USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 656 hydrogens (27 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 161:sc= 0.547 USER MOD Set 1.2: A 48 THR OG1 : rot 72:sc= 2.22 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -108:sc= 0.104 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00911 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 27 SER OG : rot -102:sc= 0.135 USER MOD Single : A 40 TYR OH : rot -115:sc= 0.873 USER MOD Single : A 46 MET CE :methyl -176:sc= -2.04 (180deg=-2.15) USER MOD Single : A 54 SER OG : rot 76:sc= 0.0678 USER MOD Single : A 56 TYR OH : rot 28:sc= 0.852 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.48! X(o=-1.5!,f=-1) USER MOD Single : A 87 SXV O33 : rot -117:sc= 0.232 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.407 -8.343 -4.880 1.00 2.87 N ATOM 2 CA MET A 1 19.061 -8.332 -5.447 1.00 2.67 C ATOM 3 C MET A 1 18.131 -7.629 -4.503 1.00 2.47 C ATOM 4 O MET A 1 18.398 -7.562 -3.300 1.00 2.83 O ATOM 5 CB MET A 1 18.535 -9.744 -5.736 1.00 3.14 C ATOM 6 CG MET A 1 19.231 -10.464 -6.874 1.00 3.63 C ATOM 7 SD MET A 1 18.448 -12.046 -7.250 1.00 4.48 S ATOM 8 CE MET A 1 19.468 -12.620 -8.603 1.00 5.01 C ATOM 0 H1 MET A 1 21.013 -7.685 -5.410 1.00 2.87 H new ATOM 0 H2 MET A 1 20.366 -8.049 -3.883 1.00 2.87 H new ATOM 0 H3 MET A 1 20.802 -9.303 -4.942 1.00 2.87 H new ATOM 0 HA MET A 1 19.108 -7.804 -6.400 1.00 2.67 H new ATOM 0 HB2 MET A 1 18.633 -10.345 -4.832 1.00 3.14 H new ATOM 0 HB3 MET A 1 17.471 -9.680 -5.963 1.00 3.14 H new ATOM 0 HG2 MET A 1 19.220 -9.833 -7.763 1.00 3.63 H new ATOM 0 HG3 MET A 1 20.276 -10.629 -6.613 1.00 3.63 H new ATOM 0 HE1 MET A 1 19.107 -13.590 -8.945 1.00 5.01 H new ATOM 0 HE2 MET A 1 19.419 -11.905 -9.424 1.00 5.01 H new ATOM 0 HE3 MET A 1 20.500 -12.715 -8.266 1.00 5.01 H new ATOM 20 N ALA A 2 17.037 -7.143 -5.023 1.00 2.15 N ATOM 21 CA ALA A 2 16.086 -6.393 -4.251 1.00 2.02 C ATOM 22 C ALA A 2 15.088 -7.327 -3.600 1.00 1.59 C ATOM 23 O ALA A 2 14.686 -8.327 -4.199 1.00 1.59 O ATOM 24 CB ALA A 2 15.371 -5.394 -5.139 1.00 2.33 C ATOM 0 H ALA A 2 16.779 -7.258 -6.003 1.00 2.15 H new ATOM 0 HA ALA A 2 16.616 -5.851 -3.468 1.00 2.02 H new ATOM 0 HB1 ALA A 2 14.652 -4.829 -4.546 1.00 2.33 H new ATOM 0 HB2 ALA A 2 16.098 -4.709 -5.575 1.00 2.33 H new ATOM 0 HB3 ALA A 2 14.848 -5.924 -5.935 1.00 2.33 H new ATOM 30 N THR A 3 14.719 -7.030 -2.379 1.00 1.52 N ATOM 31 CA THR A 3 13.741 -7.812 -1.678 1.00 1.28 C ATOM 32 C THR A 3 12.389 -7.212 -1.997 1.00 1.04 C ATOM 33 O THR A 3 12.072 -6.140 -1.528 1.00 1.23 O ATOM 34 CB THR A 3 13.996 -7.665 -0.183 1.00 1.66 C ATOM 35 OG1 THR A 3 15.405 -7.853 0.090 1.00 2.10 O ATOM 36 CG2 THR A 3 13.179 -8.670 0.625 1.00 2.36 C ATOM 0 H THR A 3 15.089 -6.242 -1.848 1.00 1.52 H new ATOM 0 HA THR A 3 13.786 -8.863 -1.963 1.00 1.28 H new ATOM 0 HB THR A 3 13.689 -6.663 0.115 1.00 1.66 H new ATOM 0 HG1 THR A 3 15.568 -7.756 1.052 1.00 2.10 H new ATOM 0 HG21 THR A 3 13.386 -8.537 1.687 1.00 2.36 H new ATOM 0 HG22 THR A 3 12.117 -8.509 0.439 1.00 2.36 H new ATOM 0 HG23 THR A 3 13.450 -9.683 0.327 1.00 2.36 H new ATOM 44 N LEU A 4 11.622 -7.856 -2.821 1.00 0.77 N ATOM 45 CA LEU A 4 10.365 -7.294 -3.234 1.00 0.59 C ATOM 46 C LEU A 4 9.214 -8.076 -2.661 1.00 0.58 C ATOM 47 O LEU A 4 9.286 -9.300 -2.532 1.00 0.79 O ATOM 48 CB LEU A 4 10.269 -7.252 -4.766 1.00 0.63 C ATOM 49 CG LEU A 4 11.377 -6.483 -5.500 1.00 0.70 C ATOM 50 CD1 LEU A 4 11.165 -6.543 -6.999 1.00 0.86 C ATOM 51 CD2 LEU A 4 11.440 -5.040 -5.031 1.00 0.64 C ATOM 0 H LEU A 4 11.839 -8.768 -3.222 1.00 0.77 H new ATOM 0 HA LEU A 4 10.311 -6.274 -2.853 1.00 0.59 H new ATOM 0 HB2 LEU A 4 10.263 -8.277 -5.136 1.00 0.63 H new ATOM 0 HB3 LEU A 4 9.310 -6.810 -5.036 1.00 0.63 H new ATOM 0 HG LEU A 4 12.329 -6.959 -5.265 1.00 0.70 H new ATOM 0 HD11 LEU A 4 11.960 -5.992 -7.501 1.00 0.86 H new ATOM 0 HD12 LEU A 4 11.180 -7.582 -7.327 1.00 0.86 H new ATOM 0 HD13 LEU A 4 10.202 -6.098 -7.248 1.00 0.86 H new ATOM 0 HD21 LEU A 4 12.233 -4.518 -5.566 1.00 0.64 H new ATOM 0 HD22 LEU A 4 10.486 -4.551 -5.228 1.00 0.64 H new ATOM 0 HD23 LEU A 4 11.647 -5.014 -3.961 1.00 0.64 H new ATOM 63 N LEU A 5 8.178 -7.371 -2.280 1.00 0.53 N ATOM 64 CA LEU A 5 6.974 -7.992 -1.803 1.00 0.58 C ATOM 65 C LEU A 5 5.984 -8.092 -2.947 1.00 0.47 C ATOM 66 O LEU A 5 6.043 -7.279 -3.888 1.00 0.54 O ATOM 67 CB LEU A 5 6.400 -7.247 -0.555 1.00 0.85 C ATOM 68 CG LEU A 5 6.082 -5.727 -0.649 1.00 0.59 C ATOM 69 CD1 LEU A 5 4.864 -5.438 -1.498 1.00 0.85 C ATOM 70 CD2 LEU A 5 5.881 -5.148 0.728 1.00 1.27 C ATOM 0 H LEU A 5 8.148 -6.352 -2.293 1.00 0.53 H new ATOM 0 HA LEU A 5 7.192 -9.003 -1.458 1.00 0.58 H new ATOM 0 HB2 LEU A 5 5.481 -7.756 -0.265 1.00 0.85 H new ATOM 0 HB3 LEU A 5 7.110 -7.382 0.261 1.00 0.85 H new ATOM 0 HG LEU A 5 6.940 -5.258 -1.131 1.00 0.59 H new ATOM 0 HD11 LEU A 5 4.689 -4.363 -1.529 1.00 0.85 H new ATOM 0 HD12 LEU A 5 5.030 -5.808 -2.510 1.00 0.85 H new ATOM 0 HD13 LEU A 5 3.994 -5.935 -1.068 1.00 0.85 H new ATOM 0 HD21 LEU A 5 5.659 -4.084 0.646 1.00 1.27 H new ATOM 0 HD22 LEU A 5 5.050 -5.655 1.218 1.00 1.27 H new ATOM 0 HD23 LEU A 5 6.788 -5.286 1.316 1.00 1.27 H new ATOM 82 N THR A 6 5.118 -9.062 -2.892 1.00 0.43 N ATOM 83 CA THR A 6 4.175 -9.291 -3.949 1.00 0.48 C ATOM 84 C THR A 6 2.835 -8.592 -3.692 1.00 0.49 C ATOM 85 O THR A 6 2.658 -7.923 -2.659 1.00 0.52 O ATOM 86 CB THR A 6 3.981 -10.800 -4.157 1.00 0.58 C ATOM 87 OG1 THR A 6 3.671 -11.428 -2.884 1.00 0.64 O ATOM 88 CG2 THR A 6 5.247 -11.413 -4.726 1.00 0.76 C ATOM 0 H THR A 6 5.045 -9.717 -2.113 1.00 0.43 H new ATOM 0 HA THR A 6 4.582 -8.855 -4.861 1.00 0.48 H new ATOM 0 HB THR A 6 3.160 -10.961 -4.856 1.00 0.58 H new ATOM 0 HG1 THR A 6 3.545 -12.391 -3.016 1.00 0.64 H new ATOM 0 HG21 THR A 6 5.100 -12.483 -4.870 1.00 0.76 H new ATOM 0 HG22 THR A 6 5.479 -10.946 -5.683 1.00 0.76 H new ATOM 0 HG23 THR A 6 6.073 -11.250 -4.034 1.00 0.76 H new ATOM 96 N THR A 7 1.882 -8.782 -4.585 1.00 0.56 N ATOM 97 CA THR A 7 0.581 -8.174 -4.444 1.00 0.62 C ATOM 98 C THR A 7 -0.196 -8.842 -3.302 1.00 0.64 C ATOM 99 O THR A 7 -0.881 -8.173 -2.540 1.00 0.73 O ATOM 100 CB THR A 7 -0.204 -8.263 -5.759 1.00 0.74 C ATOM 101 OG1 THR A 7 0.649 -7.839 -6.834 1.00 1.34 O ATOM 102 CG2 THR A 7 -1.425 -7.346 -5.717 1.00 1.19 C ATOM 0 H THR A 7 1.990 -9.358 -5.420 1.00 0.56 H new ATOM 0 HA THR A 7 0.715 -7.120 -4.201 1.00 0.62 H new ATOM 0 HB THR A 7 -0.534 -9.291 -5.906 1.00 0.74 H new ATOM 0 HG1 THR A 7 0.159 -7.893 -7.681 1.00 1.34 H new ATOM 0 HG21 THR A 7 -1.970 -7.422 -6.658 1.00 1.19 H new ATOM 0 HG22 THR A 7 -2.076 -7.645 -4.896 1.00 1.19 H new ATOM 0 HG23 THR A 7 -1.101 -6.316 -5.567 1.00 1.19 H new ATOM 110 N ASP A 8 -0.052 -10.162 -3.160 1.00 0.65 N ATOM 111 CA ASP A 8 -0.684 -10.882 -2.038 1.00 0.71 C ATOM 112 C ASP A 8 -0.055 -10.504 -0.710 1.00 0.65 C ATOM 113 O ASP A 8 -0.663 -10.667 0.354 1.00 0.69 O ATOM 114 CB ASP A 8 -0.669 -12.405 -2.214 1.00 0.86 C ATOM 115 CG ASP A 8 -1.935 -12.955 -2.836 1.00 1.61 C ATOM 116 OD1 ASP A 8 -2.925 -13.171 -2.110 1.00 1.74 O ATOM 117 OD2 ASP A 8 -1.967 -13.145 -4.079 1.00 2.44 O ATOM 0 H ASP A 8 0.487 -10.752 -3.794 1.00 0.65 H new ATOM 0 HA ASP A 8 -1.728 -10.568 -2.038 1.00 0.71 H new ATOM 0 HB2 ASP A 8 0.182 -12.682 -2.836 1.00 0.86 H new ATOM 0 HB3 ASP A 8 -0.519 -12.873 -1.241 1.00 0.86 H new ATOM 122 N ASP A 9 1.155 -9.985 -0.760 1.00 0.60 N ATOM 123 CA ASP A 9 1.818 -9.538 0.450 1.00 0.61 C ATOM 124 C ASP A 9 1.247 -8.189 0.826 1.00 0.56 C ATOM 125 O ASP A 9 0.901 -7.942 1.985 1.00 0.62 O ATOM 126 CB ASP A 9 3.334 -9.446 0.264 1.00 0.64 C ATOM 127 CG ASP A 9 4.061 -9.208 1.567 1.00 1.13 C ATOM 128 OD1 ASP A 9 4.380 -10.196 2.275 1.00 1.32 O ATOM 129 OD2 ASP A 9 4.343 -8.052 1.908 1.00 2.06 O ATOM 0 H ASP A 9 1.696 -9.863 -1.616 1.00 0.60 H new ATOM 0 HA ASP A 9 1.642 -10.262 1.245 1.00 0.61 H new ATOM 0 HB2 ASP A 9 3.698 -10.368 -0.189 1.00 0.64 H new ATOM 0 HB3 ASP A 9 3.564 -8.637 -0.430 1.00 0.64 H new ATOM 134 N LEU A 10 1.084 -7.340 -0.191 1.00 0.52 N ATOM 135 CA LEU A 10 0.465 -6.031 -0.031 1.00 0.51 C ATOM 136 C LEU A 10 -0.979 -6.204 0.451 1.00 0.52 C ATOM 137 O LEU A 10 -1.452 -5.448 1.276 1.00 0.58 O ATOM 138 CB LEU A 10 0.495 -5.259 -1.361 1.00 0.50 C ATOM 139 CG LEU A 10 -0.089 -3.843 -1.334 1.00 0.51 C ATOM 140 CD1 LEU A 10 0.698 -2.950 -0.386 1.00 0.60 C ATOM 141 CD2 LEU A 10 -0.120 -3.250 -2.733 1.00 0.56 C ATOM 0 H LEU A 10 1.378 -7.544 -1.146 1.00 0.52 H new ATOM 0 HA LEU A 10 1.024 -5.459 0.710 1.00 0.51 H new ATOM 0 HB2 LEU A 10 1.530 -5.197 -1.698 1.00 0.50 H new ATOM 0 HB3 LEU A 10 -0.048 -5.840 -2.107 1.00 0.50 H new ATOM 0 HG LEU A 10 -1.113 -3.904 -0.966 1.00 0.51 H new ATOM 0 HD11 LEU A 10 0.264 -1.950 -0.384 1.00 0.60 H new ATOM 0 HD12 LEU A 10 0.659 -3.365 0.621 1.00 0.60 H new ATOM 0 HD13 LEU A 10 1.736 -2.895 -0.715 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -0.538 -2.244 -2.693 1.00 0.56 H new ATOM 0 HD22 LEU A 10 0.893 -3.206 -3.132 1.00 0.56 H new ATOM 0 HD23 LEU A 10 -0.738 -3.874 -3.379 1.00 0.56 H new ATOM 153 N ARG A 11 -1.641 -7.224 -0.080 1.00 0.51 N ATOM 154 CA ARG A 11 -2.997 -7.628 0.309 1.00 0.54 C ATOM 155 C ARG A 11 -3.100 -7.784 1.821 1.00 0.53 C ATOM 156 O ARG A 11 -3.884 -7.105 2.474 1.00 0.57 O ATOM 157 CB ARG