USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 528 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 17 SER OG : rot -169:sc= 0.59 USER MOD Set 1.2: A 48 THR OG1 : rot 157:sc= 0.248 USER MOD Single : A 6 THR OG1 : rot -13:sc= 0.461 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0807 USER MOD Single : A 40 TYR OH : rot 30:sc= -0.128 USER MOD Single : A 42 SER OG : rot -86:sc= -0.0262 USER MOD Single : A 46 MET CE :methyl -141:sc= 0 (180deg=-0.735) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00966 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 42:sc= 0.0225 USER MOD Single : A 70 THR OG1 : rot -68:sc= 1.22 USER MOD Single : A 79 ASN : amide:sc= 0.112 K(o=0.11,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 12.168 -6.437 -1.464 1.00 0.66 N ATOM 45 CA LEU A 4 11.124 -6.032 -2.353 1.00 0.56 C ATOM 46 C LEU A 4 9.847 -6.612 -1.824 1.00 0.50 C ATOM 47 O LEU A 4 9.691 -7.838 -1.772 1.00 0.76 O ATOM 48 CB LEU A 4 11.400 -6.512 -3.783 1.00 0.65 C ATOM 49 CG LEU A 4 12.695 -5.997 -4.429 1.00 0.79 C ATOM 50 CD1 LEU A 4 12.842 -6.547 -5.834 1.00 0.96 C ATOM 51 CD2 LEU A 4 12.727 -4.472 -4.447 1.00 0.86 C ATOM 0 HA LEU A 4 11.060 -4.945 -2.400 1.00 0.56 H new ATOM 0 HB2 LEU A 4 11.427 -7.602 -3.780 1.00 0.65 H new ATOM 0 HB3 LEU A 4 10.561 -6.216 -4.413 1.00 0.65 H new ATOM 0 HG LEU A 4 13.535 -6.346 -3.829 1.00 0.79 H new ATOM 0 HD11 LEU A 4 13.765 -6.172 -6.277 1.00 0.96 H new ATOM 0 HD12 LEU A 4 12.874 -7.636 -5.797 1.00 0.96 H new ATOM 0 HD13 LEU A 4 11.993 -6.229 -6.440 1.00 0.96 H new ATOM 0 HD21 LEU A 4 13.654 -4.133 -4.909 1.00 0.86 H new ATOM 0 HD22 LEU A 4 11.878 -4.097 -5.019 1.00 0.86 H new ATOM 0 HD23 LEU A 4 12.672 -4.095 -3.426 1.00 0.86 H new ATOM 63 N LEU A 5 8.970 -5.752 -1.372 1.00 0.36 N ATOM 64 CA LEU A 5 7.743 -6.187 -0.746 1.00 0.36 C ATOM 65 C LEU A 5 6.830 -6.868 -1.717 1.00 0.39 C ATOM 66 O LEU A 5 6.698 -6.442 -2.870 1.00 0.52 O ATOM 67 CB LEU A 5 7.011 -5.045 -0.063 1.00 0.42 C ATOM 68 CG LEU A 5 7.768 -4.316 1.032 1.00 0.51 C ATOM 69 CD1 LEU A 5 6.816 -3.449 1.818 1.00 0.61 C ATOM 70 CD2 LEU A 5 8.493 -5.291 1.942 1.00 0.54 C ATOM 0 H LEU A 5 9.082 -4.740 -1.425 1.00 0.36 H new ATOM 0 HA LEU A 5 8.036 -6.908 0.017 1.00 0.36 H new ATOM 0 HB2 LEU A 5 6.727 -4.318 -0.824 1.00 0.42 H new ATOM 0 HB3 LEU A 5 6.088 -5.438 0.363 1.00 0.42 H new ATOM 0 HG LEU A 5 8.524 -3.681 0.570 1.00 0.51 H new ATOM 0 HD11 LEU A 5 7.363 -2.927 2.603 1.00 0.61 H new ATOM 0 HD12 LEU A 5 6.353 -2.720 1.152 1.00 0.61 H new ATOM 0 HD13 LEU A 5 6.043 -4.072 2.267 1.00 0.61 H new ATOM 0 HD21 LEU A 5 9.026 -4.739 2.716 1.00 0.54 H new ATOM 0 HD22 LEU A 5 7.770 -5.961 2.407 1.00 0.54 H new ATOM 0 HD23 LEU A 5 9.204 -5.874 1.357 1.00 0.54 H new ATOM 82 N THR A 6 6.210 -7.899 -1.246 1.00 0.36 N ATOM 83 CA THR A 6 5.334 -8.683 -2.033 1.00 0.41 C ATOM 84 C THR A 6 3.870 -8.457 -1.623 1.00 0.30 C ATOM 85 O THR A 6 3.573 -7.551 -0.816 1.00 0.24 O ATOM 86 CB THR A 6 5.723 -10.178 -1.961 1.00 0.56 C ATOM 87 OG1 THR A 6 5.847 -10.597 -0.577 1.00 0.59 O ATOM 88 CG2 THR A 6 7.034 -10.436 -2.691 1.00 0.79 C ATOM 0 H THR A 6 6.304 -8.222 -0.283 1.00 0.36 H new ATOM 0 HA THR A 6 5.432 -8.366 -3.071 1.00 0.41 H new ATOM 0 HB THR A 6 4.935 -10.755 -2.446 1.00 0.56 H new ATOM 0 HG1 THR A 6 5.857 -9.808 0.004 1.00 0.59 H new ATOM 0 HG21 THR A 6 7.285 -11.495 -2.625 1.00 0.79 H new ATOM 0 HG22 THR A 6 6.929 -10.152 -3.738 1.00 0.79 H new ATOM 0 HG23 THR A 6 7.828 -9.846 -2.233 1.00 0.79 H new ATOM 96 N THR A 7 2.986 -9.282 -2.157 1.00 0.33 N ATOM 97 CA THR A 7 1.559 -9.227 -1.925 1.00 0.32 C ATOM 98 C THR A 7 1.212 -9.187 -0.429 1.00 0.24 C ATOM 99 O THR A 7 0.540 -8.264 0.027 1.00 0.26 O ATOM 100 CB THR A 7 0.968 -10.486 -2.547 1.00 0.44 C ATOM 101 OG1 THR A 7 1.495 -10.603 -3.881 1.00 0.55 O ATOM 102 CG2 THR A 7 -0.555 -10.419 -2.585 1.00 0.55 C ATOM 0 H THR A 7 3.256 -10.036 -2.788 1.00 0.33 H new ATOM 0 HA THR A 7 1.154 -8.316 -2.365 1.00 0.32 H new ATOM 0 HB THR A 7 1.238 -11.356 -1.948 1.00 0.44 H new ATOM 0 HG1 THR A 7 1.132 -11.408 -4.307 1.00 0.55 H new ATOM 0 HG21 THR A 7 -0.948 -11.331 -3.034 1.00 0.55 H new ATOM 0 HG22 THR A 7 -0.940 -10.319 -1.570 1.00 0.55 H new ATOM 0 HG23 THR A 7 -0.867 -9.559 -3.178 1.00 0.55 H new ATOM 110 N ASP A 8 1.702 -10.157 0.329 1.00 0.28 N ATOM 111 CA ASP A 8 1.380 -10.246 1.751 1.00 0.31 C ATOM 112 C ASP A 8 1.946 -9.081 2.551 1.00 0.24 C ATOM 113 O ASP A 8 1.346 -8.655 3.520 1.00 0.28 O ATOM 114 CB ASP A 8 1.813 -11.579 2.346 1.00 0.46 C ATOM 115 CG ASP A 8 1.579 -11.663 3.838 1.00 0.94 C ATOM 116 OD1 ASP A 8 0.418 -11.793 4.277 1.00 1.01 O ATOM 117 OD2 ASP A 8 2.573 -11.589 4.598 1.00 1.61 O ATOM 0 H ASP A 8 2.322 -10.892 -0.012 1.00 0.28 H new ATOM 0 HA ASP A 8 0.294 -10.185 1.822 1.00 0.31 H new ATOM 0 HB2 ASP A 8 1.270 -12.385 1.852 1.00 0.46 H new ATOM 0 HB3 ASP A 8 2.872 -11.736 2.140 1.00 0.46 H new ATOM 122 N ASP A 9 3.062 -8.518 2.106 1.00 0.24 N ATOM 123 CA ASP A 9 3.662 -7.371 2.813 1.00 0.28 C ATOM 124 C ASP A 9 2.726 -6.192 2.731 1.00 0.24 C ATOM 125 O ASP A 9 2.459 -5.517 3.725 1.00 0.30 O ATOM 126 CB ASP A 9 5.010 -6.952 2.217 1.00 0.38 C ATOM 127 CG ASP A 9 6.099 -7.984 2.335 1.00 1.05 C ATOM 128 OD1 ASP A 9 6.731 -8.082 3.420 1.00 1.12 O ATOM 129 OD2 ASP A 9 6.323 -8.743 1.371 1.00 1.78 O ATOM 0 H ASP A 9 3.570 -8.822 1.275 1.00 0.24 H new ATOM 0 HA ASP A 9 3.827 -7.682 3.845 1.00 0.28 H new ATOM 0 HB2 ASP A 9 4.867 -6.713 1.163 1.00 0.38 H new ATOM 0 HB3 ASP A 9 5.341 -6.037 2.709 1.00 0.38 H new ATOM 134 N LEU A 10 2.195 -5.980 1.542 1.00 0.19 N ATOM 135 CA LEU A 10 1.264 -4.902 1.294 1.00 0.23 C ATOM 136 C LEU A 10 -0.071 -5.212 1.979 1.00 0.24 C ATOM 137 O LEU A 10 -0.711 -4.333 2.540 1.00 0.30 O ATOM 138 CB LEU A 10 1.080 -4.719 -0.212 1.00 0.27 C ATOM 139 CG LEU A 10 0.236 -3.529 -0.658 1.00 0.38 C ATOM 140 CD1 LEU A 10 0.863 -2.222 -0.200 1.00 0.47 C ATOM 141 CD2 LEU A 10 0.080 -3.541 -2.161 1.00 0.47 C ATOM 0 H LEU A 10 2.399 -6.552 0.722 1.00 0.19 H new ATOM 0 HA LEU A 10 1.655 -3.972 1.706 1.00 0.23 H new ATOM 0 HB2 LEU A 10 2.066 -4.627 -0.667 1.00 0.27 H new ATOM 0 HB3 LEU A 10 0.628 -5.626 -0.613 1.00 0.27 H new ATOM 0 HG LEU A 10 -0.750 -3.611 -0.200 1.00 0.38 H new ATOM 0 HD11 LEU A 10 0.245 -1.387 -0.529 1.00 0.47 H new ATOM 0 HD12 LEU A 10 0.935 -2.214 0.888 1.00 0.47 H new ATOM 0 HD13 LEU A 10 1.860 -2.126 -0.630 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -0.524 -2.688 -2.471 1.00 0.47 H new ATOM 0 HD22 LEU A 10 1.062 -3.479 -2.629 1.00 0.47 H new ATOM 0 HD23 LEU A 10 -0.411 -4.464 -2.468 1.00 0.47 H new ATOM 153 N ARG A 11 -0.458 -6.476 1.927 1.00 0.24 N ATOM 154 CA ARG A 11 -1.650 -6.999 2.603 1.00 0.30 C ATOM 155 C ARG A 11 -1.633 -6.609 4.082 1.00 0.33 C ATOM 156 O ARG A 11 -2.600 -6.049 4.596 1.00 0.38 O ATOM 157 CB ARG A 11 -1.668 -8.518 2.453 1.00 0.36 C ATOM 158 CG ARG A 11 -2.782 -9.252 3.164 1.00 0.51 C ATOM 159 CD ARG A 11 -2.558 -10.741 3.018 1.00 0.73 C ATOM 160 NE ARG A 11 -3.536 -11.549 3.743 1.00 0.97 N ATOM 161 CZ ARG A 11 -3.237 -12.690 4.373 1.00 1.30 C ATOM 162 NH1 ARG A 11 -1.969 -13.052 4.528 1.00 1.81 N ATOM 163 NH2 ARG A 11 -4.210 -13.445 4.876 1.00 1.98 N ATOM 0 H ARG A 11 0.053 -7.188 1.405 1.00 0.24 H new ATOM 0 HA ARG A 11 -2.547 -6.575 2.152 1.00 0.30 H new ATOM 0 HB2 ARG A 11 -1.726 -8.755 1.391 1.00 0.36 H new ATOM 0 HB3 ARG A 11 -0.717 -8.908 