USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=17 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 Single : A 1 MET CE :methyl 163:sc= -0.317 (180deg=-0.806) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.0176 (180deg=-0.0221) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -80:sc= 1.14 USER MOD Single : A 7 THR OG1 : rot 170:sc= -0.0512 USER MOD Single : A 17 SER OG : rot 36:sc= 1.27 USER MOD Single : A 21 THR OG1 : rot 64:sc= 0.536 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 15:sc= -1.18 USER MOD Single : A 46 MET CE :methyl -152:sc= -5.17! (180deg=-7.36!) USER MOD Single : A 48 THR OG1 : rot 79:sc= 1.29 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -146:sc= -1.82! USER MOD Single : A 59 SER OG : rot 23:sc= 1.12 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.165 USER MOD Single : A 79 ASN : amide:sc= -1.61 K(o=-1.6,f=-2.5!) USER MOD Single : A 87 SXV O33 : rot 23:sc= 0.559 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.020 -6.884 -4.940 1.00 2.87 N ATOM 2 CA MET A 1 20.145 -7.424 -3.919 1.00 2.67 C ATOM 3 C MET A 1 18.969 -6.513 -3.778 1.00 2.47 C ATOM 4 O MET A 1 19.121 -5.291 -3.818 1.00 2.83 O ATOM 5 CB MET A 1 20.860 -7.560 -2.570 1.00 3.14 C ATOM 6 CG MET A 1 22.033 -8.521 -2.577 1.00 3.63 C ATOM 7 SD MET A 1 22.793 -8.715 -0.953 1.00 4.48 S ATOM 8 CE MET A 1 21.423 -9.407 -0.025 1.00 5.01 C ATOM 0 H1 MET A 1 21.176 -7.600 -5.677 1.00 2.87 H new ATOM 0 H2 MET A 1 20.581 -6.042 -5.363 1.00 2.87 H new ATOM 0 H3 MET A 1 21.931 -6.622 -4.513 1.00 2.87 H new ATOM 0 HA MET A 1 19.828 -8.422 -4.220 1.00 2.67 H new ATOM 0 HB2 MET A 1 21.213 -6.577 -2.259 1.00 3.14 H new ATOM 0 HB3 MET A 1 20.139 -7.891 -1.822 1.00 3.14 H new ATOM 0 HG2 MET A 1 21.696 -9.495 -2.933 1.00 3.63 H new ATOM 0 HG3 MET A 1 22.783 -8.165 -3.283 1.00 3.63 H new ATOM 0 HE1 MET A 1 21.797 -9.860 0.893 1.00 5.01 H new ATOM 0 HE2 MET A 1 20.715 -8.616 0.223 1.00 5.01 H new ATOM 0 HE3 MET A 1 20.923 -10.166 -0.626 1.00 5.01 H new ATOM 20 N ALA A 2 17.807 -7.095 -3.658 1.00 2.15 N ATOM 21 CA ALA A 2 16.578 -6.370 -3.516 1.00 2.02 C ATOM 22 C ALA A 2 15.539 -7.304 -2.965 1.00 1.59 C ATOM 23 O ALA A 2 15.145 -8.267 -3.637 1.00 1.59 O ATOM 24 CB ALA A 2 16.118 -5.818 -4.863 1.00 2.33 C ATOM 0 H ALA A 2 17.688 -8.108 -3.656 1.00 2.15 H new ATOM 0 HA ALA A 2 16.728 -5.528 -2.840 1.00 2.02 H new ATOM 0 HB1 ALA A 2 15.184 -5.272 -4.732 1.00 2.33 H new ATOM 0 HB2 ALA A 2 16.879 -5.146 -5.260 1.00 2.33 H new ATOM 0 HB3 ALA A 2 15.962 -6.642 -5.560 1.00 2.33 H new ATOM 30 N THR A 3 15.140 -7.084 -1.748 1.00 1.52 N ATOM 31 CA THR A 3 14.120 -7.899 -1.160 1.00 1.28 C ATOM 32 C THR A 3 12.767 -7.321 -1.599 1.00 1.04 C ATOM 33 O THR A 3 12.361 -6.262 -1.181 1.00 1.23 O ATOM 34 CB THR A 3 14.284 -7.960 0.412 1.00 1.66 C ATOM 35 OG1 THR A 3 13.257 -8.767 1.020 1.00 2.10 O ATOM 36 CG2 THR A 3 14.316 -6.575 1.064 1.00 2.36 C ATOM 0 H THR A 3 15.505 -6.348 -1.144 1.00 1.52 H new ATOM 0 HA THR A 3 14.194 -8.932 -1.499 1.00 1.28 H new ATOM 0 HB THR A 3 15.253 -8.426 0.590 1.00 1.66 H new ATOM 0 HG1 THR A 3 13.388 -8.786 1.991 1.00 2.10 H new ATOM 0 HG21 THR A 3 14.430 -6.683 2.143 1.00 2.36 H new ATOM 0 HG22 THR A 3 15.155 -6.005 0.666 1.00 2.36 H new ATOM 0 HG23 