A 11 -3.311 -8.972 -0.357 1.00 0.60 C ATOM 158 CG ARG A 11 -4.603 -9.640 0.068 1.00 0.82 C ATOM 159 CD ARG A 11 -4.680 -11.018 -0.546 1.00 0.98 C ATOM 160 NE ARG A 11 -5.867 -11.764 -0.139 1.00 1.50 N ATOM 161 CZ ARG A 11 -6.293 -12.889 -0.724 1.00 2.13 C ATOM 162 NH1 ARG A 11 -5.567 -13.463 -1.685 1.00 2.32 N ATOM 163 NH2 ARG A 11 -7.408 -13.464 -0.307 1.00 3.08 N ATOM 0 H ARG A 11 -1.244 -7.812 -0.813 1.00 0.51 H new ATOM 0 HA ARG A 11 -3.705 -6.863 -0.009 1.00 0.54 H new ATOM 0 HB2 ARG A 11 -3.341 -8.822 -1.436 1.00 0.60 H new ATOM 0 HB3 ARG A 11 -2.488 -9.657 -0.154 1.00 0.60 H new ATOM 0 HG2 ARG A 11 -4.648 -9.711 1.155 1.00 0.82 H new ATOM 0 HG3 ARG A 11 -5.457 -9.040 -0.248 1.00 0.82 H new ATOM 0 HD2 ARG A 11 -4.672 -10.926 -1.632 1.00 0.98 H new ATOM 0 HD3 ARG A 11 -3.791 -11.583 -0.267 1.00 0.98 H new ATOM 0 HE ARG A 11 -6.409 -11.402 0.646 1.00 1.50 H new ATOM 0 HH11 ARG A 11 -4.684 -13.044 -1.976 1.00 2.32 H new ATOM 0 HH12 ARG A 11 -5.895 -14.321 -2.129 1.00 2.32 H new ATOM 0 HH21 ARG A 11 -7.940 -13.050 0.458 1.00 3.08 H new ATOM 0 HH22 ARG A 11 -7.736 -14.322 -0.751 1.00 3.08 H new ATOM 177 N ARG A 12 -2.265 -8.647 2.363 1.00 0.54 N ATOM 178 CA ARG A 12 -2.270 -8.948 3.781 1.00 0.59 C ATOM 179 C ARG A 12 -1.864 -7.744 4.608 1.00 0.61 C ATOM 180 O ARG A 12 -2.431 -7.495 5.672 1.00 0.66 O ATOM 181 CB ARG A 12 -1.373 -10.131 4.060 1.00 0.72 C ATOM 182 CG ARG A 12 -1.915 -11.433 3.507 1.00 0.94 C ATOM 183 CD ARG A 12 -0.900 -12.541 3.616 1.00 1.09 C ATOM 184 NE ARG A 12 0.220 -12.352 2.690 1.00 1.71 N ATOM 185 CZ ARG A 12 1.507 -12.299 3.050 1.00 2.06 C ATOM 186 NH1 ARG A 12 1.835 -12.119 4.324 1.00 1.90 N ATOM 187 NH2 ARG A 12 2.461 -12.353 2.131 1.00 3.10 N ATOM 0 H ARG A 12 -1.562 -9.161 1.832 1.00 0.54 H new ATOM 0 HA ARG A 12 -3.288 -9.205 4.073 1.00 0.59 H new ATOM 0 HB2 ARG A 12 -0.389 -9.942 3.630 1.00 0.72 H new ATOM 0 HB3 ARG A 12 -1.237 -10.230 5.137 1.00 0.72 H new ATOM 0 HG2 ARG A 12 -2.819 -11.711 4.048 1.00 0.94 H new ATOM 0 HG3 ARG A 12 -2.197 -11.297 2.463 1.00 0.94 H new ATOM 0 HD2 ARG A 12 -0.522 -12.587 4.637 1.00 1.09 H new ATOM 0 HD3 ARG A 12 -1.383 -13.497 3.411 1.00 1.09 H new ATOM 0 HE ARG A 12 0.002 -12.254 1.698 1.00 1.71 H new ATOM 0 HH11 ARG A 12 1.105 -12.021 5.030 1.00 1.90 H new ATOM 0 HH12 ARG A 12 2.817 -12.079 4.597 1.00 1.90 H new ATOM 0 HH21 ARG A 12 2.215 -12.435 1.145 1.00 3.10 H new ATOM 0 HH22 ARG A 12 3.441 -12.312 2.410 1.00 3.10 H new ATOM 201 N ALA A 13 -0.918 -6.984 4.093 1.00 0.66 N ATOM 202 CA ALA A 13 -0.440 -5.774 4.743 1.00 0.77 C ATOM 203 C ALA A 13 -1.537 -4.721 4.806 1.00 0.66 C ATOM 204 O ALA A 13 -1.661 -3.996 5.787 1.00 0.70 O ATOM 205 CB ALA A 13 0.746 -5.222 3.996 1.00 0.95 C ATOM 0 H ALA A 13 -0.455 -7.187 3.207 1.00 0.66 H new ATOM 0 HA ALA A 13 -0.144 -6.029 5.760 1.00 0.77 H new ATOM 0 HB1 ALA A 13 1.097 -4.316 4.490 1.00 0.95 H new ATOM 0 HB2 ALA A 13 1.546 -5.963 3.985 1.00 0.95 H new ATOM 0 HB3 ALA A 13 0.454 -4.987 2.972 1.00 0.95 H new ATOM 211 N LEU A 14 -2.335 -4.658 3.764 1.00 0.58 N ATOM 212 CA LEU A 14 -3.424 -3.713 3.676 1.00 0.57 C ATOM 213 C LEU A 14 -4.502 -4.062 4.702 1.00 0.56 C ATOM 214 O LEU A 14 -5.192 -3.200 5.198 1.00 0.77 O ATOM 215 CB LEU A 14 -4.002 -3.702 2.249 1.00 0.59 C ATOM 216 CG LEU A 14 -5.023 -2.607 1.924 1.00 0.69 C ATOM 217 CD1 LEU A 14 -4.388 -1.229 2.025 1.00 1.09 C ATOM 218 CD2 LEU A 14 -5.594 -2.814 0.538 1.00 1.40 C ATOM 0 H LEU A 14 -2.246 -5.265 2.949 1.00 0.58 H new ATOM 0 HA LEU A 14 -3.051 -2.713 3.898 1.00 0.57 H new ATOM 0 HB2 LEU A 14 -3.173 -3.612 1.548 1.00 0.59 H new ATOM 0 HB3 LEU A 14 -4.471 -4.669 2.065 1.00 0.59 H new ATOM 0 HG LEU A 14 -5.831 -2.670 2.653 1.00 0.69 H new ATOM 0 HD11 LEU A 14 -5.132 -0.468 1.790 1.00 1.09 H new ATOM 0 HD12 LEU A 14 -4.016 -1.073 3.038 1.00 1.09 H new ATOM 0 HD13 LEU A 14 -3.560 -1.157 1.320 1.00 1.09 H new ATOM 0 HD21 LEU A 14 -6.318 -2.028 0.322 1.00 1.40 H new ATOM 0 HD22 LEU A 14 -4.789 -2.778 -0.196 1.00 1.40 H new ATOM 0 HD23 LEU A 14 -6.087 -3.785 0.489 1.00 1.40 H new ATOM 230 N VAL A 15 -4.608 -5.330 5.047 1.00 0.46 N ATOM 231 CA VAL A 15 -5.586 -5.768 6.038 1.00 0.49 C ATOM 232 C VAL A 15 -5.110 -5.413 7.476 1.00 0.52 C ATOM 233 O VAL A 15 -5.910 -5.345 8.421 1.00 0.66 O ATOM 234 CB VAL A 15 -5.917 -7.299 5.908 1.00 0.55 C ATOM 235 CG1 VAL A 15 -7.004 -7.737 6.883 1.00 0.67 C ATOM 236 CG2 VAL A 15 -6.335 -7.638 4.485 1.00 0.59 C ATOM 0 H VAL A 15 -4.033 -6.078 4.660 1.00 0.46 H new ATOM 0 HA VAL A 15 -6.512 -5.228 5.841 1.00 0.49 H new ATOM 0 HB VAL A 15 -5.006 -7.843 6.158 1.00 0.55 H new ATOM 0 HG11 VAL A 15 -7.199 -8.802 6.756 1.00 0.67 H new ATOM 0 HG12 VAL A 15 -6.674 -7.547 7.905 1.00 0.67 H new ATOM 0 HG13 VAL A 15 -7.917 -7.175 6.686 1.00 0.67 H new ATOM 0 HG21 VAL A 15 -6.560 -8.702 4.416 1.00 0.59 H new ATOM 0 HG22 VAL A 15 -7.221 -7.062 4.219 1.00 0.59 H new ATOM 0 HG23 VAL A 15 -5.524 -7.393 3.799 1.00 0.59 H new ATOM 246 N GLU A 16 -3.821 -5.111 7.613 1.00 0.48 N ATOM 247 CA GLU A 16 -3.236 -4.758 8.907 1.00 0.54 C ATOM 248 C GLU A 16 -3.733 -3.420 9.419 1.00 0.51 C ATOM 249 O GLU A 16 -3.957 -3.250 10.623 1.00 0.63 O ATOM 250 CB GLU A 16 -1.706 -4.767 8.857 1.00 0.64 C ATOM 251 CG GLU A 16 -1.123 -6.150 8.670 1.00 0.83 C ATOM 252 CD GLU A 16 -1.508 -7.082 9.794 1.00 1.12 C ATOM 253 OE1 GLU A 16 -2.553 -7.750 9.696 1.00 1.94 O ATOM 254 OE2 GLU A 16 -0.775 -7.143 10.822 1.00 1.14 O ATOM 0 H GLU A 16 -3.157 -5.103 6.839 1.00 0.48 H new ATOM 0 HA GLU A 16 -3.565 -5.526 9.607 1.00 0.54 H new ATOM 0 HB2 GLU A 16 -1.372 -4.126 8.041 1.00 0.64 H new ATOM 0 HB3 GLU A 16 -1.316 -4.337 9.780 1.00 0.64 H new ATOM 0 HG2 GLU A 16 -1.467 -6.564 7.722 1.00 0.83 H new ATOM 0 HG3 GLU A 16 -0.037 -6.081 8.612 1.00 0.83 H new ATOM 261 N SER A 17 -3.914 -2.487 8.519 1.00 0.49 N ATOM 262 CA SER A 17 -4.355 -1.159 8.866 1.00 0.58 C ATOM 263 C SER A 17 -5.809 -1.171 9.362 1.00 0.66 C ATOM 264 O SER A 17 -6.092 -0.777 10.502 1.00 0.98 O ATOM 265 CB SER A 17 -4.217 -0.275 7.643 1.00 0.62 C ATOM 266 OG SER A 17 -2.970 -0.519 7.021 1.00 1.38 O ATOM 0 H SER A 17 -3.759 -2.627 7.521 1.00 0.49 H new ATOM 0 HA SER A 17 -3.740 -0.772 9.678 1.00 0.58 H new ATOM 0 HB2 SER A 17 -5.029 -0.474 6.944 1.00 0.62 H new ATOM 0 HB3 SER A 17 -4.293 0.774 7.929 1.00 0.62 H new ATOM 0 HG SER A 17 -2.999 -0.201 6.094 1.00 1.38 H new ATOM 272 N ALA A 18 -6.711 -1.653 8.522 1.00 0.65 N ATOM 273 CA ALA A 18 -8.131 -1.677 8.837 1.00 0.88 C ATOM 274 C ALA A 18 -8.470 -2.660 9.951 1.00 0.85 C ATOM 275 O ALA A 18 -9.170 -2.317 10.902 1.00 1.04 O ATOM 276 CB ALA A 18 -8.940 -2.005 7.595 1.00 1.13 C ATOM 0 H ALA A 18 -6.481 -2.037 7.606 1.00 0.65 H new ATOM 0 HA ALA A 18 -8.391 -0.681 9.195 1.00 0.88 H new ATOM 0 HB1 ALA A 18 -10.001 -2.020 7.845 1.00 1.13 H new ATOM 0 HB2 ALA A 18 -8.758 -1.249 6.832 1.00 1.13 H new ATOM 0 HB3 ALA A 18 -8.643 -2.983 7.215 1.00 1.13 H new ATOM 282 N GLY A 19 -7.964 -3.860 9.844 1.00 0.79 N ATOM 283 CA GLY A 19 -8.308 -4.888 10.785 1.00 0.97 C ATOM 284 C GLY A 19 -9.139 -5.942 10.108 1.00 1.18 C ATOM 285 O GLY A 19 -8.655 -7.033 9.814 1.00 1.57 O ATOM 0 H GLY A 19 -7.312 -4.148 9.114 1.00 0.79 H new ATOM 0 HA2 GLY A 19 -7.403 -5.335 11.196 1.00 0.97 H new ATOM 0 HA3 GLY A 19 -8.860 -4.458 11.621 1.00 0.97 H new ATOM 289 N GLU A 20 -10.381 -5.624 9.830 1.00 1.43 N ATOM 290 CA GLU A 20 -11.235 -6.537 9.111 1.00 1.75 C ATOM 291 C GLU A 20 -11.670 -5.945 7.798 1.00 1.79 C ATOM 292 O GLU A 20 -12.132 -4.801 7.731 1.00 2.30 O ATOM 293 CB GLU A 20 -12.474 -6.948 9.892 1.00 2.40 C ATOM 294 CG GLU A 20 -12.218 -7.675 11.187 1.00 3.14 C ATOM 295 CD GLU A 20 -13.470 -8.340 11.677 1.00 3.62 C ATOM 296 OE1 GLU A 20 -14.337 -7.674 12.287 1.00 3.97 O ATOM 297 OE2 GLU A 20 -13.641 -9.539 11.405 1.00 4.15 O ATOM 0 H GLU A 20 -10.821 -4.742 10.090 1.00 1.43 H new ATOM 0 HA GLU A 20 -10.631 -7.430 8.947 1.00 1.75 H new ATOM 0 HB2 GLU A 20 -13.058 -6.054 10.108 1.00 2.40 H new ATOM 0 HB3 GLU A 20 -13.088 -7.584 9.255 1.00 2.40 H new ATOM 0 HG2 GLU A 20 -11.436 -8.421 11.043 1.00 3.14 H new ATOM 0 HG3 GLU A 20 -11.855 -6.974 11.938 1.00 3.14 H new ATOM 304 N THR A 21 -11.531 -6.706 6.773 1.00 1.91 N ATOM 305 CA THR A 21 -11.960 -6.325 5.470 1.00 2.43 C ATOM 306 C THR A 21 -13.181 -7.163 5.078 1.00 2.45 C ATOM 307 O THR A 21 -13.133 -7.991 4.165 1.00 3.06 O ATOM 308 CB THR A 21 -10.804 -6.506 4.474 1.00 3.22 C ATOM 309 OG1 THR A 21 -10.162 -7.779 4.710 1.00 3.77 O ATOM 310 CG2 THR A 21 -9.783 -5.384 4.614 1.00 3.83 C ATOM 0 H THR A 21 -11.107 -7.633 6.814 1.00 1.91 H new ATOM 0 HA THR A 21 -12.249 -5.274 5.457 1.00 2.43 H new ATOM 0 HB THR A 21 -11.209 -6.476 3.463 1.00 3.22 H new ATOM 0 HG1 THR A 21 -9.425 -7.897 4.074 1.00 3.77 H new ATOM 0 HG21 THR A 21 -8.975 -5.536 3.898 1.00 3.83 H new ATOM 0 HG22 THR A 21 -10.266 -4.426 4.419 1.00 3.83 H new ATOM 0 HG23 THR A 21 -9.377 -5.386 5.625 1.00 3.83 H new ATOM 318 N ASP A 22 -14.267 -6.969 5.812 1.00 2.17 N ATOM 319 CA ASP A 22 -15.483 -7.762 5.621 1.00 2.48 C ATOM 320 C ASP A 22 -16.229 -7.317 4.378 1.00 2.10 C ATOM 321 O ASP A 22 -16.884 -8.122 3.714 1.00 2.55 O ATOM 322 CB ASP A 22 -16.415 -7.700 6.853 1.00 3.04 C ATOM 323 CG ASP A 22 -16.997 -6.325 7.120 1.00 3.67 C ATOM 324 OD1 ASP A 22 -18.069 -6.001 6.570 1.00 3.96 O ATOM 