2.815 1.00 0.36 H new ATOM 0 HG2 ARG A 11 -2.803 -8.975 4.218 1.00 0.51 H new ATOM 0 HG3 ARG A 11 -3.747 -8.973 2.742 1.00 0.51 H new ATOM 0 HD2 ARG A 11 -2.593 -11.004 1.961 1.00 0.73 H new ATOM 0 HD3 ARG A 11 -1.558 -10.987 3.375 1.00 0.73 H new ATOM 0 HE ARG A 11 -4.502 -11.224 3.770 1.00 0.97 H new ATOM 0 HH11 ARG A 11 -1.222 -12.460 4.166 1.00 1.81 H new ATOM 0 HH12 ARG A 11 -1.742 -13.923 5.009 1.00 1.81 H new ATOM 0 HH21 ARG A 11 -5.183 -13.153 4.781 1.00 1.98 H new ATOM 0 HH22 ARG A 11 -3.983 -14.316 5.357 1.00 1.98 H new ATOM 177 N ARG A 12 -0.500 -6.888 4.741 1.00 0.33 N ATOM 178 CA ARG A 12 -0.284 -6.562 6.159 1.00 0.39 C ATOM 179 C ARG A 12 -0.479 -5.064 6.422 1.00 0.39 C ATOM 180 O ARG A 12 -0.947 -4.657 7.498 1.00 0.48 O ATOM 181 CB ARG A 12 1.121 -6.992 6.612 1.00 0.49 C ATOM 182 CG ARG A 12 1.380 -8.491 6.539 1.00 0.77 C ATOM 183 CD ARG A 12 2.796 -8.822 6.976 1.00 0.90 C ATOM 184 NE ARG A 12 3.125 -10.248 6.821 1.00 1.28 N ATOM 185 CZ ARG A 12 3.928 -10.948 7.637 1.00 1.77 C ATOM 186 NH1 ARG A 12 4.359 -10.423 8.774 1.00 2.08 N ATOM 187 NH2 ARG A 12 4.273 -12.194 7.336 1.00 2.59 N ATOM 0 H ARG A 12 0.298 -7.349 4.303 1.00 0.33 H new ATOM 0 HA ARG A 12 -1.026 -7.114 6.736 1.00 0.39 H new ATOM 0 HB2 ARG A 12 1.860 -6.479 5.997 1.00 0.49 H new ATOM 0 HB3 ARG A 12 1.275 -6.660 7.639 1.00 0.49 H new ATOM 0 HG2 ARG A 12 0.668 -9.018 7.174 1.00 0.77 H new ATOM 0 HG3 ARG A 12 1.219 -8.842 5.520 1.00 0.77 H new ATOM 0 HD2 ARG A 12 3.499 -8.227 6.393 1.00 0.90 H new ATOM 0 HD3 ARG A 12 2.925 -8.536 8.020 1.00 0.90 H new ATOM 0 HE ARG A 12 2.710 -10.743 6.032 1.00 1.28 H new ATOM 0 HH11 ARG A 12 4.081 -9.478 9.037 1.00 2.08 H new ATOM 0 HH12 ARG A 12 4.969 -10.964 9.387 1.00 2.08 H new ATOM 0 HH21 ARG A 12 3.927 -12.626 6.479 1.00 2.59 H new ATOM 0 HH22 ARG A 12 4.884 -12.719 7.962 1.00 2.59 H new ATOM 201 N ALA A 13 -0.118 -4.250 5.446 1.00 0.35 N ATOM 202 CA ALA A 13 -0.272 -2.815 5.555 1.00 0.41 C ATOM 203 C ALA A 13 -1.742 -2.428 5.456 1.00 0.42 C ATOM 204 O ALA A 13 -2.241 -1.679 6.289 1.00 0.50 O ATOM 205 CB ALA A 13 0.551 -2.093 4.499 1.00 0.48 C ATOM 0 H ALA A 13 0.286 -4.564 4.564 1.00 0.35 H new ATOM 0 HA ALA A 13 0.100 -2.507 6.532 1.00 0.41 H new ATOM 0 HB1 ALA A 13 0.416 -1.017 4.605 1.00 0.48 H new ATOM 0 HB2 ALA A 13 1.605 -2.341 4.627 1.00 0.48 H new ATOM 0 HB3 ALA A 13 0.223 -2.404 3.507 1.00 0.48 H new ATOM 211 N LEU A 14 -2.444 -2.998 4.475 1.00 0.41 N ATOM 212 CA LEU A 14 -3.866 -2.695 4.253 1.00 0.49 C ATOM 213 C LEU A 14 -4.761 -3.146 5.404 1.00 0.55 C ATOM 214 O LEU A 14 -5.870 -2.645 5.552 1.00 0.72 O ATOM 215 CB LEU A 14 -4.404 -3.233 2.906 1.00 0.51 C ATOM 216 CG LEU A 14 -4.219 -2.338 1.660 1.00 0.52 C ATOM 217 CD1 LEU A 14 -2.770 -2.160 1.277 1.00 0.93 C ATOM 218 CD2 LEU A 14 -5.015 -2.875 0.492 1.00 0.92 C ATOM 0 H LEU A 14 -2.053 -3.674 3.818 1.00 0.41 H new ATOM 0 HA LEU A 14 -3.908 -1.607 4.209 1.00 0.49 H new ATOM 0 HB2 LEU A 14 -3.921 -4.190 2.708 1.00 0.51 H new ATOM 0 HB3 LEU A 14 -5.469 -3.431 3.023 1.00 0.51 H new ATOM 0 HG LEU A 14 -4.598 -1.351 1.926 1.00 0.52 H new ATOM 0 HD11 LEU A 14 -2.702 -1.522 0.395 1.00 0.93 H new ATOM 0 HD12 LEU A 14 -2.230 -1.696 2.102 1.00 0.93 H new ATOM 0 HD13 LEU A 14 -2.330 -3.132 1.056 1.00 0.93 H new ATOM 0 HD21 LEU A 14 -4.870 -2.230 -0.374 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -4.677 -3.883 0.254 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -6.073 -2.900 0.753 1.00 0.92 H new ATOM 230 N VAL A 15 -4.297 -4.089 6.197 1.00 0.51 N ATOM 231 CA VAL A 15 -5.030 -4.499 7.391 1.00 0.60 C ATOM 232 C VAL A 15 -5.113 -3.304 8.353 1.00 0.58 C ATOM 233 O VAL A 15 -6.193 -2.773 8.611 1.00 0.66 O ATOM 234 CB VAL A 15 -4.336 -5.700 8.106 1.00 0.69 C ATOM 235 CG1 VAL A 15 -5.097 -6.093 9.370 1.00 0.81 C ATOM 236 CG2 VAL A 15 -4.238 -6.897 7.175 1.00 0.76 C ATOM 0 H VAL A 15 -3.421 -4.588 6.043 1.00 0.51 H new ATOM 0 HA VAL A 15 -6.028 -4.822 7.093 1.00 0.60 H new ATOM 0 HB VAL A 15 -3.330 -5.385 8.384 1.00 0.69 H new ATOM 0 HG11 VAL A 15 -4.595 -6.932 9.851 1.00 0.81 H new ATOM 0 HG12 VAL A 15 -5.126 -5.246 10.055 1.00 0.81 H new ATOM 0 HG13 VAL A 15 -6.115 -6.382 9.107 1.00 0.81 H new ATOM 0 HG21 VAL A 15 -3.751 -7.723 7.694 1.00 0.76 H new ATOM 0 HG22 VAL A 15 -5.238 -7.201 6.867 1.00 0.76 H new ATOM 0 HG23 VAL A 15 -3.654 -6.627 6.295 1.00 0.76 H new ATOM 246 N GLU A 16 -3.957 -2.857 8.827 1.00 0.55 N ATOM 247 CA GLU A 16 -3.887 -1.762 9.797 1.00 0.63 C ATOM 248 C GLU A 16 -4.327 -0.429 9.180 1.00 0.58 C ATOM 249 O GLU A 16 -4.799 0.460 9.879 1.00 0.67 O ATOM 250 CB GLU A 16 -2.462 -1.600 10.331 1.00 0.82 C ATOM 251 CG GLU A 16 -1.844 -2.856 10.917 1.00 1.16 C ATOM 252 CD GLU A 16 -0.497 -2.577 11.535 1.00 1.67 C ATOM 253 OE1 GLU A 16 0.411 -2.109 10.826 1.00 2.43 O ATOM 254 OE2 GLU A 16 -0.318 -2.824 12.752 1.00 1.83 O ATOM 0 H GLU A 16 -3.049 -3.235 8.556 1.00 0.55 H new ATOM 0 HA GLU A 16 -4.565 -2.021 10.611 1.00 0.63 H new ATOM 0 HB2 GLU A 16 -1.826 -1.246 9.520 1.00 0.82 H new ATOM 0 HB3 GLU A 16 -2.464 -0.824 11.097 1.00 0.82 H new ATOM 0 HG2 GLU A 16 -2.512 -3.273 11.671 1.00 1.16 H new ATOM 0 HG3 GLU A 16 -1.737 -3.608 10.135 1.00 1.16 H new ATOM 261 N SER A 17 -4.197 -0.309 7.875 1.00 0.52 N ATOM 262 CA SER A 17 -4.469 0.938 7.198 1.00 0.62 C ATOM 263 C SER A 17 -5.978 1.183 7.058 1.00 0.70 C ATOM 264 O SER A 17 -6.432 2.331 7.136 1.00 0.94 O ATOM 265 CB SER A 17 -3.781 0.940 5.828 1.00 0.67 C ATOM 266 OG SER A 17 -3.784 2.215 5.231 1.00 1.26 O ATOM 0 H SER A 17 -3.902 -1.067 7.260 1.00 0.52 H new ATOM 0 HA SER A 17 -4.067 1.754 7.798 1.00 0.62 H new ATOM 0 HB2 SER A 17 -2.753 0.596 5.940 1.00 0.67 H new ATOM 0 HB3 SER A 17 -4.284 0.232 5.170 1.00 0.67 H new ATOM 0 HG SER A 17 -3.499 2.139 4.296 1.00 1.26 H new ATOM 412 N PHE A 30 -4.401 -9.220 -4.502 1.00 0.50 N ATOM 413 CA PHE A 30 -5.399 -8.160 -4.529 1.00 0.39 C ATOM 414 C PHE A 30 -4.891 -6.994 -5.367 1.00 0.32 C ATOM 415 O PHE A 30 -5.520 -5.942 -5.447 1.00 0.31 O ATOM 416 CB PHE A 30 -5.712 -7.687 -3.091 1.00 0.39 C ATOM 417 CG PHE A 30 -4.511 -7.178 -2.323 1.00 0.38 C ATOM 418 CD1 PHE A 30 -3.658 -8.056 -1.681 1.00 0.47 C ATOM 419 CD2 PHE A 30 -4.235 -5.823 -2.258 1.00 0.41 C ATOM 420 CE1 PHE A 30 -2.562 -7.595 -0.986 1.00 0.55 C ATOM 421 CE2 PHE A 30 -3.143 -5.361 -1.565 1.00 0.48 C ATOM 422 CZ PHE A 30 -2.322 -6.244 -0.908 1.00 0.53 C ATOM 0 HA PHE A 30 -6.315 -8.546 -4.976 1.00 0.39 H new ATOM 0 HB2 PHE A 30 -6.460 -6.896 -3.137 1.00 0.39 H new ATOM 0 HB3 PHE A 30 -6.157 -8.515 -2.538 1.00 0.39 H new ATOM 0 HD1 PHE A 30 -3.854 -9.117 -1.725 1.00 0.47 H new ATOM 0 HD2 PHE A 30 -4.886 -5.121 -2.758 1.00 0.41 H new ATOM 0 HE1 PHE A 30 -1.893 -8.293 -0.504 1.00 0.55 H new ATOM 0 HE2 PHE A 30 -2.930 -4.303 -1.537 1.00 0.48 H new ATOM 0 HZ PHE A 30 -1.487 -5.877 -0.330 1.00 0.53 H new ATOM 432 N LEU A 31 -3.740 -7.198 -5.994 1.00 0.33 N ATOM 433 CA LEU A 31 -3.041 -6.165 -6.747 1.00 0.32 C ATOM 434 C LEU A 31 -3.844 -5.539 -7.895 1.00 0.28 C ATOM 435 O LEU A 31 -3.525 -4.439 -8.336 1.00 0.33 O ATOM 436 CB LEU A 31 -1.629 -6.607 -7.189 1.00 0.41 C ATOM 437 CG LEU A 31 -0.536 -6.657 -6.083 1.00 0.61 C ATOM 438 CD1 LEU A 31 -0.840 -7.683 -5.006 1.00 1.29 C ATOM 439 CD2 LEU A 31 0.826 -6.919 -6.688 1.00 0.98 C ATOM 0 H LEU A 31 -3.259 -8.098 -5.994 1.00 0.33 H new ATOM 0 HA LEU A 31 -2.918 -5.352 -6.031 1.00 0.32 H