3.083 4.455 -3.079 1.00 0.23 N ATOM 156 CA ALA A 12 -4.497 4.723 -3.240 1.00 0.23 C ATOM 157 C ALA A 12 -4.925 4.901 -4.686 1.00 0.21 C ATOM 158 O ALA A 12 -6.049 4.564 -5.027 1.00 0.24 O ATOM 159 CB ALA A 12 -4.900 5.923 -2.427 1.00 0.28 C ATOM 0 H ALA A 12 -2.600 5.152 -2.512 1.00 0.23 H new ATOM 0 HA ALA A 12 -5.015 3.836 -2.875 1.00 0.23 H new ATOM 0 HB1 ALA A 12 -5.966 6.111 -2.559 1.00 0.28 H new ATOM 0 HB2 ALA A 12 -4.693 5.735 -1.374 1.00 0.28 H new ATOM 0 HB3 ALA A 12 -4.334 6.794 -2.758 1.00 0.28 H new ATOM 165 N GLU A 13 -4.041 5.407 -5.535 1.00 0.24 N ATOM 166 CA GLU A 13 -4.394 5.595 -6.932 1.00 0.29 C ATOM 167 C GLU A 13 -4.626 4.257 -7.622 1.00 0.28 C ATOM 168 O GLU A 13 -5.602 4.098 -8.363 1.00 0.37 O ATOM 169 CB GLU A 13 -3.390 6.487 -7.684 1.00 0.42 C ATOM 170 CG GLU A 13 -1.970 5.975 -7.685 1.00 0.94 C ATOM 171 CD GLU A 13 -1.018 6.886 -8.395 1.00 1.53 C ATOM 172 OE1 GLU A 13 -0.857 6.748 -9.618 1.00 1.55 O ATOM 173 OE2 GLU A 13 -0.417 7.756 -7.751 1.00 2.48 O ATOM 0 H GLU A 13 -3.093 5.689 -5.286 1.00 0.24 H new ATOM 0 HA GLU A 13 -5.338 6.139 -6.957 1.00 0.29 H new ATOM 0 HB2 GLU A 13 -3.723 6.596 -8.716 1.00 0.42 H new ATOM 0 HB3 GLU A 13 -3.403 7.482 -7.238 1.00 0.42 H new ATOM 0 HG2 GLU A 13 -1.637 5.842 -6.656 1.00 0.94 H new ATOM 0 HG3 GLU A 13 -1.944 4.993 -8.157 1.00 0.94 H new ATOM 180 N ILE A 14 -3.789 3.267 -7.334 1.00 0.24 N ATOM 181 CA ILE A 14 -4.028 1.968 -7.901 1.00 0.28 C ATOM 182 C ILE A 14 -5.157 1.270 -7.118 1.00 0.25 C ATOM 183 O ILE A 14 -5.966 0.560 -7.693 1.00 0.32 O ATOM 184 CB ILE A 14 -2.762 1.027 -8.046 1.00 0.35 C ATOM 185 CG1 ILE A 14 -1.670 1.617 -8.962 1.00 0.43 C ATOM 186 CG2 ILE A 14 -3.167 -0.327 -8.592 1.00 0.42 C ATOM 187 CD1 ILE A 14 -0.734 2.597 -8.309 1.00 0.44 C ATOM 0 H ILE A 14 -2.969 3.343 -6.732 1.00 0.24 H new ATOM 0 HA ILE A 14 -4.325 2.150 -8.934 1.00 0.28 H new ATOM 0 HB ILE A 14 -2.345 0.931 -7.043 1.00 0.35 H new ATOM 0 HG12 ILE A 14 -1.081 0.796 -9.370 1.00 0.43 H new ATOM 0 HG13 ILE A 14 -2.155 2.111 -9.804 1.00 0.43 H new ATOM 0 HG21 ILE A 14 -2.285 -0.960 -8.685 1.00 0.42 H new ATOM 0 HG22 ILE A 14 -3.880 -0.795 -7.913 1.00 0.42 H new ATOM 0 HG23 ILE A 14 -3.628 -0.201 -9.572 1.00 0.42 H new ATOM 0 HD11 ILE A 14 -0.007 2.949 -9.041 1.00 0.44 H new ATOM 0 HD12 ILE A 14 -1.303 3.444 -7.926 1.00 0.44 H new ATOM 0 HD13 ILE A 14 -0.212 2.109 -7.486 1.00 0.44 H new ATOM 199 N VAL A 15 -5.262 1.548 -5.810 1.00 0.22 N ATOM 200 CA VAL A 15 -6.347 0.979 -4.993 1.00 0.22 C ATOM 201 C VAL A 15 -7.735 1.476 -5.507 1.00 0.22 C ATOM 202 O VAL A 15 -8.753 0.762 -5.439 1.00 0.25 O ATOM 203 CB VAL A 15 -6.174 1.274 -3.456 1.00 0.26 C ATOM 204 CG1 VAL A 15 -7.311 0.691 -2.666 1.00 0.30 C ATOM 205 CG2 VAL A 15 -4.886 0.684 -2.925 1.00 0.34 C ATOM 0 H VAL A 15 -4.620 2.154 -5.300 1.00 0.22 H new ATOM 0 HA VAL A 15 -6.296 -0.104 -5.105 1.00 0.22 H new ATOM 0 HB VAL A 15 -6.157 2.358 -3.345 1.00 0.26 H new ATOM 0 HG11 VAL A 15 -7.168 0.909 -1.608 1.00 0.30 H new ATOM 0 HG12 VAL A 15 -8.250 1.129 -3.003 1.00 0.30 H new ATOM 0 HG13 VAL A 15 -7.341 -0.389 -2.814 1.00 0.30 H new ATOM 0 HG21 VAL A 15 -4.796 0.905 -1.861 1.00 0.34 H new ATOM 0 HG22 VAL A 15 -4.893 -0.396 -3.072 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -4.040 1.118 -3.458 1.00 0.34 H new ATOM 215 N ASN A 16 -7.742 2.680 -6.066 1.00 0.24 N ATOM 216 CA ASN A 16 -8.936 3.274 -6.689 1.00 0.30 C ATOM 217 C ASN A 16 -9.297 2.521 -7.973 1.00 0.34 C ATOM 218 O ASN A 16 -10.454 2.444 -8.361 1.00 0.43 O ATOM 219 CB ASN A 16 -8.700 4.769 -6.992 1.00 0.37 C ATOM 220 CG ASN A 16 -9.879 5.453 -7.683 1.00 0.50 C ATOM 221 OD1 ASN A 16 -9.971 5.468 -8.907 1.00 0.95 O ATOM 222 ND2 ASN A 16 -10.766 6.032 -6.914 1.00 0.48 N ATOM 0 H ASN A 16 -6.919 3.281 -6.104 1.00 0.24 H new ATOM 0 HA ASN A 16 -9.768 3.190 -5.990 1.00 0.30 H new ATOM 0 HB2 ASN A 16 -8.486 5.290 -6.059 1.00 0.37 H new ATOM 0 HB3 ASN A 16 -7.816 4.867 -7.621 1.00 0.37 H new ATOM 0 HD21 ASN A 16 -11.563 6.514 -7.329 1.00 0.48 H new ATOM 0 HD22 ASN A 16 -10.660 6.001 -5.900 1.00 0.48 H new ATOM 229 N GLU A 17 -8.304 1.954 -8.610 1.00 0.37 N ATOM 230 CA GLU A 17 -8.524 1.179 -9.812 1.00 0.48 C ATOM 231 C GLU A 17 -8.960 -0.242 -9.442 1.00 0.47 C ATOM 232 O GLU A 17 -9.900 -0.778 -10.020 1.00 0.60 O ATOM 233 CB GLU A 17 -7.263 1.180 -10.695 1.00 0.63 C ATOM 234 CG GLU A 17 -7.391 0.368 -11.974 1.00 1.05 C ATOM 235 CD GLU A 17 -6.221 0.554 -12.907 1.00 1.51 C ATOM 236 OE1 GLU A 17 -5.197 -0.140 -12.734 1.00 2.11 O ATOM 237 OE2 GLU A 17 -6.284 1.394 -13.826 1.00 1.70 O ATOM 0 H GLU A 17 -7.329 2.013 -8.317 1.00 0.37 H new ATOM 0 HA GLU A 17 -9.325 1.636 -10.394 1.00 0.48 H new ATOM 0 HB2 GLU A 17 -7.018 2.210 -10.956 1.00 0.63 H new ATOM 0 HB3 GLU A 17 -6.427 0.791 -10.114 1.00 0.63 H new ATOM 0 HG2 GLU A 17 -7.482 -0.688 -11.720 1.00 1.05 H new ATOM 0 HG3 GLU A 17 -8.309 0.653 -12.489 1.00 1.05 H new ATOM 244 N ILE A 18 -8.296 -0.811 -8.442 1.00 0.39 N ATOM 245 CA ILE A 18 -8.585 -2.169 -7.965 1.00 0.43 C ATOM 246 C ILE A 18 -10.008 -2.256 -7.410 1.00 0.44 C ATOM 247 O ILE A 18 -10.791 -3.114 -7.813 1.00 0.53 O ATOM 248 CB ILE A 18 -7.577 -2.579 -6.842 1.00 0.44 C ATOM 249 CG1 ILE A 18 -6.139 -2.553 -7.365 1.00 0.52 C ATOM 250 CG2 ILE A 18 -7.909 -3.955 -6.261 1.00 0.50 C ATOM 251 CD1 ILE A 18 -5.882 -3.479 -8.540 1.00 0.71 C ATOM 0 H ILE A 18 -7.541 -0.348 -7.936 1.00 0.39 H new ATOM 0 HA ILE A 18 -8.486 -2.848 -8.812 1.00 0.43 H new ATOM 0 HB ILE A 18 -7.669 -1.847 -6.039 1.00 0.44 H new ATOM 0 HG12 ILE A 18 -5.891 -1.534 -7.661 1.00 0.52 H new ATOM 0 HG13 ILE A 18 -5.465 -2.822 -6.552 1.00 0.52 H new ATOM 0 HG21 ILE A 18 -7.187 -4.206 -5.484 1.00 0.50 H new ATOM 0 HG22 ILE A 18 -8.911 -3.937 -5.833 1.00 0.50 H new ATOM 0 HG23 ILE A 18 -7.865 -4.704 -7.052 1.00 0.50 H new ATOM 0 HD11 ILE A 18 -4.839 -3.397 -8.846 1.00 0.71 H new ATOM 0 HD12 ILE A 18 -6.095 -4.507 -8.246 1.00 0.71 H new ATOM 0 HD13 ILE A 18 -6.528 -3.199 -9.372 1.00 0.71 H new ATOM 263 N ALA A 19 -10.331 -1.377 -6.497 1.00 0.40 N ATOM 264 CA ALA A 19 -11.635 -1.390 -5.881 1.00 0.46 C ATOM 265 C ALA A 19 -12.371 -0.109 -6.170 1.00 0.45 C ATOM 266 O ALA A 19 -13.449 -0.120 -6.761 1.00 0.68 O ATOM 267 CB ALA A 19 -11.506 -1.596 -4.394 1.00 0.52 C ATOM 0 H ALA A 19 -9.709 -0.641 -6.162 1.00 0.40 H new ATOM 0 HA ALA A 19 -12.208 -2.217 -6.301 1.00 0.46 H new ATOM 0 HB1 ALA A 19 -12.497 -1.604 -3.940 1.00 0.52 H new ATOM 0 HB2 ALA A 19 -11.011 -2.547 -4.200 1.00 0.52 H new ATOM 0 HB3 ALA A 19 -10.917 -0.786 -3.964 1.00 0.52 H new ATOM 273 N GLY A 20 -11.783 0.992 -5.778 1.00 0.44 N ATOM 274 CA GLY A 20 -12.424 2.261 -5.997 1.00 0.46 C ATOM 275 C GLY A 20 -12.689 3.010 -4.719 1.00 0.52 C ATOM 276 O GLY A 20 -13.841 3.207 -4.335 1.00 0.93 O ATOM 0 H GLY A 20 -10.876 1.036 -5.313 1.00 0.44 H new ATOM 0 HA2 GLY A 20 -11.798 2.872 -6.647 1.00 0.46 H new ATOM 0 HA3 GLY A 20 -13.366 2.101 -6.521 1.00 0.46 H new ATOM 280 N ILE A 21 -11.637 3.395 -4.045 1.00 0.38 N ATOM 281 CA ILE A 21 -11.750 4.230 -2.861 1.00 0.39 C ATOM 282 C ILE A 21 -11.384 5.650 -3.203 1.00 0.43 C ATOM 283 O ILE A 21 -10.686 5.879 -4.200 1.00 0.50 O ATOM 284 CB ILE A 21 -10.877 3.737 -1.650 1.00 0.39 C ATOM 285 CG1 ILE A 21 -9.493 3.186 -2.061 1.00 0.41 C ATOM 286 CG2 ILE A 21 -11.623 2.770 -0.765 1.00 0.60 C ATOM 287 CD1 ILE A 21 -8.509 4.205 -2.611 1.00 0.43 C ATOM 0 H ILE A 21 -10.680 3.145 -4.293 1.00 0.38 H new ATOM 0 HA ILE A 21 -12.789 4.165 -2.539 1.00 0.39 H new ATOM 0 HB ILE A 21 -10.675 4.632 -1.062 1.00 0.39 H new ATOM 0 HG12 ILE A 21 -9.042 2.706 -1.192 1.00 0.41 H new ATOM 0 HG13 ILE A 21 -9.641 2.410 -2.812 1.00 0.41 H new ATOM 0 HG21 ILE A 21 -10.979 2.458 0.057 1.00 0.60 H new ATOM 0 HG22 ILE A 21 -12.513 3.256 -0.364 1.00 0.60 H new ATOM 0 HG23 ILE A 21 -11.917 1.897 -1.347 1.00 0.60 H new ATOM 0 HD11 ILE A 21 -7.574 3.707 -2.866 1.00 0.43 H new ATOM 0 HD12 ILE A 21 -8.927 4.670 -3.504 1.00 0.43 H new ATOM 0 HD13 ILE A 21 -8.319 4.970 -1.859 1.00 0.43 H new ATOM 299 N PRO A 22 -11.853 6.626 -2.433 1.00 0.52 N ATOM 300 CA PRO A 22 -11.454 7.999 -2.630 1.00 0.60 C ATOM 301 C PRO A 22 -9.959 8.129 -2.338 1.00 0.55 C ATOM 302 O PRO A 22 -9.483 7.718 -1.272 1.00 0.52 O ATOM 303 CB PRO A 22 -12.279 8.783 -1.597 1.00 0.74 C ATOM 304 CG PRO A 22 -13.376 7.860 -1.193 1.00 0.75 C ATOM 305 CD PRO A 22 -12.817 6.483 -1.324 1.00 0.63 C ATOM 0 HA PRO A 22 -11.621 8.361 -3.645 1.00 0.60 H new ATOM 0 HB2 PRO A 22 -11.669 9.068 -0.740 1.00 0.74 H new ATOM 0 HB3 PRO A 22 -12.676 9.703 -2.026 1.00 0.74 H new ATOM 0 HG2 PRO A 22 -13.696 8.057 -0.170 1.00 0.75 H new ATOM 0 HG3 PRO A 22 -14.251 7.989 -1.830 1.00 0.75 H new ATOM 0 HD2 PRO A 22 -12.331 6.155 -0.405 1.00 0.63 H new ATOM 0 HD3 PRO A 22 -13.592 5.752 -1.553 1.00 0.63 H new ATOM 313 N VAL A 23 -9.230 8.711 -3.260 1.00 0.62 N ATOM 314 CA VAL A 23 -7.793 8.829 -3.163 1.00 0.65 C ATOM 315 C VAL A 23 -7.411 9.910 -2.128 1.00 0.73 C ATOM 316 O VAL A 23 -6.256 10.054 -1.725 1.00 1.02 O ATOM 317 CB VAL A 23 -7.200 9.143 -4.557 1.00 0.78 C ATOM 318 CG1 VAL A 23 -7.638 10.514 -5.048 1.00 1.48 C ATOM 319 CG2 VAL A 23 -5.702 8.987 -4.581 1.00 1.35 C ATOM 0 H VAL A 23 -9.621 9.121 -4.108 1.00 0.62 H new ATOM 0 HA VAL A 23 -7.374 7.883 -2.820 1.00 0.65 H new ATOM 0 HB VAL A 23 -7.600 8.406 -5.253 1.00 0.78 H new ATOM 0 HG11 VAL A 23 -7.205 10.704 -6.030 1.00 1.48 H new ATOM 0 HG12 VAL A 23 -8.725 10.545 -5.119 1.00 1.48 H new ATOM 0 HG13 VAL A 23 -7.299 11.277 -4.347 1.00 1.48 H new ATOM 0 HG21 VAL A 23 -5.328 9.217 -5.579 1.00 1.35 H new ATOM 0 HG22 VAL A 23 -5.254 9.669 -3.859 1.00 1.35 H new ATOM 0 HG23 VAL A 23 -5.439 7.961 -4.323 1.00 1.35 H new ATOM 329 N GLU A 24 -8.414 10.624 -1.694 1.00 0.66 N ATOM 330 CA GLU A 24 -8.294 11.645 -0.683 1.00 0.76 C ATOM 331 C GLU A 24 -8.568 11.048 0.696 1.00 0.69 C ATOM 332 O GLU A 24 -8.168 11.602 1.719 1.00 0.80 O ATOM 333 CB GLU A 24 -9.333 12.731 -0.966 1.00 0.99 C ATOM 334 CG GLU A 24 -10.750 12.179 -1.056 1.00 1.22 C ATOM 335 CD GLU A 24 -11.792 13.226 -1.271 1.00 1.54 C ATOM 336 OE1 GLU A 24 -11.970 13.666 -2.425 1.00 1.89 O ATOM 337 OE2 GLU A 24 -12.421 13.659 -0.308 1.00 2.03 O ATOM 0 H GLU A 24 -9.366 10.510 -2.043 1.00 0.66 H new ATOM 0 HA GLU A 24 -7.287 12.061 -0.701 1.00 0.76 H new ATOM 0 HB2 GLU A 24 -9.290 13.484 -0.179 1.00 0.99 H new ATOM 0 HB3 GLU A 24 -9.083 13.233 -1.901 1.00 0.99 H new ATOM 0 HG2 GLU A 24 -10.798 11.459 -1.873 1.00 1.22 H new ATOM 0 HG3 GLU A 24 -10.977 11.636 -0.138 1.00 1.22 H new ATOM 344 N ASP A 25 -9.211 9.891 0.706 1.00 0.60 N ATOM 345 CA ASP A 25 -9.720 9.303 1.935 1.00 0.64 C ATOM 346 C ASP A 25 -8.656 8.511 2.646 1.00 0.55 C ATOM 347 O ASP A 25 -8.694 8.334 3.862 1.00 0.58 O ATOM 348 CB ASP A 25 -10.906 8.401 1.608 1.00 0.72 C ATOM 349 CG ASP A 25 -11.669 7.974 2.832 1.00 0.90 C ATOM 350 OD1 ASP A 25 -12.325 8.828 3.454 1.00 1.07 O ATOM 351 OD2 ASP A 25 -11.673 6.790 3.174 1.00 0.98 O ATOM 0 H ASP A 25 -9.394 9.337 -0.131 1.00 0.60 H new ATOM 0 HA ASP A 25 -10.036 10.109 2.598 1.00 0.64 H new ATOM 0 HB2 ASP A 25 -11.580 8.926 0.930 1.00 0.72 H new ATOM 0 HB3 ASP A 25 -10.549 7.516 1.081 1.00 0.72 H new ATOM 356 N VAL A 26 -7.689 8.073 1.897 1.00 0.51 N ATOM 357 CA VAL A 26 -6.641 7.242 2.424 1.00 0.47 C ATOM 358 C VAL A 26 -5.613 8.084 3.185 1.00 0.47 C ATOM 359 O VAL A 26 -4.694 8.647 2.614 1.00 0.51 O ATOM 360 CB VAL A 26 -5.972 6.406 1.302 1.00 0.51 C ATOM 361 CG1 VAL A 26 -4.952 5.433 1.882 1.00 0.73 C ATOM 362 CG2 VAL A 26 -7.029 5.644 0.519 1.00 0.70 C ATOM 0 H VAL A 26 -7.602 8.280 0.902 1.00 0.51 H new ATOM 0 HA VAL A 26 -7.086 6.541 3.130 1.00 0.47 H new ATOM 0 HB VAL A 26 -5.451 7.090 0.632 1.00 0.51 H new ATOM 0 HG11 VAL A 26 -4.497 4.859 1.075 1.00 0.73 H new ATOM 0 HG12 VAL A 26 -4.179 5.989 2.412 1.00 0.73 H new ATOM 0 HG13 VAL A 26 -5.450 4.754 2.575 1.00 0.73 H new ATOM 0 HG21 VAL A 26 -6.549 5.060 -0.267 1.00 0.70 H new ATOM 0 HG22 VAL A 26 -7.568 4.976 1.191 1.00 0.70 H new ATOM 0 HG23 VAL A 26 -7.729 6.349 0.071 1.00 0.70 H new ATOM 372 N LYS A 27 -5.898 8.285 4.442 1.00 0.49 N ATOM 373 CA LYS A 27 -5.002 8.942 5.370 1.00 0.54 C ATOM 374 C LYS A 27 -4.201 7.857 6.086 1.00 0.47 C ATOM 375 O LYS A 27 -4.473 6.683 5.888 1.00 0.51 O ATOM 376 CB LYS A 27 -5.818 9.768 6.360 1.00 0.65 C ATOM 377 CG LYS A 27 -6.646 10.852 5.686 1.00 0.83 C ATOM 378 CD LYS A 27 -7.577 11.566 6.651 1.00 1.53 C ATOM 379 CE LYS A 27 -8.594 10.610 7.261 1.00 2.02 C ATOM 380 NZ LYS A 27 -9.621 11.331 8.042 1.00 2.83 N ATOM 0 H LYS A 27 -6.779 7.992 4.865 1.00 0.49 H new ATOM 0 HA LYS A 27 -4.320 9.617 4.853 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -6.480 9.106 6.918 1.00 0.65 H new ATOM 0 HB3 LYS A 27 -5.145 10.229 7.083 1.00 0.65 H new ATOM 0 HG2 LYS A 27 -5.978 11.580 5.227 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -7.234 10.407 4.883 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -6.992 12.031 7.445 1.00 1.53 H new ATOM 0 HD3 LYS A 27 -8.099 12.368 6.128 1.00 1.53 H new ATOM 0 HE2 LYS A 27 -9.075 10.036 6.469 1.00 2.02 H new ATOM 0 HE3 LYS A 27 -8.081 9.896 7.905 1.00 2.02 H new ATOM 0 HZ1 LYS A 27 -10.296 10.648 8.442 1.00 2.83 H new ATOM 0 HZ2 LYS A 27 -9.164 11.858 8.813 1.00 2.83 H new ATOM 0 HZ3 LYS A 27 -10.127 11.995 7.421 1.00 2.83 H new ATOM 394 N LEU A 28 -3.281 8.231 6.959 1.00 0.49 N ATOM 395 CA LEU A 28 -2.369 7.265 7.609 1.00 0.47 C ATOM 396 C LEU A 28 -3.095 6.278 8.536 1.00 0.50 C ATOM 397 O LEU A 28 -2.544 5.244 8.907 1.00 0.56 O ATOM 398 CB LEU A 28 -1.221 7.972 8.368 1.00 0.54 C ATOM 399 CG LEU A 28 -0.071 8.623 7.542 1.00 0.53 C ATOM 400 CD1 LEU A 28 0.697 7.590 6.743 1.00 1.07 C ATOM 401 CD2 LEU A 28 -0.565 9.747 6.633 1.00 0.99 C ATOM 0 H LEU A 28 -3.134 9.199 7.245 1.00 0.49 H new ATOM 0 HA LEU A 28 -1.937 6.683 6.795 1.00 0.47 H new ATOM 0 HB2 LEU A 28 -1.665 8.751 8.989 1.00 0.54 H new ATOM 0 HB3 LEU A 28 -0.772 7.243 9.043 1.00 0.54 H new ATOM 0 HG LEU A 28 0.609 9.069 8.268 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.490 8.082 6.180 1.00 1.07 H new ATOM 0 HD12 LEU A 28 1.134 6.857 7.421 1.00 1.07 H new ATOM 0 HD13 LEU A 28 0.020 7.087 6.052 1.00 1.07 H new ATOM 