325 OD2 ASP A 22 -16.382 -5.535 7.870 1.00 4.25 O ATOM 0 H ASP A 22 -14.336 -6.268 6.549 1.00 2.17 H new ATOM 0 HA ASP A 22 -15.170 -8.798 5.494 1.00 2.48 H new ATOM 0 HB2 ASP A 22 -17.232 -8.408 6.713 1.00 3.04 H new ATOM 0 HB3 ASP A 22 -15.859 -8.025 7.733 1.00 3.04 H new ATOM 330 N GLY A 23 -16.104 -6.059 4.050 1.00 1.96 N ATOM 331 CA GLY A 23 -16.751 -5.519 2.891 1.00 2.00 C ATOM 332 C GLY A 23 -15.722 -5.079 1.919 1.00 1.94 C ATOM 333 O GLY A 23 -15.748 -3.962 1.407 1.00 2.20 O ATOM 0 H GLY A 23 -15.552 -5.384 4.579 1.00 1.96 H new ATOM 0 HA2 GLY A 23 -17.399 -6.270 2.438 1.00 2.00 H new ATOM 0 HA3 GLY A 23 -17.386 -4.679 3.172 1.00 2.00 H new ATOM 337 N THR A 24 -14.773 -5.932 1.707 1.00 1.83 N ATOM 338 CA THR A 24 -13.674 -5.645 0.859 1.00 1.80 C ATOM 339 C THR A 24 -13.160 -6.932 0.239 1.00 1.84 C ATOM 340 O THR A 24 -12.345 -7.642 0.844 1.00 1.90 O ATOM 341 CB THR A 24 -12.543 -4.970 1.681 1.00 1.83 C ATOM 342 OG1 THR A 24 -13.061 -3.795 2.329 1.00 1.96 O ATOM 343 CG2 THR A 24 -11.369 -4.573 0.795 1.00 1.85 C ATOM 0 H THR A 24 -14.744 -6.861 2.127 1.00 1.83 H new ATOM 0 HA THR A 24 -13.995 -4.968 0.067 1.00 1.80 H new ATOM 0 HB THR A 24 -12.187 -5.689 2.419 1.00 1.83 H new ATOM 0 HG1 THR A 24 -12.349 -3.368 2.850 1.00 1.96 H new ATOM 0 HG21 THR A 24 -10.596 -4.104 1.404 1.00 1.85 H new ATOM 0 HG22 THR A 24 -10.961 -5.461 0.312 1.00 1.85 H new ATOM 0 HG23 THR A 24 -11.709 -3.870 0.034 1.00 1.85 H new ATOM 351 N ASP A 25 -13.740 -7.308 -0.879 1.00 1.96 N ATOM 352 CA ASP A 25 -13.213 -8.425 -1.647 1.00 2.09 C ATOM 353 C ASP A 25 -11.966 -7.928 -2.342 1.00 1.62 C ATOM 354 O ASP A 25 -12.021 -7.335 -3.425 1.00 1.86 O ATOM 355 CB ASP A 25 -14.229 -8.964 -2.664 1.00 2.69 C ATOM 356 CG ASP A 25 -13.713 -10.167 -3.439 1.00 3.10 C ATOM 357 OD1 ASP A 25 -13.736 -11.293 -2.893 1.00 3.40 O ATOM 358 OD2 ASP A 25 -13.330 -10.022 -4.618 1.00 3.55 O ATOM 0 H ASP A 25 -14.568 -6.865 -1.277 1.00 1.96 H new ATOM 0 HA ASP A 25 -12.990 -9.259 -0.982 1.00 2.09 H new ATOM 0 HB2 ASP A 25 -15.145 -9.241 -2.142 1.00 2.69 H new ATOM 0 HB3 ASP A 25 -14.488 -8.171 -3.365 1.00 2.69 H new ATOM 363 N LEU A 26 -10.868 -8.074 -1.659 1.00 1.28 N ATOM 364 CA LEU A 26 -9.613 -7.537 -2.091 1.00 0.95 C ATOM 365 C LEU A 26 -8.964 -8.503 -3.054 1.00 1.02 C ATOM 366 O LEU A 26 -8.545 -8.111 -4.150 1.00 1.36 O ATOM 367 CB LEU A 26 -8.732 -7.281 -0.855 1.00 1.16 C ATOM 368 CG LEU A 26 -7.455 -6.480 -1.063 1.00 0.73 C ATOM 369 CD1 LEU A 26 -7.793 -5.101 -1.601 1.00 0.86 C ATOM 370 CD2 LEU A 26 -6.698 -6.350 0.251 1.00 1.05 C ATOM 0 H LEU A 26 -10.820 -8.577 -0.773 1.00 1.28 H new ATOM 0 HA LEU A 26 -9.753 -6.590 -2.612 1.00 0.95 H new ATOM 0 HB2 LEU A 26 -9.337 -6.764 -0.110 1.00 1.16 H new ATOM 0 HB3 LEU A 26 -8.459 -8.247 -0.429 1.00 1.16 H new ATOM 0 HG LEU A 26 -6.825 -7.002 -1.784 1.00 0.73 H new ATOM 0 HD11 LEU A 26 -6.875 -4.533 -1.748 1.00 0.86 H new ATOM 0 HD12 LEU A 26 -8.315 -5.200 -2.553 1.00 0.86 H new ATOM 0 HD13 LEU A 26 -8.433 -4.579 -0.889 1.00 0.86 H new ATOM 0 HD21 LEU A 26 -5.786 -5.775 0.090 1.00 1.05 H new ATOM 0 HD22 LEU A 26 -7.324 -5.840 0.983 1.00 1.05 H new ATOM 0 HD23 LEU A 26 -6.441 -7.342 0.622 1.00 1.05 H new ATOM 382 N SER A 27 -8.917 -9.770 -2.643 1.00 1.03 N ATOM 383 CA SER A 27 -8.386 -10.866 -3.441 1.00 1.23 C ATOM 384 C SER A 27 -6.858 -10.709 -3.646 1.00 1.39 C ATOM 385 O SER A 27 -6.224 -9.813 -3.069 1.00 2.16 O ATOM 386 CB SER A 27 -9.163 -10.972 -4.786 1.00 1.77 C ATOM 387 OG SER A 27 -8.819 -12.136 -5.532 1.00 2.39 O ATOM 0 H SER A 27 -9.255 -10.065 -1.727 1.00 1.03 H new ATOM 0 HA SER A 27 -8.532 -11.804 -2.906 1.00 1.23 H new ATOM 0 HB2 SER A 27 -10.234 -10.980 -4.582 1.00 1.77 H new ATOM 0 HB3 SER A 27 -8.960 -10.087 -5.388 1.00 1.77 H new ATOM 0 HG SER A 27 -8.208 -11.891 -6.258 1.00 2.39 H new ATOM 393 N GLY A 28 -6.275 -11.592 -4.434 1.00 1.32 N ATOM 394 CA GLY A 28 -4.849 -11.583 -4.656 1.00 1.62 C ATOM 395 C GLY A 28 -4.423 -10.558 -5.678 1.00 1.42 C ATOM 396 O GLY A 28 -3.253 -10.181 -5.736 1.00 1.77 O ATOM 0 H GLY A 28 -6.775 -12.328 -4.933 1.00 1.32 H new ATOM 0 HA2 GLY A 28 -4.340 -11.382 -3.713 1.00 1.62 H new ATOM 0 HA3 GLY A 28 -4.531 -12.572 -4.986 1.00 1.62 H new ATOM 400 N ASP A 29 -5.352 -10.105 -6.483 1.00 1.39 N ATOM 401 CA ASP A 29 -5.041 -9.108 -7.489 1.00 1.21 C ATOM 402 C ASP A 29 -6.036 -7.984 -7.415 1.00 0.96 C ATOM 403 O ASP A 29 -7.233 -8.171 -7.643 1.00 1.17 O ATOM 404 CB ASP A 29 -4.987 -9.699 -8.902 1.00 1.44 C ATOM 405 CG ASP A 29 -4.642 -8.649 -9.944 1.00 1.84 C ATOM 406 OD1 ASP A 29 -3.471 -8.238 -10.039 1.00 2.28 O ATOM 407 OD2 ASP A 29 -5.542 -8.196 -10.689 1.00 2.30 O ATOM 0 H ASP A 29 -6.326 -10.406 -6.465 1.00 1.39 H new ATOM 0 HA ASP A 29 -4.044 -8.722 -7.277 1.00 1.21 H new ATOM 0 HB2 ASP A 29 -4.246 -10.498 -8.933 1.00 1.44 H new ATOM 0 HB3 ASP A 29 -5.950 -10.148 -9.144 1.00 1.44 H new ATOM 412 N PHE A 30 -5.544 -6.838 -7.050 1.00 0.73 N ATOM 413 CA PHE A 30 -6.346 -5.644 -6.879 1.00 0.56 C ATOM 414 C PHE A 30 -5.515 -4.446 -7.286 1.00 0.46 C ATOM 415 O PHE A 30 -5.808 -3.321 -6.938 1.00 0.43 O ATOM 416 CB PHE A 30 -6.767 -5.519 -5.392 1.00 0.53 C ATOM 417 CG PHE A 30 -5.610 -5.446 -4.404 1.00 0.55 C ATOM 418 CD1 PHE A 30 -4.979 -6.604 -3.962 1.00 0.74 C ATOM 419 CD2 PHE A 30 -5.152 -4.226 -3.932 1.00 0.55 C ATOM 420 CE1 PHE A 30 -3.926 -6.541 -3.073 1.00 0.89 C ATOM 421 CE2 PHE A 30 -4.103 -4.162 -3.046 1.00 0.68 C ATOM 422 CZ PHE A 30 -3.510 -5.309 -2.590 1.00 0.83 C ATOM 0 H PHE A 30 -4.553 -6.695 -6.856 1.00 0.73 H new ATOM 0 HA PHE A 30 -7.243 -5.695 -7.496 1.00 0.56 H new ATOM 0 HB2 PHE A 30 -7.381 -4.626 -5.277 1.00 0.53 H new ATOM 0 HB3 PHE A 30 -7.394 -6.373 -5.134 1.00 0.53 H new ATOM 0 HD1 PHE A 30 -5.318 -7.565 -4.319 1.00 0.74 H new ATOM 0 HD2 PHE A 30 -5.625 -3.314 -4.265 1.00 0.55 H new ATOM 0 HE1 PHE A 30 -3.429 -7.445 -2.755 1.00 0.89 H new ATOM 0 HE2 PHE A 30 -3.744 -3.201 -2.707 1.00 0.68 H new ATOM 0 HZ PHE A 30 -2.720 -5.255 -1.856 1.00 0.83 H new ATOM 432 N LEU A 31 -4.524 -4.706 -8.100 1.00 0.49 N ATOM 433 CA LEU A 31 -3.524 -3.770 -8.434 1.00 0.49 C ATOM 434 C LEU A 31 -4.071 -2.645 -9.323 1.00 0.49 C ATOM 435 O LEU A 31 -3.544 -1.533 -9.325 1.00 0.58 O ATOM 436 CB LEU A 31 -2.426 -4.530 -9.157 1.00 0.59 C ATOM 437 CG LEU A 31 -1.126 -3.830 -9.228 1.00 0.86 C ATOM 438 CD1 LEU A 31 -0.544 -3.687 -7.833 1.00 1.08 C ATOM 439 CD2 LEU A 31 -0.161 -4.519 -10.176 1.00 1.85 C ATOM 0 H LEU A 31 -4.402 -5.611 -8.555 1.00 0.49 H new ATOM 0 HA LEU A 31 -3.145 -3.293 -7.530 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -2.279 -5.488 -8.659 1.00 0.59 H new ATOM 0 HB3 LEU A 31 -2.761 -4.746 -10.171 1.00 0.59 H new ATOM 0 HG LEU A 31 -1.293 -2.834 -9.637 1.00 0.86 H new ATOM 0 HD11 LEU A 31 0.414 -3.171 -7.890 1.00 1.08 H new ATOM 0 HD12 LEU A 31 -1.229 -3.113 -7.210 1.00 1.08 H new ATOM 0 HD13 LEU A 31 -0.398 -4.675 -7.396 1.00 1.08 H new ATOM 0 HD21 LEU A 31 0.781 -3.971 -10.198 1.00 1.85 H new ATOM 0 HD22 LEU A 31 0.019 -5.538 -9.834 1.00 1.85 H new ATOM 0 HD23 LEU A 31 -0.590 -4.543 -11.178 1.00 1.85 H new ATOM 451 N ASP A 32 -5.133 -2.935 -10.044 1.00 0.49 N ATOM 452 CA ASP A 32 -5.691 -1.987 -11.009 1.00 0.67 C ATOM 453 C ASP A 32 -6.881 -1.188 -10.448 1.00 0.57 C ATOM 454 O ASP A 32 -7.191 -0.091 -10.941 1.00 0.74 O ATOM 455 CB ASP A 32 -6.123 -2.755 -12.270 1.00 0.94 C ATOM 456 CG ASP A 32 -6.664 -1.868 -13.373 1.00 1.76 C ATOM 457 OD1 ASP A 32 -5.873 -1.293 -14.132 1.00 2.55 O ATOM 458 OD2 ASP A 32 -7.907 -1.709 -13.480 1.00 2.27 O ATOM 0 H ASP A 32 -5.635 -3.821 -9.986 1.00 0.49 H new ATOM 0 HA ASP A 32 -4.913 -1.261 -11.245 1.00 0.67 H new ATOM 0 HB2 ASP A 32 -5.270 -3.315 -12.653 1.00 0.94 H new ATOM 0 HB3 ASP A 32 -6.886 -3.484 -11.996 1.00 0.94 H new ATOM 463 N LEU A 33 -7.501 -1.694 -9.396 1.00 0.51 N ATOM 464 CA LEU A 33 -8.754 -1.109 -8.904 1.00 0.60 C ATOM 465 C LEU A 33 -8.580 0.167 -8.061 1.00 0.50 C ATOM 466 O LEU A 33 -7.474 0.612 -7.801 1.00 0.60 O ATOM 467 CB LEU A 33 -9.653 -2.175 -8.212 1.00 0.85 C ATOM 468 CG LEU A 33 -9.055 -3.030 -7.070 1.00 0.69 C ATOM 469 CD1 LEU A 33 -8.729 -2.206 -5.831 1.00 1.35 C ATOM 470 CD2 LEU A 33 -10.004 -4.163 -6.719 1.00 1.12 C ATOM 0 H LEU A 33 -7.169 -2.499 -8.865 1.00 0.51 H new ATOM 0 HA LEU A 33 -9.281 -0.765 -9.794 1.00 0.60 H new ATOM 0 HB2 LEU A 33 -10.528 -1.660 -7.815 1.00 0.85 H new ATOM 0 HB3 LEU A 33 -10.008 -2.858 -8.984 1.00 0.85 H new ATOM 0 HG LEU A 33 -8.113 -3.441 -7.432 1.00 0.69 H new ATOM 0 HD11 LEU A 33 -8.312 -2.856 -5.061 1.00 1.35 H new ATOM 0 HD12 LEU A 33 -8.002 -1.435 -6.088 1.00 1.35 H new ATOM 0 HD13 LEU A 33 -9.639 -1.737 -5.456 1.00 1.35 H new ATOM 0 HD21 LEU A 33 -9.576 -4.760 -5.914 1.00 1.12 H new ATOM 0 HD22 LEU A 33 -10.960 -3.750 -6.396 1.00 1.12 H new ATOM 0 HD23 LEU A 33 -10.159 -4.793 -7.595 1.00 1.12 H new ATOM 482 N ARG A 34 -9.691 0.751 -7.678 1.00 0.50 N ATOM 483 CA ARG A 34 -9.720 1.955 -6.872 1.00 0.51 C ATOM 484 C ARG A 34 -9.738 1.639 -5.395 1.00 0.47 C ATOM 485 O ARG A 34 -10.313 0.633 -4.964 1.00 0.58 O ATOM 486 CB ARG A 34 -10.967 2.781 -7.192 1.00 0.67 C ATOM 487 CG ARG A 34 -10.949 3.479 -8.527 1.00 0.85 C ATOM 488 CD ARG A 34 -9.855 4.518 -8.561 1.00 0.93 C ATOM 489 NE ARG A 34 -9.880 5.299 -9.784 1.00 1.72 N ATOM 490 CZ ARG A 34 -9.146 6.394 -9.996 1.00 2.04 C ATOM 491 NH1 ARG A 34 -8.297 6.819 -9.064 1.00 1.66 N ATOM 492 NH2 ARG A 34 -9.276 7.075 -11.129 1.00 3.07 N ATOM 0 H ARG A 34 -10.617 0.399 -7.920 1.00 0.50 H new ATOM 0 HA ARG A 34 -8.816 2.515 -7.110 1.00 0.51 H new ATOM 0 HB2 ARG A 34 -11.837 2.125 -7.155 1.00 0.67 H new ATOM 0 HB3 ARG A 34 -11.098 3.529 -6.410 1.00 0.67 H new ATOM 0 HG2 ARG A 34 -10.793 2.751 -9.323 1.00 0.85 H new ATOM 0 HG3 ARG A 34 -11.914 3.951 -8.711 1.00 0.85 H new ATOM 0 HD2 ARG A 34 -9.961 5.184 -7.704 1.00 0.93 H new ATOM 0 HD3 ARG A 34 -8.887 4.027 -8.465 1.00 0.93 H new ATOM 0 HE ARG A 34 -10.500 4.990 -10.532 1.00 1.72 H new ATOM 0 HH11 ARG A 34 -8.206 6.308 -8.186 1.00 1.66 H new ATOM 0 HH12 ARG A 34 -7.737 7.656 -9.228 1.00 1.66 H new ATOM 0 HH21 ARG A 34 -9.938 6.762 -11.839 1.00 3.07 H new ATOM 0 HH22 ARG A 34 -8.714 7.911 -11.289 1.00 3.07 H new ATOM 506 N PHE A 35 -9.172 2.536 -4.614 1.00 0.42 N ATOM 507 CA PHE A 35 -9.179 2.418 -3.172 1.00 0.42 C ATOM 508 C PHE A 35 -10.586 2.686 -2.654 1.00 0.53 C ATOM 509 O PHE A 35 -10.983 2.189 -1.606 1.00 0.61 O ATOM 510 CB PHE A 35 -8.174 3.387 -2.538 1.00 0.41 C ATOM 511 CG PHE A 35 -6.744 3.101 -2.897 1.00 0.39 C ATOM 512 CD1 PHE A 35 -6.086 2.021 -2.333 1.00 0.43 C ATOM 513 CD2 PHE A 35 -6.056 3.902 -3.800 1.00 0.44 C ATOM 514 CE1 PHE A 35 -4.777 1.744 -2.654 1.00 0.51 C ATOM 515 CE2 PHE A 35 -4.745 3.626 -4.122 1.00 0.51 C ATOM 516 CZ PHE A 35 -4.106 2.549 -3.549 1.00 0.53 C ATOM 0 H PHE A 35 -8.694 3.367 -4.962 1.00 0.42 H new ATOM 0 HA PHE A 35 -8.880 1.407 -2.896 1.00 0.42 H new ATOM 0 HB2 PHE A 35 -8.420 4.403 -2.847 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -8.281 3.348 -1.454 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -6.608 1.387 -1.631 1.00 0.43 H new ATOM 0 HD2 PHE A 35 -6.553 4.747 -4.253 1.00 0.44 H new ATOM 0 HE1 PHE A 35 -4.277 0.898 -2.206 1.00 0.51 H new ATOM 0 HE2 PHE A 35 -4.218 4.255 -4.824 1.00 0.51 H new ATOM 0 HZ PHE A 35 -3.078 2.335 -3.801 1.00 0.53 H new ATOM 526 N GLU A 36 -11.331 3.448 -3.437 1.00 0.64 N ATOM 527 CA GLU A 36 -12.724 3.786 -3.191 1.00 0.83 C ATOM 528 C GLU A 36 -13.562 2.520 -3.007 1.00 0.92 C ATOM 529 O GLU A 36 -14.415 2.442 -2.132 1.00 1.05 O ATOM 530 CB GLU A 36 -13.259 4.568 -4.399 1.00 1.00 C ATOM 531 CG GLU A 36 -14.660 5.113 -4.233 1.00 1.56 C ATOM 532 CD GLU A 36 -14.742 6.115 -3.119 1.00 2.05 C ATOM 533 OE1 GLU A 36 -14.401 7.296 -3.334 1.00 2.39 O ATOM 534 OE2 GLU A 36 -15.172 5.739 -2.010 1.00 2.77 O ATOM 0 H GLU A 36 -10.969 3.864 -4.295 1.00 0.64 H new ATOM 0 HA GLU A 36 -12.791 4.385 -2.283 1.00 0.83 H new ATOM 0 HB2 GLU A 36 -12.583 5.398 -4.604 1.00 1.00 H new ATOM 0 HB3 GLU A 36 -13.239 3.917 -5.273 1.00 1.00 H new ATOM 0 HG2 GLU A 36 -14.981 5.579 -5.165 1.00 1.56 H new ATOM 0 HG3 GLU A 36 -15.348 4.291 -4.034 1.00 1.56 H new ATOM 541 N ASP A 37 -13.290 1.519 -3.819 1.00 0.92 N ATOM 542 CA ASP A 37 -14.068 0.293 -3.781 1.00 1.07 C ATOM 543 C ASP A 37 -13.712 -0.539 -2.565 1.00 1.02 C ATOM 544 O ASP A 37 -14.574 -1.185 -1.963 1.00 1.20 O ATOM 545 CB ASP A 37 -13.865 -0.523 -5.057 1.00 1.17 C ATOM 546 CG ASP A 37 -14.748 -1.755 -5.114 1.00 1.39 C ATOM 547 OD1 ASP A 37 -15.982 -1.621 -5.227 1.00 1.64 O ATOM 548 OD2 ASP A 37 -14.217 -2.882 -4.990 1.00 1.99 O ATOM 0 H ASP A 37 -12.540 1.527 -4.511 1.00 0.92 H new ATOM 0 HA ASP A 37 -15.120 0.571 -3.712 1.00 1.07 H new ATOM 0 HB2 ASP A 37 -14.072 0.107 -5.922 1.00 1.17 H new ATOM 0 HB3 ASP A 37 -12.820 -0.827 -5.126 1.00 1.17 H new ATOM 553 N ILE A 38 -12.463 -0.471 -2.159 1.00 0.85 N ATOM 554 CA ILE A 38 -11.980 -1.289 -1.057 1.00 0.88 C ATOM 555 C ILE A 38 -12.010 -0.553 0.283 1.00 0.84 C ATOM 556 O ILE A 38 -11.447 -1.019 1.278 1.00 0.91 O ATOM 557 CB ILE A 38 -10.574 -1.879 -1.330 1.00 0.85 C ATOM 558 CG1 ILE A 38 -9.543 -0.757 -1.554 1.00 0.66 C ATOM 559 CG2 ILE A 38 -10.643 -2.804 -2.537 1.00 0.97 C ATOM 560 CD1 ILE A 38 -8.125 -1.240 -1.788 1.00 0.68 C ATOM 0 H ILE A 38 -11.760 0.141 -2.573 1.00 0.85 H new ATOM 0 HA ILE A 38 -12.679 -2.122 -0.985 1.00 0.88 H new ATOM 0 HB ILE A 38 -10.251 -2.451 -0.461 1.00 0.85 H new ATOM 0 HG12 ILE A 38 -9.856 -0.160 -2.411 1.00 0.66 H new ATOM 0 HG13 ILE A 38 -9.550 -0.097 -0.686 1.00 0.66 H new ATOM 0 HG21 ILE A 38 -9.655 -3.221 -2.732 1.00 0.97 H new ATOM 0 HG22 ILE A 38 -11.345 -3.613 -2.336 1.00 0.97 H new ATOM 0 HG23 ILE A 38 -10.978 -2.241 -3.408 1.00 0.97 H new ATOM 0 HD11 ILE A 38 -7.468 -0.383 -1.936 1.00 0.68 H new ATOM 0 HD12 ILE A 38 -7.788 -1.811 -0.923 1.00 0.68 H new ATOM 0 HD13 ILE A 38 -8.098 -1.875 -2.674 1.00 0.68 H new ATOM 572 N GLY A 39 -12.723 0.553 0.308 1.00 0.81 N ATOM 573 CA GLY A 39 -12.898 1.328 1.524 1.00 0.82 C ATOM 574 C GLY A 39 -11.606 1.909 2.054 1.00 0.71 C ATOM 575 O GLY A 39 -11.349 1.871 3.256 1.00 0.82 O ATOM 0 H GLY A 39 -13.196 0.941 -0.508 1.00 0.81 H new ATOM 0 HA2 GLY A 39 -13.601 2.139 1.332 1.00 0.82 H new ATOM 0 HA3 GLY A 39 -13.344 0.694 2.290 1.00 0.82 H new ATOM 579 N TYR A 40 -10.794 2.431 1.175 1.00 0.56 N ATOM 580 CA TYR A 40 -9.544 3.026 1.557 1.00 0.48 C ATOM 581 C TYR A 40 -9.404 4.436 1.045 1.00 0.43 C ATOM 582 O TYR A 40 -9.827 4.751 -0.060 1.00 0.50 O ATOM 583 CB TYR A 40 -8.346 2.156 1.153 1.00 0.51 C ATOM 584 CG TYR A 40 -7.926 1.215 2.249 1.00 0.52 C ATOM 585 CD1 TYR A 40 -7.093 1.670 3.241 1.00 0.60 C ATOM 586 CD2 TYR A 40 -8.375 -0.103 2.319 1.00 0.67 C ATOM 587 CE1 TYR A 40 -6.709 0.873 4.281 1.00 0.79 C ATOM 588 CE2 TYR A 40 -7.983 -0.926 3.368 1.00 0.83 C ATOM 589 CZ TYR A 40 -7.146 -0.413 4.351 1.00 0.88 C ATOM 590 OH TYR A 40 -6.759 -1.183 5.413 1.00 1.13 O ATOM 0 H TYR A 40 -10.982 2.455 0.173 1.00 0.56 H new ATOM 0 HA TYR A 40 -9.548 3.083 2.646 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -8.601 1.582 0.263 1.00 0.51 H new ATOM 0 HB3 TYR A 40 -7.506 2.799 0.888 1.00 0.51 H new ATOM 0 HD1 TYR A 40 -6.731 2.687 3.197 1.00 0.60 H new ATOM 0 HD2 TYR A 40 -9.032 -0.487 1.553 1.00 0.67 H new ATOM 0 HE1 TYR A 40 -6.058 1.264 5.049 1.00 0.79 H new ATOM 0 HE2 TYR A 40 -8.324 -1.949 3.418 1.00 0.83 H new ATOM 0 HH TYR A 40 -6.202 -1.923 5.094 1.00 1.13 H new ATOM 600 N ASP A 41 -8.819 5.275 1.868 1.00 0.49 N ATOM 601 CA ASP A 41 -8.579 6.666 1.544 1.00 0.54 C ATOM 602 C ASP A 41 -7.141 6.979 1.964 1.00 0.52 C ATOM 603 O ASP A 41 -6.482 6.104 2.538 1.00 0.88 O ATOM 604 CB ASP A 41 -9.598 7.567 2.265 1.00 0.71 C ATOM 605 CG ASP A 41 -9.519 9.017 1.848 1.00 1.05 C ATOM 606 OD1 ASP A 41 -9.866 9.346 0.709 1.00 1.48 O ATOM 607 OD2 ASP A 41 -9.109 9.850 2.661 1.00 1.35 O ATOM 0 H ASP A 41 -8.491 5.008 2.796 1.00 0.49 H new ATOM 0 HA ASP A 41 -8.703 6.854 0.478 1.00 0.54 H new ATOM 0 HB2 ASP A 41 -10.603 7.195 2.069 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -9.436 7.497 3.341 1.00 0.71 H new ATOM 612 N SER A 42 -6.688 8.200 1.771 1.00 0.39 N ATOM 613 CA SER A 42 -5.292 8.557 1.925 1.00 0.48 C ATOM 614 C SER A 42 -4.803 8.397 3.345 1.00 0.42 C ATOM 615 O SER A 42 -3.664 7.994 3.570 1.00 0.43 O ATOM 616 CB SER A 42 -5.070 9.966 1.434 1.00 0.71 C ATOM 617 OG SER A 42 -6.014 10.872 2.080 1.00 0.98 O ATOM 0 H SER A 42 -7.285 8.982 1.500 1.00 0.39 H new ATOM 0 HA SER A 42 -4.706 7.865 1.320 1.00 0.48 H new ATOM 0 HB2 SER A 42 -4.048 10.278 1.649 1.00 0.71 H new ATOM 0 HB3 SER A 42 -5.195 10.007 0.352 1.00 0.71 H new ATOM 622 N LEU A 43 -5.671 8.689 4.287 1.00 0.46 N ATOM 623 CA LEU A 43 -5.359 8.554 5.693 1.00 0.52 C ATOM 624 C LEU A 43 -4.966 7.115 6.013 1.00 0.45 C ATOM 625 O LEU A 43 -3.862 6.849 6.506 1.00 0.53 O ATOM 626 CB LEU A 43 -6.554 8.985 6.535 1.00 0.66 C ATOM 627 CG LEU A 43 -6.948 10.461 6.449 1.00 0.83 C ATOM 628 CD1 LEU A 43 -8.179 10.726 7.291 1.00 1.02 C ATOM 629 CD2 LEU A 43 -5.801 11.352 6.905 1.00 0.97 C ATOM 0 H LEU A 43 -6.615 9.027 4.100 1.00 0.46 H new ATOM 0 HA LEU A 43 -4.514 9.200 5.932 1.00 0.52 H new ATOM 0 HB2 LEU A 43 -7.414 8.384 6.241 1.00 0.66 H new ATOM 0 HB3 LEU A 43 -6.341 8.748 7.577 1.00 0.66 H new ATOM 0 HG LEU A 43 -7.174 10.694 5.409 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -8.448 11.780 7.221 1.00 1.02 H new ATOM 0 HD12 LEU A 43 -9.006 10.115 6.929 1.00 1.02 H new ATOM 0 HD13 LEU A 43 -7.970 10.474 8.331 1.00 1.02 H new ATOM 0 HD21 LEU A 43 -6.103 12.397 6.836 1.00 0.97 H new ATOM 0 HD22 LEU A 43 -5.545 11.116 7.938 1.00 0.97 H new ATOM 0 HD23 LEU A 43 -4.933 11.182 6.268 1.00 0.97 H new ATOM 641 N ALA A 44 -5.833 6.191 5.648 1.00 0.40 N ATOM 642 CA ALA A 44 -5.595 4.780 5.875 1.00 0.39 C ATOM 643 C ALA A 44 -4.473 4.249 4.978 1.00 0.34 C ATOM 644 O ALA A 44 -3.825 3.248 5.293 1.00 0.38 O ATOM 645 CB ALA A 44 -6.867 4.001 5.666 1.00 0.43 C ATOM 0 H ALA A 44 -6.719 6.397 5.187 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.271 4.651 6.908 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -6.677 2.942 5.839 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.627 4.352 6.363 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.218 4.145 4.644 1.00 0.43 H new ATOM 651 N LEU A 45 -4.239 4.911 3.865 1.00 0.31 N ATOM 652 CA LEU A 45 -3.149 4.542 2.980 1.00 0.30 C ATOM 653 C LEU A 45 -1.810 4.881 3.606 1.00 0.29 C ATOM 654 O LEU A 45 -0.880 4.077 3.562 1.00 0.30 O ATOM 655 CB LEU A 45 -3.296 5.185 1.606 1.00 0.32 C ATOM 656 CG LEU A 45 -4.476 4.693 0.778 1.00 0.33 