THR A 3 13.385 -6.050 0.849 1.00 2.36 H new ATOM 44 N LEU A 4 12.120 -7.996 -2.507 1.00 0.77 N ATOM 45 CA LEU A 4 10.886 -7.493 -3.066 1.00 0.59 C ATOM 46 C LEU A 4 9.691 -8.149 -2.416 1.00 0.58 C ATOM 47 O LEU A 4 9.783 -9.281 -1.927 1.00 0.79 O ATOM 48 CB LEU A 4 10.862 -7.701 -4.586 1.00 0.63 C ATOM 49 CG LEU A 4 11.989 -7.018 -5.373 1.00 0.70 C ATOM 50 CD1 LEU A 4 11.868 -7.324 -6.853 1.00 0.86 C ATOM 51 CD2 LEU A 4 11.979 -5.511 -5.136 1.00 0.64 C ATOM 0 H LEU A 4 12.422 -8.896 -2.879 1.00 0.77 H new ATOM 0 HA LEU A 4 10.831 -6.423 -2.864 1.00 0.59 H new ATOM 0 HB2 LEU A 4 10.901 -8.771 -4.788 1.00 0.63 H new ATOM 0 HB3 LEU A 4 9.907 -7.339 -4.968 1.00 0.63 H new ATOM 0 HG LEU A 4 12.940 -7.413 -5.016 1.00 0.70 H new ATOM 0 HD11 LEU A 4 12.676 -6.831 -7.394 1.00 0.86 H new ATOM 0 HD12 LEU A 4 11.932 -8.401 -7.008 1.00 0.86 H new ATOM 0 HD13 LEU A 4 10.909 -6.960 -7.223 1.00 0.86 H new ATOM 0 HD21 LEU A 4 12.786 -5.048 -5.704 1.00 0.64 H new ATOM 0 HD22 LEU A 4 11.024 -5.098 -5.461 1.00 0.64 H new ATOM 0 HD23 LEU A 4 12.120 -5.309 -4.074 1.00 0.64 H new ATOM 63 N LEU A 5 8.580 -7.450 -2.411 1.00 0.53 N ATOM 64 CA LEU A 5 7.366 -7.953 -1.819 1.00 0.58 C ATOM 65 C LEU A 5 6.353 -8.206 -2.924 1.00 0.47 C ATOM 66 O LEU A 5 6.426 -7.575 -3.989 1.00 0.54 O ATOM 67 CB LEU A 5 6.780 -6.971 -0.763 1.00 0.85 C ATOM 68 CG LEU A 5 5.977 -5.736 -1.253 1.00 0.59 C ATOM 69 CD1 LEU A 5 5.351 -5.015 -0.078 1.00 0.85 C ATOM 70 CD2 LEU A 5 6.821 -4.757 -2.057 1.00 1.27 C ATOM 0 H LEU A 5 8.494 -6.518 -2.817 1.00 0.53 H new ATOM 0 HA LEU A 5 7.595 -8.881 -1.295 1.00 0.58 H new ATOM 0 HB2 LEU A 5 6.131 -7.546 -0.103 1.00 0.85 H new ATOM 0 HB3 LEU A 5 7.609 -6.606 -0.156 1.00 0.85 H new ATOM 0 HG LEU A 5 5.201 -6.118 -1.917 1.00 0.59 H new ATOM 0 HD11 LEU A 5 4.791 -4.151 -0.437 1.00 0.85 H new ATOM 0 HD12 LEU A 5 4.677 -5.692 0.447 1.00 0.85 H new ATOM 0 HD13 LEU A 5 6.134 -4.682 0.604 1.00 0.85 H new ATOM 0 HD21 LEU A 5 6.203 -3.916 -2.371 1.00 1.27 H new ATOM 0 HD22 LEU A 5 7.643 -4.393 -1.440 1.00 1.27 H new ATOM 0 HD23 LEU A 5 7.223 -5.260 -2.937 1.00 1.27 H new ATOM 82 N THR A 6 5.445 -9.108 -2.684 1.00 0.43 N ATOM 83 CA THR A 6 4.432 -9.454 -3.646 1.00 0.48 C ATOM 84 C THR A 6 3.123 -8.693 -3.364 1.00 0.49 C ATOM 85 O THR A 6 3.074 -7.810 -2.489 1.00 0.52 O ATOM 86 CB THR A 6 4.152 -10.971 -3.624 1.00 0.58 C ATOM 87 OG1 THR A 6 3.663 -11.347 -2.317 1.00 0.64 O ATOM 88 CG2 THR A 6 5.419 -11.754 -3.939 1.00 0.76 C ATOM 0 H THR A 6 5.384 -9.629 -1.809 1.00 0.43 H new ATOM 0 HA THR A 6 4.804 -9.171 -4.631 1.00 0.48 H new ATOM 0 HB THR A 6 3.403 -11.203 -4.381 1.00 0.58 H new ATOM 0 HG1 THR A 6 4.417 -11.428 -1.696 1.00 0.64 H new ATOM 0 HG21 THR A 6 5.201 -12.822 -3.919 1.00 0.76 H new ATOM 0 HG22 THR A 6 5.782 -11.476 -4.929 1.00 0.76 H new ATOM 0 HG23 THR A 6 6.182 -11.525 -3.195 1.00 0.76 H new ATOM 96 N THR A 7 2.057 -9.073 -4.053 1.00 0.56 N ATOM 97 CA THR A 7 0.760 -8.477 -3.844 1.00 0.62 C ATOM 98 C THR A 7 0.153 -9.071 -2.557 1.00 0.64 C ATOM 99 O THR A 7 -0.630 -8.432 -1.865 1.00 0.73 O ATOM 100 CB THR A 7 -0.166 -8.735 -5.064 1.00 0.74 C ATOM 101 OG1 THR A 7 0.508 -8.321 -6.274 1.00 1.34 O ATOM 102 CG2 THR A 7 -1.473 -7.960 -4.942 1.00 1.19 C ATOM 0 H THR A 7 2.074 -9.800 -4.768 1.00 0.56 H new ATOM 0 HA THR A 7 0.862 -7.397 -3.737 1.00 0.62 H new ATOM 0 HB THR A 7 -0.393 -9.801 -5.096 1.00 0.74 H new ATOM 0 HG1 THR A 7 -0.001 -8.628 -7.053 1.00 1.34 H new ATOM 0 HG21 THR A 7 -2.098 -8.162 -5.811 1.00 1.19 H new ATOM 0 HG22 THR A 7 -1.997 -8.270 -4.038 1.00 1.19 H new ATOM 0 HG23 THR A 7 -1.259 -6.892 -4.889 1.00 1.19 H new ATOM 110 N ASP A 8 0.615 -10.268 -2.212 1.00 0.65 N ATOM 111 CA ASP A 8 0.214 -10.963 -0.995 1.00 0.71 C ATOM 112 C ASP A 8 0.809 -10.240 0.201 1.00 0.65 C ATOM 113 O ASP A 8 0.145 -10.025 1.230 1.00 0.69 O ATOM 114 CB ASP A 8 0.690 -12.430 -1.058 1.00 0.86 C ATOM 115 CG ASP A 8 0.527 -13.204 0.241 1.00 1.61 C ATOM 116 OD1 ASP A 8 -0.628 -13.366 0.738 1.00 1.74 O ATOM 117 OD2 ASP A 8 1.556 -13.651 0.797 1.00 2.44 O ATOM 0 H ASP A 8 1.286 -10.789 -2.776 1.00 0.65 H new ATOM 0 HA ASP A 8 -0.872 -10.966 -0.897 1.00 0.71 H new ATOM 0 HB2 ASP A 8 0.137 -12.944 -1.844 1.00 0.86 H new ATOM 0 HB3 ASP A 8 1.741 -12.445 -1.345 1.00 0.86 H new ATOM 122 N ASP A 9 2.044 -9.810 0.031 1.00 0.60 N ATOM 123 CA ASP A 9 2.753 -9.037 1.043 1.00 0.61 C ATOM 124 C ASP A 9 2.107 -7.677 1.208 1.00 0.56 C ATOM 125 O ASP A 9 1.954 -7.179 2.330 1.00 0.62 O ATOM 126 CB ASP A 9 4.229 -8.844 0.683 1.00 0.64 C ATOM 127 CG ASP A 9 5.033 -10.117 0.661 1.00 1.13 C ATOM 128 OD1 ASP A 9 5.411 -10.606 1.736 1.00 1.32 O ATOM 129 OD2 ASP A 9 5.310 -10.633 -0.441 1.00 2.06 O ATOM 0 H ASP A 9 2.589 -9.985 -0.813 1.00 0.60 H new ATOM 0 HA ASP A 9 2.695 -9.598 1.976 1.00 0.61 H new ATOM 0 HB2 ASP A 9 4.293 -8.371 -0.297 1.00 0.64 H new ATOM 0 HB3 ASP A 9 4.679 -8.156 1.399 1.00 0.64 H new ATOM 134 N LEU A 10 1.748 -7.075 0.088 1.00 0.52 N ATOM 135 CA LEU A 10 1.065 -5.786 0.066 1.00 0.51 C ATOM 136 C LEU A 10 -0.282 -5.888 0.786 1.00 0.52 C ATOM 137 O LEU A 10 -0.604 -5.071 1.652 1.00 0.58 O ATOM 138 CB LEU A 10 0.842 -5.342 -1.388 1.00 0.50 C ATOM 139 CG LEU A 10 0.129 -4.002 -1.589 1.00 0.51 C ATOM 140 CD1 LEU A 10 0.959 -2.861 -1.033 1.00 0.60 C ATOM 141 CD2 LEU A 10 -0.187 -3.778 -3.059 1.00 0.56 C ATOM 0 H LEU A 10 1.921 -7.465 -0.838 1.00 0.52 H new ATOM 0 HA LEU A 10 1.685 -5.050 0.579 1.00 0.51 H new ATOM 0 HB2 LEU A 10 1.812 -5.290 -1.882 1.00 0.50 H new ATOM 0 HB3 LEU A 10 0.266 -6.115 -1.897 1.00 0.50 H new ATOM 0 HG LEU A 10 -0.812 -4.031 -1.040 1.00 0.51 H new ATOM 0 HD11 LEU A 10 0.432 -1.919 -1.187 1.00 0.60 H new ATOM 0 HD12 LEU A 10 1.122 -3.015 0.034 1.00 0.60 H new ATOM 0 HD13 LEU A 10 1.920 -2.827 -1.545 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -0.693 -2.820 -3.180 1.00 0.56 H new ATOM 0 HD22 LEU A 10 0.739 -3.774 -3.634 1.00 0.56 H new ATOM 0 HD23 LEU A 10 -0.834 -4.579 -3.418 1.00 0.56 H new ATOM 153 N ARG A 11 -1.036 -6.918 0.431 1.00 0.51 N ATOM 154 CA ARG A 11 -2.357 -7.179 0.980 1.00 0.54 C ATOM 155 C ARG A 11 -2.348 -7.237 2.503 1.00 0.53 C ATOM 156 O ARG A 11 -3.218 -6.662 3.132 1.00 0.57 O ATOM 157 CB ARG A 11 -2.926 -8.468 0.378 1.00 0.60 C ATOM 158 CG ARG A 11 -4.273 -8.912 0.931 1.00 0.82 C ATOM 159 CD ARG A 11 -4.794 -10.112 0.163 1.00 0.98 C ATOM 160 NE ARG A 11 -3.820 -11.217 0.127 1.00 1.50 N ATOM 161 CZ ARG A 11 -3.631 -12.037 -0.920 1.00 2.13 C ATOM 162 NH1 ARG A 11 -4.318 -11.853 -2.043 1.00 2.32 N ATOM 