0 HD21 LEU A 28 0.277 10.165 6.081 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -1.299 9.351 5.931 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -1.026 10.528 7.238 1.00 0.99 H new ATOM 413 N ASP A 29 -4.328 6.583 8.886 1.00 0.56 N ATOM 414 CA ASP A 29 -5.132 5.724 9.774 1.00 0.65 C ATOM 415 C ASP A 29 -5.843 4.621 9.003 1.00 0.61 C ATOM 416 O ASP A 29 -6.570 3.803 9.591 1.00 1.03 O ATOM 417 CB ASP A 29 -6.166 6.544 10.552 1.00 0.87 C ATOM 418 CG ASP A 29 -7.170 7.249 9.665 1.00 1.73 C ATOM 419 OD1 ASP A 29 -6.848 8.305 9.089 1.00 2.34 O ATOM 420 OD2 ASP A 29 -8.290 6.715 9.496 1.00 2.47 O ATOM 0 H ASP A 29 -4.811 7.425 8.573 1.00 0.56 H new ATOM 0 HA ASP A 29 -4.436 5.265 10.476 1.00 0.65 H new ATOM 0 HB2 ASP A 29 -6.699 5.885 11.238 1.00 0.87 H new ATOM 0 HB3 ASP A 29 -5.647 7.285 11.160 1.00 0.87 H new ATOM 425 N LYS A 30 -5.636 4.590 7.708 1.00 0.43 N ATOM 426 CA LYS A 30 -6.264 3.606 6.854 1.00 0.39 C ATOM 427 C LYS A 30 -5.487 2.321 6.817 1.00 0.38 C ATOM 428 O LYS A 30 -4.295 2.325 6.593 1.00 0.57 O ATOM 429 CB LYS A 30 -6.407 4.144 5.434 1.00 0.44 C ATOM 430 CG LYS A 30 -7.341 5.316 5.331 1.00 0.51 C ATOM 431 CD LYS A 30 -8.734 4.904 5.690 1.00 0.75 C ATOM 432 CE LYS A 30 -9.651 6.081 5.740 1.00 0.98 C ATOM 433 NZ LYS A 30 -11.022 5.668 6.013 1.00 1.06 N ATOM 0 H LYS A 30 -5.028 5.245 7.216 1.00 0.43 H new ATOM 0 HA LYS A 30 -7.249 3.402 7.273 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -5.425 4.438 5.064 1.00 0.44 H new ATOM 0 HB3 LYS A 30 -6.766 3.345 4.785 1.00 0.44 H new ATOM 0 HG2 LYS A 30 -7.008 6.114 5.995 1.00 0.51 H new ATOM 0 HG3 LYS A 30 -7.323 5.716 4.317 1.00 0.51 H new ATOM 0 HD2 LYS A 30 -9.102 4.184 4.959 1.00 0.75 H new ATOM 0 HD3 LYS A 30 -8.729 4.402 6.658 1.00 0.75 H new ATOM 0 HE2 LYS A 30 -9.316 6.774 6.512 1.00 0.98 H new ATOM 0 HE3 LYS A 30 -9.612 6.617 4.792 1.00 0.98 H new ATOM 0 HZ1 LYS A 30 -11.464 6.343 6.669 1.00 1.06 H new ATOM 0 HZ2 LYS A 30 -11.561 5.646 5.124 1.00 1.06 H new ATOM 0 HZ3 LYS A 30 -11.020 4.720 6.441 1.00 1.06 H new ATOM 447 N SER A 31 -6.158 1.250 7.065 1.00 0.46 N ATOM 448 CA SER A 31 -5.611 -0.067 6.934 1.00 0.44 C ATOM 449 C SER A 31 -6.330 -0.735 5.770 1.00 0.45 C ATOM 450 O SER A 31 -7.500 -0.411 5.519 1.00 0.57 O ATOM 451 CB SER A 31 -5.774 -0.786 8.251 1.00 0.49 C ATOM 452 OG SER A 31 -6.992 -0.381 8.866 1.00 1.31 O ATOM 0 H SER A 31 -7.130 1.260 7.374 1.00 0.46 H new ATOM 0 HA SER A 31 -4.544 -0.072 6.713 1.00 0.44 H new ATOM 0 HB2 SER A 31 -5.776 -1.864 8.091 1.00 0.49 H new ATOM 0 HB3 SER A 31 -4.932 -0.563 8.906 1.00 0.49 H new ATOM 0 HG SER A 31 -6.957 -0.581 9.825 1.00 1.31 H new ATOM 458 N PHE A 32 -5.707 -1.701 5.118 1.00 0.41 N ATOM 459 CA PHE A 32 -6.143 -2.099 3.800 1.00 0.46 C ATOM 460 C PHE A 32 -7.394 -2.888 3.828 1.00 0.55 C ATOM 461 O PHE A 32 -8.366 -2.544 3.177 1.00 1.03 O ATOM 462 CB PHE A 32 -5.032 -2.803 3.058 1.00 0.51 C ATOM 463 CG PHE A 32 -3.877 -1.892 2.738 1.00 0.50 C ATOM 464 CD1 PHE A 32 -2.922 -1.603 3.701 1.00 0.52 C ATOM 465 CD2 PHE A 32 -3.736 -1.341 1.479 1.00 0.55 C ATOM 466 CE1 PHE A 32 -1.857 -0.778 3.410 1.00 0.58 C ATOM 467 CE2 PHE A 32 -2.677 -0.519 1.185 1.00 0.59 C ATOM 468 CZ PHE A 32 -1.766 -0.198 2.150 1.00 0.60 C ATOM 0 H PHE A 32 -4.905 -2.218 5.479 1.00 0.41 H new ATOM 0 HA PHE A 32 -6.384 -1.191 3.248 1.00 0.46 H new ATOM 0 HB2 PHE A 32 -4.674 -3.640 3.658 1.00 0.51 H new ATOM 0 HB3 PHE A 32 -5.427 -3.221 2.132 1.00 0.51 H new ATOM 0 HD1 PHE A 32 -3.014 -2.029 4.689 1.00 0.52 H new ATOM 0 HD2 PHE A 32 -4.469 -1.560 0.716 1.00 0.55 H new ATOM 0 HE1 PHE A 32 -1.099 -0.584 4.155 1.00 0.58 H new ATOM 0 HE2 PHE A 32 -2.564 -0.124 0.186 1.00 0.59 H new ATOM 0 HZ PHE A 32 -0.976 0.506 1.935 1.00 0.60 H new ATOM 478 N THR A 33 -7.411 -3.911 4.583 1.00 0.47 N ATOM 479 CA THR A 33 -8.599 -4.645 4.703 1.00 0.50 C ATOM 480 C THR A 33 -9.094 -4.639 6.125 1.00 0.60 C ATOM 481 O THR A 33 -9.758 -5.569 6.581 1.00 1.13 O ATOM 482 CB THR A 33 -8.459 -6.054 4.168 1.00 0.65 C ATOM 483 OG1 THR A 33 -7.207 -6.624 4.571 1.00 1.37 O ATOM 484 CG2 THR A 33 -8.608 -6.104 2.666 1.00 1.21 C ATOM 0 H THR A 33 -6.620 -4.258 5.125 1.00 0.47 H new ATOM 0 HA THR A 33 -9.348 -4.151 4.084 1.00 0.50 H new ATOM 0 HB THR A 33 -9.268 -6.647 4.595 1.00 0.65 H new ATOM 0 HG1 THR A 33 -7.134 -7.535 4.218 1.00 1.37 H new ATOM 0 HG21 THR A 33 -8.501 -7.133 2.324 1.00 1.21 H new ATOM 0 HG22 THR A 33 -9.592 -5.729 2.385 1.00 1.21 H new ATOM 0 HG23 THR A 33 -7.839 -5.486 2.203 1.00 1.21 H new ATOM 492 N ASP A 34 -8.794 -3.559 6.811 1.00 0.55 N ATOM 493 CA ASP A 34 -9.270 -3.366 8.159 1.00 0.60 C ATOM 494 C ASP A 34 -10.136 -2.122 8.200 1.00 0.58 C ATOM 495 O ASP A 34 -11.137 -2.076 8.909 1.00 0.75 O ATOM 496 CB ASP A 34 -8.129 -3.220 9.190 1.00 0.72 C ATOM 497 CG ASP A 34 -7.174 -4.396 9.294 1.00 1.46 C ATOM 498 OD1 ASP A 34 -7.479 -5.382 10.004 1.00 1.58 O ATOM 499 OD2 ASP A 34 -6.059 -4.314 8.744 1.00 2.31 O ATOM 0 H ASP A 34 -8.218 -2.797 6.453 1.00 0.55 H new ATOM 0 HA ASP A 34 -9.837 -4.256 8.432 1.00 0.60 H new ATOM 0 HB2 ASP A 34 -7.552 -2.329 8.941 1.00 0.72 H new ATOM 0 HB3 ASP A 34 -8.572 -3.049 10.171 1.00 0.72 H new ATOM 504 N ASP A 35 -9.761 -1.095 7.425 1.00 0.48 N ATOM 505 CA ASP A 35 -10.534 0.155 7.422 1.00 0.50 C ATOM 506 C ASP A 35 -11.017 0.518 6.019 1.00 0.56 C ATOM 507 O ASP A 35 -12.018 1.212 5.866 1.00 0.86 O ATOM 508 CB ASP A 35 -9.704 1.322 7.989 1.00 0.47 C ATOM 509 CG ASP A 35 -10.573 2.493 8.439 1.00 0.99 C ATOM 510 OD1 ASP A 35 -11.172 2.463 9.530 1.00 1.47 O ATOM 511 OD2 ASP A 35 -10.671 3.487 7.683 1.00 1.67 O ATOM 0 H ASP A 35 -8.949 -1.102 6.807 1.00 0.48 H new ATOM 0 HA ASP A 35 -11.403 -0.013 8.058 1.00 0.50 H new ATOM 0 HB2 ASP A 35 -9.113 0.967 8.833 1.00 0.47 H new ATOM 0 HB3 ASP A 35 -9.001 1.666 7.230 1.00 0.47 H new ATOM 516 N LEU A 36 -10.313 0.040 4.999 1.00 0.44 N ATOM 517 CA LEU A 36 -10.643 0.371 3.613 1.00 0.49 C ATOM 518 C LEU A 36 -11.730 -0.534 3.056 1.00 0.53 C ATOM 519 O LEU A 36 -12.260 -1.399 3.759 1.00 0.64 O ATOM 520 CB LEU A 36 -9.396 0.304 2.715 1.00 0.51 C ATOM 521 CG LEU A 36 -8.308 1.336 2.981 1.00 0.59 C ATOM 522 CD1 LEU A 36 -7.124 1.114 2.050 1.00 0.65 C ATOM 523 CD2 LEU A 36 -8.867 2.723 2.790 1.00 0.69 C ATOM 0 H LEU A 36 -9.509 -0.579 5.104 1.00 0.44 H new ATOM 0 HA LEU A 36 -11.022 1.393 3.616 1.00 0.49 H new ATOM 0 HB2 LEU A 36 -8.956 -0.688 2.816 1.00 0.51 H new ATOM 0 HB3 LEU A 36 -9.717 0.407 1.678 1.00 0.51 H new ATOM 0 HG LEU A 36 -7.962 1.227 4.009 1.00 0.59 H new ATOM 0 HD11 LEU A 36 -6.356 1.860 2.254 1.00 0.65 H new ATOM 0 HD12 LEU A 36 -6.714 0.117 2.214 1.00 0.65 H new ATOM 0 HD13 LEU A 36 -7.453 1.205 1.015 1.00 0.65 H new ATOM 0 HD21 LEU A 36 -8.086 3.459 2.981 1.00 0.69 H new ATOM 0 HD22 LEU A 36 -9.227 2.833 1.767 1.00 0.69 H new ATOM 0 HD23 LEU A 36 -9.693 2.881 3.484 1.00 0.69 H new ATOM 535 N ASP A 37 -12.024 -0.357 1.785 1.00 0.63 N ATOM 536 CA ASP A 37 -13.069 -1.099 1.112 1.00 0.76 C ATOM 537 C ASP A 37 -12.536 -1.670 -0.149 1.00 0.78 C ATOM 538 O ASP A 37 -12.673 -1.080 -1.223 1.00 1.33 O ATOM 