new ATOM 0 HB2 LEU A 31 -1.707 -7.598 -7.636 1.00 0.41 H new ATOM 0 HB3 LEU A 31 -1.290 -5.930 -7.973 1.00 0.41 H new ATOM 0 HG LEU A 31 -0.533 -5.679 -5.602 1.00 0.61 H new ATOM 0 HD11 LEU A 31 -0.045 -7.675 -4.261 1.00 1.29 H new ATOM 0 HD12 LEU A 31 -1.788 -7.438 -4.527 1.00 1.29 H new ATOM 0 HD13 LEU A 31 -0.906 -8.674 -5.456 1.00 1.29 H new ATOM 0 HD21 LEU A 31 1.576 -6.950 -5.897 1.00 0.98 H new ATOM 0 HD22 LEU A 31 0.813 -7.874 -7.213 1.00 0.98 H new ATOM 0 HD23 LEU A 31 1.072 -6.122 -7.390 1.00 0.98 H new ATOM 451 N ASP A 32 -4.873 -6.235 -8.362 1.00 0.32 N ATOM 452 CA ASP A 32 -5.693 -5.755 -9.484 1.00 0.43 C ATOM 453 C ASP A 32 -6.961 -5.056 -9.022 1.00 0.36 C ATOM 454 O ASP A 32 -7.745 -4.565 -9.850 1.00 0.42 O ATOM 455 CB ASP A 32 -6.068 -6.903 -10.444 1.00 0.69 C ATOM 456 CG ASP A 32 -4.878 -7.507 -11.138 1.00 1.22 C ATOM 457 OD1 ASP A 32 -4.382 -6.926 -12.147 1.00 1.74 O ATOM 458 OD2 ASP A 32 -4.413 -8.585 -10.711 1.00 1.99 O ATOM 0 H ASP A 32 -5.166 -7.136 -7.985 1.00 0.32 H new ATOM 0 HA ASP A 32 -5.075 -5.029 -10.013 1.00 0.43 H new ATOM 0 HB2 ASP A 32 -6.588 -7.681 -9.885 1.00 0.69 H new ATOM 0 HB3 ASP A 32 -6.766 -6.529 -11.193 1.00 0.69 H new ATOM 463 N LEU A 33 -7.168 -4.995 -7.724 1.00 0.32 N ATOM 464 CA LEU A 33 -8.354 -4.357 -7.178 1.00 0.33 C ATOM 465 C LEU A 33 -8.171 -2.857 -7.135 1.00 0.31 C ATOM 466 O LEU A 33 -7.092 -2.379 -6.873 1.00 0.45 O ATOM 467 CB LEU A 33 -8.652 -4.868 -5.770 1.00 0.40 C ATOM 468 CG LEU A 33 -8.994 -6.348 -5.641 1.00 0.47 C ATOM 469 CD1 LEU A 33 -9.250 -6.692 -4.189 1.00 0.57 C ATOM 470 CD2 LEU A 33 -10.209 -6.689 -6.485 1.00 0.58 C ATOM 0 H LEU A 33 -6.532 -5.378 -7.024 1.00 0.32 H new ATOM 0 HA LEU A 33 -9.193 -4.604 -7.828 1.00 0.33 H new ATOM 0 HB2 LEU A 33 -7.785 -4.662 -5.142 1.00 0.40 H new ATOM 0 HB3 LEU A 33 -9.483 -4.290 -5.366 1.00 0.40 H new ATOM 0 HG LEU A 33 -8.150 -6.936 -6.002 1.00 0.47 H new ATOM 0 HD11 LEU A 33 -9.494 -7.751 -4.103 1.00 0.57 H new ATOM 0 HD12 LEU A 33 -8.358 -6.477 -3.601 1.00 0.57 H new ATOM 0 HD13 LEU A 33 -10.083 -6.097 -3.815 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -10.438 -7.749 -6.381 1.00 0.58 H new ATOM 0 HD22 LEU A 33 -11.062 -6.098 -6.150 1.00 0.58 H new ATOM 0 HD23 LEU A 33 -10.000 -6.464 -7.531 1.00 0.58 H new ATOM 482 N ARG A 34 -9.205 -2.123 -7.418 1.00 0.28 N ATOM 483 CA ARG A 34 -9.121 -0.681 -7.321 1.00 0.31 C ATOM 484 C ARG A 34 -9.157 -0.278 -5.871 1.00 0.29 C ATOM 485 O ARG A 34 -9.999 -0.780 -5.118 1.00 0.34 O ATOM 486 CB ARG A 34 -10.303 0.011 -8.007 1.00 0.48 C ATOM 487 CG ARG A 34 -10.410 -0.187 -9.495 1.00 0.73 C ATOM 488 CD ARG A 34 -11.555 0.645 -10.065 1.00 1.02 C ATOM 489 NE ARG A 34 -12.884 0.241 -9.565 1.00 1.90 N ATOM 490 CZ ARG A 34 -13.936 1.080 -9.410 1.00 2.41 C ATOM 491 NH1 ARG A 34 -13.760 2.403 -9.453 1.00 2.17 N ATOM 492 NH2 ARG A 34 -15.148 0.595 -9.139 1.00 3.51 N ATOM 0 H ARG A 34 -10.111 -2.485 -7.715 1.00 0.28 H new ATOM 0 HA ARG A 34 -8.193 -0.380 -7.808 1.00 0.31 H new ATOM 0 HB2 ARG A 34 -11.224 -0.345 -7.546 1.00 0.48 H new ATOM 0 HB3 ARG A 34 -10.239 1.080 -7.806 1.00 0.48 H new ATOM 0 HG2 ARG A 34 -9.473 0.097 -9.974 1.00 0.73 H new ATOM 0 HG3 ARG A 34 -10.574 -1.242 -9.716 1.00 0.73 H new ATOM 0 HD2 ARG A 34 -11.388 1.694 -9.821 1.00 1.02 H new ATOM 0 HD3 ARG A 34 -11.545 0.565 -11.152 1.00 1.02 H new ATOM 0 HE ARG A 34 -13.020 -0.740 -9.319 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -12.828 2.789 -9.604 1.00 2.17 H new ATOM 0 HH12 ARG A 34 -14.558 3.028 -9.335 1.00 2.17 H new ATOM 0 HH21 ARG A 34 -15.286 -0.412 -9.048 1.00 3.51 H new ATOM 0 HH22 ARG A 34 -15.937 1.230 -9.023 1.00 3.51 H new ATOM 506 N PHE A 35 -8.244 0.586 -5.460 1.00 0.30 N ATOM 507 CA PHE A 35 -8.321 1.193 -4.137 1.00 0.34 C ATOM 508 C PHE A 35 -9.713 1.788 -3.903 1.00 0.38 C ATOM 509 O PHE A 35 -10.301 1.598 -2.836 1.00 0.41 O ATOM 510 CB PHE A 35 -7.226 2.239 -3.900 1.00 0.38 C ATOM 511 CG PHE A 35 -5.864 1.667 -3.595 1.00 0.37 C ATOM 512 CD1 PHE A 35 -5.625 0.972 -2.426 1.00 0.39 C ATOM 513 CD2 PHE A 35 -4.833 1.793 -4.510 1.00 0.40 C ATOM 514 CE1 PHE A 35 -4.386 0.425 -2.171 1.00 0.42 C ATOM 515 CE2 PHE A 35 -3.593 1.247 -4.265 1.00 0.44 C ATOM 516 CZ PHE A 35 -3.349 0.667 -2.974 1.00 0.44 C ATOM 0 H PHE A 35 -7.444 0.883 -6.018 1.00 0.30 H new ATOM 0 HA PHE A 35 -8.149 0.400 -3.409 1.00 0.34 H new ATOM 0 HB2 PHE A 35 -7.150 2.872 -4.784 1.00 0.38 H new ATOM 0 HB3 PHE A 35 -7.529 2.881 -3.073 1.00 0.38 H new ATOM 0 HD1 PHE A 35 -6.419 0.856 -1.703 1.00 0.39 H new ATOM 0 HD2 PHE A 35 -5.004 2.329 -5.432 1.00 0.40 H new ATOM 0 HE1 PHE A 35 -4.253 -0.210 -1.307 1.00 0.42 H new ATOM 0 HE2 PHE A 35 -2.824 1.255 -5.024 1.00 0.44 H new ATOM 0 HZ PHE A 35 -2.343 0.431 -2.659 1.00 0.44 H new ATOM 526 N GLU A 36 -10.254 2.445 -4.946 1.00 0.44 N ATOM 527 CA GLU A 36 -11.612 3.037 -4.933 1.00 0.52 C ATOM 528 C GLU A 36 -12.654 1.999 -4.524 1.00 0.52 C ATOM 529 O GLU A 36 -13.628 2.307 -3.830 1.00 0.58 O ATOM 530 CB GLU A 36 -12.001 3.518 -6.332 1.00 0.64 C ATOM 531 CG GLU A 36 -11.061 4.509 -6.965 1.00 1.23 C ATOM 532 CD GLU A 36 -11.494 4.873 -8.358 1.00 1.60 C ATOM 533 OE1 GLU A 36 -11.583 3.980 -9.221 1.00 1.97 O ATOM 534 OE2 GLU A 36 -11.796 6.063 -8.612 1.00 2.06 O ATOM 0 H GLU A 36 -9.761 2.583 -5.828 1.00 0.44 H new ATOM 0 HA GLU A 36 -11.590 3.865 -4.224 1.00 0.52 H new ATOM 0 HB2 GLU A 36 -12.079 2.650 -6.986 1.00 0.64 H new ATOM 0 HB3 GLU A 36 -12.993 3.968 -6.279 1.00 0.64 H new ATOM 0 HG2 GLU A 36 -11.013 5.409 -6.352 1.00 1.23 H new ATOM 0 HG3 GLU A 36 -10.055 4.090 -6.994 1.00 1.23 H new ATOM 541 N ASP A 37 -12.427 0.777 -4.946 1.00 0.49 N ATOM 542 CA ASP A 37 -13.358 -0.314 -4.739 1.00 0.55 C ATOM 543 C ASP A 37 -13.162 -0.956 -3.378 1.00 0.55 C ATOM 544 O ASP A 37 -14.113 -1.403 -2.755 1.00 0.66 O ATOM 545 CB ASP A 37 -13.198 -1.357 -5.854 1.00 0.62 C ATOM 546 CG ASP A 37 -14.127 -2.541 -5.708 1.00 0.74 C ATOM 547 OD1 ASP A 37 -15.289 -2.452 -6.124 1.00 0.92 O ATOM 548 OD2 ASP A 37 -13.709 -3.572 -5.150 1.00 0.86 O ATOM 0 H ASP A 37 -11.582 0.507 -5.449 1.00 0.49 H new ATOM 0 HA ASP A 37 -14.370 0.090 -4.771 1.00 0.55 H new ATOM 0 HB2 ASP A 37 -13.379 -0.879 -6.817 1.00 0.62 H new ATOM 0 HB3 ASP A 37 -12.168 -1.712 -5.864 1.00 0.62 H new ATOM 553 N ILE A 38 -11.940 -0.934 -2.879 1.00 0.47 N ATOM 554 CA ILE A 38 -11.640 -1.589 -1.611 1.00 0.51 C ATOM 555 C ILE A 38 -11.718 -0.624 -0.421 1.00 0.53 C ATOM 556 O ILE A 38 -11.232 -0.922 0.674 1.00 0.59 O ATOM 557 CB ILE A 38 -10.272 -2.335 -1.624 1.00 0.50 C ATOM 558 CG1 ILE A 38 -9.106 -1.350 -1.814 1.00 0.44 C ATOM 559 CG2 ILE A 38 -10.266 -3.393 -2.720 1.00 0.56 C ATOM 560 CD1 ILE A 38 -7.736 -1.998 -1.849 1.00 0.47 C ATOM 0 H ILE A 38 -11.144 -0.476 -3.323 1.00 0.47 H new ATOM 0 HA ILE A 38 -12.419 -2.341 -1.483 1.00 0.51 H new ATOM 0 HB ILE A 38 -10.138 -2.825 -0.660 1.00 0.50 H new ATOM 0 HG12 ILE A 38 -9.258 -0.801 -2.743 1.00 0.44 H new ATOM 0 HG13 ILE A 38 -9.128 -0.620 -1.005 1.00 0.44 H new ATOM 0 HG21 ILE A 38 -9.306 -3.909 -2.722 1.00 0.56 H new ATOM 0 HG22 ILE A 38 -11.064 -4.112 -2.536 1.00 0.56 H new ATOM 0 HG23 ILE A 38 -10.423 -2.916 -3.687 1.00 0.56 H new ATOM 0 HD11 ILE A 38 -6.974 -1.231 -1.986 1.00 0.47 H new ATOM 0 HD12 ILE A 38 -7.558 -2.523 -0.911 1.00 0.47 H new ATOM 0 HD13 ILE A 38 -7.690 -2.707 -2.676 1.00 0.47 H new ATOM 572 N GLY A 39 -12.394 0.492 -0.626 