163 NH2 ARG A 11 -2.722 -12.995 -0.861 1.00 3.08 N ATOM 0 H ARG A 11 -0.741 -7.608 -0.260 1.00 0.51 H new ATOM 0 HA ARG A 11 -3.004 -6.345 0.707 1.00 0.54 H new ATOM 0 HB2 ARG A 11 -3.022 -8.333 -0.699 1.00 0.60 H new ATOM 0 HB3 ARG A 11 -2.206 -9.271 0.536 1.00 0.60 H new ATOM 0 HG2 ARG A 11 -4.174 -9.164 1.987 1.00 0.82 H new ATOM 0 HG3 ARG A 11 -4.988 -8.092 0.865 1.00 0.82 H new ATOM 0 HD2 ARG A 11 -5.719 -10.461 0.622 1.00 0.98 H new ATOM 0 HD3 ARG A 11 -5.037 -9.811 -0.856 1.00 0.98 H new ATOM 0 HE ARG A 11 -3.248 -11.370 0.957 1.00 1.50 H new ATOM 0 HH11 ARG A 11 -4.990 -11.088 -2.110 1.00 2.32 H new ATOM 0 HH12 ARG A 11 -4.173 -12.476 -2.837 1.00 2.32 H new ATOM 0 HH21 ARG A 11 -2.160 -13.114 -0.018 1.00 3.08 H new ATOM 0 HH22 ARG A 11 -2.582 -13.615 -1.659 1.00 3.08 H new ATOM 177 N ARG A 12 -1.341 -7.890 3.085 1.00 0.54 N ATOM 178 CA ARG A 12 -1.256 -8.009 4.555 1.00 0.59 C ATOM 179 C ARG A 12 -1.257 -6.664 5.254 1.00 0.61 C ATOM 180 O ARG A 12 -2.035 -6.443 6.173 1.00 0.66 O ATOM 181 CB ARG A 12 -0.042 -8.809 5.007 1.00 0.72 C ATOM 182 CG ARG A 12 -0.147 -10.276 4.741 1.00 0.94 C ATOM 183 CD ARG A 12 1.038 -11.034 5.299 1.00 1.09 C ATOM 184 NE ARG A 12 0.925 -12.441 4.959 1.00 1.71 N ATOM 185 CZ ARG A 12 1.298 -12.942 3.794 1.00 2.06 C ATOM 186 NH1 ARG A 12 2.165 -12.288 3.037 1.00 1.90 N ATOM 187 NH2 ARG A 12 0.883 -14.136 3.416 1.00 3.10 N ATOM 0 H ARG A 12 -0.580 -8.341 2.577 1.00 0.54 H new ATOM 0 HA ARG A 12 -2.158 -8.549 4.844 1.00 0.59 H new ATOM 0 HB2 ARG A 12 0.844 -8.421 4.504 1.00 0.72 H new ATOM 0 HB3 ARG A 12 0.105 -8.654 6.076 1.00 0.72 H new ATOM 0 HG2 ARG A 12 -1.066 -10.661 5.183 1.00 0.94 H new ATOM 0 HG3 ARG A 12 -0.215 -10.447 3.667 1.00 0.94 H new ATOM 0 HD2 ARG A 12 1.965 -10.626 4.896 1.00 1.09 H new ATOM 0 HD3 ARG A 12 1.081 -10.914 6.382 1.00 1.09 H new ATOM 0 HE ARG A 12 0.537 -13.077 5.656 1.00 1.71 H new ATOM 0 HH11 ARG A 12 2.546 -11.396 3.352 1.00 1.90 H new ATOM 0 HH12 ARG A 12 2.452 -12.676 2.138 1.00 1.90 H new ATOM 0 HH21 ARG A 12 0.270 -14.679 4.024 1.00 3.10 H new ATOM 0 HH22 ARG A 12 1.175 -14.516 2.516 1.00 3.10 H new ATOM 201 N ALA A 13 -0.431 -5.756 4.783 1.00 0.66 N ATOM 202 CA ALA A 13 -0.306 -4.448 5.416 1.00 0.77 C ATOM 203 C ALA A 13 -1.554 -3.613 5.201 1.00 0.66 C ATOM 204 O ALA A 13 -1.927 -2.790 6.048 1.00 0.70 O ATOM 205 CB ALA A 13 0.916 -3.731 4.912 1.00 0.95 C ATOM 0 H ALA A 13 0.165 -5.892 3.967 1.00 0.66 H new ATOM 0 HA ALA A 13 -0.193 -4.602 6.489 1.00 0.77 H new ATOM 0 HB1 ALA A 13 0.992 -2.757 5.396 1.00 0.95 H new ATOM 0 HB2 ALA A 13 1.804 -4.320 5.141 1.00 0.95 H new ATOM 0 HB3 ALA A 13 0.839 -3.595 3.833 1.00 0.95 H new ATOM 211 N LEU A 14 -2.214 -3.851 4.089 1.00 0.58 N ATOM 212 CA LEU A 14 -3.436 -3.155 3.774 1.00 0.57 C ATOM 213 C LEU A 14 -4.544 -3.644 4.717 1.00 0.56 C ATOM 214 O LEU A 14 -5.328 -2.852 5.239 1.00 0.77 O ATOM 215 CB LEU A 14 -3.801 -3.381 2.294 1.00 0.59 C ATOM 216 CG LEU A 14 -4.937 -2.521 1.723 1.00 0.69 C ATOM 217 CD1 LEU A 14 -4.599 -1.043 1.840 1.00 1.09 C ATOM 218 CD2 LEU A 14 -5.181 -2.875 0.268 1.00 1.40 C ATOM 0 H LEU A 14 -1.920 -4.527 3.385 1.00 0.58 H new ATOM 0 HA LEU A 14 -3.311 -2.082 3.918 1.00 0.57 H new ATOM 0 HB2 LEU A 14 -2.908 -3.207 1.693 1.00 0.59 H new