539 CB ASP A 37 -14.313 -0.248 0.812 1.00 1.14 C ATOM 540 CG ASP A 37 -15.168 0.023 2.016 1.00 1.49 C ATOM 541 OD1 ASP A 37 -16.009 -0.821 2.384 1.00 1.96 O ATOM 542 OD2 ASP A 37 -14.997 1.083 2.641 1.00 2.15 O ATOM 0 H ASP A 37 -11.540 0.311 1.185 1.00 0.63 H new ATOM 0 HA ASP A 37 -13.386 -1.893 1.788 1.00 0.76 H new ATOM 0 HB2 ASP A 37 -13.996 0.702 0.382 1.00 1.14 H new ATOM 0 HB3 ASP A 37 -14.915 -0.755 0.058 1.00 1.14 H new ATOM 547 N VAL A 38 -11.803 -2.735 -0.002 1.00 0.65 N ATOM 548 CA VAL A 38 -11.235 -3.438 -1.090 1.00 0.96 C ATOM 549 C VAL A 38 -11.431 -4.933 -0.921 1.00 0.89 C ATOM 550 O VAL A 38 -11.931 -5.396 0.126 1.00 1.43 O ATOM 551 CB VAL A 38 -9.717 -3.170 -1.194 1.00 1.60 C ATOM 552 CG1 VAL A 38 -9.422 -1.734 -1.545 1.00 2.23 C ATOM 553 CG2 VAL A 38 -8.994 -3.545 0.096 1.00 2.14 C ATOM 0 H VAL A 38 -11.584 -3.141 0.908 1.00 0.65 H new ATOM 0 HA VAL A 38 -11.736 -3.089 -1.993 1.00 0.96 H new ATOM 0 HB VAL A 38 -9.346 -3.802 -2.000 1.00 1.60 H new ATOM 0 HG11 VAL A 38 -8.344 -1.589 -1.608 1.00 2.23 H new ATOM 0 HG12 VAL A 38 -9.877 -1.493 -2.506 1.00 2.23 H new ATOM 0 HG13 VAL A 38 -9.832 -1.080 -0.775 1.00 2.23 H new ATOM 0 HG21 VAL A 38 -7.928 -3.344 -0.012 1.00 2.14 H new ATOM 0 HG22 VAL A 38 -9.393 -2.955 0.921 1.00 2.14 H new ATOM 0 HG23 VAL A 38 -9.144 -4.605 0.302 1.00 2.14 H new ATOM 563 N ASP A 39 -11.019 -5.670 -1.914 1.00 0.82 N ATOM 564 CA ASP A 39 -10.950 -7.110 -1.843 1.00 1.15 C ATOM 565 C ASP A 39 -9.546 -7.429 -1.427 1.00 1.18 C ATOM 566 O ASP A 39 -8.593 -6.868 -1.983 1.00 2.04 O ATOM 567 CB ASP A 39 -11.225 -7.727 -3.207 1.00 1.60 C ATOM 568 CG ASP A 39 -11.076 -9.236 -3.246 1.00 2.37 C ATOM 569 OD1 ASP A 39 -9.947 -9.728 -3.500 1.00 2.96 O ATOM 570 OD2 ASP A 39 -12.076 -9.952 -3.098 1.00 2.78 O ATOM 0 H ASP A 39 -10.717 -5.286 -2.809 1.00 0.82 H new ATOM 0 HA ASP A 39 -11.689 -7.506 -1.146 1.00 1.15 H new ATOM 0 HB2 ASP A 39 -12.237 -7.465 -3.515 1.00 1.60 H new ATOM 0 HB3 ASP A 39 -10.545 -7.287 -3.937 1.00 1.60 H new ATOM 575 N SER A 40 -9.406 -8.290 -0.472 1.00 0.85 N ATOM 576 CA SER A 40 -8.116 -8.587 0.095 1.00 0.86 C ATOM 577 C SER A 40 -7.190 -9.245 -0.907 1.00 0.74 C ATOM 578 O SER A 40 -6.103 -8.758 -1.147 1.00 0.81 O ATOM 579 CB SER A 40 -8.264 -9.431 1.335 1.00 1.19 C ATOM 580 OG SER A 40 -8.983 -10.639 1.011 1.00 1.18 O ATOM 0 H SER A 40 -10.179 -8.811 -0.058 1.00 0.85 H new ATOM 0 HA SER A 40 -7.656 -7.639 0.375 1.00 0.86 H new ATOM 0 HB2 SER A 40 -7.282 -9.677 1.740 1.00 1.19 H new ATOM 0 HB3 SER A 40 -8.796 -8.874 2.106 1.00 1.19 H new ATOM 0 HG SER A 40 -9.078 -11.189 1.816 1.00 1.18 H new ATOM 585 N LEU A 41 -7.638 -10.312 -1.538 1.00 0.71 N ATOM 586 CA LEU A 41 -6.802 -11.020 -2.498 1.00 0.70 C ATOM 587 C LEU A 41 -6.419 -10.091 -3.666 1.00 0.65 C ATOM 588 O LEU A 41 -5.371 -10.239 -4.287 1.00 0.71 O ATOM 589 CB LEU A 41 -7.463 -12.306 -3.037 1.00 0.83 C ATOM 590 CG LEU A 41 -7.623 -13.506 -2.075 1.00 1.01 C ATOM 591 CD1 LEU A 41 -8.608 -13.230 -0.955 1.00 1.29 C ATOM 592 CD2 LEU A 41 -8.039 -14.740 -2.844 1.00 1.34 C ATOM 0 H LEU A 41 -8.569 -10.709 -1.408 1.00 0.71 H new ATOM 0 HA LEU A 41 -5.903 -11.325 -1.963 1.00 0.70 H new ATOM 0 HB2 LEU A 41 -8.454 -12.041 -3.406 1.00 0.83 H new ATOM 0 HB3 LEU A 41 -6.883 -12.643 -3.896 1.00 0.83 H new ATOM 0 HG LEU A 41 -6.651 -13.674 -1.611 1.00 1.01 H new ATOM 0 HD11 LEU A 41 -8.681 -14.106 -0.310 1.00 1.29 H new ATOM 0 HD12 LEU A 41 -8.264 -12.377 -0.370 1.00 1.29 H new ATOM 0 HD13 LEU A 41 -9.588 -13.009 -1.378 1.00 1.29 H new ATOM 0 HD21 LEU A 41 -8.148 -15.578 -2.156 1.00 1.34 H new ATOM 0 HD22 LEU A 41 -8.990 -14.554 -3.343 1.00 1.34 H new ATOM 0 HD23 LEU A 41 -7.279 -14.978 -3.588 1.00 1.34 H new ATOM 604 N SER A 42 -7.265 -9.124 -3.930 1.00 0.65 N ATOM 605 CA SER A 42 -7.015 -8.138 -4.944 1.00 0.66 C ATOM 606 C SER A 42 -6.057 -7.031 -4.462 1.00 0.50 C ATOM 607 O SER A 42 -5.538 -6.266 -5.270 1.00 0.47 O ATOM 608 CB SER A 42 -8.310 -7.559 -5.446 1.00 0.84 C ATOM 609 OG SER A 42 -9.171 -8.600 -5.907 1.00 1.26 O ATOM 0 H SER A 42 -8.152 -9.002 -3.441 1.00 0.65 H new ATOM 0 HA SER A 42 -6.516 -8.641 -5.772 1.00 0.66 H new ATOM 0 HB2 SER A 42 -8.799 -6.999 -4.649 1.00 0.84 H new ATOM 0 HB3 SER A 42 -8.113 -6.856 -6.255 1.00 0.84 H new ATOM 0 HG SER A 42 -9.462 -9.145 -5.146 1.00 1.26 H new ATOM 615 N MET A 43 -5.801 -6.945 -3.155 1.00 0.45 N ATOM 616 CA MET A 43 -4.815 -5.983 -2.659 1.00 0.35 C ATOM 617 C MET A 43 -3.439 -6.448 -3.119 1.00 0.30 C ATOM 618 O MET A 43 -2.509 -5.667 -3.301 1.00 0.27 O ATOM 619 CB MET A 43 -4.795 -5.873 -1.135 1.00 0.39 C ATOM 620 CG MET A 43 -3.882 -4.748 -0.650 1.00 0.47 C ATOM 621 SD MET A 43 -3.402 -4.886 1.074 1.00 0.97 S ATOM 622 CE MET A 43 -2.310 -6.302 1.015 1.00 0.54 C ATOM 0 H MET A 43 -6.250 -7.514 -2.437 1.00 0.45 H new ATOM 0 HA MET A 43 -5.083 -5.002 -3.052 1.00 0.35 H new ATOM 0 HB2 MET A 43 -5.808 -5.699 -0.772 1.00 0.39 H new ATOM 0 HB3 MET A 43 -4.461 -6.819 -0.708 1.00 0.39 H new ATOM 0 HG2 MET A 43 -2.983 -4.733 -1.266 1.00 0.47 H new ATOM 0 HG3 MET A 43 -4.387 -3.794 -0.800 1.00 0.47 H new ATOM 0 HE1 MET A 43 -1.679 -6.312 1.904 1.00 0.54 H new ATOM 0 HE2 MET A 43 -2.902 -7.217 0.979 1.00 0.54 H new ATOM 0 HE3 MET A 43 -1.682 -6.241 0.126 1.00 0.54 H new ATOM 632 N VAL A 44 -3.347 -7.731 -3.354 1.00 0.36 N ATOM 633 CA VAL A 44 -2.140 -8.355 -3.834 1.00 0.39 C ATOM 634 C VAL A 44 -1.834 -7.858 -5.271 1.00 0.37 C ATOM 635 O VAL A 44 -0.677 -7.802 -5.697 1.00 0.42 O ATOM 636 CB VAL A 44 -2.258 -9.906 -3.770 1.00 0.54 C ATOM 637 CG1 VAL A 44 -0.970 -10.588 -4.200 1.00 0.65 C ATOM 638 CG2 VAL A 44 -2.659 -10.353 -2.355 1.00 0.57 C ATOM 0 H VAL A 44 -4.120 -8.382 -3.215 1.00 0.36 H new ATOM 0 HA VAL A 44 -1.306 -8.072 -3.191 1.00 0.39 H new ATOM 0 HB VAL A 44 -3.036 -10.208 -4.471 1.00 0.54 H new ATOM 0 HG11 VAL A 44 -1.094 -11.669 -4.141 1.00 0.65 H new ATOM 0 HG12 VAL A 44 -0.733 -10.305 -5.226 1.00 0.65 H new ATOM 0 HG13 VAL A 44 -0.158 -10.279 -3.542 1.00 0.65 H new ATOM 0 HG21 VAL A 44 -2.738 -11.440 -2.325 1.00 0.57 H new ATOM 0 HG22 VAL A 44 -1.903 -10.024 -1.642 1.00 0.57 H new ATOM 0 HG23 VAL A 44 -3.621 -9.912 -2.093 1.00 0.57 H new ATOM 648 N GLU A 45 -2.885 -7.403 -5.957 1.00 0.37 N ATOM 649 CA GLU A 45 -2.781 -6.872 -7.304 1.00 0.38 C ATOM 650 C GLU A 45 -2.252 -5.428 -7.264 1.00 0.31 C ATOM 651 O GLU A 45 -1.501 -5.002 -8.136 1.00 0.37 O ATOM 652 CB GLU A 45 -4.148 -6.903 -7.994 1.00 0.46 C ATOM 653 CG GLU A 45 -4.786 -8.285 -8.072 1.00 0.64 C ATOM 654 CD GLU A 45 -3.982 -9.263 -8.889 1.00 1.21 C ATOM 655 OE1 GLU A 45 -4.019 -9.177 -10.137 1.00 1.31 O ATOM 656 OE2 GLU A 45 -3.319 -10.150 -8.306 1.00 2.06 O ATOM 0 H GLU A 45 -3.835 -7.396 -5.585 1.00 0.37 H new ATOM 0 HA GLU A 45 -2.085 -7.492 -7.869 1.00 0.38 H new ATOM 0 HB2 GLU A 45 -4.824 -6.234 -7.462 1.00 0.46 H new ATOM 0 HB3 GLU A 45 -4.040 -6.509 -9.005 1.00 0.46 H new ATOM 0 HG2 GLU A 45 -4.909 -8.679 -7.063 1.00 0.64 H new ATOM 0 HG3 GLU A 45 -5.783 -8.194 -8.503 1.00 0.64 H new ATOM 663 N VAL A 46 -2.642 -4.671 -6.241 1.00 0.30 N ATOM 664 CA VAL A 