1.00 0.54 N ATOM 573 CA GLY A 39 -12.622 1.452 0.444 1.00 0.61 C ATOM 574 C GLY A 39 -11.450 2.389 0.701 1.00 0.55 C ATOM 575 O GLY A 39 -11.359 3.000 1.763 1.00 0.69 O ATOM 0 H GLY A 39 -12.796 0.758 -1.525 1.00 0.54 H new ATOM 0 HA2 GLY A 39 -13.502 2.047 0.202 1.00 0.61 H new ATOM 0 HA3 GLY A 39 -12.847 0.909 1.362 1.00 0.61 H new ATOM 579 N TYR A 40 -10.561 2.502 -0.250 1.00 0.45 N ATOM 580 CA TYR A 40 -9.426 3.391 -0.128 1.00 0.48 C ATOM 581 C TYR A 40 -9.599 4.582 -1.043 1.00 0.56 C ATOM 582 O TYR A 40 -9.396 4.490 -2.248 1.00 0.64 O ATOM 583 CB TYR A 40 -8.113 2.651 -0.419 1.00 0.43 C ATOM 584 CG TYR A 40 -7.620 1.788 0.720 1.00 0.55 C ATOM 585 CD1 TYR A 40 -8.376 0.722 1.150 1.00 0.73 C ATOM 586 CD2 TYR A 40 -6.396 2.011 1.340 1.00 0.74 C ATOM 587 CE1 TYR A 40 -7.942 -0.104 2.151 1.00 1.00 C ATOM 588 CE2 TYR A 40 -5.955 1.188 2.355 1.00 0.99 C ATOM 589 CZ TYR A 40 -6.697 0.290 2.854 1.00 1.11 C ATOM 590 OH TYR A 40 -6.313 -0.715 3.732 1.00 1.40 O ATOM 0 H TYR A 40 -10.599 1.985 -1.129 1.00 0.45 H new ATOM 0 HA TYR A 40 -9.375 3.752 0.899 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -8.250 2.025 -1.301 1.00 0.43 H new ATOM 0 HB3 TYR A 40 -7.344 3.383 -0.664 1.00 0.43 H new ATOM 0 HD1 TYR A 40 -9.333 0.533 0.687 1.00 0.73 H new ATOM 0 HD2 TYR A 40 -5.782 2.841 1.022 1.00 0.74 H new ATOM 0 HE1 TYR A 40 -8.481 -1.001 2.417 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -4.951 1.312 2.734 1.00 0.99 H new ATOM 0 HH TYR A 40 -6.606 -1.583 3.384 1.00 1.40 H new ATOM 600 N ASP A 41 -9.985 5.691 -0.463 1.00 0.74 N ATOM 601 CA ASP A 41 -10.280 6.898 -1.227 1.00 0.95 C ATOM 602 C ASP A 41 -9.032 7.723 -1.506 1.00 1.01 C ATOM 603 O ASP A 41 -8.829 8.185 -2.641 1.00 1.89 O ATOM 604 CB ASP A 41 -11.331 7.732 -0.505 1.00 1.15 C ATOM 605 CG ASP A 41 -11.642 9.035 -1.199 1.00 1.57 C ATOM 606 OD1 ASP A 41 -12.322 9.010 -2.228 1.00 2.07 O ATOM 607 OD2 ASP A 41 -11.183 10.107 -0.737 1.00 2.16 O ATOM 0 H ASP A 41 -10.106 5.792 0.545 1.00 0.74 H new ATOM 0 HA ASP A 41 -10.675 6.587 -2.194 1.00 0.95 H new ATOM 0 HB2 ASP A 41 -12.248 7.149 -0.415 1.00 1.15 H new ATOM 0 HB3 ASP A 41 -10.985 7.941 0.507 1.00 1.15 H new ATOM 612 N SER A 42 -8.180 7.855 -0.493 1.00 0.71 N ATOM 613 CA SER A 42 -6.935 8.628 -0.595 1.00 0.66 C ATOM 614 C SER A 42 -6.218 8.645 0.739 1.00 0.49 C ATOM 615 O SER A 42 -5.072 8.240 0.828 1.00 0.45 O ATOM 616 CB SER A 42 -7.225 10.074 -1.000 1.00 0.86 C ATOM 617 OG SER A 42 -8.172 10.649 -0.061 1.00 1.19 O ATOM 0 H SER A 42 -8.328 7.431 0.423 1.00 0.71 H new ATOM 0 HA SER A 42 -6.312 8.152 -1.352 1.00 0.66 H new ATOM 0 HB2 SER A 42 -6.303 10.655 -1.007 1.00 0.86 H new ATOM 0 HB3 SER A 42 -7.631 10.107 -2.011 1.00 0.86 H new ATOM 0 HG SER A 42 -9.085 10.435 -0.345 1.00 1.19 H new ATOM 622 N LEU A 43 -6.914 9.063 1.779 1.00 0.49 N ATOM 623 CA LEU A 43 -6.328 9.162 3.112 1.00 0.49 C ATOM 624 C LEU A 43 -5.940 7.796 3.630 1.00 0.42 C ATOM 625 O LEU A 43 -4.875 7.625 4.219 1.00 0.41 O ATOM 626 CB LEU A 43 -7.289 9.848 4.085 1.00 0.65 C ATOM 627 CG LEU A 43 -7.667 11.290 3.749 1.00 0.79 C ATOM 628 CD1 LEU A 43 -8.619 11.842 4.792 1.00 1.12 C ATOM 629 CD2 LEU A 43 -6.419 12.158 3.649 1.00 1.03 C ATOM 0 H LEU A 43 -7.894 9.343 1.730 1.00 0.49 H new ATOM 0 HA LEU A 43 -5.428 9.771 3.036 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -8.203 9.257 4.139 1.00 0.65 H new ATOM 0 HB3 LEU A 43 -6.841 9.833 5.078 1.00 0.65 H new ATOM 0 HG LEU A 43 -8.171 11.301 2.782 1.00 0.79 H new ATOM 0 HD11 LEU A 43 -8.879 12.870 4.539 1.00 1.12 H new ATOM 0 HD12 LEU A 43 -9.523 11.234 4.817 1.00 1.12 H new ATOM 0 HD13 LEU A 43 -8.139 11.819 5.771 1.00 1.12 H new ATOM 0 HD21 LEU A 43 -6.706 13.182 3.409 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -5.888 12.144 4.601 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -5.768 11.771 2.865 1.00 1.03 H new ATOM 641 N ALA A 44 -6.793 6.824 3.398 1.00 0.40 N ATOM 642 CA ALA A 44 -6.498 5.453 3.756 1.00 0.38 C ATOM 643 C ALA A 44 -5.327 4.938 2.929 1.00 0.32 C ATOM 644 O ALA A 44 -4.488 4.216 3.418 1.00 0.33 O ATOM 645 CB ALA A 44 -7.718 4.569 3.555 1.00 0.43 C ATOM 0 H ALA A 44 -7.704 6.958 2.959 1.00 0.40 H new ATOM 0 HA ALA A 44 -6.226 5.421 4.811 1.00 0.38 H new ATOM 0 HB1 ALA A 44 -7.473 3.543 3.830 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -8.535 4.928 4.182 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.022 4.601 2.509 1.00 0.43 H new ATOM 651 N LEU A 45 -5.279 5.348 1.673 1.00 0.30 N ATOM 652 CA LEU A 45 -4.240 4.912 0.745 1.00 0.28 C ATOM 653 C LEU A 45 -2.881 5.492 1.186 1.00 0.28 C ATOM 654 O LEU A 45 -1.856 4.805 1.182 1.00 0.29 O ATOM 655 CB LEU A 45 -4.611 5.372 -0.665 1.00 0.30 C ATOM 656 CG LEU A 45 -4.142 4.533 -1.827 1.00 0.30 C ATOM 657 CD1 LEU A 45 -4.724 5.063 -3.116 1.00 0.35 C ATOM 658 CD2 LEU A 45 -2.629 4.443 -1.923 1.00 0.37 C ATOM 0 H LEU A 45 -5.957 5.992 1.265 1.00 0.30 H new ATOM 0 HA LEU A 45 -4.159 3.825 0.746 1.00 0.28 H new ATOM 0 HB2 LEU A 45 -5.697 5.441 -0.719 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -4.220 6.380 -0.801 1.00 0.30 H new ATOM 0 HG LEU A 45 -4.501 3.519 -1.652 1.00 0.30 H new ATOM 0 HD11 LEU A 45 -4.380 4.451 -3.950 1.00 0.35 H new ATOM 0 HD12 LEU A 45 -5.812 5.028 -3.065 1.00 0.35 H new ATOM 0 HD13 LEU A 45 -4.401 6.093 -3.265 1.00 0.35 H new ATOM 0 HD21 LEU A 45 -2.355 3.826 -2.779 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -2.212 5.442 -2.048 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -2.233 3.996 -1.011 1.00 0.37 H new ATOM 670 N MET A 46 -2.898 6.756 1.586 1.00 0.30 N ATOM 671 CA MET A 46 -1.701 7.441 2.082 1.00 0.34 C ATOM 672 C MET A 46 -1.215 6.775 3.328 1.00 0.34 C ATOM 673 O MET A 46 -0.023 6.621 3.534 1.00 0.40 O ATOM 674 CB MET A 46 -1.991 8.908 2.392 1.00 0.39 C ATOM 675 CG MET A 46 -2.362 9.719 1.188 1.00 0.45 C ATOM 676 SD MET A 46 -2.722 11.434 1.581 1.00 0.68 S ATOM 677 CE MET A 46 -3.107 12.052 -0.050 1.00 1.44 C ATOM 0 H MET A 46 -3.736 7.338 1.578 1.00 0.30 H new ATOM 0 HA MET A 46 -0.941 7.388 1.303 1.00 0.34 H new ATOM 0 HB2 MET A 46 -2.801 8.963 3.119 1.00 0.39 H new ATOM 0 HB3 MET A 46 -1.112 9.351 2.860 1.00 0.39 H new ATOM 0 HG2 MET A 46 -1.546 9.681 0.466 1.00 0.45 H new ATOM 0 HG3 MET A 46 -3.233 9.271 0.709 1.00 0.45 H new ATOM 0 HE1 MET A 46 -2.695 13.055 -0.166 1.00 1.44 H new ATOM 0 HE2 MET A 46 -2.672 11.392 -0.801 1.00 1.44 H new ATOM 0 HE3 MET A 46 -4.189 12.087 -0.180 1.00 1.44 H new ATOM 687 N GLU A 47 -2.165 6.349 4.131 1.00 0.32 N ATOM 688 CA GLU A 47 -1.909 5.700 5.391 1.00 0.37 C ATOM 689 C GLU A 47 -1.134 4.395 5.148 1.00 0.32 C ATOM 690 O GLU A 47 -0.231 4.048 5.909 1.00 0.33 O ATOM 691 CB GLU A 47 -3.239 5.401 6.055 1.00 0.45 C ATOM 692 CG GLU A 47 -3.169 5.220 7.553 1.00 0.85 C ATOM 693 CD GLU A 47 -2.871 6.519 8.257 1.00 1.22 C ATOM 694 OE1 GLU A 47 -1.683 6.886 8.351 1.00 1.82 O ATOM 695 OE2 GLU A 47 -3.814 7.192 8.739 1.00 1.89 O ATOM 0 H GLU A 47 -3.158 6.448 3.918 1.00 0.32 H new ATOM 0 HA GLU A 47 -1.312 6.345 6.036 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -3.932 6.213 5.833 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.656 4.496 5.612 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -4.115 4.818 7.916 1.00 0.85 H new ATOM 0 HG3 GLU A 47 -2.398 4.489 7.796 1.00 0.85 H new ATOM 702 N THR A 48 -1.493 3.707 4.069 1.00 0.31 N ATOM 703 CA THR A 48 -0.838 