ATOM 0 HB3 LEU A 14 -4.071 -4.429 2.167 1.00 0.59 H new ATOM 0 HG LEU A 14 -5.841 -2.722 2.298 1.00 0.69 H new ATOM 0 HD11 LEU A 14 -5.416 -0.449 1.430 1.00 1.09 H new ATOM 0 HD12 LEU A 14 -4.454 -0.785 2.889 1.00 1.09 H new ATOM 0 HD13 LEU A 14 -3.685 -0.834 1.285 1.00 1.09 H new ATOM 0 HD21 LEU A 14 -5.989 -2.258 -0.126 1.00 1.40 H new ATOM 0 HD22 LEU A 14 -4.273 -2.695 -0.308 1.00 1.40 H new ATOM 0 HD23 LEU A 14 -5.456 -3.927 0.191 1.00 1.40 H new ATOM 230 N VAL A 15 -4.547 -4.950 4.996 1.00 0.46 N ATOM 231 CA VAL A 15 -5.515 -5.555 5.918 1.00 0.49 C ATOM 232 C VAL A 15 -5.238 -5.109 7.370 1.00 0.52 C ATOM 233 O VAL A 15 -6.142 -5.068 8.207 1.00 0.66 O ATOM 234 CB VAL A 15 -5.558 -7.122 5.804 1.00 0.55 C ATOM 235 CG1 VAL A 15 -6.551 -7.740 6.782 1.00 0.67 C ATOM 236 CG2 VAL A 15 -5.925 -7.539 4.395 1.00 0.59 C ATOM 0 H VAL A 15 -3.885 -5.614 4.594 1.00 0.46 H new ATOM 0 HA VAL A 15 -6.502 -5.195 5.627 1.00 0.49 H new ATOM 0 HB VAL A 15 -4.561 -7.486 6.053 1.00 0.55 H new ATOM 0 HG11 VAL A 15 -6.547 -8.824 6.668 1.00 0.67 H new ATOM 0 HG12 VAL A 15 -6.266 -7.481 7.802 1.00 0.67 H new ATOM 0 HG13 VAL A 15 -7.551 -7.357 6.576 1.00 0.67 H new ATOM 0 HG21 VAL A 15 -5.951 -8.627 4.333 1.00 0.59 H new ATOM 0 HG22 VAL A 15 -6.906 -7.138 4.141 1.00 0.59 H new ATOM 0 HG23 VAL A 15 -5.183 -7.153 3.696 1.00 0.59 H new ATOM 246 N GLU A 16 -4.005 -4.715 7.645 1.00 0.48 N ATOM 247 CA GLU A 16 -3.646 -4.197 8.962 1.00 0.54 C ATOM 248 C GLU A 16 -4.306 -2.849 9.202 1.00 0.51 C ATOM 249 O GLU A 16 -4.646 -2.507 10.330 1.00 0.63 O ATOM 250 CB GLU A 16 -2.129 -4.096 9.142 1.00 0.64 C ATOM 251 CG GLU A 16 -1.434 -5.439 9.153 1.00 0.83 C ATOM 252 CD GLU A 16 0.058 -5.326 9.265 1.00 1.12 C ATOM 253 OE1 GLU A 16 0.716 -5.142 8.249 1.00 1.94 O ATOM 254 OE2 GLU A 16 0.614 -5.468 10.387 1.00 1.14 O ATOM 0 H GLU A 16 -3.235 -4.743 6.977 1.00 0.48 H new ATOM 0 HA GLU A 16 -4.014 -4.905 9.704 1.00 0.54 H new ATOM 0 HB2 GLU A 16 -1.715 -3.488 8.338 1.00 0.64 H new ATOM 0 HB3 GLU A 16 -1.915 -3.577 10.076 1.00 0.64 H new ATOM 0 HG2 GLU A 16 -1.812 -6.031 9.987 1.00 0.83 H new ATOM 0 HG3 GLU A 16 -1.684 -5.979 8.240 1.00 0.83 H new ATOM 261 N SER A 17 -4.493 -2.093 8.144 1.00 0.49 N ATOM 262 CA SER A 17 -5.173 -0.832 8.254 1.00 0.58 C ATOM 263 C SER A 17 -6.689 -1.055 8.087 1.00 0.66 C ATOM 264 O SER A 17 -7.513 -0.361 8.701 1.00 0.98 O ATOM 265 CB SER A 17 -4.642 0.159 7.212 1.00 0.62 C ATOM 266 OG SER A 17 -5.179 1.448 7.425 1.00 1.38 O ATOM 0 H SER A 17 -4.183 -2.332 7.202 1.00 0.49 H new ATOM 0 HA SER A 17 -4.986 -0.404 9.239 1.00 0.58 H new ATOM 0 HB2 SER A 17 -3.554 0.200 7.264 1.00 0.62 H new ATOM 0 HB3 SER A 17 -4.900 -0.186 6.211 1.00 0.62 H new ATOM 0 HG SER A 17 -5.274 1.608 8.387 1.00 1.38 H new ATOM 272 N ALA A 18 -7.048 -2.042 7.276 1.00 0.65 N ATOM 273 CA ALA A 18 -8.437 -2.388 7.044 1.00 0.88 C ATOM 274 C ALA A 18 -9.090 -2.892 8.314 1.00 0.85 C ATOM 275 O ALA A 18 -10.160 -2.426 8.677 1.00 1.04 O ATOM 276 CB ALA A 18 -8.566 -3.419 5.940 1.00 1.13 C ATOM 0 H ALA A 18 -6.383 -2.622 6.763 1.00 0.65 H new ATOM 0 HA ALA A 18 -8.954 -1.482 6.728 1.00 0.88 H new ATOM 0 HB1 ALA A 18 -9.618 -3.659 5.788 1.00 1.13 H new ATOM 0 HB2 ALA A 18 -8.148 -3.018 5.017 1.00 1.13 H new ATOM 0 HB3 ALA