46 -2.167 -3.305 -6.113 1.00 0.30 C ATOM 665 C VAL A 46 -0.745 -3.257 -5.565 1.00 0.29 C ATOM 666 O VAL A 46 0.076 -2.506 -6.067 1.00 0.39 O ATOM 667 CB VAL A 46 -3.138 -2.360 -5.301 1.00 0.51 C ATOM 668 CG1 VAL A 46 -3.426 -2.871 -3.917 1.00 0.91 C ATOM 669 CG2 VAL A 46 -2.592 -0.948 -5.214 1.00 1.43 C ATOM 0 H VAL A 46 -3.275 -4.978 -5.502 1.00 0.30 H new ATOM 0 HA VAL A 46 -2.155 -2.904 -7.126 1.00 0.30 H new ATOM 0 HB VAL A 46 -4.076 -2.352 -5.857 1.00 0.51 H new ATOM 0 HG11 VAL A 46 -4.098 -2.181 -3.407 1.00 0.91 H new ATOM 0 HG12 VAL A 46 -3.895 -3.853 -3.982 1.00 0.91 H new ATOM 0 HG13 VAL A 46 -2.494 -2.950 -3.357 1.00 0.91 H new ATOM 0 HG21 VAL A 46 -3.285 -0.324 -4.649 1.00 1.43 H new ATOM 0 HG22 VAL A 46 -1.624 -0.962 -4.712 1.00 1.43 H new ATOM 0 HG23 VAL A 46 -2.474 -0.541 -6.218 1.00 1.43 H new ATOM 679 N VAL A 47 -0.436 -4.096 -4.576 1.00 0.28 N ATOM 680 CA VAL A 47 0.902 -4.094 -3.981 1.00 0.33 C ATOM 681 C VAL A 47 1.983 -4.441 -5.018 1.00 0.31 C ATOM 682 O VAL A 47 3.023 -3.790 -5.068 1.00 0.35 O ATOM 683 CB VAL A 47 1.017 -4.996 -2.704 1.00 0.41 C ATOM 684 CG1 VAL A 47 0.672 -6.435 -2.993 1.00 0.39 C ATOM 685 CG2 VAL A 47 2.407 -4.898 -2.087 1.00 0.53 C ATOM 0 H VAL A 47 -1.082 -4.776 -4.175 1.00 0.28 H new ATOM 0 HA VAL A 47 1.077 -3.073 -3.642 1.00 0.33 H new ATOM 0 HB VAL A 47 0.288 -4.620 -1.986 1.00 0.41 H new ATOM 0 HG11 VAL A 47 0.766 -7.022 -2.079 1.00 0.39 H new ATOM 0 HG12 VAL A 47 -0.352 -6.497 -3.361 1.00 0.39 H new ATOM 0 HG13 VAL A 47 1.353 -6.828 -3.748 1.00 0.39 H new ATOM 0 HG21 VAL A 47 2.458 -5.534 -1.203 1.00 0.53 H new ATOM 0 HG22 VAL A 47 3.151 -5.225 -2.813 1.00 0.53 H new ATOM 0 HG23 VAL A 47 2.607 -3.865 -1.803 1.00 0.53 H new ATOM 695 N VAL A 48 1.690 -5.392 -5.904 1.00 0.29 N ATOM 696 CA VAL A 48 2.653 -5.791 -6.924 1.00 0.31 C ATOM 697 C VAL A 48 2.879 -4.650 -7.943 1.00 0.29 C ATOM 698 O VAL A 48 3.949 -4.532 -8.551 1.00 0.35 O ATOM 699 CB VAL A 48 2.238 -7.122 -7.640 1.00 0.37 C ATOM 700 CG1 VAL A 48 0.964 -6.969 -8.444 1.00 0.61 C ATOM 701 CG2 VAL A 48 3.361 -7.681 -8.497 1.00 0.65 C ATOM 0 H VAL A 48 0.803 -5.895 -5.935 1.00 0.29 H new ATOM 0 HA VAL A 48 3.598 -5.988 -6.419 1.00 0.31 H new ATOM 0 HB VAL A 48 2.036 -7.844 -6.849 1.00 0.37 H new ATOM 0 HG11 VAL A 48 0.718 -7.918 -8.921 1.00 0.61 H new ATOM 0 HG12 VAL A 48 0.150 -6.674 -7.782 1.00 0.61 H new ATOM 0 HG13 VAL A 48 1.106 -6.205 -9.208 1.00 0.61 H new ATOM 0 HG21 VAL A 48 3.030 -8.603 -8.974 1.00 0.65 H new ATOM 0 HG22 VAL A 48 3.632 -6.953 -9.262 1.00 0.65 H new ATOM 0 HG23 VAL A 48 4.228 -7.888 -7.870 1.00 0.65 H new ATOM 711 N ALA A 49 1.884 -3.787 -8.083 1.00 0.28 N ATOM 712 CA ALA A 49 1.977 -2.644 -8.970 1.00 0.28 C ATOM 713 C ALA A 49 2.631 -1.477 -8.240 1.00 0.27 C ATOM 714 O ALA A 49 3.250 -0.619 -8.842 1.00 0.32 O ATOM 715 CB ALA A 49 0.598 -2.252 -9.488 1.00 0.32 C ATOM 0 H ALA A 49 0.996 -3.861 -7.587 1.00 0.28 H new ATOM 0 HA ALA A 49 2.594 -2.912 -9.828 1.00 0.28 H new ATOM 0 HB1 ALA A 49 0.690 -1.392 -10.152 1.00 0.32 H new ATOM 0 HB2 ALA A 49 0.164 -3.089 -10.035 1.00 0.32 H new ATOM 0 HB3 ALA A 49 -0.047 -1.994 -8.648 1.00 0.32 H new ATOM 721 N ALA A 50 2.502 -1.468 -6.935 1.00 0.27 N ATOM 722 CA ALA A 50 3.078 -0.428 -6.111 1.00 0.30 C ATOM 723 C ALA A 50 4.588 -0.561 -6.065 1.00 0.29 C ATOM 724 O ALA A 50 5.310 0.444 -6.032 1.00 0.32 O ATOM 725 CB ALA A 50 2.488 -0.458 -4.713 1.00 0.36 C ATOM 0 H ALA A 50 1.994 -2.182 -6.412 1.00 0.27 H new ATOM 0 HA ALA A 50 2.834 0.536 -6.557 1.00 0.30 H new ATOM 0 HB1 ALA A 50 2.936 0.333 -4.112 1.00 0.36 H new ATOM 0 HB2 ALA A 50 1.410 -0.304 -4.769 1.00 0.36 H new ATOM 0 HB3 ALA A 50 2.693 -1.424 -4.252 1.00 0.36 H new ATOM 731 N GLU A 51 5.061 -1.800 -6.101 1.00 0.32 N ATOM 732 CA GLU A 51 6.493 -2.098 -6.097 1.00 0.39 C ATOM 733 C GLU A 51 7.202 -1.381 -7.246 1.00 0.39 C ATOM 734 O GLU A 51 8.233 -0.725 -7.054 1.00 0.47 O ATOM 735 CB GLU A 51 6.725 -3.598 -6.207 1.00 0.49 C ATOM 736 CG GLU A 51 6.111 -4.407 -5.083 1.00 0.36 C ATOM 737 CD GLU A 51 6.397 -5.874 -5.225 1.00 0.44 C ATOM 738 OE1 GLU A 51 7.480 -6.338 -4.816 1.00 0.78 O ATOM 739 OE2 GLU A 51 5.532 -6.598 -5.733 1.00 0.70 O ATOM 0 H GLU A 51 4.466 -2.628 -6.134 1.00 0.32 H new ATOM 0 HA GLU A 51 6.907 -1.741 -5.154 1.00 0.39 H new ATOM 0 HB2 GLU A 51 6.318 -3.948 -7.156 1.00 0.49 H new ATOM 0 HB3 GLU A 51 7.798 -3.787 -6.231 1.00 0.49 H new ATOM 0 HG2 GLU A 51 6.499 -4.053 -4.128 1.00 0.36 H new ATOM 0 HG3 GLU A 51 5.033 -4.248 -5.068 1.00 0.36 H new ATOM 746 N GLU A 52 6.614 -1.451 -8.419 1.00 0.36 N ATOM 747 CA GLU A 52 7.196 -0.832 -9.593 1.00 0.41 C ATOM 748 C GLU A 52 6.990 0.691 -9.600 1.00 0.38 C ATOM 749 O GLU A 52 7.695 1.406 -10.296 1.00 0.47 O ATOM 750 CB GLU A 52 6.660 -1.476 -10.876 1.00 0.49 C ATOM 751 CG GLU A 52 5.159 -1.386 -11.027 1.00 0.53 C ATOM 752 CD GLU A 52 4.657 -2.019 -12.292 1.00 0.73 C ATOM 753 OE1 GLU A 52 4.466 -3.247 -12.315 1.00 0.96 O ATOM 754 OE2 GLU A 52 4.451 -1.313 -13.289 1.00 0.94 O ATOM 0 H GLU A 52 5.730 -1.932 -8.588 1.00 0.36 H new ATOM 0 HA GLU A 52 8.271 -1.006 -9.554 1.00 0.41 H new ATOM 0 HB2 GLU A 52 7.131 -0.998 -11.735 1.00 0.49 H new ATOM 0 HB3 GLU A 52 6.955 -2.525 -10.894 1.00 0.49 H new ATOM 0 HG2 GLU A 52 4.684 -1.868 -10.173 1.00 0.53 H new ATOM 0 HG3 GLU A 52 4.860 -0.338 -11.008 1.00 0.53 H new ATOM 761 N ARG A 53 6.031 1.185 -8.814 1.00 0.32 N ATOM 762 CA ARG A 53 5.778 2.628 -8.745 1.00 0.36 C ATOM 763 C ARG A 53 6.779 3.302 -7.828 1.00 0.35 C ATOM 764 O ARG A 53 7.458 4.240 -8.223 1.00 0.48 O ATOM 765 CB ARG A 53 4.348 2.959 -8.251 1.00 0.46 C ATOM 766 CG ARG A 53 3.219 2.464 -9.138 1.00 1.11 C ATOM 767 CD ARG A 53 3.268 3.062 -10.536 1.00 1.21 C ATOM 768 NE ARG A 53 2.252 2.451 -11.401 1.00 2.17 N ATOM 769 CZ ARG A 53 2.509 1.462 -12.271 1.00 2.78 C ATOM 770 NH1 ARG A 53 3.760 1.201 -12.622 1.00 2.79 N ATOM 771 NH2 ARG A 53 1.512 0.790 -12.847 1.00 3.85 N ATOM 0 H ARG A 53 5.424 0.617 -8.223 1.00 0.32 H new ATOM 0 HA ARG A 53 5.883 3.005 -9.762 1.00 0.36 H new ATOM 0 HB2 ARG A 53 4.218 2.533 -7.256 1.00 0.46 H new ATOM 0 HB3 ARG A 53 4.259 4.041 -8.149 1.00 0.46 H new ATOM 0 HG2 ARG A 53 3.268 1.377 -9.210 1.00 1.11 H new ATOM 0 HG3 ARG A 53 2.263 2.710 -8.675 1.00 1.11 H new ATOM 0 HD2 ARG A 53 3.106 4.139 -10.482 1.00 1.21 H new ATOM 0 HD3 ARG A 53 4.258 2.910 -10.967 1.00 1.21 H new ATOM 0 HE ARG A 53 1.295 2.798 -11.337 1.00 2.17 H new ATOM 0 HH11 ARG A 53 4.525 1.751 -12.231 1.00 2.79 H new ATOM 0 HH12 ARG A 53 3.958 0.450 -13.283 1.00 2.79 H new ATOM 0 HH21 ARG A 53 0.544 1.026 -12.628 1.00 3.85 H new ATOM 0 HH22 ARG A 53 1.717 0.040 -13.507 1.00 3.85 H new ATOM 785 N PHE A 54 6.912 2.776 -6.624 1.00 0.29 N ATOM 786 CA PHE A 54 7.725 3.418 -5.586 1.00 0.30 C ATOM 787 C PHE A 54 9.175 2.980 -5.611 1.00 0.33 C ATOM 788 O PHE A 54 9.938 3.308 -4.693 1.00 0.40 O ATOM 789 CB PHE A 54 7.141 3.136 -4.209 1.00 0.31 C ATOM 790 CG PHE A 54 5.723 3.549 -4.093 1.00 0.30 C ATOM 791 CD1 PHE A 54 5.366 4.867 -4.256 1.00 0.35 C ATOM 792 CD2 PHE A 54 4.745 2.621 -3.806 1.00 0.35 C ATOM 793 CE1 