2.488 3.635 1.00 0.30 C ATOM 704 C THR A 48 0.626 2.775 3.312 1.00 0.29 C ATOM 705 O THR A 48 1.536 2.123 3.847 1.00 0.32 O ATOM 706 CB THR A 48 -1.533 1.976 2.366 1.00 0.33 C ATOM 707 OG1 THR A 48 -2.911 1.725 2.645 1.00 0.40 O ATOM 708 CG2 THR A 48 -0.864 0.714 1.838 1.00 0.33 C ATOM 0 H THR A 48 -2.263 3.991 3.463 1.00 0.31 H new ATOM 0 HA THR A 48 -0.897 1.742 4.428 1.00 0.30 H new ATOM 0 HB THR A 48 -1.450 2.742 1.595 1.00 0.33 H new ATOM 0 HG1 THR A 48 -3.426 1.765 1.812 1.00 0.40 H new ATOM 0 HG21 THR A 48 -1.380 0.377 0.939 1.00 0.33 H new ATOM 0 HG22 THR A 48 0.178 0.927 1.600 1.00 0.33 H new ATOM 0 HG23 THR A 48 -0.910 -0.067 2.597 1.00 0.33 H new ATOM 716 N ALA A 49 0.838 3.745 2.433 1.00 0.29 N ATOM 717 CA ALA A 49 2.169 4.146 2.027 1.00 0.30 C ATOM 718 C ALA A 49 2.987 4.556 3.244 1.00 0.27 C ATOM 719 O ALA A 49 4.064 4.021 3.473 1.00 0.27 O ATOM 720 CB ALA A 49 2.090 5.285 1.026 1.00 0.36 C ATOM 0 H ALA A 49 0.090 4.273 1.984 1.00 0.29 H new ATOM 0 HA ALA A 49 2.663 3.301 1.548 1.00 0.30 H new ATOM 0 HB1 ALA A 49 3.097 5.578 0.728 1.00 0.36 H new ATOM 0 HB2 ALA A 49 1.532 4.960 0.148 1.00 0.36 H new ATOM 0 HB3 ALA A 49 1.585 6.136 1.482 1.00 0.36 H new ATOM 726 N ALA A 50 2.411 5.440 4.056 1.00 0.29 N ATOM 727 CA ALA A 50 3.042 5.965 5.270 1.00 0.31 C ATOM 728 C ALA A 50 3.409 4.855 6.246 1.00 0.30 C ATOM 729 O ALA A 50 4.437 4.924 6.915 1.00 0.32 O ATOM 730 CB ALA A 50 2.117 6.959 5.937 1.00 0.39 C ATOM 0 H ALA A 50 1.479 5.819 3.889 1.00 0.29 H new ATOM 0 HA ALA A 50 3.967 6.462 4.977 1.00 0.31 H new ATOM 0 HB1 ALA A 50 2.590 7.347 6.839 1.00 0.39 H new ATOM 0 HB2 ALA A 50 1.912 7.782 5.252 1.00 0.39 H new ATOM 0 HB3 ALA A 50 1.182 6.465 6.201 1.00 0.39 H new ATOM 736 N ARG A 51 2.576 3.820 6.284 1.00 0.32 N ATOM 737 CA ARG A 51 2.776 2.662 7.141 1.00 0.37 C ATOM 738 C ARG A 51 4.081 1.986 6.761 1.00 0.32 C ATOM 739 O ARG A 51 4.922 1.693 7.610 1.00 0.36 O ATOM 740 CB ARG A 51 1.628 1.661 6.911 1.00 0.51 C ATOM 741 CG ARG A 51 1.687 0.385 7.734 1.00 1.04 C ATOM 742 CD ARG A 51 0.893 0.486 9.026 1.00 1.15 C ATOM 743 NE ARG A 51 1.331 1.554 9.930 1.00 1.91 N ATOM 744 CZ ARG A 51 1.106 1.552 11.243 1.00 2.60 C ATOM 745 NH1 ARG A 51 0.637 0.461 11.835 1.00 2.86 N ATOM 746 NH2 ARG A 51 1.405 2.616 11.955 1.00 3.47 N ATOM 0 H ARG A 51 1.733 3.763 5.712 1.00 0.32 H new ATOM 0 HA ARG A 51 2.800 2.977 8.184 1.00 0.37 H new ATOM 0 HB2 ARG A 51 0.685 2.164 7.123 1.00 0.51 H new ATOM 0 HB3 ARG A 51 1.614 1.390 5.855 1.00 0.51 H new ATOM 0 HG2 ARG A 51 1.303 -0.444 7.140 1.00 1.04 H new ATOM 0 HG3 ARG A 51 2.727 0.155 7.968 1.00 1.04 H new ATOM 0 HD2 ARG A 51 -0.157 0.644 8.780 1.00 1.15 H new ATOM 0 HD3 ARG A 51 0.957 -0.466 9.552 1.00 1.15 H new ATOM 0 HE ARG A 51 1.837 2.344 9.530 1.00 1.91 H new ATOM 0 HH11 ARG A 51 0.449 -0.377 11.285 1.00 2.86 H new ATOM 0 HH12 ARG A 51 0.465 0.460 12.840 1.00 2.86 H new ATOM 0 HH21 ARG A 51 1.807 3.437 11.502 1.00 3.47 H new ATOM 0 HH22 ARG A 51 1.235 2.621 12.961 1.00 3.47 H new ATOM 760 N LEU A 52 4.222 1.713 5.485 1.00 0.27 N ATOM 761 CA LEU A 52 5.405 1.076 4.971 1.00 0.25 C ATOM 762 C LEU A 52 6.615 2.013 4.997 1.00 0.21 C ATOM 763 O LEU A 52 7.753 1.549 5.135 1.00 0.23 O ATOM 764 CB LEU A 52 5.152 0.468 3.588 1.00 0.29 C ATOM 765 CG LEU A 52 4.030 -0.583 3.544 1.00 0.36 C ATOM 766 CD1 LEU A 52 3.855 -1.128 2.146 1.00 0.44 C ATOM 767 CD2 LEU A 52 4.315 -1.718 4.521 1.00 0.44 C ATOM 0 H LEU A 52 3.519 1.927 4.777 1.00 0.27 H new ATOM 0 HA LEU A 52 5.653 0.248 5.636 1.00 0.25 H new ATOM 0 HB2 LEU A 52 4.907 1.271 2.892 1.00 0.29 H new ATOM 0 HB3 LEU A 52 6.075 0.009 3.233 1.00 0.29 H new ATOM 0 HG LEU A 52 3.102 -0.094 3.841 1.00 0.36 H new ATOM 0 HD11 LEU A 52 3.056 -1.869 2.142 1.00 0.44 H new ATOM 0 HD12 LEU A 52 3.599 -0.314 1.468 1.00 0.44 H new ATOM 0 HD13 LEU A 52 4.784 -1.594 1.818 1.00 0.44 H new ATOM 0 HD21 LEU A 52 3.509 -2.450 4.473 1.00 0.44 H new ATOM 0 HD22 LEU A 52 5.257 -2.198 4.256 1.00 0.44 H new ATOM 0 HD23 LEU A 52 4.383 -1.319 5.533 1.00 0.44 H new ATOM 779 N GLU A 53 6.368 3.326 4.865 1.00 0.19 N ATOM 780 CA GLU A 53 7.431 4.326 4.928 1.00 0.19 C ATOM 781 C GLU A 53 8.178 4.247 6.235 1.00 0.23 C ATOM 782 O GLU A 53 9.386 4.054 6.235 1.00 0.26 O ATOM 783 CB GLU A 53 6.931 5.759 4.679 1.00 0.22 C ATOM 784 CG GLU A 53 6.389 6.009 3.280 1.00 0.25 C ATOM 785 CD GLU A 53 6.090 7.462 3.013 1.00 0.33 C ATOM 786 OE1 GLU A 53 4.977 7.915 3.359 1.00 0.49 O ATOM 787 OE2 GLU A 53 6.943 8.178 2.457 1.00 0.38 O ATOM 0 H GLU A 53 5.437 3.715 4.714 1.00 0.19 H new ATOM 0 HA GLU A 53 8.116 4.087 4.114 1.00 0.19 H new ATOM 0 HB2 GLU A 53 6.149 5.987 5.403 1.00 0.22 H new ATOM 0 HB3 GLU A 53 7.751 6.453 4.866 1.00 0.22 H new ATOM 0 HG2 GLU A 53 7.113 5.653 2.547 1.00 0.25 H new ATOM 0 HG3 GLU A 53 5.479 5.425 3.139 1.00 0.25 H new ATOM 794 N SER A 54 7.460 4.351 7.330 1.00 0.31 N ATOM 795 CA SER A 54 8.051 4.291 8.647 1.00 0.40 C ATOM 796 C SER A 54 8.673 2.909 8.923 1.00 0.36 C ATOM 797 O SER A 54 9.763 2.798 9.498 1.00 0.39 O ATOM 798 CB SER A 54 6.977 4.623 9.676 1.00 0.53 C ATOM 799 OG SER A 54 5.831 3.814 9.462 1.00 1.17 O ATOM 0 H SER A 54 6.448 4.480 7.332 1.00 0.31 H new ATOM 0 HA SER A 54 8.860 5.018 8.712 1.00 0.40 H new ATOM 0 HB2 SER A 54 7.364 4.461 10.682 1.00 0.53 H new ATOM 0 HB3 SER A 54 6.707 5.677 9.604 1.00 0.53 H new ATOM 0 HG SER A 54 5.147 4.033 10.128 1.00 1.17 H new ATOM 805 N ARG A 55 7.971 1.884 8.493 1.00 0.35 N ATOM 806 CA ARG A 55 8.351 0.499 8.713 1.00 0.37 C ATOM 807 C ARG A 55 9.645 0.084 7.961 1.00 0.31 C ATOM 808 O ARG A 55 10.559 -0.485 8.561 1.00 0.36 O ATOM 809 CB ARG A 55 7.159 -0.401 8.358 1.00 0.48 C ATOM 810 CG ARG A 55 7.332 -1.881 8.632 1.00 0.61 C ATOM 811 CD ARG A 55 6.019 -2.613 8.383 1.00 0.85 C ATOM 812 NE ARG A 55 6.136 -4.062 8.560 1.00 1.35 N ATOM 813 CZ ARG A 55 5.112 -4.906 8.778 1.00 2.03 C ATOM 814 NH1 ARG A 55 3.863 -4.441 8.981 1.00 2.37 N ATOM 815 NH2 ARG A 55 5.342 -6.210 8.810 1.00 2.81 N ATOM 0 H ARG A 55 7.102 1.988 7.970 1.00 0.35 H new ATOM 0 HA ARG A 55 8.600 0.378 9.767 1.00 0.37 H new ATOM 0 HB2 ARG A 55 6.288 -0.050 8.911 1.00 0.48 H new ATOM 0 HB3 ARG A 55 6.937 -0.273 7.299 1.00 0.48 H new ATOM 0 HG2 ARG A 55 8.113 -2.289 7.991 1.00 0.61 H new ATOM 0 HG3 ARG A 55 7.653 -2.034 9.662 1.00 0.61 H new ATOM 0 HD2 ARG A 55 5.259 -2.228 9.063 1.00 0.85 H new ATOM 0 HD3 ARG A 55 5.677 -2.402 7.370 1.00 0.85 H new ATOM 0 HE ARG A 55 7.072 -4.465 8.514 1.00 1.35 H new ATOM 0 HH11 ARG A 55 3.685 -3.437 8.970 1.00 2.37 H new ATOM 0 HH12 ARG A 55 3.096 -5.093 9.145 1.00 2.37 H new ATOM 0 HH21 ARG A 55 6.288 -6.565 8.670 1.00 2.81 H new ATOM 0 HH22 ARG A 55 4.573 -6.860 8.975 1.00 2.81 H new ATOM 829 N TYR A 56 9.716 0.355 6.666 1.00 0.28 N ATOM 830 CA TYR A 56 10.864 -0.088 5.852 1.00 0.31 C ATOM 831 C TYR A 56 11.842 1.025 5.499 1.00 0.33 C ATOM 832 O TYR A 56 13.022 0.765 5.229 1.00 0.43 O ATOM 833 CB TYR A 56 10.390 -0.787 4.578 1.00 0.34 C ATOM 834 CG TYR A 56 9.710 -2.105 4.828 1.00 0.41 C ATOM 835 CD1 TYR A 56 10.439 -3.268 5.021 1.00 0.53 C ATOM 836 CD2 TYR A 56 8.328 -2.182 4.867 1.00 0.45 C ATOM 837 CE1 TYR A 56 9.808 -4.473 5.247 1.00 0.64 C ATOM 838 CE2 TYR A 56 7.687 -3.374 5.089 1.00 0.57 C ATOM 839 CZ TYR A 56 8.487 -4.548 5.296 1.00 0.66 C ATOM 840 OH TYR A 56 7.769 -5.709 5.502 1.00 0.80 O ATOM 0 H TYR A 56 9.005 0.874 6.150 1.00 0.28 H new