A 18 -8.024 -4.322 6.221 1.00 1.13 H new ATOM 282 N GLY A 19 -8.426 -3.817 8.991 1.00 0.79 N ATOM 283 CA GLY A 19 -8.936 -4.378 10.224 1.00 0.97 C ATOM 284 C GLY A 19 -10.143 -5.238 9.970 1.00 1.18 C ATOM 285 O GLY A 19 -10.014 -6.399 9.545 1.00 1.57 O ATOM 0 H GLY A 19 -7.524 -4.195 8.700 1.00 0.79 H new ATOM 0 HA2 GLY A 19 -8.159 -4.971 10.706 1.00 0.97 H new ATOM 0 HA3 GLY A 19 -9.197 -3.574 10.912 1.00 0.97 H new ATOM 289 N GLU A 20 -11.304 -4.667 10.185 1.00 1.43 N ATOM 290 CA GLU A 20 -12.549 -5.332 9.925 1.00 1.75 C ATOM 291 C GLU A 20 -12.753 -5.293 8.408 1.00 1.79 C ATOM 292 O GLU A 20 -13.229 -4.295 7.848 1.00 2.30 O ATOM 293 CB GLU A 20 -13.675 -4.596 10.660 1.00 2.40 C ATOM 294 CG GLU A 20 -14.945 -5.391 10.810 1.00 3.14 C ATOM 295 CD GLU A 20 -14.708 -6.657 11.580 1.00 3.62 C ATOM 296 OE1 GLU A 20 -14.519 -6.607 12.794 1.00 3.97 O ATOM 297 OE2 GLU A 20 -14.672 -7.732 10.977 1.00 4.15 O ATOM 0 H GLU A 20 -11.407 -3.720 10.548 1.00 1.43 H new ATOM 0 HA GLU A 20 -12.549 -6.364 10.277 1.00 1.75 H new ATOM 0 HB2 GLU A 20 -13.320 -4.311 11.650 1.00 2.40 H new ATOM 0 HB3 GLU A 20 -13.900 -3.674 10.124 1.00 2.40 H new ATOM 0 HG2 GLU A 20 -15.696 -4.788 11.320 1.00 3.14 H new ATOM 0 HG3 GLU A 20 -15.345 -5.631 9.825 1.00 3.14 H new ATOM 304 N THR A 21 -12.347 -6.345 7.743 1.00 1.91 N ATOM 305 CA THR A 21 -12.262 -6.344 6.312 1.00 2.43 C ATOM 306 C THR A 21 -13.387 -7.163 5.652 1.00 2.45 C ATOM 307 O THR A 21 -13.165 -8.247 5.102 1.00 3.06 O ATOM 308 CB THR A 21 -10.879 -6.872 5.880 1.00 3.22 C ATOM 309 OG1 THR A 21 -9.874 -6.273 6.721 1.00 3.77 O ATOM 310 CG2 THR A 21 -10.578 -6.499 4.431 1.00 3.83 C ATOM 0 H THR A 21 -12.067 -7.223 8.181 1.00 1.91 H new ATOM 0 HA THR A 21 -12.388 -5.316 5.972 1.00 2.43 H new ATOM 0 HB THR A 21 -10.877 -7.958 5.973 1.00 3.22 H new ATOM 0 HG1 THR A 21 -10.013 -6.556 7.649 1.00 3.77 H new ATOM 0 HG21 THR A 21 -9.597 -6.884 4.153 1.00 3.83 H new ATOM 0 HG22 THR A 21 -11.336 -6.932 3.779 1.00 3.83 H new ATOM 0 HG23 THR A 21 -10.586 -5.414 4.325 1.00 3.83 H new ATOM 318 N ASP A 22 -14.589 -6.680 5.789 1.00 2.17 N ATOM 319 CA ASP A 22 -15.733 -7.251 5.098 1.00 2.48 C ATOM 320 C ASP A 22 -16.378 -6.145 4.324 1.00 2.10 C ATOM 321 O ASP A 22 -16.287 -4.977 4.717 1.00 2.55 O ATOM 322 CB ASP A 22 -16.742 -7.930 6.035 1.00 3.04 C ATOM 323 CG ASP A 22 -17.429 -6.994 6.991 1.00 3.67 C ATOM 324 OD1 ASP A 22 -18.492 -6.433 6.644 1.00 3.96 O ATOM 325 OD2 ASP A 22 -16.928 -6.818 8.119 1.00 4.25 O ATOM 0 H ASP A 22 -14.814 -5.880 6.380 1.00 2.17 H new ATOM 0 HA ASP A 22 -15.385 -8.048 4.441 1.00 2.48 H new ATOM 0 HB2 ASP A 22 -17.498 -8.433 5.432 1.00 3.04 H new ATOM 0 HB3 ASP A 22 -16.226 -8.701 6.608 1.00 3.04 H new ATOM 330 N GLY A 23 -16.935 -6.467 3.198 1.00 1.96 N ATOM 331 CA GLY A 23 -17.449 -5.457 2.305 1.00 2.00 C ATOM 332 C GLY A 23 -16.334 -5.082 1.362 1.00 1.94 C ATOM 333 O GLY A 23 -16.489 -5.080 0.142 1.00 2.20 O ATOM 0 H GLY A 23 -17.049 -7.425 2.868 1.00 1.96 H new ATOM 0 HA2 GLY A 23 -18.309 -5.835 1.752 1.00 2.00 H new ATOM 0 HA3 GLY A 23 -17.788 -4.585 2.865 1.00 2.00 H new ATOM 337 N THR A 24 -15.195 -4.827 1.950 1.00 1.83 N ATOM 338 CA THR A 24 -13.979 -4.569 1.257 1.00 1.80 C ATOM 339 C THR A 24 -13.364 -5.927 0.857 1.00 