PHE A 54 4.062 5.254 -4.136 1.00 0.39 C ATOM 794 CE2 PHE A 54 3.442 3.002 -3.683 1.00 0.38 C ATOM 795 CZ PHE A 54 3.094 4.307 -3.905 1.00 0.37 C ATOM 0 H PHE A 54 6.470 1.904 -6.332 1.00 0.29 H new ATOM 0 HA PHE A 54 7.703 4.487 -5.797 1.00 0.30 H new ATOM 0 HB2 PHE A 54 7.223 2.070 -3.995 1.00 0.31 H new ATOM 0 HB3 PHE A 54 7.730 3.659 -3.455 1.00 0.31 H new ATOM 0 HD1 PHE A 54 6.124 5.603 -4.481 1.00 0.35 H new ATOM 0 HD2 PHE A 54 5.013 1.583 -3.677 1.00 0.35 H new ATOM 0 HE1 PHE A 54 3.794 6.297 -4.222 1.00 0.39 H new ATOM 0 HE2 PHE A 54 2.688 2.278 -3.412 1.00 0.38 H new ATOM 0 HZ PHE A 54 2.053 4.594 -3.899 1.00 0.37 H new ATOM 805 N ASP A 55 9.550 2.221 -6.645 1.00 0.36 N ATOM 806 CA ASP A 55 10.944 1.745 -6.824 1.00 0.44 C ATOM 807 C ASP A 55 11.351 0.789 -5.712 1.00 0.46 C ATOM 808 O ASP A 55 12.547 0.660 -5.371 1.00 0.77 O ATOM 809 CB ASP A 55 11.936 2.930 -6.914 1.00 0.53 C ATOM 810 CG ASP A 55 11.841 3.684 -8.219 1.00 1.14 C ATOM 811 OD1 ASP A 55 11.051 4.636 -8.333 1.00 1.95 O ATOM 812 OD2 ASP A 55 12.559 3.334 -9.172 1.00 1.23 O ATOM 0 H ASP A 55 8.911 1.917 -7.380 1.00 0.36 H new ATOM 0 HA ASP A 55 10.981 1.200 -7.767 1.00 0.44 H new ATOM 0 HB2 ASP A 55 11.747 3.617 -6.089 1.00 0.53 H new ATOM 0 HB3 ASP A 55 12.952 2.556 -6.791 1.00 0.53 H new ATOM 817 N VAL A 56 10.369 0.075 -5.195 1.00 0.35 N ATOM 818 CA VAL A 56 10.577 -0.858 -4.106 1.00 0.40 C ATOM 819 C VAL A 56 10.321 -2.289 -4.535 1.00 0.52 C ATOM 820 O VAL A 56 10.096 -2.581 -5.710 1.00 1.14 O ATOM 821 CB VAL A 56 9.672 -0.564 -2.860 1.00 0.55 C ATOM 822 CG1 VAL A 56 10.065 0.710 -2.172 1.00 1.00 C ATOM 823 CG2 VAL A 56 8.190 -0.512 -3.249 1.00 1.37 C ATOM 0 H VAL A 56 9.403 0.126 -5.519 1.00 0.35 H new ATOM 0 HA VAL A 56 11.622 -0.726 -3.824 1.00 0.40 H new ATOM 0 HB VAL A 56 9.823 -1.387 -2.162 1.00 0.55 H new ATOM 0 HG11 VAL A 56 9.413 0.876 -1.314 1.00 1.00 H new ATOM 0 HG12 VAL A 56 11.099 0.637 -1.833 1.00 1.00 H new ATOM 0 HG13 VAL A 56 9.969 1.544 -2.868 1.00 1.00 H new ATOM 0 HG21 VAL A 56 7.588 -0.306 -2.364 1.00 1.37 H new ATOM 0 HG22 VAL A 56 8.034 0.277 -3.985 1.00 1.37 H new ATOM 0 HG23 VAL A 56 7.892 -1.470 -3.676 1.00 1.37 H new ATOM 833 N LYS A 57 10.353 -3.148 -3.568 1.00 0.41 N ATOM 834 CA LYS A 57 9.967 -4.510 -3.686 1.00 0.40 C ATOM 835 C LYS A 57 9.424 -4.889 -2.347 1.00 0.45 C ATOM 836 O LYS A 57 10.054 -4.602 -1.318 1.00 0.67 O ATOM 837 CB LYS A 57 11.134 -5.420 -4.093 1.00 0.57 C ATOM 838 CG LYS A 57 10.754 -6.897 -4.113 1.00 1.30 C ATOM 839 CD LYS A 57 11.817 -7.763 -4.744 1.00 1.77 C ATOM 840 CE LYS A 57 11.991 -7.446 -6.216 1.00 2.45 C ATOM 841 NZ LYS A 57 12.937 -8.363 -6.867 1.00 3.34 N ATOM 0 H LYS A 57 10.665 -2.902 -2.629 1.00 0.41 H new ATOM 0 HA LYS A 57 9.227 -4.634 -4.477 1.00 0.40 H new ATOM 0 HB2 LYS A 57 11.489 -5.128 -5.081 1.00 0.57 H new ATOM 0 HB3 LYS A 57 11.962 -5.272 -3.400 1.00 0.57 H new ATOM 0 HG2 LYS A 57 10.574 -7.235 -3.093 1.00 1.30 H new ATOM 0 HG3 LYS A 57 9.819 -7.020 -4.660 1.00 1.30 H new ATOM 0 HD2 LYS A 57 12.764 -7.615 -4.225 1.00 1.77 H new ATOM 0 HD3 LYS A 57 11.549 -8.813 -4.626 1.00 1.77 H new ATOM 0 HE2 LYS A 57 11.025 -7.506 -6.717 1.00 2.45 H new ATOM 0 HE3 LYS A 57 12.345 -6.421 -6.327 1.00 2.45 H new ATOM 0 HZ1 LYS A 57 13.028 -8.112 -7.872 1.00 3.34 H new ATOM 0 HZ2 LYS A 57 13.866 -8.288 -6.406 1.00 3.34 H new ATOM 0 HZ3 LYS A 57 12.587 -9.339 -6.784 1.00 3.34 H new ATOM 855 N ILE A 58 8.268 -5.456 -2.328 1.00 0.36 N ATOM 856 CA ILE A 58 7.619 -5.761 -1.093 1.00 0.42 C ATOM 857 C ILE A 58 7.309 -7.241 -1.047 1.00 0.46 C ATOM 858 O ILE A 58 6.407 -7.712 -1.737 1.00 0.52 O ATOM 859 CB ILE A 58 6.311 -4.935 -0.906 1.00 0.47 C ATOM 860 CG1 ILE A 58 6.586 -3.435 -1.129 1.00 0.48 C ATOM 861 CG2 ILE A 58 5.759 -5.151 0.500 1.00 0.55 C ATOM 862 CD1 ILE A 58 5.352 -2.559 -1.081 1.00 0.57 C ATOM 0 H ILE A 58 7.745 -5.722 -3.162 1.00 0.36 H new ATOM 0 HA ILE A 58 8.292 -5.493 -0.278 1.00 0.42 H new ATOM 0 HB ILE A 58 5.578 -5.272 -1.639 1.00 0.47 H new ATOM 0 HG12 ILE A 58 7.291 -3.091 -0.372 1.00 0.48 H new ATOM 0 HG13 ILE A 58 7.070 -3.307 -2.097 1.00 0.48 H new ATOM 0 HG21 ILE A 58 4.845 -4.571 0.625 1.00 0.55 H new ATOM 0 HG22 ILE A 58 5.541 -6.209 0.647 1.00 0.55 H new ATOM 0 HG23 ILE A 58 6.497 -4.828 1.234 1.00 0.55 H new ATOM 0 HD11 ILE A 58 5.637 -1.520 -1.247 1.00 0.57 H new ATOM 0 HD12 ILE A 58 4.653 -2.872 -1.856 1.00 0.57 H new ATOM 0 HD13 ILE A 58 4.877 -2.653 -0.105 1.00 0.57 H new ATOM 874 N PRO A 59 8.100 -8.003 -0.291 1.00 0.47 N ATOM 875 CA PRO A 59 7.892 -9.431 -0.127 1.00 0.53 C ATOM 876 C PRO A 59 6.564 -9.714 0.570 1.00 0.53 C ATOM 877 O PRO A 59 6.198 -9.032 1.546 1.00 0.46 O ATOM 878 CB PRO A 59 9.078 -9.871 0.742 1.00 0.59 C ATOM 879 CG PRO A 59 10.076 -8.785 0.591 1.00 0.63 C ATOM 880 CD PRO A 59 9.270 -7.540 0.448 1.00 0.50 C ATOM 0 HA PRO A 59 7.844 -9.964 -1.076 1.00 0.53 H new ATOM 0 HB2 PRO A 59 8.782 -9.995 1.784 1.00 0.59 H new ATOM 0 HB3 PRO A 59 9.480 -10.828 0.409 1.00 0.59 H new ATOM 0 HG2 PRO A 59 10.735 -8.731 1.457 1.00 0.63 H new ATOM 0 HG3 PRO A 59 10.709 -8.948 -0.281 1.00 0.63 H new ATOM 0 HD2 PRO A 59 8.998 -7.120 1.416 1.00 0.50 H new ATOM 0 HD3 PRO A 59 9.812 -6.766 -0.095 1.00 0.50 H new ATOM 888 N ASP A 60 5.871 -10.720 0.079 1.00 0.68 N ATOM 889 CA ASP A 60 4.519 -11.095 0.534 1.00 0.77 C ATOM 890 C ASP A 60 4.433 -11.319 2.036 1.00 0.70 C ATOM 891 O ASP A 60 3.448 -10.948 2.664 1.00 0.69 O ATOM 892 CB ASP A 60 3.997 -12.334 -0.218 1.00 1.08 C ATOM 893 CG ASP A 60 3.777 -12.096 -1.702 1.00 1.50 C ATOM 894 OD1 ASP A 60 4.740 -12.199 -2.486 1.00 2.30 O ATOM 895 OD2 ASP A 60 2.643 -11.802 -2.116 1.00 1.84 O ATOM 0 H ASP A 60 6.226 -11.322 -0.664 1.00 0.68 H new ATOM 0 HA ASP A 60 3.882 -10.242 0.301 1.00 0.77 H new ATOM 0 HB2 ASP A 60 4.707 -13.152 -0.091 1.00 1.08 H new ATOM 0 HB3 ASP A 60 3.058 -12.654 0.233 1.00 1.08 H new ATOM 900 N ASP A 61 5.475 -11.879 2.626 1.00 0.75 N ATOM 901 CA ASP A 61 5.464 -12.140 4.073 1.00 0.85 C ATOM 902 C ASP A 61 5.555 -10.849 4.867 1.00 0.71 C ATOM 903 O ASP A 61 4.974 -10.731 5.940 1.00 0.79 O ATOM 904 CB ASP A 61 6.569 -13.112 4.512 1.00 1.13 C ATOM 905 CG ASP A 61 6.400 -14.502 3.953 1.00 1.80 C ATOM 906 OD1 ASP A 61 5.623 -15.296 4.519 1.00 2.31 O ATOM 907 OD2 ASP A 61 7.044 -14.829 2.935 1.00 2.38 O ATOM 0 H ASP A 61 6.329 -12.161 2.145 1.00 0.75 H new ATOM 0 HA ASP A 61 4.509 -12.619 4.286 1.00 0.85 H new ATOM 0 HB2 ASP A 61 7.535 -12.717 4.199 1.00 1.13 H new ATOM 0 HB3 ASP A 61 6.584 -13.165 5.601 1.00 1.13 H new ATOM 912 N ASP A 62 6.260 -9.864 4.322 1.00 0.60 N ATOM 913 CA ASP A 62 6.382 -8.552 4.973 1.00 0.62 C ATOM 914 C ASP A 62 5.063 -7.831 4.907 1.00 0.51 C ATOM 915 O ASP A 62 4.678 -7.133 5.841 1.00 0.61 O ATOM 916 CB ASP A 62 7.484 -7.678 4.342 1.00 0.74 C ATOM 917 CG ASP A 62 8.885 -8.146 4.657 1.00 0.82 C ATOM 918 OD1 ASP A 62 9.441 -8.956 3.896 1.00 1.52 O ATOM 919 OD2 ASP A 62 9.467 -7.683 5.671 1.00 1.17 O ATOM 0 H ASP A 62 6.756 -9.942 3.434 1.00 0.60 H new ATOM 0 HA ASP A 62 6.665 -8.730 6.010 1.00 0.62 H new ATOM 0 HB2 ASP A 62 