C ATOM 657 CD1 LEU A 45 -4.555 5.434 -0.542 1.00 0.34 C ATOM 658 CD2 LEU A 45 -4.368 3.197 0.550 1.00 0.36 C ATOM 0 H LEU A 45 -4.789 5.710 3.549 1.00 0.31 H new ATOM 0 HA LEU A 45 -3.192 3.463 2.835 1.00 0.30 H new ATOM 0 HB2 LEU A 45 -3.390 6.263 1.736 1.00 0.32 H new ATOM 0 HB3 LEU A 45 -2.380 5.010 1.042 1.00 0.32 H new ATOM 0 HG LEU A 45 -5.394 4.894 1.330 1.00 0.33 H new ATOM 0 HD11 LEU A 45 -5.405 5.065 -1.116 1.00 0.34 H new ATOM 0 HD12 LEU A 45 -4.679 6.500 -0.354 1.00 0.34 H new ATOM 0 HD13 LEU A 45 -3.637 5.270 -1.107 1.00 0.34 H new ATOM 0 HD21 LEU A 45 -5.217 2.857 -0.043 1.00 0.36 H new ATOM 0 HD22 LEU A 45 -3.442 2.976 0.018 1.00 0.36 H new ATOM 0 HD23 LEU A 45 -4.367 2.682 1.511 1.00 0.36 H new ATOM 670 N MET A 46 -1.722 6.054 4.224 1.00 0.30 N ATOM 671 CA MET A 46 -0.509 6.453 4.941 1.00 0.31 C ATOM 672 C MET A 46 -0.302 5.528 6.122 1.00 0.33 C ATOM 673 O MET A 46 0.824 5.144 6.436 1.00 0.37 O ATOM 674 CB MET A 46 -0.575 7.914 5.410 1.00 0.37 C ATOM 675 CG MET A 46 -0.643 8.924 4.276 1.00 0.40 C ATOM 676 SD MET A 46 -0.762 10.630 4.850 1.00 0.54 S ATOM 677 CE MET A 46 -2.311 10.586 5.746 1.00 1.67 C ATOM 0 H MET A 46 -2.472 6.745 4.245 1.00 0.30 H new ATOM 0 HA MET A 46 0.335 6.375 4.256 1.00 0.31 H new ATOM 0 HB2 MET A 46 -1.449 8.041 6.049 1.00 0.37 H new ATOM 0 HB3 MET A 46 0.301 8.128 6.022 1.00 0.37 H new ATOM 0 HG2 MET A 46 0.244 8.819 3.651 1.00 0.40 H new ATOM 0 HG3 MET A 46 -1.505 8.698 3.648 1.00 0.40 H new ATOM 0 HE1 MET A 46 -2.555 11.588 6.100 1.00 1.67 H new ATOM 0 HE2 MET A 46 -3.103 10.231 5.087 1.00 1.67 H new ATOM 0 HE3 MET A 46 -2.219 9.913 6.598 1.00 1.67 H new ATOM 687 N GLU A 47 -1.409 5.146 6.737 1.00 0.36 N ATOM 688 CA GLU A 47 -1.424 4.187 7.830 1.00 0.42 C ATOM 689 C GLU A 47 -0.830 2.841 7.360 1.00 0.43 C ATOM 690 O GLU A 47 0.061 2.285 8.006 1.00 0.52 O ATOM 691 CB GLU A 47 -2.867 4.033 8.330 1.00 0.45 C ATOM 692 CG GLU A 47 -3.067 3.056 9.477 1.00 0.62 C ATOM 693 CD GLU A 47 -4.462 3.148 10.062 1.00 1.07 C ATOM 694 OE1 GLU A 47 -5.381 2.505 9.507 1.00 1.97 O ATOM 695 OE2 GLU A 47 -4.672 3.827 11.095 1.00 1.29 O ATOM 0 H GLU A 47 -2.334 5.497 6.489 1.00 0.36 H new ATOM 0 HA GLU A 47 -0.807 4.540 8.656 1.00 0.42 H new ATOM 0 HB2 GLU A 47 -3.230 5.012 8.644 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.490 3.715 7.494 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -2.888 2.040 9.124 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -2.332 3.257 10.257 1.00 0.62 H new ATOM 702 N THR A 48 -1.291 2.370 6.206 1.00 0.39 N ATOM 703 CA THR A 48 -0.791 1.136 5.596 1.00 0.44 C ATOM 704 C THR A 48 0.711 1.258 5.276 1.00 0.45 C ATOM 705 O THR A 48 1.494 0.334 5.542 1.00 0.56 O ATOM 706 CB THR A 48 -1.584 0.805 4.306 1.00 0.44 C ATOM 707 OG1 THR A 48 -2.995 0.742 4.621 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.139 -0.541 3.723 1.00 0.53 C ATOM 0 H THR A 48 -2.022 2.831 5.664 1.00 0.39 H new ATOM 0 HA THR A 48 -0.931 0.325 6.310 1.00 0.44 H new ATOM 0 HB THR A 48 -1.393 1.585 3.569 1.00 0.44 H new ATOM 0 HG1 THR A 48 -3.333 1.646 4.790 1.00 0.49 H new ATOM 0 HG21 THR A 48 -1.709 -0.752 2.818 1.00 0.53 H new ATOM 0 HG22 THR A 48 -0.077 -0.499 3.481 1.00 0.53 H new ATOM 0 HG23 THR A 48 -1.314 -1.330 4.454 1.00 0.53 H new ATOM 716 N ALA A 49 1.101 2.400 4.714 1.00 0.37 N ATOM 717 CA ALA A 49 2.497 2.672 4.403 1.00 0.38 C ATOM 718 C ALA A 49 3.349 2.562 5.664 1.00 0.43 C ATOM 719 O ALA A 49 4.391 1.914 5.660 1.00 0.45 O ATOM 720 CB ALA A 49 2.642 4.054 3.784 1.00 0.36 C ATOM 0 H ALA A 49 0.462 3.155 4.464 1.00 0.37 H new ATOM 0 HA ALA A 49 2.845 1.932 3.682 1.00 0.38 H new ATOM 0 HB1 ALA A 49 3.691 4.243 3.557 1.00 0.36 H new ATOM 0 HB2 ALA A 49 2.057 4.104 2.865 1.00 0.36 H new ATOM 0 HB3 ALA A 49 2.281 4.806 4.485 1.00 0.36 H new ATOM 726 N ALA A 50 2.851 3.152 6.749 1.00 0.47 N ATOM 727 CA ALA A 50 3.518 3.122 8.047 1.00 0.57 C ATOM 728 C ALA A 50 3.721 1.682 8.523 1.00 0.62 C ATOM 729 O ALA A 50 4.794 1.327 9.030 1.00 0.68 O ATOM 730 CB ALA A 50 2.699 3.901 9.063 1.00 0.65 C ATOM 0 H ALA A 50 1.970 3.666 6.751 1.00 0.47 H new ATOM 0 HA ALA A 50 4.499 3.586 7.944 1.00 0.57 H new ATOM 0 HB1 ALA A 50 3.200 3.876 10.031 1.00 0.65 H new ATOM 0 HB2 ALA A 50 2.598 4.935 8.733 1.00 0.65 H new ATOM 0 HB3 ALA A 50 1.710 3.451 9.155 1.00 0.65 H new ATOM 736 N ARG A 51 2.692 0.854 8.327 1.00 0.65 N ATOM 737 CA ARG A 51 2.729 -0.565 8.706 1.00 0.76 C ATOM 738 C ARG A 51 3.892 -1.258 8.016 1.00 0.64 C ATOM 739 O ARG A 51 4.697 -1.948 8.647 1.00 0.62 O ATOM 740 CB ARG A 51 1.411 -1.274 8.314 1.00 0.95 C ATOM 741 CG ARG A 51 0.128 -0.684 8.913 1.00 1.23 C ATOM 742 CD ARG A 51 0.027 -0.870 10.423 1.00 0.90 C ATOM 743 NE ARG A 51 1.100 -0.204 11.172 1.00 1.76 N ATOM 744 CZ ARG A 51 1.526 -0.573 12.389 1.00 2.17 C ATOM 745 NH1 ARG A 51 0.924 -1.578 13.042 1.00 2.08 N ATOM 746 NH2 ARG A 51 2.536 0.076 12.952 1.00 3.21 N ATOM 0 H ARG A 51 1.811 1.145 7.903 1.00 0.65 H new ATOM 0 HA ARG A 51 2.854 -0.623 9.787 1.00 0.76 H new ATOM 0 HB2 ARG A 51 1.322 -1.258 7.228 1.00 0.95 H new ATOM 0 HB3 ARG A 51 1.481 -2.320 8.613 1.00 0.95 H new ATOM 0 HG2 ARG A 51 0.083 0.380 8.681 1.00 1.23 H new ATOM 0 HG3 ARG A 51 -0.735 -1.151 8.438 1.00 1.23 H new ATOM 0 HD2 ARG A 51 -0.935 -0.486 10.764 1.00 0.90 H new ATOM 0 HD3 ARG A 51 0.044 -1.936 10.651 1.00 0.90 H new ATOM 0 HE ARG A 51 1.555 0.598 10.735 1.00 1.76 H new ATOM 0 HH11 ARG A 51 0.138 -2.066 12.613 1.00 2.08 H new ATOM 0 HH12 ARG A 51 1.252 -1.854 13.967 1.00 2.08 H new ATOM 0 HH21 ARG A 51 2.983 0.850 12.460 1.00 3.21 H new ATOM 0 HH22 ARG A 51 2.866 -0.198 13.877 1.00 3.21 H new ATOM 760 N LEU A 52 3.991 -1.044 6.727 1.00 0.60 N ATOM 761 CA LEU A 52 5.042 -1.640 5.937 1.00 0.55 C ATOM 762 C LEU A 52 6.422 -1.058 6.208 1.00 0.46 C ATOM 763 O LEU A 52 7.424 -1.769 6.063 1.00 0.45 O ATOM 764 CB LEU A 52 4.687 -1.671 4.456 1.00 0.61 C ATOM 765 CG LEU A 52 3.571 -2.657 4.116 1.00 0.76 C ATOM 766 CD1 LEU A 52 3.220 -2.615 2.648 1.00 0.87 C ATOM 767 CD2 LEU A 52 3.992 -4.057 4.515 1.00 0.93 C ATOM 0 H LEU A 52 3.349 -0.455 6.197 1.00 0.60 H new ATOM 0 HA LEU A 52 5.115 -2.676 6.267 1.00 0.55 H new ATOM 0 HB2 LEU A 52 4.386 -0.672 4.142 1.00 0.61 H new ATOM 0 HB3 LEU A 52 5.577 -1.931 3.883 1.00 0.61 H new ATOM 0 HG LEU A 52 2.680 -2.369 4.674 1.00 0.76 H new ATOM 0 HD11 LEU A 52 2.423 -3.330 2.444 1.00 0.87 H new ATOM 0 HD12 LEU A 52 2.885 -1.612 2.382 1.00 0.87 H new ATOM 0 HD13 LEU A 52 4.098 -2.873 2.056 1.00 0.87 H new ATOM 0 HD21 LEU A 52 3.195 -4.760 4.272 1.00 0.93 H new ATOM 0 HD22 LEU A 52 4.897 -4.333 3.974 1.00 0.93 H new ATOM 0 HD23 LEU A 52 4.187 -4.087 5.587 1.00 0.93 H new ATOM 779 N GLU A 53 6.492 0.200 6.626 1.00 0.45 N ATOM 780 CA GLU A 53 7.773 0.782 7.000 1.00 0.44 C ATOM 781 C GLU A 53 8.357 0.019 8.178 1.00 0.46 C ATOM 782 O GLU A 53 9.498 -0.430 8.130 1.00 0.50 O ATOM 783 CB GLU A 53 7.675 2.252 7.380 1.00 0.52 C ATOM 784 CG GLU A 53 7.238 3.191 6.288 1.00 0.44 C ATOM 785 CD GLU A 53 7.380 4.615 6.736 1.00 0.45 C ATOM 786 OE1 GLU A 53 6.595 5.058 7.585 1.00 0.57 O ATOM 787 OE2 GLU A 53 8.217 5.344 6.180 1.00 0.45 O ATOM 0 H GLU A 53 5.692 0.827 6.713 1.00 0.45 H new ATOM 0 HA GLU A 53 8.414 0.708 6.121 1.00 0.44 H new ATOM 0 HB2 GLU A 53 6.977 2.345 8.212 1.00 0.52 H new ATOM 0 HB3 GLU A 53 8.650 2.578 7.743 1.00 0.52 H new ATOM 0 HG2 GLU A 53 7.838 3.023 5.393 1.00 0.44 H new ATOM 0 HG3 GLU A 53 6.201 2.989 6.019 1.00 0.44 H new ATOM 794 N SER A 54 7.532 -0.172 9.199 1.00 0.49 N ATOM 795 CA SER A 54 7.918 -0.871 10.414 1.00 0.56 C ATOM 796 C SER A 54 8.228 -2.358 10.142 1.00 0.55 C ATOM 797 O SER A 54 8.964 -3.005 10.893 1.00 0.67 O ATOM 798 CB SER A 54 6.793 -0.738 11.451 1.00 0.67 C ATOM 799 OG SER A 54 6.479 0.639 11.686 1.00 1.36 O ATOM 0 H SER A 54 6.567 0.158 9.205 1.00 0.49 H new ATOM 0 HA SER A 54 8.831 -0.417 10.800 1.00 0.56 H new ATOM 0 HB2 SER A 54 5.905 -1.264 11.100 1.00 0.67 H new ATOM 0 HB3 SER A 54 7.095 -1.211 12.385 1.00 0.67 H new ATOM 0 HG SER A 54 5.955 0.988 10.935 1.00 1.36 H new ATOM 805 N ARG A 55 7.677 -2.877 9.069 1.00 0.52 N ATOM 806 CA ARG A 55 7.833 -4.275 8.723 1.00 0.57 C ATOM 807 C ARG A 55 9.075 -4.537 7.828 1.00 0.54 C ATOM 808 O ARG A 55 9.730 -5.572 7.963 1.00 0.65 O ATOM 809 CB ARG A 55 6.547 -4.774 8.050 1.00 0.67 C ATOM 810 CG ARG A 55 6.544 -6.243 7.662 1.00 0.77 C ATOM 811 CD ARG A 55 5.230 -6.617 6.995 1.00 0.96 C ATOM 812 NE ARG A 55 5.252 -7.977 6.465 1.00 1.60 N ATOM 813 CZ ARG A 55 4.836 -8.325 5.241 1.00 2.10 C ATOM 814 NH1 ARG A 55 4.259 -7.428 4.451 1.00 1.89 N ATOM 815 NH2 ARG A 55 4.970 -9.570 4.819 1.00 3.10 N ATOM 0 H ARG A 55 7.108 -2.344 8.411 1.00 0.52 H new ATOM 0 HA ARG A 55 8.006 -4.834 9.643 1.00 0.57 H new ATOM 0 HB2 ARG A 55 5.710 -4.592 8.724 1.00 0.67 H new ATOM 0 HB3 ARG A 55 6.371 -4.178 7.154 1.00 0.67 H new ATOM 0 HG2 ARG A 55 7.373 -6.448 6.985 1.00 0.77 H new ATOM 0 HG3 ARG A 55 6.697 -6.859 8.548 1.00 0.77 H new ATOM 0 HD2 ARG A 55 4.418 -6.522 7.716 1.00 0.96 H new ATOM 0 HD3 ARG A 55 5.022 -5.916 6.186 1.00 0.96 H new ATOM 0 HE ARG A 55 5.610 -8.715 7.071 1.00 1.60 H new ATOM 0 HH11 ARG A 55 4.131 -6.470 4.776 1.00 1.89 H new ATOM 0 HH12 ARG A 55 3.943 -7.697 3.519 1.00 1.89 H new ATOM 0 HH21 ARG A 55 5.392 -10.272 5.427 1.00 3.10 H new ATOM 