ATOM 0 HA TYR A 56 11.410 -0.791 6.481 1.00 0.31 H new ATOM 0 HB2 TYR A 56 9.702 -0.128 4.047 1.00 0.34 H new ATOM 0 HB3 TYR A 56 11.246 -0.949 3.923 1.00 0.34 H new ATOM 0 HD1 TYR A 56 11.518 -3.230 4.994 1.00 0.53 H new ATOM 0 HD2 TYR A 56 7.743 -1.286 4.720 1.00 0.45 H new ATOM 0 HE1 TYR A 56 10.399 -5.367 5.386 1.00 0.64 H new ATOM 0 HE2 TYR A 56 6.609 -3.428 5.108 1.00 0.57 H new ATOM 0 HH TYR A 56 6.810 -5.506 5.497 1.00 0.80 H new ATOM 850 N GLY A 57 11.386 2.244 5.514 1.00 0.31 N ATOM 851 CA GLY A 57 12.242 3.334 5.120 1.00 0.38 C ATOM 852 C GLY A 57 12.063 3.660 3.662 1.00 0.38 C ATOM 853 O GLY A 57 13.009 3.615 2.883 1.00 0.53 O ATOM 0 H GLY A 57 10.441 2.510 5.790 1.00 0.31 H new ATOM 0 HA2 GLY A 57 12.018 4.214 5.723 1.00 0.38 H new ATOM 0 HA3 GLY A 57 13.282 3.072 5.313 1.00 0.38 H new ATOM 857 N VAL A 58 10.840 3.945 3.284 1.00 0.37 N ATOM 858 CA VAL A 58 10.528 4.303 1.915 1.00 0.37 C ATOM 859 C VAL A 58 10.036 5.730 1.839 1.00 0.34 C ATOM 860 O VAL A 58 9.900 6.391 2.871 1.00 0.33 O ATOM 861 CB VAL A 58 9.534 3.335 1.197 1.00 0.38 C ATOM 862 CG1 VAL A 58 10.097 1.954 1.132 1.00 0.45 C ATOM 863 CG2 VAL A 58 8.194 3.294 1.878 1.00 0.33 C ATOM 0 H VAL A 58 10.035 3.936 3.910 1.00 0.37 H new ATOM 0 HA VAL A 58 11.466 4.206 1.369 1.00 0.37 H new ATOM 0 HB VAL A 58 9.392 3.721 0.188 1.00 0.38 H new ATOM 0 HG11 VAL A 58 9.389 1.296 0.628 1.00 0.45 H new ATOM 0 HG12 VAL A 58 11.036 1.969 0.578 1.00 0.45 H new ATOM 0 HG13 VAL A 58 10.278 1.587 2.142 1.00 0.45 H new ATOM 0 HG21 VAL A 58 7.536 2.608 1.345 1.00 0.33 H new ATOM 0 HG22 VAL A 58 8.318 2.952 2.905 1.00 0.33 H new ATOM 0 HG23 VAL A 58 7.755 4.292 1.878 1.00 0.33 H new ATOM 873 N SER A 59 9.778 6.201 0.647 1.00 0.37 N ATOM 874 CA SER A 59 9.299 7.535 0.445 1.00 0.41 C ATOM 875 C SER A 59 8.259 7.574 -0.676 1.00 0.38 C ATOM 876 O SER A 59 8.570 7.320 -1.849 1.00 0.47 O ATOM 877 CB SER A 59 10.485 8.464 0.163 1.00 0.56 C ATOM 878 OG SER A 59 11.380 7.891 -0.795 1.00 1.54 O ATOM 0 H SER A 59 9.896 5.664 -0.212 1.00 0.37 H new ATOM 0 HA SER A 59 8.800 7.885 1.349 1.00 0.41 H new ATOM 0 HB2 SER A 59 10.119 9.422 -0.206 1.00 0.56 H new ATOM 0 HB3 SER A 59 11.021 8.664 1.091 1.00 0.56 H new ATOM 0 HG SER A 59 10.864 7.476 -1.517 1.00 1.54 H new ATOM 884 N ILE A 60 7.022 7.795 -0.294 1.00 0.31 N ATOM 885 CA ILE A 60 5.916 7.916 -1.231 1.00 0.31 C ATOM 886 C ILE A 60 5.254 9.274 -1.031 1.00 0.34 C ATOM 887 O ILE A 60 4.698 9.555 0.042 1.00 0.40 O ATOM 888 CB ILE A 60 4.814 6.771 -1.105 1.00 0.33 C ATOM 889 CG1 ILE A 60 5.316 5.385 -1.576 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.551 7.132 -1.892 1.00 0.35 C ATOM 891 CD1 ILE A 60 6.402 4.765 -0.745 1.00 0.59 C ATOM 0 H ILE A 60 6.747 7.898 0.683 1.00 0.31 H new ATOM 0 HA ILE A 60 6.343 7.811 -2.229 1.00 0.31 H new ATOM 0 HB ILE A 60 4.588 6.702 -0.041 1.00 0.33 H new ATOM 0 HG12 ILE A 60 4.467 4.701 -1.599 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.677 5.479 -2.600 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.817 6.333 -1.788 1.00 0.35 H new ATOM 0 HG22 ILE A 60 3.134 8.061 -1.504 1.00 0.35 H new ATOM 0 HG23 ILE A 60 3.802 7.259 -2.945 1.00 0.35 H new ATOM 0 HD11 ILE A 60 6.675 3.798 -1.167 1.00 0.59 H new ATOM 0 HD12 ILE A 60 7.274 5.418 -0.740 1.00 0.59 H new ATOM 0 HD13 ILE A 60 6.046 4.628 0.276 1.00 0.59 H new ATOM 903 N PRO A 61 5.354 10.151 -2.024 1.00 0.37 N ATOM 904 CA PRO A 61 4.742 11.477 -1.975 1.00 0.45 C ATOM 905 C PRO A 61 3.212 11.395 -1.874 1.00 0.41 C ATOM 906 O PRO A 61 2.587 10.485 -2.445 1.00 0.35 O ATOM 907 CB PRO A 61 5.153 12.105 -3.311 1.00 0.54 C ATOM 908 CG PRO A 61 6.336 11.328 -3.752 1.00 0.56 C ATOM 909 CD PRO A 61 6.098 9.938 -3.276 1.00 0.43 C ATOM 0 HA PRO A 61 5.063 12.049 -1.104 1.00 0.45 H new ATOM 0 HB2 PRO A 61 4.346 12.044 -4.041 1.00 0.54 H new ATOM 0 HB3 PRO A 61 5.396 13.161 -3.193 1.00 0.54 H new ATOM 0 HG2 PRO A 61 6.444 11.359 -4.836 1.00 0.56 H new ATOM 0 HG3 PRO A 61 7.254 11.736 -3.329 1.00 0.56 H new ATOM 0 HD2 PRO A 61 5.522 9.356 -3.996 1.00 0.43 H new ATOM 0 HD3 PRO A 61 7.032 9.402 -3.107 1.00 0.43 H new ATOM 917 N ASP A 62 2.626 12.343 -1.156 1.00 0.51 N ATOM 918 CA ASP A 62 1.165 12.428 -0.930 1.00 0.55 C ATOM 919 C ASP A 62 0.395 12.441 -2.238 1.00 0.45 C ATOM 920 O ASP A 62 -0.668 11.815 -2.352 1.00 0.46 O ATOM 921 CB ASP A 62 0.794 13.691 -0.136 1.00 0.77 C ATOM 922 CG ASP A 62 1.335 13.720 1.271 1.00 1.28 C ATOM 923 OD1 ASP A 62 2.521 14.056 1.463 1.00 1.64 O ATOM 924 OD2 ASP A 62 0.591 13.379 2.212 1.00 1.99 O ATOM 0 H ASP A 62 3.148 13.092 -0.702 1.00 0.51 H new ATOM 0 HA ASP A 62 0.892 11.541 -0.359 1.00 0.55 H new ATOM 0 HB2 ASP A 62 1.163 14.565 -0.673 1.00 0.77 H new ATOM 0 HB3 ASP A 62 -0.292 13.776 -0.097 1.00 0.77 H new ATOM 929 N ASP A 63 0.965 13.097 -3.248 1.00 0.44 N ATOM 930 CA ASP A 63 0.294 13.236 -4.548 1.00 0.45 C ATOM 931 C ASP A 63 0.252 11.902 -5.240 1.00 0.40 C ATOM 932 O ASP A 63 -0.739 11.547 -5.846 1.00 0.48 O ATOM 933 CB ASP A 63 1.024 14.215 -5.488 1.00 0.58 C ATOM 934 CG ASP A 63 1.181 15.614 -4.959 1.00 1.37 C ATOM 935 OD1 ASP A 63 0.216 16.402 -5.002 1.00 1.66 O ATOM 936 OD2 ASP A 63 2.294 15.962 -4.528 1.00 2.18 O ATOM 0 H ASP A 63 1.883 13.539 -3.196 1.00 0.44 H new ATOM 0 HA ASP A 63 -0.705 13.620 -4.342 1.00 0.45 H new ATOM 0 HB2 ASP A 63 2.013 13.814 -5.707 1.00 0.58 H new ATOM 0 HB3 ASP A 63 0.482 14.260 -6.432 1.00 0.58 H new ATOM 941 N VAL A 64 1.322 11.152 -5.090 1.00 0.34 N ATOM 942 CA VAL A 64 1.471 9.848 -5.726 1.00 0.37 C ATOM 943 C VAL A 64 0.630 8.808 -4.994 1.00 0.36 C ATOM 944 O VAL A 64 0.066 7.902 -5.612 1.00 0.43 O ATOM 945 CB VAL A 64 2.953 9.415 -5.742 1.00 0.45 C ATOM 946 CG1 VAL A 64 3.137 8.131 -6.524 1.00 0.57 C ATOM 947 CG2 VAL A 64 3.826 10.512 -6.330 1.00 0.50 C ATOM 0 H VAL A 64 2.123 11.426 -4.520 1.00 0.34 H new ATOM 0 HA VAL A 64 1.123 9.926 -6.756 1.00 0.37 H new ATOM 0 HB VAL A 64 3.258 9.237 -4.711 1.00 0.45 H new ATOM 0 HG11 VAL A 64 4.190 7.850 -6.519 1.00 0.57 H new ATOM 0 HG12 VAL A 64 2.547 7.338 -6.065 1.00 0.57 H new ATOM 0 HG13 VAL A 64 2.807 8.280 -7.552 1.00 0.57 H new ATOM 0 HG21 VAL A 64 4.866 10.187 -6.332 1.00 0.50 H new ATOM 0 HG22 VAL A 64 3.509 10.721 -7.352 1.00 0.50 H new ATOM 0 HG23 VAL A 64 3.729 11.416 -5.728 1.00 0.50 H new ATOM 957 N ALA A 65 0.558 8.942 -3.680 1.00 0.35 N ATOM 958 CA ALA A 65 -0.289 8.088 -2.872 1.00 0.39 C ATOM 959 C ALA A 65 -1.735 8.214 -3.351 1.00 0.41 C ATOM 960 O ALA A 65 -2.386 7.232 -3.629 1.00 0.45 O ATOM 961 CB ALA A 65 -0.160 8.451 -1.409 1.00 0.44 C ATOM 0 H ALA A 65 1.080 9.639 -3.150 1.00 0.35 H new ATOM 0 HA ALA A 65 0.025 7.050 -2.981 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -0.802 7.801 -0.815 1.00 0.44 H new ATOM 0 HB2 ALA A 65 0.876 8.325 -1.093 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -0.460 9.489 -1.264 1.00 0.44 H new ATOM 967 N GLY A 66 -2.193 9.442 -3.524 1.00 0.47 N ATOM 968 CA GLY A 66 -3.529 9.669 -4.056 1.00 0.55 C ATOM 969 C GLY A 66 -3.500 9.741 -5.581 1.00 0.58 C ATOM 970 O GLY A 66 -4.075 10.643 -6.189 1.00 0.81 O ATOM 0 H GLY A 66 -1.668 10.289 -3.307 1.00 0.47 H new ATOM 0 HA2 GLY A 66 -4.193 8.866 -3.738 1.00 0.55 H new ATOM 0 HA3 GLY A 66 -3.934 10.597 -3.651 1.00 0.55 H new ATOM 974 N ARG A 67 -2.807 8.807 -6.179 1.00 0.54 N ATOM 975 CA ARG A 67 -2.625 8.757 -7.623 1.00 0.61 C ATOM 976 C ARG A 67 -2.660 7.321 -8.112 1.00 0.52 C ATOM 977 O ARG A 67 -3.190 7.033 -9.175 1.00 0.59 O ATOM 978 CB ARG A 67 -1.297 9.419 -7.998 1.00 0.75 C ATOM 979 CG ARG A 67 -0.914 9.344 -9.453 1.00 1.32 C ATOM 980 CD ARG A 67 0.399 10.052 -9.696 1.00 1.55 C ATOM 981 NE ARG A 67 0.829 9.939 -11.086 1.00 1.97 N ATOM 982 CZ ARG A 67 1.025 10.969 -11.909 1.00 2.53 C ATOM 983 NH1 ARG A 67 0.828 12.213 -11.480 1.00 2.73 N ATOM 984 NH2 ARG A 67 1.430 10.758 -13.151 1.00 3.33 N ATOM 0 H ARG A 67 -2.344 8.047 -5.680 1.00 0.54 H new ATOM 0 HA ARG A 67 -3.439 9.300 -8.103 1.00 0.61 H new ATOM 0 HB2 ARG A 67 -1.341 10.469 -7.707 1.00 0.75 H new ATOM 0 HB3 ARG A 67 -0.504 8.958 -7.409 1.00 0.75 H new ATOM 0 HG2 ARG A 67 -0.833 8.301 -9.760 1.00 1.32 H new ATOM 0 HG3 ARG A 67 -1.695 9.796 -10.064 1.00 1.32 H new ATOM 0 HD2 ARG A 67 0.298 11.105 -9.432 1.00 1.55 H new ATOM 0 HD3 ARG A 67 1.164 9.631 -9.044 1.00 1.55 H new ATOM 0 HE ARG A 67 0.992 9.002 -11.455 1.00 1.97 H new ATOM 0 HH11 ARG A 67 0.527 12.380 -10.520 1.00 2.73 H new ATOM 0 HH12 ARG A 67 0.979 13.000 -12.111 1.00 2.73 H new ATOM 0 HH21 ARG A 67 1.593 9.806 -13.480 1.00 3.33 H new ATOM 0 HH22 ARG A 67 1.580 11.547 -13.780 1.00 3.33 H new ATOM 998 N VAL A 68 -2.116 6.434 -7.327 1.00 0.43 N ATOM 999 CA VAL A 68 -2.062 5.029 -7.684 1.00 0.39 C ATOM 1000 C VAL A 68 -3.432 4.364 -7.516 1.00 0.35 C ATOM 1001 O VAL A 68 -4.081 4.485 -6.478 1.00 0.45 O ATOM 1002 CB VAL A 68 -0.961 4.298 -6.875 1.00 0.39 C ATOM 1003 CG1 VAL A 68 0.404 4.747 -7.367 1.00 0.44 C ATOM 1004 CG2 VAL A 68 -1.079 4.610 -5.391 1.00 0.36 C ATOM 0 H VAL A 68 -1.697 6.655 -6.424 1.00 0.43 H new ATOM 0 HA VAL A 68 -1.797 4.954 -8.739 1.00 0.39 H new ATOM 0 HB VAL A 68 -1.083 3.224 -7.018 1.00 0.39 H new ATOM 0 HG11 VAL A 68 1.182 4.235 -6.800 1.00 0.44 H new ATOM 0 HG12 VAL A 68 0.507 4.505 -8.425 1.00 0.44 H new ATOM 0 HG13 VAL A 68 0.504 5.824 -7.230 1.00 0.44 H new ATOM 0 HG21 VAL A 68 -0.295 4.085 -4.845 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -0.973 5.684 -5.235 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.054 4.285 -5.027 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.865 3.702 -8.567 1.00 0.33 N ATOM 1015 CA ASP A 69 -5.203 3.112 -8.643 1.00 0.41 C ATOM 1016 C ASP A 69 -5.250 1.705 -8.063 1.00 0.28 C ATOM 1017 O ASP A 69 -6.109 1.396 -7.218 1.00 0.33 O ATOM 1018 CB ASP A 69 -5.688 3.124 -10.103 1.00 0.62 C ATOM 1019 CG ASP A 69 -6.963 2.342 -10.352 1.00 1.36 C ATOM 1020 OD1 ASP A 69 -7.989 2.657 -9.708 1.00 1.76 O ATOM 1021 OD2 ASP A 69 -6.961 1.397 -11.170 1.00 2.11 O ATOM 0 H ASP A 69 -3.302 3.552 -9.404 1.00 0.33 H new ATOM 0 HA ASP A 69 -5.873 3.718 -8.034 1.00 0.41 H new ATOM 0 HB2 ASP A 69 -5.845 4.158 -10.411 1.00 0.62 H new ATOM 0 HB3 ASP A 69 -4.899 2.719 -10.737 1.00 0.62 H new ATOM 1026 N THR A 70 -4.368 0.859 -8.508 1.00 0.30 N ATOM 1027 CA THR A 70 -4.307 -0.487 -8.003 1.00 0.27 C ATOM 1028 C THR A 70 -3.143 -0.647 -7.010 1.00 0.24 C ATOM 1029 O THR A 70 -2.157 0.104 -7.075 1.00 0.25 O ATOM 1030 CB THR A 70 -4.188 -1.514 -9.156 1.00 0.34 C ATOM 1031 OG1 THR A 70 -3.033 -1.239 -9.972 1.00 0.44 O ATOM 1032 CG2 THR A 70 -5.431 -1.486 -10.017 1.00 0.36 C ATOM 0 H THR A 70 -3.675 1.076 -9.224 1.00 0.30 H new ATOM 0 HA THR A 70 -5.239 -0.685 -7.473 1.00 0.27 H new ATOM 0 HB THR A 70 -4.078 -2.504 -8.712 1.00 0.34 H new ATOM 0 HG1 THR A 70 -3.171 -0.402 -10.462 1.00 0.44 H new ATOM 0 HG21 THR A 70 -5.332 -2.213 -10.823 1.00 0.36 H new ATOM 0 HG22 THR A 70 -6.301 -1.735 -9.409 1.00 0.36 H new ATOM 0 HG23 THR A 70 -5.558 -0.490 -10.441 1.00 0.36 H new ATOM 1040 N PRO A 71 -3.240 -1.614 -6.062 1.00 0.22 N ATOM 1041 CA PRO A 71 -2.198 -1.874 -5.067 1.00 0.22 C ATOM 1042 C PRO A 71 -0.853 -2.169 -5.703 1.00 0.22 C ATOM 1043 O PRO A 71 0.178 -1.854 -5.134 1.00 0.23 O ATOM 1044 CB PRO A 71 -2.719 -3.103 -4.327 1.00 0.26 C ATOM 1045 CG PRO A 71 -4.183 -3.017 -4.483 1.00 0.23 C ATOM 1046 CD PRO A 71 -4.391 -2.496 -5.862 1.00 0.23 C ATOM 0 HA PRO A 71 -2.024 -1.012 -4.423 1.00 0.22 H new ATOM 0 HB2 PRO A 71 -2.325 -4.024 -4.756 1.00 0.26 H new ATOM 0 HB3 PRO A 71 -2.428 -3.090 -3.277 1.00 0.26 H new ATOM 0 HG2 PRO A 71 -4.652 -3.992 -4.354 1.00 0.23 H new ATOM 0 HG3 PRO A 71 -4.621 -2.352 -3.739 1.00 0.23 H new ATOM 0 HD2 PRO A 71 -4.415 -3.300 -6.597 1.00 0.23 H new ATOM 0 HD3 PRO A 71 -5.333 -1.955 -5.951 1.00 0.23 H new ATOM 1054 N ARG A 72 -0.882 -2.789 -6.882 1.00 0.24 N ATOM 1055 CA ARG A 72 0.321 -3.079 -7.661 1.00 0.28 C ATOM 1056 C ARG A 72 1.154 -1.807 -7.878 1.00 0.27 C ATOM 1057 O ARG A 72 2.370 -1.811 -7.707 1.00 0.32 O ATOM 1058 CB ARG A 72 -0.066 -3.719 -8.994 1.00 0.40 C ATOM 1059 CG ARG A 72 1.104 -4.087 -9.896 1.00 0.70 C ATOM 1060 CD ARG A 72 0.619 -4.843 -11.117 1.00 0.74 C ATOM 1061 NE ARG A 72 0.033 -6.148 -10.755 1.00 1.18 N ATOM 1062 CZ ARG A 72 -1.218 -6.541 -11.053 1.00 1.71 C ATOM 1063 NH1 ARG A 72 -2.054 -5.717 -11.664 1.00 1.88 N ATOM 1064 NH2 ARG A 72 -1.647 -7.746 -10.701 1.00 2.72 N ATOM 0 H ARG A 72 -1.744 -3.106 -7.326 1.00 0.24 H new ATOM 0 HA ARG A 72 0.939 -3.783 -7.104 1.00 0.28 H new ATOM 0 HB2 ARG A 72 -0.647 -4.619 -8.792 1.00 0.40 H new ATOM 0 HB3 ARG A 72 -0.719 -3.033 -9.533 1.00 0.40 H new ATOM 0 HG2 ARG A 72 1.629 -3.184 -10.206 1.00 0.70 H new ATOM 0 HG3 ARG A 72 1.818 -4.698 -9.343 1.00 0.70 H new ATOM 0 HD2 ARG A 72 -0.124 -4.244 -11.644 1.00 0.74 H new ATOM 0 HD3 ARG A 72 1.451 -4.996 -11.804 1.00 0.74 H new ATOM 0 HE ARG A 72 0.622 -6.802 -10.239 1.00 1.18 H new ATOM 0 HH11 ARG A 72 -1.751 -4.775 -11.913 1.00 1.88 H new ATOM 0 HH12 ARG A 72 -3.001 -6.024 -11.886 1.00 1.88 H new ATOM 0 HH21 ARG A 72 -1.026 -8.382 -10.200 1.00 2.72 H new ATOM 0 HH22 ARG A 72 -2.597 -8.036 -10.931 1.00 2.72 H new ATOM 1078 N GLU A 73 0.466 -0.728 -8.216 1.00 0.24 N ATOM 1079 CA GLU A 73 1.073 0.577 -8.445 1.00 0.26 C ATOM 1080 C GLU A 73 1.708 1.116 -7.154 1.00 0.25 C ATOM 1081 O GLU A 73 2.823 1.621 -7.164 1.00 0.32 O ATOM 1082 CB GLU A 73 0.004 1.540 -8.954 1.00 0.33 C ATOM 1083 CG GLU A 73 -0.579 1.169 -10.306 1.00 0.50 C ATOM 1084 CD GLU A 73 -1.864 1.901 -10.601 1.00 1.41 C ATOM 1085 OE1 GLU A 73 -1.880 3.142 -10.643 1.00 1.82 O ATOM 1086 OE2 GLU A 73 -2.901 1.241 -10.736 1.00 2.21 O ATOM 0 H GLU A 73 -0.546 -0.733 -8.341 1.00 0.24 H new ATOM 0 HA GLU A 73 1.863 0.480 -9.190 1.00 0.26 H new ATOM 0 HB2 GLU A 73 -0.804 1.587 -8.224 1.00 0.33 H new ATOM 0 HB3 GLU A 73 0.433 2.540 -9.019 1.00 0.33 H new ATOM 0 HG2 GLU A 73 0.149 1.392 -11.086 1.00 0.50 H new ATOM 0 HG3 GLU A 73 -0.761 0.095 -10.337 1.00 0.50 H new ATOM 1093 N LEU A 74 1.003 0.957 -6.041 1.00 0.23 N ATOM 1094 CA LEU A 74 1.486 1.439 -4.746 1.00 0.26 C ATOM 1095 C LEU A 74 2.682 0.591 -4.309 1.00 0.25 C ATOM 1096 O LEU A 74 3.706 1.119 -3.879 1.00 0.28 O ATOM 1097 CB LEU A 74 0.326 1.388 -3.700 1.00 0.28 C ATOM 1098 CG LEU A 74 0.530 2.063 -2.301 1.00 0.31 C ATOM 1099 CD1 LEU A 74 1.478 1.291 -1.397 1.00 1.01 C ATOM 1100 CD2 LEU A 74 1.005 3.501 -2.455 1.00 1.11 C ATOM 0 H LEU A 74 0.093 0.498 -6.006 1.00 0.23 H new ATOM 0 HA LEU A 74 1.815 2.475 -4.825 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.551 1.844 -4.160 1.00 0.28 H new ATOM 0 HB3 LEU A 74 0.086 0.339 -3.527 1.00 0.28 H new ATOM 0 HG LEU A 74 -0.446 2.056 -1.817 1.00 0.31 H new ATOM 0 HD11 LEU A 74 1.576 1.811 -0.444 1.00 1.01 H new ATOM 0 HD12 LEU A 74 1.082 0.290 -1.225 1.00 1.01 H