7.350 -7.664 3.260 1.00 0.74 H new ATOM 0 HB3 ASP A 62 7.366 -6.652 4.691 1.00 0.74 H new ATOM 924 N VAL A 63 4.363 -8.035 3.793 1.00 0.43 N ATOM 925 CA VAL A 63 3.031 -7.475 3.573 1.00 0.46 C ATOM 926 C VAL A 63 2.108 -7.925 4.700 1.00 0.46 C ATOM 927 O VAL A 63 1.539 -7.112 5.406 1.00 0.55 O ATOM 928 CB VAL A 63 2.424 -7.972 2.223 1.00 0.53 C ATOM 929 CG1 VAL A 63 1.027 -7.413 2.015 1.00 0.79 C ATOM 930 CG2 VAL A 63 3.306 -7.599 1.050 1.00 0.73 C ATOM 0 H VAL A 63 4.706 -8.596 3.013 1.00 0.43 H new ATOM 0 HA VAL A 63 3.121 -6.389 3.546 1.00 0.46 H new ATOM 0 HB VAL A 63 2.364 -9.059 2.278 1.00 0.53 H new ATOM 0 HG11 VAL A 63 0.628 -7.775 1.068 1.00 0.79 H new ATOM 0 HG12 VAL A 63 0.380 -7.738 2.829 1.00 0.79 H new ATOM 0 HG13 VAL A 63 1.070 -6.324 1.999 1.00 0.79 H new ATOM 0 HG21 VAL A 63 2.854 -7.960 0.126 1.00 0.73 H new ATOM 0 HG22 VAL A 63 3.411 -6.515 1.004 1.00 0.73 H new ATOM 0 HG23 VAL A 63 4.289 -8.053 1.175 1.00 0.73 H new ATOM 940 N LYS A 64 2.045 -9.238 4.902 1.00 0.46 N ATOM 941 CA LYS A 64 1.133 -9.878 5.869 1.00 0.55 C ATOM 942 C LYS A 64 1.408 -9.412 7.299 1.00 0.54 C ATOM 943 O LYS A 64 0.565 -9.525 8.176 1.00 0.63 O ATOM 944 CB LYS A 64 1.283 -11.405 5.790 1.00 0.68 C ATOM 945 CG LYS A 64 1.053 -11.968 4.400 1.00 0.77 C ATOM 946 CD LYS A 64 1.293 -13.466 4.348 1.00 0.99 C ATOM 947 CE LYS A 64 1.190 -14.003 2.920 1.00 1.17 C ATOM 948 NZ LYS A 64 -0.155 -13.811 2.329 1.00 1.24 N ATOM 0 H LYS A 64 2.630 -9.903 4.397 1.00 0.46 H new ATOM 0 HA LYS A 64 0.115 -9.588 5.609 1.00 0.55 H new ATOM 0 HB2 LYS A 64 2.283 -11.681 6.123 1.00 0.68 H new ATOM 0 HB3 LYS A 64 0.578 -11.867 6.481 1.00 0.68 H new ATOM 0 HG2 LYS A 64 0.032 -11.753 4.086 1.00 0.77 H new ATOM 0 HG3 LYS A 64 1.716 -11.470 3.692 1.00 0.77 H new ATOM 0 HD2 LYS A 64 2.280 -13.691 4.752 1.00 0.99 H new ATOM 0 HD3 LYS A 64 0.566 -13.974 4.982 1.00 0.99 H new ATOM 0 HE2 LYS A 64 1.931 -13.504 2.295 1.00 1.17 H new ATOM 0 HE3 LYS A 64 1.434 -15.065 2.918 1.00 1.17 H new ATOM 0 HZ1 LYS A 64 -0.192 -14.268 1.395 1.00 1.24 H new ATOM 0 HZ2 LYS A 64 -0.872 -14.236 2.951 1.00 1.24 H new ATOM 0 HZ3 LYS A 64 -0.346 -12.794 2.225 1.00 1.24 H new ATOM 962 N ASN A 65 2.583 -8.877 7.506 1.00 0.50 N ATOM 963 CA ASN A 65 3.018 -8.417 8.807 1.00 0.56 C ATOM 964 C ASN A 65 2.633 -6.960 9.080 1.00 0.52 C ATOM 965 O ASN A 65 2.706 -6.501 10.232 1.00 0.65 O ATOM 966 CB ASN A 65 4.536 -8.603 8.964 1.00 0.64 C ATOM 967 CG ASN A 65 4.973 -10.025 9.336 1.00 1.32 C ATOM 968 OD1 ASN A 65 4.224 -11.025 8.934 1.00 1.95 O flip ATOM 969 ND2 ASN A 65 5.997 -10.211 9.994 1.00 2.07 N flip ATOM 0 H ASN A 65 3.276 -8.745 6.769 1.00 0.50 H new ATOM 0 HA ASN A 65 2.499 -9.028 9.545 1.00 0.56 H new ATOM 0 HB2 ASN A 65 5.021 -8.321 8.029 1.00 0.64 H new ATOM 0 HB3 ASN A 65 4.895 -7.915 9.730 1.00 0.64 H new ATOM 0 HD21 ASN A 65 6.562 -9.416 10.294 1.00 2.07 H new ATOM 0 HD22 ASN A 65 6.281 -11.160 10.239 1.00 2.07 H new ATOM 976 N LEU A 66 2.208 -6.233 8.063 1.00 0.43 N ATOM 977 CA LEU A 66 1.880 -4.821 8.248 1.00 0.43 C ATOM 978 C LEU A 66 0.410 -4.633 8.611 1.00 0.43 C ATOM 979 O LEU A 66 -0.341 -5.606 8.690 1.00 0.47 O ATOM 980 CB LEU A 66 2.255 -3.996 7.022 1.00 0.44 C ATOM 981 CG LEU A 66 3.740 -3.983 6.651 1.00 0.50 C ATOM 982 CD1 LEU A 66 3.956 -3.125 5.431 1.00 0.57 C ATOM 983 CD2 LEU A 66 4.587 -3.476 7.812 1.00 0.60 C ATOM 0 H LEU A 66 2.081 -6.584 7.114 1.00 0.43 H new ATOM 0 HA LEU A 66 2.476 -4.456 9.085 1.00 0.43 H new ATOM 0 HB2 LEU A 66 1.691 -4.373 6.169 1.00 0.44 H new ATOM 0 HB3 LEU A 66 1.933 -2.968 7.188 1.00 0.44 H new ATOM 0 HG LEU A 66 4.050 -5.004 6.429 1.00 0.50 H new ATOM 0 HD11 LEU A 66 5.015 -3.120 5.172 1.00 0.57 H new ATOM 0 HD12 LEU A 66 3.381 -3.527 4.597 1.00 0.57 H new ATOM 0 HD13 LEU A 66 3.629 -2.106 5.640 1.00 0.57 H new ATOM 0 HD21 LEU A 66 5.638 -3.476 7.523 1.00 0.60 H new ATOM 0 HD22 LEU A 66 4.282 -2.462 8.069 1.00 0.60 H new ATOM 0 HD23 LEU A 66 4.448 -4.127 8.675 1.00 0.60 H new ATOM 995 N LYS A 67 -0.002 -3.392 8.841 1.00 0.45 N ATOM 996 CA LYS A 67 -1.361 -3.113 9.289 1.00 0.50 C ATOM 997 C LYS A 67 -2.023 -2.019 8.446 1.00 0.43 C ATOM 998 O LYS A 67 -2.898 -2.285 7.625 1.00 0.52 O ATOM 999 CB LYS A 67 -1.372 -2.684 10.775 1.00 0.64 C ATOM 1000 CG LYS A 67 -0.713 -3.669 11.725 1.00 0.85 C ATOM 1001 CD LYS A 67 -0.761 -3.227 13.202 1.00 0.88 C ATOM 1002 CE LYS A 67 0.250 -2.118 13.580 1.00 1.86 C ATOM 1003 NZ LYS A 67 -0.005 -0.801 12.940 1.00 2.69 N ATOM 0 H LYS A 67 0.584 -2.565 8.725 1.00 0.45 H new ATOM 0 HA LYS A 67 -1.929 -4.036 9.170 1.00 0.50 H new ATOM 0 HB2 LYS A 67 -0.869 -1.721 10.865 1.00 0.64 H new ATOM 0 HB3 LYS A 67 -2.405 -2.534 11.088 1.00 0.64 H new ATOM 0 HG2 LYS A 67 -1.203 -4.638 11.628 1.00 0.85 H new ATOM 0 HG3 LYS A 67 0.327 -3.807 11.429 1.00 0.85 H new ATOM 0 HD2 LYS A 67 -1.767 -2.875 13.429 1.00 0.88 H new ATOM 0 HD3 LYS A 67 -0.578 -4.097 13.833 1.00 0.88 H new ATOM 0 HE2 LYS A 67 0.239 -1.989 14.662 1.00 1.86 H new ATOM 0 HE3 LYS A 67 1.252 -2.451 13.309 1.00 1.86 H new ATOM 0 HZ1 LYS A 67 0.251 -0.039 13.600 1.00 2.69 H new ATOM 0 HZ2 LYS A 67 0.568 -0.718 12.076 1.00 2.69 H new ATOM 0 HZ3 LYS A 67 -1.013 -0.723 12.696 1.00 2.69 H new ATOM 1017 N THR A 68 -1.599 -0.798 8.651 1.00 0.37 N ATOM 1018 CA THR A 68 -2.194 0.331 7.998 1.00 0.35 C ATOM 1019 C THR A 68 -1.327 0.806 6.840 1.00 0.32 C ATOM 1020 O THR A 68 -0.305 0.189 6.507 1.00 0.33 O ATOM 1021 CB THR A 68 -2.359 1.519 8.992 1.00 0.38 C ATOM 1022 OG1 THR A 68 -1.070 1.907 9.498 1.00 0.36 O ATOM 1023 CG2 THR A 68 -3.269 1.163 10.159 1.00 0.46 C ATOM 0 H THR A 68 -0.829 -0.562 9.278 1.00 0.37 H new ATOM 0 HA THR A 68 -3.169 0.013 7.628 1.00 0.35 H new ATOM 0 HB THR A 68 -2.818 2.344 8.447 1.00 0.38 H new ATOM 0 HG1 THR A 68 -0.736 1.216 10.107 1.00 0.36 H new ATOM 0 HG21 THR A 68 -3.356 2.020 10.827 1.00 0.46 H new ATOM 0 HG22 THR A 68 -4.256 0.895 9.782 1.00 0.46 H new ATOM 0 HG23 THR A 68 -2.848 0.319 10.705 1.00 0.46 H new ATOM 1031 N VAL A 69 -1.700 1.933 6.266 1.00 0.33 N ATOM 1032 CA VAL A 69 -0.891 2.588 5.282 1.00 0.33 C ATOM 1033 C VAL A 69 0.235 3.323 5.986 1.00 0.34 C ATOM 1034 O VAL A 69 1.206 3.721 5.369 1.00 0.36 O ATOM 1035 CB VAL A 69 -1.681 3.563 4.353 1.00 0.39 C ATOM 1036 CG1 VAL A 69 -2.731 2.821 3.550 1.00 0.66 C ATOM 1037 CG2 VAL A 69 -2.331 4.673 5.152 1.00 0.56 C ATOM 0 H VAL A 69 -2.575 2.413 6.476 1.00 0.33 H new ATOM 0 HA VAL A 69 -0.500 1.814 4.622 1.00 0.33 H new ATOM 0 HB VAL A 69 -0.964 4.007 3.663 1.00 0.39 H new ATOM 0 HG11 VAL A 69 -3.266 3.525 2.912 1.00 0.66 H new ATOM 0 HG12 VAL A 69 -2.248 2.065 2.931 1.00 0.66 H new ATOM 0 HG13 VAL A 69 -3.435 2.339 4.229 1.00 0.66 H new ATOM 0 HG21 VAL A 69 -2.874 5.336 4.479 1.00 0.56 H new ATOM 0 HG22 VAL A 69 -3.024 4.243 5.875 1.00 0.56 H new ATOM 0 HG23 VAL A 69 -1.563 5.240 5.679 1.00 0.56 H new ATOM 1047 N GLY A 70 0.102 3.461 7.307 1.00 0.36 N ATOM 1048 CA GLY A 70 1.141 4.029 8.118 1.00 0.38 C ATOM 1049 C GLY A 70 2.252 3.031 8.235 1.00 0.39 C ATOM 1050 O GLY A 70 3.420 3.366 8.099 1.00 0.46 O ATOM 0 H GLY A 70 -0.729 3.179 