1.84 C ATOM 340 O THR A 24 -12.498 -6.454 1.560 1.00 1.90 O ATOM 341 CB THR A 24 -13.003 -3.846 2.213 1.00 1.83 C ATOM 342 OG1 THR A 24 -13.718 -2.824 2.949 1.00 1.96 O ATOM 343 CG2 THR A 24 -11.860 -3.194 1.438 1.00 1.85 C ATOM 0 H THR A 24 -15.094 -4.794 2.965 1.00 1.83 H new ATOM 0 HA THR A 24 -14.161 -3.952 0.377 1.00 1.80 H new ATOM 0 HB THR A 24 -12.585 -4.584 2.898 1.00 1.83 H new ATOM 0 HG1 THR A 24 -13.100 -2.366 3.557 1.00 1.96 H new ATOM 0 HG21 THR A 24 -11.188 -2.692 2.134 1.00 1.85 H new ATOM 0 HG22 THR A 24 -11.310 -3.958 0.890 1.00 1.85 H new ATOM 0 HG23 THR A 24 -12.265 -2.465 0.736 1.00 1.85 H new ATOM 351 N ASP A 25 -13.915 -6.551 -0.179 1.00 1.96 N ATOM 352 CA ASP A 25 -13.388 -7.831 -0.659 1.00 2.09 C ATOM 353 C ASP A 25 -12.028 -7.564 -1.262 1.00 1.62 C ATOM 354 O ASP A 25 -11.911 -6.824 -2.248 1.00 1.86 O ATOM 355 CB ASP A 25 -14.327 -8.474 -1.694 1.00 2.69 C ATOM 356 CG ASP A 25 -13.946 -9.911 -2.034 1.00 3.10 C ATOM 357 OD1 ASP A 25 -13.144 -10.138 -2.971 1.00 3.55 O ATOM 358 OD2 ASP A 25 -14.465 -10.853 -1.366 1.00 3.40 O ATOM 0 H ASP A 25 -14.718 -6.199 -0.700 1.00 1.96 H new ATOM 0 HA ASP A 25 -13.310 -8.535 0.169 1.00 2.09 H new ATOM 0 HB2 ASP A 25 -15.347 -8.456 -1.311 1.00 2.69 H new ATOM 0 HB3 ASP A 25 -14.318 -7.876 -2.605 1.00 2.69 H new ATOM 363 N LEU A 26 -11.010 -8.097 -0.644 1.00 1.28 N ATOM 364 CA LEU A 26 -9.654 -7.783 -1.023 1.00 0.95 C ATOM 365 C LEU A 26 -8.857 -9.057 -1.314 1.00 1.02 C ATOM 366 O LEU A 26 -7.695 -9.007 -1.755 1.00 1.36 O ATOM 367 CB LEU A 26 -9.005 -6.998 0.126 1.00 1.16 C ATOM 368 CG LEU A 26 -7.645 -6.376 -0.142 1.00 0.73 C ATOM 369 CD1 LEU A 26 -7.764 -5.255 -1.163 1.00 0.86 C ATOM 370 CD2 LEU A 26 -7.034 -5.876 1.150 1.00 1.05 C ATOM 0 H LEU A 26 -11.092 -8.756 0.130 1.00 1.28 H new ATOM 0 HA LEU A 26 -9.658 -7.185 -1.934 1.00 0.95 H new ATOM 0 HB2 LEU A 26 -9.689 -6.202 0.420 1.00 1.16 H new ATOM 0 HB3 LEU A 26 -8.908 -7.667 0.981 1.00 1.16 H new ATOM 0 HG LEU A 26 -6.985 -7.138 -0.557 1.00 0.73 H new ATOM 0 HD11 LEU A 26 -6.781 -4.821 -1.343 1.00 0.86 H new ATOM 0 HD12 LEU A 26 -8.161 -5.654 -2.097 1.00 0.86 H new ATOM 0 HD13 LEU A 26 -8.436 -4.486 -0.782 1.00 0.86 H new ATOM 0 HD21 LEU A 26 -6.060 -5.433 0.944 1.00 1.05 H new ATOM 0 HD22 LEU A 26 -7.687 -5.126 1.595 1.00 1.05 H new ATOM 0 HD23 LEU A 26 -6.914 -6.709 1.842 1.00 1.05 H new ATOM 382 N SER A 27 -9.462 -10.192 -1.072 1.00 1.03 N ATOM 383 CA SER A 27 -8.793 -11.434 -1.303 1.00 1.23 C ATOM 384 C SER A 27 -8.853 -11.778 -2.794 1.00 1.39 C ATOM 385 O SER A 27 -9.872 -12.267 -3.309 1.00 2.16 O ATOM 386 CB SER A 27 -9.396 -12.546 -0.433 1.00 1.77 C ATOM 387 OG SER A 27 -8.610 -13.728 -0.478 1.00 2.39 O ATOM 0 H SER A 27 -10.414 -10.276 -0.716 1.00 1.03 H new ATOM 0 HA SER A 27 -7.745 -11.341 -1.017 1.00 1.23 H new ATOM 0 HB2 SER A 27 -9.475 -12.200 0.598 1.00 1.77 H new ATOM 0 HB3 SER A 27 -10.407 -12.768 -0.774 1.00 1.77 H new ATOM 0 HG SER A 27 -9.020 -14.415 0.087 1.00 2.39 H new ATOM 393 N GLY A 28 -7.809 -11.423 -3.488 1.00 1.32 N ATOM 394 CA GLY A 28 -7.694 -11.688 -4.879 1.00 1.62 C ATOM 395 C GLY A 28 -6.645 -10.810 -5.473 1.00 1.42 C ATOM 396 O GLY A 28 -5.642 -10.511 -4.806 1.00 1.77 O ATOM 0 H GLY A 28 -7.007 -10.935 -3.090 1.00 1.32 H