new ATOM 0 HD13 LEU A 74 2.456 1.218 -1.873 1.00 1.01 H new ATOM 0 HD21 LEU A 74 1.139 3.947 -1.470 1.00 1.11 H new ATOM 0 HD22 LEU A 74 1.953 3.515 -2.992 1.00 1.11 H new ATOM 0 HD23 LEU A 74 0.263 4.071 -3.014 1.00 1.11 H new ATOM 1112 N LEU A 75 2.543 -0.716 -4.443 1.00 0.24 N ATOM 1113 CA LEU A 75 3.590 -1.667 -4.099 1.00 0.28 C ATOM 1114 C LEU A 75 4.857 -1.385 -4.907 1.00 0.28 C ATOM 1115 O LEU A 75 5.976 -1.518 -4.396 1.00 0.30 O ATOM 1116 CB LEU A 75 3.107 -3.101 -4.338 1.00 0.32 C ATOM 1117 CG LEU A 75 4.038 -4.215 -3.857 1.00 0.39 C ATOM 1118 CD1 LEU A 75 4.239 -4.127 -2.351 1.00 0.46 C ATOM 1119 CD2 LEU A 75 3.471 -5.572 -4.238 1.00 0.48 C ATOM 0 H LEU A 75 1.692 -1.153 -4.797 1.00 0.24 H new ATOM 0 HA LEU A 75 3.827 -1.554 -3.041 1.00 0.28 H new ATOM 0 HB2 LEU A 75 2.142 -3.224 -3.846 1.00 0.32 H new ATOM 0 HB3 LEU A 75 2.939 -3.232 -5.407 1.00 0.32 H new ATOM 0 HG LEU A 75 5.007 -4.093 -4.341 1.00 0.39 H new ATOM 0 HD11 LEU A 75 4.904 -4.927 -2.025 1.00 0.46 H new ATOM 0 HD12 LEU A 75 4.680 -3.163 -2.099 1.00 0.46 H new ATOM 0 HD13 LEU A 75 3.277 -4.228 -1.849 1.00 0.46 H new ATOM 0 HD21 LEU A 75 4.142 -6.357 -3.890 1.00 0.48 H new ATOM 0 HD22 LEU A 75 2.492 -5.700 -3.776 1.00 0.48 H new ATOM 0 HD23 LEU A 75 3.371 -5.633 -5.322 1.00 0.48 H new ATOM 1131 N ASP A 76 4.663 -0.970 -6.152 1.00 0.28 N ATOM 1132 CA ASP A 76 5.759 -0.620 -7.057 1.00 0.33 C ATOM 1133 C ASP A 76 6.551 0.547 -6.501 1.00 0.30 C ATOM 1134 O ASP A 76 7.777 0.536 -6.518 1.00 0.32 O ATOM 1135 CB ASP A 76 5.217 -0.251 -8.435 1.00 0.43 C ATOM 1136 CG ASP A 76 6.307 0.004 -9.452 1.00 0.58 C ATOM 1137 OD1 ASP A 76 6.784 1.147 -9.587 1.00 0.68 O ATOM 1138 OD2 ASP A 76 6.683 -0.944 -10.166 1.00 0.72 O ATOM 0 H ASP A 76 3.738 -0.865 -6.568 1.00 0.28 H new ATOM 0 HA ASP A 76 6.412 -1.488 -7.149 1.00 0.33 H new ATOM 0 HB2 ASP A 76 4.575 -1.055 -8.794 1.00 0.43 H new ATOM 0 HB3 ASP A 76 4.594 0.639 -8.348 1.00 0.43 H new ATOM 1143 N LEU A 77 5.838 1.532 -5.963 1.00 0.29 N ATOM 1144 CA LEU A 77 6.452 2.721 -5.361 1.00 0.30 C ATOM 1145 C LEU A 77 7.312 2.307 -4.177 1.00 0.28 C ATOM 1146 O LEU A 77 8.397 2.860 -3.941 1.00 0.35 O ATOM 1147 CB LEU A 77 5.367 3.664 -4.852 1.00 0.35 C ATOM 1148 CG LEU A 77 4.307 4.095 -5.851 1.00 0.41 C ATOM 1149 CD1 LEU A 77 3.259 4.930 -5.152 1.00 0.49 C ATOM 1150 CD2 LEU A 77 4.927 4.866 -7.006 1.00 0.45 C ATOM 0 H LEU A 77 4.819 1.533 -5.930 1.00 0.29 H new ATOM 0 HA LEU A 77 7.059 3.220 -6.116 1.00 0.30 H new ATOM 0 HB2 LEU A 77 4.866 3.183 -4.012 1.00 0.35 H new ATOM 0 HB3 LEU A 77 5.851 4.560 -4.463 1.00 0.35 H new ATOM 0 HG LEU A 77 3.834 3.205 -6.265 1.00 0.41 H new ATOM 0 HD11 LEU A 77 2.500 5.238 -5.871 1.00 0.49 H new ATOM 0 HD12 LEU A 77 2.793 4.342 -4.362 1.00 0.49 H new ATOM 0 HD13 LEU A 77 3.727 5.814 -4.718 1.00 0.49 H new ATOM 0 HD21 LEU A 77 4.146 5.163 -7.706 1.00 0.45 H new ATOM 0 HD22 LEU A 77 5.428 5.755 -6.623 1.00 0.45 H new ATOM 0 HD23 LEU A 77 5.652 4.234 -7.518 1.00 0.45 H new ATOM 1162 N ILE A 78 6.805 1.344 -3.429 1.00 0.27 N ATOM 1163 CA ILE A 78 7.500 0.790 -2.286 1.00 0.29 C ATOM 1164 C ILE A 78 8.760 0.072 -2.778 1.00 0.30 C ATOM 1165 O ILE A 78 9.869 0.373 -2.335 1.00 0.31 O ATOM 1166 CB ILE A 78 6.613 -0.244 -1.541 1.00 0.30 C ATOM 1167 CG1 ILE A 78 5.241 0.347 -1.154 1.00 0.31 C ATOM 1168 CG2 ILE A 78 7.333 -0.750 -0.303 1.00 0.38 C ATOM 1169 CD1 ILE A 78 5.295 1.515 -0.194 1.00 0.38 C ATOM 0 H ILE A 78 5.892 0.922 -3.601 1.00 0.27 H new ATOM 0 HA ILE A 78 7.747 1.603 -1.604 1.00 0.29 H new ATOM 0 HB ILE A 78 6.432 -1.076 -2.222 1.00 0.30 H new ATOM 0 HG12 ILE A 78 4.731 0.666 -2.063 1.00 0.31 H new ATOM 0 HG13 ILE A 78 4.635 -0.442 -0.709 1.00 0.31 H new ATOM 0 HG21 ILE A 78 6.703 -1.475 0.213 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.269 -1.226 -0.595 1.00 0.38 H new ATOM 0 HG23 ILE A 78 7.544 0.087 0.363 1.00 0.38 H new ATOM 0 HD11 ILE A 78 4.283 1.860 0.017 1.00 0.38 H new ATOM 0 HD12 ILE A 78 5.772 1.201 0.734 1.00 0.38 H new ATOM 0 HD13 ILE A 78 5.869 2.327 -0.641 1.00 0.38 H new ATOM 1181 N ASN A 79 8.565 -0.879 -3.701 1.00 0.34 N ATOM 1182 CA ASN A 79 9.667 -1.680 -4.266 1.00 0.41 C ATOM 1183 C ASN A 79 10.737 -0.800 -4.874 1.00 0.38 C ATOM 1184 O ASN A 79 11.914 -1.009 -4.633 1.00 0.42 O ATOM 1185 CB ASN A 79 9.190 -2.710 -5.327 1.00 0.53 C ATOM 1186 CG ASN A 79 8.497 -3.970 -4.778 1.00 0.50 C ATOM 1187 OD1 ASN A 79 8.624 -5.052 -5.355 1.00 1.18 O ATOM 1188 ND2 ASN A 79 7.740 -3.857 -3.717 1.00 0.63 N ATOM 0 H ASN A 79 7.647 -1.116 -4.077 1.00 0.34 H new ATOM 0 HA ASN A 79 10.083 -2.234 -3.424 1.00 0.41 H new ATOM 0 HB2 ASN A 79 8.503 -2.209 -6.008 1.00 0.53 H new ATOM 0 HB3 ASN A 79 10.053 -3.021 -5.916 1.00 0.53 H new ATOM 0 HD21 ASN A 79 7.244 -4.672 -3.355 1.00 0.63 H new ATOM 0 HD22 ASN A 79 7.646 -2.954 -3.251 1.00 0.63 H new ATOM 1195 N GLY A 80 10.315 0.203 -5.629 1.00 0.38 N ATOM 1196 CA GLY A 80 11.236 1.119 -6.276 1.00 0.42 C ATOM 1197 C GLY A 80 12.108 1.868 -5.295 1.00 0.38 C ATOM 1198 O GLY A 80 13.315 2.028 -5.519 1.00 0.46 O ATOM 0 H GLY A 80 9.331 0.402 -5.808 1.00 0.38 H new ATOM 0 HA2 GLY A 80 11.870 0.562 -6.966 1.00 0.42 H new ATOM 0 HA3 GLY A 80 10.670 1.835 -6.871 1.00 0.42 H new ATOM 1202 N ALA A 81 11.512 2.301 -4.199 1.00 0.31 N ATOM 1203 CA ALA A 81 12.237 3.015 -3.175 1.00 0.32 C ATOM 1204 C ALA A 81 13.181 2.072 -2.438 1.00 0.33 C ATOM 1205 O ALA A 81 14.338 2.415 -2.186 1.00 0.45 O ATOM 1206 CB ALA A 81 11.277 3.686 -2.204 1.00 0.33 C ATOM 0 H ALA A 81 10.521 2.167 -3.999 1.00 0.31 H new ATOM 0 HA ALA A 81 12.832 3.793 -3.653 1.00 0.32 H new ATOM 0 HB1 ALA A 81 11.845 4.218 -1.441 1.00 0.33 H new ATOM 0 HB2 ALA A 81 10.646 4.391 -2.745 1.00 0.33 H new ATOM 0 HB3 ALA A 81 10.652 2.930 -1.730 1.00 0.33 H new ATOM 1212 N LEU A 82 12.696 0.871 -2.142 1.00 0.29 N ATOM 1213 CA LEU A 82 13.485 -0.141 -1.444 1.00 0.36 C ATOM 1214 C LEU A 82 14.623 -0.675 -2.291 1.00 0.46 C ATOM 1215 O LEU A 82 15.659 -1.032 -1.767 1.00 0.61 O ATOM 1216 CB LEU A 82 12.602 -1.270 -0.905 1.00 0.42 C ATOM 1217 CG LEU A 82 11.753 -0.892 0.309 1.00 0.55 C ATOM 1218 CD1 LEU A 82 10.776 -1.995 0.664 1.00 0.74 C ATOM 1219 CD2 LEU A 82 12.652 -0.578 1.502 1.00 0.67 C ATOM 0 H LEU A 82 11.750 0.571 -2.377 1.00 0.29 H new ATOM 0 HA LEU A 82 13.943 0.355 -0.588 1.00 0.36 H new ATOM 0 HB2 LEU A 82 11.941 -1.608 -1.703 1.00 0.42 H new ATOM 0 HB3 LEU A 82 13.238 -2.114 -0.638 1.00 0.42 H new ATOM 0 HG LEU A 82 11.176 -0.003 0.053 1.00 0.55 H new ATOM 0 HD11 LEU A 82 10.188 -1.695 1.531 1.00 0.74 H new ATOM 0 HD12 LEU A 82 10.111 -2.178 -0.180 1.00 0.74 H new ATOM 0 HD13 LEU A 82 11.326 -2.907 0.897 1.00 0.74 H new ATOM 0 HD21 LEU A 82 12.037 -0.310 2.361 1.00 0.67 H new ATOM 0 HD22 LEU A 82 13.253 -1.454 1.745 1.00 0.67 H new ATOM 0 HD23 LEU A 82 13.309 0.255 1.253 1.00 0.67 H new ATOM 1231 N ALA A 83 14.439 -0.704 -3.600 1.00 0.54 N ATOM 1232 CA ALA A 83 15.496 -1.117 -4.527 1.00 0.69 C ATOM 1233 C ALA A 83 16.687 -0.158 -4.449 1.00 0.73 C ATOM 1234 O ALA A 83 17.815 -0.517 -4.774 1.00 0.84 O ATOM 1235 CB ALA A 83 14.962 -1.190 -5.951 1.00 0.88 C ATOM 0 H ALA A 83 13.563 -0.446 -4.054 1.00 0.54 H new ATOM 0 HA ALA A 83 15.836 -2.111 -4.236 1.00 0.69 H new ATOM 0 HB1 ALA A 83 15.762 -1.498 -6.624 1.00 0.88 H new ATOM 0 HB2 ALA A 83 14.149 -1.914 -5.998 1.00 0.88 H new ATOM 0 HB3 ALA A 83 14.592 -0.210 -6.252 1.00 0.88 H new