7.827 1.00 0.36 H new ATOM 0 HA2 GLY A 70 1.508 4.953 7.671 1.00 0.38 H new ATOM 0 HA3 GLY A 70 0.755 4.283 9.105 1.00 0.38 H new ATOM 1054 N ASP A 71 1.867 1.779 8.421 1.00 0.42 N ATOM 1055 CA ASP A 71 2.823 0.670 8.467 1.00 0.50 C ATOM 1056 C ASP A 71 3.462 0.508 7.111 1.00 0.49 C ATOM 1057 O ASP A 71 4.668 0.300 6.988 1.00 0.58 O ATOM 1058 CB ASP A 71 2.124 -0.645 8.806 1.00 0.62 C ATOM 1059 CG ASP A 71 1.493 -0.683 10.158 1.00 0.82 C ATOM 1060 OD1 ASP A 71 0.376 -0.134 10.324 1.00 1.62 O ATOM 1061 OD2 ASP A 71 2.013 -1.341 11.045 1.00 1.00 O ATOM 0 H ASP A 71 0.894 1.498 8.544 1.00 0.42 H new ATOM 0 HA ASP A 71 3.564 0.898 9.233 1.00 0.50 H new ATOM 0 HB2 ASP A 71 1.357 -0.837 8.056 1.00 0.62 H new ATOM 0 HB3 ASP A 71 2.849 -1.456 8.735 1.00 0.62 H new ATOM 1066 N ALA A 72 2.634 0.649 6.084 1.00 0.43 N ATOM 1067 CA ALA A 72 3.060 0.469 4.723 1.00 0.48 C ATOM 1068 C ALA A 72 4.083 1.507 4.368 1.00 0.44 C ATOM 1069 O ALA A 72 5.149 1.178 3.872 1.00 0.47 O ATOM 1070 CB ALA A 72 1.872 0.537 3.775 1.00 0.51 C ATOM 0 H ALA A 72 1.648 0.892 6.183 1.00 0.43 H new ATOM 0 HA ALA A 72 3.512 -0.518 4.623 1.00 0.48 H new ATOM 0 HB1 ALA A 72 2.216 0.398 2.750 1.00 0.51 H new ATOM 0 HB2 ALA A 72 1.159 -0.248 4.028 1.00 0.51 H new ATOM 0 HB3 ALA A 72 1.388 1.509 3.867 1.00 0.51 H new ATOM 1076 N THR A 73 3.771 2.754 4.673 1.00 0.40 N ATOM 1077 CA THR A 73 4.650 3.843 4.393 1.00 0.39 C ATOM 1078 C THR A 73 6.004 3.678 5.053 1.00 0.39 C ATOM 1079 O THR A 73 7.011 3.768 4.364 1.00 0.41 O ATOM 1080 CB THR A 73 4.024 5.205 4.737 1.00 0.37 C ATOM 1081 OG1 THR A 73 3.360 5.159 5.991 1.00 0.36 O ATOM 1082 CG2 THR A 73 3.063 5.634 3.677 1.00 0.46 C ATOM 0 H THR A 73 2.897 3.026 5.122 1.00 0.40 H new ATOM 0 HA THR A 73 4.813 3.826 3.315 1.00 0.39 H new ATOM 0 HB THR A 73 4.835 5.931 4.795 1.00 0.37 H new ATOM 0 HG1 THR A 73 2.455 4.804 5.869 1.00 0.36 H new ATOM 0 HG21 THR A 73 2.634 6.600 3.944 1.00 0.46 H new ATOM 0 HG22 THR A 73 3.586 5.720 2.725 1.00 0.46 H new ATOM 0 HG23 THR A 73 2.266 4.895 3.588 1.00 0.46 H new ATOM 1090 N LYS A 74 6.018 3.390 6.376 1.00 0.47 N ATOM 1091 CA LYS A 74 7.273 3.200 7.134 1.00 0.53 C ATOM 1092 C LYS A 74 8.211 2.226 6.418 1.00 0.48 C ATOM 1093 O LYS A 74 9.409 2.509 6.253 1.00 0.55 O ATOM 1094 CB LYS A 74 7.008 2.680 8.563 1.00 0.65 C ATOM 1095 CG LYS A 74 6.233 3.619 9.491 1.00 1.26 C ATOM 1096 CD LYS A 74 6.927 4.962 9.663 1.00 1.88 C ATOM 1097 CE LYS A 74 6.273 5.815 10.757 1.00 2.66 C ATOM 1098 NZ LYS A 74 4.836 6.071 10.517 1.00 3.54 N ATOM 0 H LYS A 74 5.174 3.285 6.938 1.00 0.47 H new ATOM 0 HA LYS A 74 7.746 4.180 7.198 1.00 0.53 H new ATOM 0 HB2 LYS A 74 6.459 1.741 8.490 1.00 0.65 H new ATOM 0 HB3 LYS A 74 7.967 2.453 9.028 1.00 0.65 H new ATOM 0 HG2 LYS A 74 5.232 3.778 9.090 1.00 1.26 H new ATOM 0 HG3 LYS A 74 6.114 3.146 10.466 1.00 1.26 H new ATOM 0 HD2 LYS A 74 7.976 4.798 9.910 1.00 1.88 H new ATOM 0 HD3 LYS A 74 6.903 5.505 8.718 1.00 1.88 H new ATOM 0 HE2 LYS A 74 6.390 5.314 11.718 1.00 2.66 H new ATOM 0 HE3 LYS A 74 6.798 6.768 10.828 1.00 2.66 H new ATOM 0 HZ1 LYS A 74 4.469 6.707 11.253 1.00 3.54 H new ATOM 0 HZ2 LYS A 74 4.713 6.514 9.584 1.00 3.54 H new ATOM 0 HZ3 LYS A 74 4.314 5.172 10.545 1.00 3.54 H new ATOM 1112 N TYR A 75 7.650 1.114 5.967 1.00 0.45 N ATOM 1113 CA TYR A 75 8.397 0.095 5.256 1.00 0.44 C ATOM 1114 C TYR A 75 8.816 0.584 3.860 1.00 0.40 C ATOM 1115 O TYR A 75 10.011 0.591 3.517 1.00 0.48 O ATOM 1116 CB TYR A 75 7.550 -1.192 5.125 1.00 0.49 C ATOM 1117 CG TYR A 75 8.253 -2.330 4.401 1.00 0.50 C ATOM 1118 CD1 TYR A 75 8.235 -2.425 3.005 1.00 0.52 C ATOM 1119 CD2 TYR A 75 8.947 -3.291 5.108 1.00 0.68 C ATOM 1120 CE1 TYR A 75 8.884 -3.443 2.352 1.00 0.61 C ATOM 1121 CE2 TYR A 75 9.599 -4.313 4.461 1.00 0.77 C ATOM 1122 CZ TYR A 75 9.571 -4.386 3.089 1.00 0.69 C ATOM 1123 OH TYR A 75 10.232 -5.406 2.454 1.00 0.83 O ATOM 0 H TYR A 75 6.661 0.895 6.086 1.00 0.45 H new ATOM 0 HA TYR A 75 9.299 -0.120 5.829 1.00 0.44 H new ATOM 0 HB2 TYR A 75 7.267 -1.530 6.122 1.00 0.49 H new ATOM 0 HB3 TYR A 75 6.628 -0.954 4.595 1.00 0.49 H new ATOM 0 HD1 TYR A 75 7.700 -1.683 2.430 1.00 0.52 H new ATOM 0 HD2 TYR A 75 8.978 -3.239 6.186 1.00 0.68 H new ATOM 0 HE1 TYR A 75 8.857 -3.505 1.274 1.00 0.61 H new ATOM 0 HE2 TYR A 75 10.133 -5.059 5.031 1.00 0.77 H new ATOM 0 HH TYR A 75 10.664 -5.980 3.120 1.00 0.83 H new ATOM 1133 N ILE A 76 7.829 0.985 3.068 1.00 0.37 N ATOM 1134 CA ILE A 76 8.033 1.365 1.670 1.00 0.43 C ATOM 1135 C ILE A 76 9.024 2.491 1.529 1.00 0.52 C ATOM 1136 O ILE A 76 10.035 2.327 0.853 1.00 0.65 O ATOM 1137 CB ILE A 76 6.709 1.769 0.990 1.00 0.45 C ATOM 1138 CG1 ILE A 76 5.752 0.589 0.967 1.00 0.48 C ATOM 1139 CG2 ILE A 76 6.960 2.268 -0.441 1.00 0.59 C ATOM 1140 CD1 ILE A 76 4.388 0.960 0.479 1.00 0.55 C ATOM 0 H ILE A 76 6.859 1.057 3.376 1.00 0.37 H new ATOM 0 HA ILE A 76 8.434 0.481 1.174 1.00 0.43 H new ATOM 0 HB ILE A 76 6.263 2.581 1.565 1.00 0.45 H new ATOM 0 HG12 ILE A 76 6.162 -0.193 0.328 1.00 0.48 H new ATOM 0 HG13 ILE A 76 5.673 0.171 1.971 1.00 0.48 H new ATOM 0 HG21 ILE A 76 6.012 2.547 -0.901 1.00 0.59 H new ATOM 0 HG22 ILE A 76 7.619 3.136 -0.413 1.00 0.59 H new ATOM 0 HG23 ILE A 76 7.427 1.476 -1.026 1.00 0.59 H new ATOM 0 HD11 ILE A 76 3.747 0.078 0.484 1.00 0.55 H new ATOM 0 HD12 ILE A 76 3.962 1.721 1.133 1.00 0.55 H new ATOM 0 HD13 ILE A 76 4.459 1.351 -0.536 1.00 0.55 H new ATOM 1152 N LEU A 77 8.764 3.612 2.200 1.00 0.52 N ATOM 1153 CA LEU A 77 9.585 4.807 2.040 1.00 0.71 C ATOM 1154 C LEU A 77 11.037 4.572 2.420 1.00 0.78 C ATOM 1155 O LEU A 77 11.926 5.281 1.959 1.00 0.96 O ATOM 1156 CB LEU A 77 8.971 6.072 2.726 1.00 0.86 C ATOM 1157 CG LEU A 77 8.800 6.096 4.265 1.00 0.88 C ATOM 1158 CD1 LEU A 77 10.120 6.298 5.000 1.00 1.74 C ATOM 1159 CD2 LEU A 77 7.799 7.160 4.662 1.00 0.99 C ATOM 0 H LEU A 77 7.992 3.716 2.858 1.00 0.52 H new ATOM 0 HA LEU A 77 9.584 5.028 0.973 1.00 0.71 H new ATOM 0 HB2 LEU A 77 9.591 6.926 2.453 1.00 0.86 H new ATOM 0 HB3 LEU A 77 7.988 6.238 2.285 1.00 0.86 H new ATOM 0 HG LEU A 77 8.424 5.117 4.563 1.00 0.88 H new ATOM 0 HD11 LEU A 77 9.940 6.307 6.075 1.00 1.74 H new ATOM 0 HD12 LEU A 77 10.802 5.485 4.753 1.00 1.74 H new ATOM 0 HD13 LEU A 77 10.563 7.247 4.699 1.00 1.74 H new ATOM 0 HD21 LEU A 77 7.687 7.168 5.746 1.00 0.99 H new ATOM 0 HD22 LEU A 77 8.152 8.135 4.327 1.00 0.99 H new ATOM 0 HD23 LEU A 77 6.836 6.944 4.199 1.00 0.99 H new ATOM 1171 N ASP A 78 11.263 3.556 3.232 1.00 0.71 N ATOM 1172 CA ASP A 78 12.617 3.222 3.684 1.00 0.84 C ATOM 1173 C ASP A 78 13.360 2.442 2.610 1.00 0.94 C ATOM 1174 O ASP A 78 14.552 2.633 2.389 1.00 1.09 O ATOM 1175 CB ASP A 78 12.579 2.383 4.966 1.00 0.91 C ATOM 1176 CG ASP A 78 13.966 2.065 5.507 1.00 1.15 C ATOM 1177 OD1 ASP A 78 14.609 1.098 5.053 1.00 1.26 O ATOM 1178 OD2 ASP A 78 14.429 2.777 6.422 1.00 1.32 O ATOM 0 H ASP A 78 10.533 2.944 3.596 1.00 0.71 H new ATOM 0 HA ASP A 78 13.135 4.160 3.884 1.00 0.84 H new ATOM 0 HB2 ASP A 78 12.011 2.918 5.727 1.00 0.91 H new ATOM 0 HB3 ASP A 78 12.049 1.451 4.769 1.00 0.91 H new