0 HH22 ARG A 55 4.651 -9.829 3.885 1.00 3.10 H new ATOM 829 N TYR A 56 9.395 -3.614 6.928 1.00 0.50 N ATOM 830 CA TYR A 56 10.519 -3.831 5.995 1.00 0.57 C ATOM 831 C TYR A 56 11.726 -2.917 6.221 1.00 0.59 C ATOM 832 O TYR A 56 12.826 -3.201 5.717 1.00 0.73 O ATOM 833 CB TYR A 56 10.056 -3.739 4.538 1.00 0.65 C ATOM 834 CG TYR A 56 9.239 -4.920 4.067 1.00 0.72 C ATOM 835 CD1 TYR A 56 7.864 -4.952 4.218 1.00 0.76 C ATOM 836 CD2 TYR A 56 9.859 -6.012 3.467 1.00 0.89 C ATOM 837 CE1 TYR A 56 7.129 -6.037 3.789 1.00 0.91 C ATOM 838 CE2 TYR A 56 9.130 -7.098 3.032 1.00 1.03 C ATOM 839 CZ TYR A 56 7.766 -7.108 3.196 1.00 1.03 C ATOM 840 OH TYR A 56 7.030 -8.192 2.759 1.00 1.21 O ATOM 0 H TYR A 56 8.910 -2.723 6.817 1.00 0.50 H new ATOM 0 HA TYR A 56 10.865 -4.842 6.211 1.00 0.57 H new ATOM 0 HB2 TYR A 56 9.465 -2.831 4.414 1.00 0.65 H new ATOM 0 HB3 TYR A 56 10.932 -3.640 3.897 1.00 0.65 H new ATOM 0 HD1 TYR A 56 7.359 -4.115 4.678 1.00 0.76 H new ATOM 0 HD2 TYR A 56 10.931 -6.008 3.340 1.00 0.89 H new ATOM 0 HE1 TYR A 56 6.057 -6.049 3.917 1.00 0.91 H new ATOM 0 HE2 TYR A 56 9.628 -7.935 2.565 1.00 1.03 H new ATOM 0 HH TYR A 56 6.125 -7.899 2.524 1.00 1.21 H new ATOM 850 N GLY A 57 11.547 -1.840 6.945 1.00 0.52 N ATOM 851 CA GLY A 57 12.644 -0.922 7.165 1.00 0.56 C ATOM 852 C GLY A 57 12.774 0.076 6.030 1.00 0.54 C ATOM 853 O GLY A 57 13.876 0.360 5.547 1.00 0.68 O ATOM 0 H GLY A 57 10.667 -1.577 7.388 1.00 0.52 H new ATOM 0 HA2 GLY A 57 12.490 -0.389 8.103 1.00 0.56 H new ATOM 0 HA3 GLY A 57 13.573 -1.482 7.266 1.00 0.56 H new ATOM 857 N VAL A 58 11.659 0.611 5.603 1.00 0.47 N ATOM 858 CA VAL A 58 11.642 1.569 4.513 1.00 0.44 C ATOM 859 C VAL A 58 11.230 2.952 4.989 1.00 0.42 C ATOM 860 O VAL A 58 10.875 3.133 6.156 1.00 0.44 O ATOM 861 CB VAL A 58 10.776 1.125 3.300 1.00 0.46 C ATOM 862 CG1 VAL A 58 11.373 -0.101 2.635 1.00 0.55 C ATOM 863 CG2 VAL A 58 9.338 0.846 3.723 1.00 0.43 C ATOM 0 H VAL A 58 10.740 0.401 5.994 1.00 0.47 H new ATOM 0 HA VAL A 58 12.670 1.614 4.155 1.00 0.44 H new ATOM 0 HB VAL A 58 10.768 1.944 2.581 1.00 0.46 H new ATOM 0 HG11 VAL A 58 10.752 -0.395 1.789 1.00 0.55 H new ATOM 0 HG12 VAL A 58 12.379 0.129 2.284 1.00 0.55 H new ATOM 0 HG13 VAL A 58 11.418 -0.919 3.354 1.00 0.55 H new ATOM 0 HG21 VAL A 58 8.756 0.538 2.854 1.00 0.43 H new ATOM 0 HG22 VAL A 58 9.326 0.051 4.469 1.00 0.43 H new ATOM 0 HG23 VAL A 58 8.902 1.750 4.149 1.00 0.43 H new ATOM 873 N SER A 59 11.266 3.903 4.100 1.00 0.43 N ATOM 874 CA SER A 59 10.910 5.245 4.414 1.00 0.48 C ATOM 875 C SER A 59 9.986 5.746 3.316 1.00 0.43 C ATOM 876 O SER A 59 10.405 5.943 2.160 1.00 0.49 O ATOM 877 CB SER A 59 12.182 6.108 4.537 1.00 0.65 C ATOM 878 OG SER A 59 11.904 7.428 5.016 1.00 1.28 O ATOM 0 H SER A 59 11.547 3.761 3.130 1.00 0.43 H new ATOM 0 HA SER A 59 10.392 5.304 5.371 1.00 0.48 H new ATOM 0 HB2 SER A 59 12.884 5.620 5.213 1.00 0.65 H new ATOM 0 HB3 SER A 59 12.669 6.173 3.564 1.00 0.65 H new ATOM 0 HG SER A 59 12.740 7.936 5.079 1.00 1.28 H new ATOM 884 N ILE A 60 8.733 5.871 3.656 1.00 0.39 N ATOM 885 CA ILE A 60 7.713 6.279 2.728 1.00 0.38 C ATOM 886 C ILE A 60 7.148 7.630 3.147 1.00 0.41 C ATOM 887 O ILE A 60 6.611 7.767 4.253 1.00 0.45 O ATOM 888 CB ILE A 60 6.557 5.236 2.692 1.00 0.37 C ATOM 889 CG1 ILE A 60 7.103 3.846 2.319 1.00 0.45 C ATOM 890 CG2 ILE A 60 5.464 5.671 1.707 1.00 0.38 C ATOM 891 CD1 ILE A 60 6.075 2.738 2.388 1.00 0.82 C ATOM 0 H ILE A 60 8.386 5.690 4.598 1.00 0.39 H new ATOM 0 HA ILE A 60 8.159 6.352 1.736 1.00 0.38 H new ATOM 0 HB ILE A 60 6.113 5.178 3.686 1.00 0.37 H new ATOM 0 HG12 ILE A 60 7.510 3.887 1.309 1.00 0.45 H new ATOM 0 HG13 ILE A 60 7.930 3.602 2.986 1.00 0.45 H new ATOM 0 HG21 ILE A 60 4.666 4.928 1.697 1.00 0.38 H new ATOM 0 HG22 ILE A 60 5.059 6.635 2.015 1.00 0.38 H new ATOM 0 HG23 ILE A 60 5.889 5.759 0.707 1.00 0.38 H new ATOM 0 HD11 ILE A 60 6.540 1.792 2.111 1.00 0.82 H new ATOM 0 HD12 ILE A 60 5.685 2.666 3.403 1.00 0.82 H new ATOM 0 HD13 ILE A 60 5.258 2.956 1.700 1.00 0.82 H new ATOM 903 N PRO A 61 7.283 8.659 2.294 1.00 0.48 N ATOM 904 CA PRO A 61 6.710 9.971 2.565 1.00 0.55 C ATOM 905 C PRO A 61 5.184 9.873 2.615 1.00 0.49 C ATOM 906 O PRO A 61 4.562 9.211 1.767 1.00 0.43 O ATOM 907 CB PRO A 61 7.165 10.836 1.382 1.00 0.66 C ATOM 908 CG PRO A 61 8.276 10.072 0.738 1.00 0.70 C ATOM 909 CD PRO A 61 7.997 8.624 1.010 1.00 0.58 C ATOM 0 HA PRO A 61 7.028 10.386 3.521 1.00 0.55 H new ATOM 0 HB2 PRO A 61 6.347 11.006 0.682 1.00 0.66 H new ATOM 0 HB3 PRO A 61 7.505 11.815 1.719 1.00 0.66 H new ATOM 0 HG2 PRO A 61 8.313 10.267 -0.334 1.00 0.70 H new ATOM 0 HG3 PRO A 61 9.241 10.367 1.149 1.00 0.70 H new ATOM 0 HD2 PRO A 61 7.390 8.175 0.223 1.00 0.58 H new ATOM 0 HD3 PRO A 61 8.916 8.041 1.075 1.00 0.58 H new ATOM 917 N ASP A 62 4.600 10.530 3.589 1.00 0.57 N ATOM 918 CA ASP A 62 3.163 10.428 3.873 1.00 0.56 C ATOM 919 C ASP A 62 2.309 10.878 2.710 1.00 0.48 C ATOM 920 O ASP A 62 1.455 10.133 2.248 1.00 0.46 O ATOM 921 CB ASP A 62 2.785 11.211 5.135 1.00 0.71 C ATOM 922 CG ASP A 62 3.468 10.695 6.374 1.00 1.23 C ATOM 923 OD1 ASP A 62 2.990 9.724 6.976 1.00 1.98 O ATOM 924 OD2 ASP A 62 4.511 11.270 6.772 1.00 1.52 O ATOM 0 H ASP A 62 5.100 11.158 4.218 1.00 0.57 H new ATOM 0 HA ASP A 62 2.962 9.370 4.041 1.00 0.56 H new ATOM 0 HB2 ASP A 62 3.043 12.261 4.995 1.00 0.71 H new ATOM 0 HB3 ASP A 62 1.705 11.164 5.276 1.00 0.71 H new ATOM 929 N ASP A 63 2.581 12.076 2.208 1.00 0.52 N ATOM 930 CA ASP A 63 1.812 12.676 1.090 1.00 0.56 C ATOM 931 C ASP A 63 1.743 11.744 -0.119 1.00 0.50 C ATOM 932 O ASP A 63 0.704 11.597 -0.748 1.00 0.60 O ATOM 933 CB ASP A 63 2.431 14.021 0.685 1.00 0.71 C ATOM 934 CG ASP A 63 1.763 14.649 -0.518 1.00 1.56 C ATOM 935 OD1 ASP A 63 0.646 15.193 -0.370 1.00 2.31 O ATOM 936 OD2 ASP A 63 2.321 14.572 -1.636 1.00 2.20 O ATOM 0 H ASP A 63 3.336 12.669 2.553 1.00 0.52 H new ATOM 0 HA ASP A 63 0.793 12.837 1.441 1.00 0.56 H new ATOM 0 HB2 ASP A 63 2.369 14.710 1.527 1.00 0.71 H new ATOM 0 HB3 ASP A 63 3.490 13.876 0.470 1.00 0.71 H new ATOM 941 N VAL A 64 2.840 11.064 -0.376 1.00 0.46 N ATOM 942 CA VAL A 64 2.961 10.142 -1.499 1.00 0.48 C ATOM 943 C VAL A 64 1.964 8.984 -1.362 1.00 0.42 C ATOM 944 O VAL A 64 1.323 8.587 -2.336 1.00 0.46 O ATOM 945 CB VAL A 64 4.388 9.571 -1.561 1.00 0.54 C ATOM 946 CG1 VAL A 64 4.549 8.618 -2.742 1.00 0.64 C ATOM 947 CG2 VAL A 64 5.403 10.693 -1.654 1.00 0.63 C ATOM 0 H VAL A 64 3.685 11.132 0.191 1.00 0.46 H new ATOM 0 HA VAL A 64 2.743 10.693 -2.414 1.00 0.48 H new ATOM 0 HB VAL A 64 4.564 9.009 -0.644 1.00 0.54 H new ATOM 0 HG11 VAL A 64 5.567 8.230 -2.760 1.00 0.64 H new ATOM 0 HG12 VAL A 64 3.847 7.790 -2.640 1.00 0.64 H new ATOM 0 HG13 VAL A 64 4.347 9.152 -3.671 1.00 0.64 H new ATOM 0 HG21 VAL A 64 6.408 10.272 -1.697 1.00 0.63 H new ATOM 0 HG22 VAL A 64 5.216 11.279 -2.554 1.00 0.63 H new ATOM 0 HG23 VAL A 64 5.316 11.336 -0.778 1.00 0.63 H new ATOM 957 N ALA A 65 1.814 8.483 -0.145 1.00 0.45 N ATOM 958 CA ALA A 65 0.925 7.360 0.126 1.00 0.46 C ATOM 959 C ALA A 65 -0.537 7.739 -0.090 1.00 0.44 C ATOM 960 O ALA A 65 -1.373 6.885 -0.296 1.00 0.51 O ATOM 961 CB ALA A 65 1.139 6.832 1.531 1.00 0.56 C ATOM 0 H ALA A 65 2.300 8.839 0.678 1.00 0.45 H new ATOM 0 HA ALA A 65 1.170 6.568 -0.582 1.00 0.46 H new ATOM 0 HB1 ALA A 65 0.465 5.994 1.711 1.00 0.56 H new ATOM 0 HB2 ALA A 65 2.171 6.498 1.641 1.00 0.56 H new ATOM 0 HB3 ALA A 65 0.935 7.624 2.252 1.00 0.56 H new ATOM 967 N GLY A 66 -0.828 9.021 -0.041 1.00 0.48 N ATOM 968 CA GLY A 66 -2.172 9.475 -0.312 1.00 0.57 C ATOM 969 C GLY A 66 -2.334 9.886 -1.764 1.00 0.58 C ATOM 970 O GLY A 66 -3.446 9.993 -2.283 1.00 0.91 O ATOM 0 H GLY A 66 -0.160 9.759 0.181 1.00 0.48 H new ATOM 0 HA2 GLY A 66 -2.881 8.681 -0.075 1.00 0.57 H new ATOM 0 HA3 GLY A 66 -2.410 10.319 0.336 1.00 0.57 H new ATOM 974 N ARG A 67 -1.218 10.091 -2.419 1.00 0.43 N ATOM 975 CA ARG A 67 -1.174 10.515 -3.805 1.00 0.48 C ATOM 976 C ARG A 67 -1.377 9.327 -4.765 1.00 0.45 C ATOM 977 O ARG A 67 -1.781 9.521 -5.919 1.00 0.63 O ATOM 978 CB ARG A 67 0.162 11.233 -4.077 1.00 0.59 C ATOM 979 CG ARG A 67 0.412 11.617 -5.525 1.00 1.35 C ATOM 980 CD ARG A 67 1.762 12.270 -5.687 1.00 1.46 C ATOM 981 NE ARG A 67 2.177 12.342 -7.089 1.00 2.35 N ATOM 982 CZ ARG A 67 3.433 12.561 -7.500 1.00 2.83 C ATOM 983 NH1 ARG A 67 4.354 13.003 -6.639 1.00 2.42 N ATOM 984 NH2 ARG A 67 3.739 12.383 -8.776 1.00 3.92 N ATOM 0 H ARG A 67 -0.296 9.967 -2.000 1.00 0.43 H new ATOM 0 HA ARG A 67 -1.994 11.210 -3.987 1.00 0.48 H new ATOM 0 HB2 ARG A 67 0.200 12.136 -3.468 1.00 0.59 H new ATOM 0 HB3 ARG A 67 0.976 10.589 -3.744 1.00 0.59 H new ATOM 0 HG2 ARG A 67 0.356 10.729 -6.155 1.00 1.35 H new ATOM 0 HG3 ARG A 67 -0.368 12.298 -5.864 1.00 1.35 H new ATOM 0 HD2 ARG A 67 1.730 13.275 -5.267 1.00 1.46 H new ATOM 0 HD3 ARG A 67 2.505 11.711 -5.118 1.00 1.46 H new ATOM 0 HE ARG A 67 1.459 12.217 -7.803 1.00 2.35 H new ATOM 0 HH11 ARG A 67 4.102 13.175 -5.666 1.00 2.42 H new ATOM 0 HH12 ARG A 67 5.310 13.169 -6.955 1.00 2.42 H new ATOM 0 HH21 ARG A 67 3.021 12.082 -9.435 1.00 3.92 H new ATOM 0 HH22 ARG A 67 4.692 12.547 -9.100 1.00 3.92 H new ATOM 998 N VAL A 68 -1.123 8.114 -4.281 1.00 0.39 N ATOM 999 CA VAL A 68 -1.270 6.895 -5.094 1.00 0.38 C ATOM 1000 C VAL A 68 -2.705 6.747 -5.641 1.00 0.43 C ATOM 1001 O VAL A 68 -3.682 6.716 -4.890 1.00 0.48 O ATOM 1002 CB VAL A 68 -0.832 5.607 -4.317 1.00 0.34 C ATOM 1003 CG1 VAL A 68 0.643 5.666 -3.981 1.00 0.37 C ATOM 1004 CG2 VAL A 68 -1.637 5.396 -3.049 1.00 0.36 C ATOM 0 H VAL A 68 -0.812 7.942 -3.325 1.00 0.39 H new ATOM 0 HA VAL A 68 -0.596 7.006 -5.943 1.00 0.38 H new ATOM 0 HB VAL A 68 -1.024 4.760 -4.976 1.00 0.34 H new ATOM 0 HG11 VAL A 68 0.930 4.763 -3.441 1.00 0.37 H new ATOM 0 HG12 VAL A 68 1.223 5.739 -4.901 1.00 0.37 H new ATOM 0 HG13 VAL A 68 0.840 6.539 -3.358 1.00 0.37 H new ATOM 0 HG21 VAL A 68 -1.295 4.491 -2.547 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.503 6.251 -2.386 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.693 5.294 -3.301 1.00 0.36 H new ATOM 1014 N ASP A 69 -2.815 6.747 -6.952 1.00 0.51 N ATOM 1015 CA ASP A 69 -4.112 6.656 -7.628 1.00 0.65 C ATOM 1016 C ASP A 69 -4.626 5.243 -7.542 1.00 0.52 C ATOM 1017 O ASP A 69 -5.772 4.999 -7.173 1.00 0.58 O ATOM 1018 CB ASP A 69 -3.960 7.053 -9.100 1.00 0.86 C ATOM 1019 CG ASP A 69 -5.251 7.151 -9.855 1.00 1.39 C ATOM 1020 OD1 ASP A 69 -6.054 8.082 -9.586 1.00 1.44 O ATOM 1021 OD2 ASP A 69 -5.533 6.249 -10.676 1.00 2.20 O ATOM 0 H ASP A 69 -2.018 6.809 -7.586 1.00 0.51 H new ATOM 0 HA ASP A 69 -4.816 7.332 -7.143 1.00 0.65 H new ATOM 0 HB2 ASP A 69 -3.449 8.014 -9.153 1.00 0.86 H new ATOM 0 HB3 ASP A 69 -3.319 6.324 -9.595 1.00 0.86 H new ATOM 1026 N THR A 70 -3.771 4.315 -7.873 1.00 0.42 N ATOM 1027 CA THR A 70 -4.108 2.928 -7.837 1.00 0.34 C ATOM 1028 C THR A 70 -3.075 2.163 -7.004 1.00 0.30 C ATOM 1029 O THR A 70 -1.953 2.668 -6.776 1.00 0.33 O ATOM 1030 CB THR A 70 -4.182 2.371 -9.280 1.00 0.40 C ATOM 1031 OG1 THR A 70 -2.958 2.669 -9.980 1.00 0.51 O ATOM 1032 CG2 THR A 70 -5.336 3.014 -10.021 1.00 0.48 C ATOM 0 H THR A 70 -2.816 4.506 -8.176 1.00 0.42 H new ATOM 0 HA THR A 70 -5.084 2.801 -7.369 1.00 0.34 H new ATOM 0 HB THR A 70 -4.329 1.292 -9.233 1.00 0.40 H new ATOM 0 HG1 THR A 70 -3.008 2.314 -10.892 1.00 0.51 H new ATOM 0 HG21 THR A 70 -5.383 2.618 -11.035 1.00 0.48 H new ATOM 0 HG22 THR A 70 -6.269 2.794 -9.502 1.00 0.48 H new ATOM 0 HG23 THR A 70 -5.188 4.093 -10.059 1.00 0.48 H new ATOM 1040 N PRO A 71 -3.419 0.946 -6.512 1.00 0.31 N ATOM 1041 CA PRO A 71 -2.511 0.113 -5.713 1.00 0.33 C ATOM 1042 C PRO A 71 -1.243 -0.245 -6.474 1.00 0.32 C ATOM 1043 O PRO A 71 -0.236 -0.593 -5.874 1.00 0.34 O ATOM 1044 CB PRO A 71 -3.333 -1.144 -5.422 1.00 0.38 C ATOM 1045 CG PRO A 71 -4.738 -0.689 -5.538 1.00 0.40 C ATOM 1046 CD PRO A 71 -4.734 0.301 -6.654 1.00 0.35 C ATOM 0 HA PRO A 71 -2.172 0.628 -4.814 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -3.111 -1.939 -6.133 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -3.122 -1.538 -4.428 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -5.406 -1.523 -5.753 1.00 0.40 H new ATOM 0 HG3 PRO A 71 -5.084 -0.235 -4.609 1.00 0.40 H new ATOM 0 HD2 PRO A 71 -4.845 -0.183 -7.624 1.00 0.35 H new ATOM 0 HD3 PRO A 71 -5.549 1.019 -6.561 1.00 0.35 H new ATOM 1054 N ARG A 72 -1.298 -0.133 -7.793 1.00 0.34 N ATOM 1055 CA ARG A 72 -0.156 -0.385 -8.648 1.00 0.39 C ATOM 1056 C ARG A 72 0.970 0.589 -8.313 1.00 0.32 C ATOM 1057 O ARG A 72 2.132 0.198 -8.231 1.00 0.31 O ATOM 1058 CB ARG A 72 -0.566 -0.254 -10.113 1.00 0.52 C ATOM 1059 CG ARG A 72 0.513 -0.641 -11.112 1.00 0.93 C ATOM 1060 CD ARG A 72 0.009 -0.492 -12.532 1.00 1.15 C ATOM 1061 NE ARG A 72 -1.169 -1.334 -12.793 1.00 1.31 N ATOM 1062 CZ ARG A 72 -2.344 -0.888 -13.260 1.00 1.78 C ATOM 1063 NH1 ARG A 72 -2.602 0.426 -13.335 1.00 2.53 N ATOM 1064 NH2 ARG A 72 -3.268 -1.764 -13.602 1.00 1.99 N ATOM 0 H ARG A 72 -2.142 0.137 -8.299 1.00 0.34 H new ATOM 0 HA ARG A 72 0.204 -1.400 -8.479 1.00 0.39 H new ATOM 0 HB2 ARG A 72 -1.444 -0.876 -10.288 1.00 0.52 H new ATOM 0 HB3 ARG A 72 -0.864 0.777 -10.302 1.00 0.52 H new ATOM 0 HG2 ARG A 72 1.392 -0.014 -10.966 1.00 0.93 H new ATOM 0 HG3 ARG A 72 0.824 -1.671 -10.938 1.00 0.93 H new ATOM 0 HD2 ARG A 72 -0.244 0.552 -12.719 1.00 1.15 H new ATOM 0 HD3 ARG A 72 0.805 -0.757 -13.228 1.00 1.15 H new ATOM 0 HE ARG A 72 -1.085 -2.333 -12.604 1.00 1.31 H new ATOM 0 HH11 ARG A 72 -1.899 1.102 -13.034 1.00 2.53 H new ATOM 0 HH12 ARG A 72 -3.501 0.750 -13.693 1.00 2.53 H new ATOM 0 HH21 ARG A 72 -3.083 -2.763 -13.509 1.00 1.99 H new ATOM 0 HH22 ARG A 72 -4.168 -1.443 -13.959 1.00 1.99 H new ATOM 1078 N GLU A 73 0.597 1.837 -8.054 1.00 0.31 N ATOM 1079 CA GLU A 73 1.554 2.879 -7.715 1.00 0.32 C ATOM 1080 C GLU A 73 2.095 2.619 -6.322 1.00 0.26 C ATOM 1081 O GLU A 73 3.278 2.731 -6.080 1.00 0.30 O ATOM 1082 CB GLU A 73 0.867 4.243 -7.729 1.00 0.45 C ATOM 1083 CG GLU A 73 1.805 5.435 -7.614 1.00 0.53 C ATOM 1084 CD GLU A 73 2.673 5.586 -8.833 1.00 1.09 C ATOM 1085 OE1 GLU A 73 2.218 6.136 -9.861 1.00 1.51 O ATOM 1086 OE2 GLU A 73 3.849 5.171 -8.778 1.00 1.86 O ATOM 0 H GLU A 73 -0.373 2.152 -8.073 1.00 0.31 H new ATOM 0 HA GLU A 73 2.364 2.873 -8.444 1.00 0.32 H new ATOM 0 HB2 GLU A 73 0.296 4.336 -8.653 1.00 0.45 H new ATOM 0 HB3 GLU A 73 0.152 4.282 -6.907 1.00 0.45 H new ATOM 0 HG2 GLU A 73 1.221 6.344 -7.470 1.00 0.53 H new ATOM 0 HG3 GLU A 73 2.435 5.317 -6.732 1.00 0.53 H new ATOM 1093 N LEU A 74 1.198 2.235 -5.425 1.00 0.25 N ATOM 1094 CA LEU A 74 1.533 1.976 -4.027 1.00 0.26 C ATOM 1095 C LEU A 74 2.519 0.795 -3.947 1.00 0.24 C ATOM 1096 O LEU A 74 3.531 0.860 -3.239 1.00 0.27 O ATOM 1097 CB LEU A 74 0.216 1.704 -3.234 1.00 0.29 C ATOM 1098 CG LEU A 74 0.248 1.785 -1.681 1.00 0.33 C ATOM 1099 CD1 LEU A 74 -1.166 1.716 -1.135 1.00 1.30 C ATOM 1100 CD2 LEU A 74 1.069 0.667 -1.059 1.00 1.14 C ATOM 0 H LEU A 74 0.212 2.093 -5.645 1.00 0.25 H new ATOM 0 HA LEU A 74 2.023 2.840 -3.578 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.534 2.412 -3.586 1.00 0.29 H new ATOM 0 HB3 LEU A 74 -0.134 0.708 -3.506 1.00 0.29 H new ATOM 0 HG LEU A 74 0.718 2.733 -1.420 1.00 0.33 H new ATOM 0 HD11 LEU A 74 -1.139 1.773 -0.047 1.00 1.30 H new ATOM 0 HD12 LEU A 74 -1.749 2.549 -1.528 1.00 1.30 H new ATOM 0 HD13 LEU A 74 -1.627 0.776 -1.438 1.00 1.30 H new ATOM 0 HD21 LEU A 74 1.059 0.769 0.026 1.00 1.14 H new ATOM 0 HD22 LEU A 74 0.641 -0.296 -1.337 1.00 1.14 H new ATOM 0 HD23 LEU A 74 2.096 0.726 -1.420 1.00 1.14 H new ATOM 1112 N LEU A 75 2.227 -0.254 -4.704 1.00 0.22 N ATOM 1113 CA LEU A 75 3.075 -1.433 -4.764 1.00 0.24 C ATOM 1114 C LEU A 75 4.427 -1.058 -5.348 1.00 0.23 C ATOM 1115 O LEU A 75 5.470 -1.399 -4.789 1.00 0.25 O ATOM 1116 CB LEU A 75 2.426 -2.520 -5.635 1.00 0.28 C ATOM 1117 CG LEU A 75 3.181 -3.851 -5.730 1.00 0.36 C ATOM 1118 CD1 LEU A 75 3.202 -4.556 -4.395 1.00 0.42 C ATOM 1119 CD2 LEU A 75 2.579 -4.742 -6.791 1.00 0.47 C ATOM 0 H LEU A 75 1.396 -0.310 -5.293 1.00 0.22 H new ATOM 0 HA LEU A 75 3.204 -1.822 -3.754 1.00 0.24 H new ATOM 0 HB2 LEU A 75 1.427 -2.719 -5.246 1.00 0.28 H new ATOM 0 HB3 LEU A 75 2.303 -2.123 -6.643 1.00 0.28 H new ATOM 0 HG LEU A 75 4.209 -3.630 -6.016 1.00 0.36 H new ATOM 0 HD11 LEU A 75 3.743 -5.497 -4.489 1.00 0.42 H new ATOM 0 HD12 LEU A 75 3.698 -3.924 -3.658 1.00 0.42 H new ATOM 0 HD13 LEU A 75 2.180 -4.756 -4.073 1.00 0.42 H new ATOM 0 HD21 LEU A 75 3.134 -5.679 -6.837 1.00 0.47 H new ATOM 0 HD22 LEU A 75 1.538 -4.949 -6.545 1.00 0.47 H new ATOM 0 HD23 LEU A 75 2.631 -4.242 -7.758 1.00 0.47 H new ATOM 1131 N ASP A 76 4.391 -0.310 -6.444 1.00 0.24 N ATOM 1132 CA ASP A 76 5.598 0.122 -7.149 1.00 0.30 C ATOM 1133 C ASP A 76 6.453 0.991 -6.253 1.00 0.28 C ATOM 1134 O ASP A 76 7.670 0.830 -6.204 1.00 0.31 O ATOM 1135 CB ASP A 76 5.235 0.875 -8.426 1.00 0.40 C ATOM 1136 CG ASP A 76 6.441 1.269 -9.243 1.00 0.57 C ATOM 1137 OD1 ASP A 76 6.887 0.483 -10.094 1.00 0.76 O ATOM 1138 OD2 ASP A 76 6.992 2.364 -9.018 1.00 0.64 O ATOM 0 H ASP A 76 3.524 0.016 -6.872 1.00 0.24 H new ATOM 0 HA ASP A 76 6.170 -0.765 -7.422 1.00 0.30 H new ATOM 0 HB2 ASP A 76 4.579 0.252 -9.034 1.00 0.40 H new ATOM 0 HB3 ASP A 76 4.672 1.771 -8.165 1.00 0.40 H new ATOM 1143 N LEU A 77 5.799 1.890 -5.532 1.00 0.27 N ATOM 1144 CA LEU A 77 6.441 2.767 -4.570 1.00 0.29 C ATOM 1145 C LEU A 77 7.255 1.959 -3.577 1.00 0.28 C ATOM 1146 O LEU A 77 8.468 2.167 -3.438 1.00 0.33 O ATOM 1147 CB LEU A 77 5.391 3.603 -3.819 1.00 0.32 C ATOM 1148 CG LEU A 77 5.895 4.440 -2.634 1.00 0.43 C ATOM 1149 CD1 LEU A 77 6.878 5.516 -3.077 1.00 0.96 C ATOM 1150 CD2 LEU A 77 4.725 5.041 -1.875 1.00 0.63 C ATOM 0 H LEU A 77 4.791 2.031 -5.602 1.00 0.27 H new ATOM 0 HA LEU A 77 7.107 3.438 -5.113 1.00 0.29 H new ATOM 0 HB2 LEU A 77 4.917 4.276 -4.534 1.00 0.32 H new ATOM 0 HB3 LEU A 77 4.616 2.928 -3.454 1.00 0.32 H new ATOM 0 HG LEU A 77 6.437 3.774 -1.962 1.00 0.43 H new ATOM 0 HD11 LEU A 77 7.210 6.085 -2.209 1.00 0.96 H new ATOM 0 HD12 LEU A 77 7.739 5.048 -3.555 1.00 0.96 H new ATOM 0 HD13 LEU A 77 6.390 6.186 -3.785 1.00 0.96 H new ATOM 0 HD21 LEU A 77 5.099 5.631 -1.038 1.00 0.63 H new ATOM 0 HD22 LEU A 77 4.149 5.682 -2.542 1.00 0.63 H new ATOM 0 HD23 LEU A 77 4.086 4.242 -1.499 1.00 0.63 H new ATOM 1162 N ILE A 78 6.606 1.011 -2.940 1.00 0.25 N ATOM 1163 CA ILE A 78 7.253 0.199 -1.946 1.00 0.28 C ATOM 1164 C ILE A 78 8.290 -0.722 -2.578 1.00 0.30 C ATOM 1165 O ILE A 78 9.358 -0.896 -2.031 1.00 0.34 O ATOM 1166 CB ILE A 78 6.236 -0.574 -1.073 1.00 0.34 C ATOM 1167 CG1 ILE A 78 5.311 0.442 -0.391 1.00 0.40 C ATOM 1168 CG2 ILE A 78 6.950 -1.439 -0.028 1.00 0.40 C ATOM 1169 CD1 ILE A 78 4.298 -0.156 0.543 1.00 0.51 C ATOM 0 H ILE A 78 5.624 0.786 -3.097 1.00 0.25 H new ATOM 0 HA ILE A 78 7.785 0.870 -1.271 1.00 0.28 H new ATOM 0 HB ILE A 78 5.652 -1.245 -1.704 1.00 0.34 H new ATOM 0 HG12 ILE A 78 5.922 1.153 0.165 1.00 0.40 H new ATOM 0 HG13 ILE A 78 4.786 1.008 -1.161 1.00 0.40 H new ATOM 0 HG21 ILE A 78 6.211 -1.971 0.571 1.00 0.40 H new ATOM 0 HG22 ILE A 78 7.595 -2.159 -0.531 1.00 0.40 H new ATOM 0 HG23 ILE A 78 7.553 -0.803 0.620 1.00 0.40 H new ATOM 0 HD11 ILE A 78 3.690 0.638 0.977 1.00 0.51 H new ATOM 0 HD12 ILE A 78 3.657 -0.844 -0.008 1.00 0.51 H new ATOM 0 HD13 ILE A 78 4.811 -0.697 1.338 1.00 0.51 H new ATOM 1181 N ASN A 79 7.989 -1.273 -3.747 1.00 0.34 N ATOM 1182 CA ASN A 79 8.963 -2.105 -4.473 1.00 0.43 C ATOM 1183 C ASN A 79 10.224 -1.317 -4.786 1.00 0.46 C ATOM 1184 O ASN A 79 11.326 -1.795 -4.561 1.00 0.50 O ATOM 1185 CB ASN A 79 8.397 -2.731 -5.768 1.00 0.55 C ATOM 1186 CG ASN A 79 7.420 -3.885 -5.543 1.00 0.62 C ATOM 1187 OD1 ASN A 79 6.532 -4.122 -6.351 1.00 1.33 O ATOM 1188 ND2 ASN A 79 7.579 -4.616 -4.462 1.00 0.84 N ATOM 0 H ASN A 79 7.090 -1.166 -4.216 1.00 0.34 H new ATOM 0 HA ASN A 79 9.204 -2.931 -3.803 1.00 0.43 H new ATOM 0 HB2 ASN A 79 7.894 -1.953 -6.342 1.00 0.55 H new ATOM 0 HB3 ASN A 79 9.228 -3.089 -6.376 1.00 0.55 H new ATOM 0 HD21 ASN A 79 6.954 -5.402 -4.281 1.00 0.84 H new ATOM 0 HD22 ASN A 79 8.327 -4.397 -3.804 1.00 0.84 H new ATOM 1195 N GLY A 80 10.053 -0.096 -5.264 1.00 0.47 N ATOM 1196 CA GLY A 80 11.187 0.768 -5.552 1.00 0.56 C ATOM 1197 C GLY A 80 11.965 1.117 -4.294 1.00 0.55 C ATOM 1198 O GLY A 80 13.202 1.180 -4.311 1.00 0.63 O ATOM 0 H GLY A 80 9.142 0.319 -5.461 1.00 0.47 H new ATOM 0 HA2 GLY A 80 11.849 0.274 -6.263 1.00 0.56 H new ATOM 0 HA3 GLY A 80 10.835 1.684 -6.027 1.00 0.56 H new ATOM 1202 N ALA A 81 11.243 1.321 -3.200 1.00 0.49 N ATOM 1203 CA ALA A 81 11.853 1.618 -1.912 1.00 0.53 C ATOM 1204 C ALA A 81 12.639 0.411 -1.417 1.00 0.50 C ATOM 1205 O ALA A 81 13.754 0.542 -0.933 1.00 0.61 O ATOM 1206 CB ALA A 81 10.789 2.019 -0.898 1.00 0.53 C ATOM 0 H ALA A 81 10.224 1.285 -3.181 1.00 0.49 H new ATOM 0 HA ALA A 81 12.540 2.456 -2.033 1.00 0.53 H new ATOM 0 HB1 ALA A 81 11.263 2.237 0.059 1.00 0.53 H new ATOM 0 HB2 ALA A 81 10.263 2.905 -1.253 1.00 0.53 H new ATOM 0 HB3 ALA A 81 10.079 1.202 -0.773 1.00 0.53 H new ATOM 1212 N LEU A 82 12.052 -0.761 -1.578 1.00 0.42 N ATOM 1213 CA LEU A 82 12.674 -2.025 -1.204 1.00 0.44 C ATOM 1214 C LEU A 82 13.896 -2.311 -2.058 1.00 0.56 C ATOM 1215 O LEU A 82 14.858 -2.905 -1.595 1.00 0.74 O ATOM 1216 CB LEU A 82 11.670 -3.164 -1.331 1.00 0.40 C ATOM 1217 CG LEU A 82 10.529 -3.178 -0.318 1.00 0.38 C ATOM 1218 CD1 LEU A 82 9.542 -4.285 -0.643 1.00 0.45 C ATOM 1219 CD2 LEU A 82 11.080 -3.364 1.079 1.00 0.46 C ATOM 0 H LEU A 82 11.119 -0.867 -1.977 1.00 0.42 H new ATOM 0 HA LEU A 82 12.997 -1.946 -0.166 1.00 0.44 H new ATOM 0 HB2 LEU A 82 11.238 -3.129 -2.331 1.00 0.40 H new ATOM 0 HB3 LEU A 82 12.211 -4.107 -1.250 1.00 0.40 H new ATOM 0 HG LEU A 82 10.006 -2.223 -0.369 1.00 0.38 H new ATOM 0 HD11 LEU A 82 8.735 -4.280 0.090 1.00 0.45 H new ATOM 0 HD12 LEU A 82 9.129 -4.123 -1.639 1.00 0.45 H new ATOM 0 HD13 LEU A 82 10.052 -5.248 -0.614 1.00 0.45 H new ATOM 0 HD21 LEU A 82 10.259 -3.373 1.796 1.00 0.46 H new ATOM 0 HD22 LEU A 82 11.620 -4.309 1.134 1.00 0.46 H new ATOM 0 HD23 LEU A 82 11.759 -2.544 1.315 1.00 0.46 H new ATOM 1231 N ALA A 83 13.844 -1.881 -3.305 1.00 0.56 N ATOM 1232 CA ALA A 83 14.962 -2.021 -4.216 1.00 0.71 C ATOM 1233 C ALA A 83 16.115 -1.139 -3.762 1.00 0.84 C ATOM 1234 O ALA A 83 17.276 -1.531 -3.825 1.00 1.00 O ATOM 1235 CB ALA A 83 14.542 -1.671 -5.635 1.00 0.78 C ATOM 0 H ALA A 83 13.027 -1.426 -3.713 1.00 0.56 H new ATOM 0 HA ALA A 83 15.294 -3.059 -4.209 1.00 0.71 H new ATOM 0 HB1 ALA A 83 15.395 -1.782 -6.305 1.00 0.78 H new ATOM 0 HB2 ALA A 83 13.742 -2.339 -5.953 1.00 0.78 H new ATOM 0 HB3 ALA A 83 14.188 -0.641 -5.666 1.00 0.78 H new ATOM 1241 N GLU A 84 15.775 0.037 -3.258 1.00 0.89 N ATOM 1242 CA GLU A 84 16.761 0.969 -2.754 1.00 1.12 C ATOM 1243 C GLU A 84 17.291 0.482 -1.410 1.00 1.10 C ATOM 1244 O GLU A 84 18.424 0.767 -1.029 1.00 1.37 O ATOM 1245 CB GLU A 84 16.146 2.370 -2.636 1.00 1.34 C ATOM 1246 CG GLU A 84 17.104 3.439 -2.141 1.00 1.96 C ATOM 1247 CD GLU A 84 16.528 4.822 -2.243 1.00 2.48 C ATOM 1248 OE1 GLU A 84 15.879 5.269 -1.277 1.00 2.77 O ATOM 1249 OE2 GLU A 84 16.691 5.484 -3.295 1.00 3.17 O ATOM 0 H GLU A 84 14.812 0.367 -3.189 1.00 0.89 H new ATOM 0 HA GLU A 84 17.598 1.026 -3.450 1.00 1.12 H new ATOM 0 HB2 GLU A 84 15.762 2.668 -3.612 1.00 1.34 H new ATOM 0 HB3 GLU A 84 15.293 2.323 -1.959 1.00 1.34 H new ATOM 0 HG2 GLU A 84 17.366 3.234 -1.103 1.00 1.96 H new ATOM 0 HG3 GLU A 84 18.027 3.390 -2.719 1.00 1.96 H new ATOM 1256 N ALA A 85 16.478 -0.293 -0.729 1.00 1.08 N ATOM 1257 CA ALA A 85 16.816 -0.849 0.563 1.00 1.24 C ATOM 1258 C ALA A 85 17.564 -2.172 0.433 1.00 1.57 C ATOM 1259 O ALA A 85 17.878 -2.815 1.438 1.00 1.86 O ATOM 1260 CB ALA A 85 15.556 -1.041 1.399 1.00 1.36 C ATOM 0 H ALA A 85 15.551 -0.559 -1.061 1.00 1.08 H new ATOM 0 HA ALA A 85 17.478 -0.142 1.062 1.00 1.24 H new ATOM 0 HB1 ALA A 85 15.823 -1.460 2.369 1.00 1.36 H new ATOM 0 HB2 ALA A 85 15.064 -0.079 1.542 1.00 1.36 H new ATOM 0 HB3 ALA A 85 14.878 -1.722 0.884 1.00 1.36 H new ATOM 1266 N ALA A 86 17.854 -2.582 -0.785 1.00 2.28 N ATOM 1267 CA ALA A 86 18.556 -3.820 -1.015 1.00 2.95 C ATOM 1268 C ALA A 86 19.661 -3.616 -2.036 1.00 3.59 C ATOM 1269 O ALA A 86 19.440 -3.834 -3.249 1.00 4.18 O ATOM 1270 CB ALA A 86 17.594 -4.915 -1.444 1.00 3.65 C ATOM 1271 OXT ALA A 86 20.763 -3.185 -1.631 1.00 3.96 O ATOM 0 H ALA A 86 17.611 -2.070 -1.633 1.00 2.28 H new ATOM 0 HA ALA A 86 19.017 -4.140 -0.081 1.00 2.95 H new ATOM 0 HB1 ALA A 86 18.146 -5.840 -1.612 1.00 3.65 H new ATOM 0 HB2 ALA A 86 16.851 -5.073 -0.662 1.00 3.65 H new ATOM 0 HB3 ALA A 86 17.094 -4.619 -2.366 1.00 3.65 H new TER 1277 ALA A 86 HETATM 1278 P24 SXV A 87 -6.350 12.193 1.366 1.00 1.02 P HETATM 1279 O26 SXV A 87 -7.113 11.851 0.048 1.00 1.46 O HETATM 1280 O23 SXV A 87 -7.046 13.141 2.401 1.00 1.45 O HETATM 1281 O27 SXV A 87 -4.997 12.814 0.999 1.00 1.00 O HETATM 1282 C28 SXV A 87 -4.109 13.232 2.087 1.00 1.26 C HETATM 1283 C29 SXV A 87 -2.847 13.921 1.550 1.00 1.33 C HETATM 1284 C30 SXV A 87 -2.004 14.268 2.757 1.00 1.50 C HETATM 1285 C31 SXV A 87 -2.050 12.956 0.668 1.00 1.44 C HETATM 1286 C32 SXV A 87 -3.209 15.270 0.755 1.00 1.82 C HETATM 1287 O33 SXV A 87 -3.954 16.135 1.616 1.00 2.23 O HETATM 1288 C34 SXV A 87 -4.097 15.043 -0.495 1.00 2.37 C HETATM 1289 O35 SXV A 87 -5.291 15.410 -0.475 1.00 2.83 O HETATM 1290 N36 SXV A 87 -3.543 14.486 -1.557 1.00 3.05 N HETATM 1291 C37 SXV A 87 -4.239 14.221 -2.820 1.00 4.03 C HETATM 1292 C38 SXV A 87 -3.443 14.707 -4.035 1.00 4.86 C HETATM 1293 C39 SXV A 87 -3.280 16.231 -4.091 1.00 5.59 C HETATM 1294 O40 SXV A 87 -3.935 16.991 -3.357 1.00 5.87 O HETATM 1295 N41 SXV A 87 -2.397 16.667 -4.964 1.00 6.22 N HETATM 1296 C42 SXV A 87 -2.092 18.075 -5.168 1.00 7.18 C HETATM 1297 C43 SXV A 87 -0.637 18.311 -5.547 1.00 7.81 C HETATM 1298 S1 SXV A 87 -0.159 20.046 -5.433 1.00 8.59 S HETATM 1299 C1 SXV A 87 -0.472 20.357 -3.672 1.00 9.00 C HETATM 1300 C2 SXV A 87 -0.229 21.799 -3.256 1.00 9.66 C HETATM 1301 C3 SXV A 87 -0.431 22.018 -1.762 1.00 10.13 C HETATM 1302 O3 SXV A 87 -1.371 22.718 -1.331 1.00 10.24 O HETATM 1303 C4 SXV A 87 0.552 21.366 -0.808 1.00 10.73 C HETATM 0 HO33 SXV A 87 -4.850 16.275 1.244 1.00 2.23 H new HETATM 0 HN41 SXV A 87 -1.899 15.980 -5.529 1.00 6.22 H new HETATM 0 HN36 SXV A 87 -2.560 14.221 -1.494 1.00 3.05 H new HETATM 0 H43A SXV A 87 0.004 17.718 -4.895 1.00 7.81 H new HETATM 0 H42A SXV A 87 -2.737 18.472 -5.952 1.00 7.18 H new HETATM 0 H38A SXV A 87 -2.456 14.244 -4.021 1.00 4.86 H new HETATM 0 H37A SXV A 87 -4.423 13.151 -2.913 1.00 4.03 H new HETATM 0 H31B SXV A 87 -1.758 12.085 1.254 1.00 1.44 H new HETATM 0 H31A SXV A 87 -2.667 12.638 -0.173 1.00 1.44 H new HETATM 0 H30B SXV A 87 -2.564 14.935 3.412 1.00 1.50 H new HETATM 0 H30A SXV A 87 -1.751 13.356 3.298 1.00 1.50 H new HETATM 0 H28A SXV A 87 -4.641 13.912 2.752 1.00 1.26 H new HETATM 0 H4B SXV A 87 0.526 20.285 -0.942 1.00 10.73 H new HETATM 0 H4A SXV A 87 1.557 21.733 -1.015 1.00 10.73 H new HETATM 0 H43 SXV A 87 -0.469 17.959 -6.565 1.00 7.81 H new HETATM 0 H42 SXV A 87 -2.320 18.628 -4.257 1.00 7.18 H new HETATM 0 H4 SXV A 87 0.280 21.611 0.219 1.00 10.73 H new HETATM 0 H38 SXV A 87 -3.941 14.369 -4.944 1.00 4.86 H new HETATM 0 H37 SXV A 87 -5.212 14.712 -2.806 1.00 4.03 H new HETATM 0 H32 SXV A 87 -2.254 15.689 0.436 1.00 1.82 H new HETATM 0 H31 SXV A 87 -1.158 13.458 0.294 1.00 1.44 H new HETATM 0 H30 SXV A 87 -1.089 14.763 2.432 1.00 1.50 H new HETATM 0 H2A SXV A 87 0.787 22.086 -3.528 1.00 9.66 H new HETATM 0 H28 SXV A 87 -3.826 12.363 2.681 1.00 1.26 H new HETATM 0 H2 SXV A 87 -0.903 22.452 -3.810 1.00 9.66 H new HETATM 0 H1A SXV A 87 -1.504 20.090 -3.442 1.00 9.00 H new HETATM 0 H1 SXV A 87 0.166 19.704 -3.077 1.00 9.00 H new