new ATOM 0 HA2 GLY A 28 -7.439 -12.735 -5.040 1.00 1.62 H new ATOM 0 HA3 GLY A 28 -8.650 -11.514 -5.373 1.00 1.62 H new ATOM 400 N ASP A 29 -6.879 -10.355 -6.669 1.00 1.39 N ATOM 401 CA ASP A 29 -5.947 -9.492 -7.357 1.00 1.21 C ATOM 402 C ASP A 29 -6.591 -8.135 -7.494 1.00 0.96 C ATOM 403 O ASP A 29 -7.617 -7.986 -8.153 1.00 1.17 O ATOM 404 CB ASP A 29 -5.568 -10.057 -8.719 1.00 1.44 C ATOM 405 CG ASP A 29 -4.525 -9.219 -9.411 1.00 1.84 C ATOM 406 OD1 ASP A 29 -3.335 -9.383 -9.124 1.00 2.28 O ATOM 407 OD2 ASP A 29 -4.882 -8.369 -10.245 1.00 2.30 O ATOM 0 H ASP A 29 -7.722 -10.569 -7.202 1.00 1.39 H new ATOM 0 HA ASP A 29 -5.022 -9.415 -6.785 1.00 1.21 H new ATOM 0 HB2 ASP A 29 -5.193 -11.073 -8.598 1.00 1.44 H new ATOM 0 HB3 ASP A 29 -6.458 -10.118 -9.346 1.00 1.44 H new ATOM 412 N PHE A 30 -6.009 -7.161 -6.860 1.00 0.73 N ATOM 413 CA PHE A 30 -6.632 -5.854 -6.739 1.00 0.56 C ATOM 414 C PHE A 30 -5.736 -4.722 -7.229 1.00 0.46 C ATOM 415 O PHE A 30 -5.951 -3.575 -6.890 1.00 0.43 O ATOM 416 CB PHE A 30 -7.027 -5.631 -5.260 1.00 0.53 C ATOM 417 CG PHE A 30 -5.889 -5.813 -4.264 1.00 0.55 C ATOM 418 CD1 PHE A 30 -5.625 -7.052 -3.700 1.00 0.74 C ATOM 419 CD2 PHE A 30 -5.087 -4.736 -3.903 1.00 0.55 C ATOM 420 CE1 PHE A 30 -4.590 -7.216 -2.800 1.00 0.89 C ATOM 421 CE2 PHE A 30 -4.052 -4.896 -3.004 1.00 0.68 C ATOM 422 CZ PHE A 30 -3.815 -6.150 -2.440 1.00 0.83 C ATOM 0 H PHE A 30 -5.096 -7.237 -6.411 1.00 0.73 H new ATOM 0 HA PHE A 30 -7.515 -5.839 -7.378 1.00 0.56 H new ATOM 0 HB2 PHE A 30 -7.428 -4.623 -5.153 1.00 0.53 H new ATOM 0 HB3 PHE A 30 -7.830 -6.322 -5.004 1.00 0.53 H new ATOM 0 HD1 PHE A 30 -6.237 -7.900 -3.968 1.00 0.74 H new ATOM 0 HD2 PHE A 30 -5.276 -3.763 -4.331 1.00 0.55 H new ATOM 0 HE1 PHE A 30 -4.393 -8.191 -2.379 1.00 0.89 H new ATOM 0 HE2 PHE A 30 -3.429 -4.055 -2.738 1.00 0.68 H new ATOM 0 HZ PHE A 30 -3.020 -6.278 -1.720 1.00 0.83 H new ATOM 432 N LEU A 31 -4.784 -5.022 -8.072 1.00 0.49 N ATOM 433 CA LEU A 31 -3.837 -3.992 -8.512 1.00 0.49 C ATOM 434 C LEU A 31 -4.445 -3.031 -9.534 1.00 0.49 C ATOM 435 O LEU A 31 -3.961 -1.915 -9.709 1.00 0.58 O ATOM 436 CB LEU A 31 -2.557 -4.621 -9.061 1.00 0.59 C ATOM 437 CG LEU A 31 -1.741 -5.448 -8.068 1.00 0.86 C ATOM 438 CD1 LEU A 31 -0.512 -6.014 -8.741 1.00 1.08 C ATOM 439 CD2 LEU A 31 -1.343 -4.607 -6.861 1.00 1.85 C ATOM 0 H LEU A 31 -4.632 -5.949 -8.470 1.00 0.49 H new ATOM 0 HA LEU A 31 -3.587 -3.403 -7.629 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -2.821 -5.259 -9.905 1.00 0.59 H new ATOM 0 HB3 LEU A 31 -1.922 -3.825 -9.450 1.00 0.59 H new ATOM 0 HG LEU A 31 -2.362 -6.273 -7.720 1.00 0.86 H new ATOM 0 HD11 LEU A 31 0.059 -6.601 -8.021 1.00 1.08 H new ATOM 0 HD12 LEU A 31 -0.813 -6.652 -9.572 1.00 1.08 H new ATOM 0 HD13 LEU A 31 0.106 -5.198 -9.116 1.00 1.08 H new ATOM 0 HD21 LEU A 31 -0.763 -5.217 -6.168 1.00 1.85 H new ATOM 0 HD22 LEU A 31 -0.741 -3.760 -7.190 1.00 1.85 H new ATOM 0 HD23 LEU A 31 -2.240 -4.242 -6.360 1.00 1.85 H new ATOM 451 N ASP A 32 -5.521 -3.458 -10.155 1.00 0.49 N ATOM 452 CA ASP A 32 -6.178 -2.700 -11.222 1.00 0.67 C ATOM 453 C ASP A 32 -7.244 -1.747 -10.704 1.00 0.57 C ATOM 454 O ASP A 32 -7.700 -0.862 -11.447 1.00 0.74 O ATOM 455 CB ASP A 32 -6.812 -3.654 -12.240 1.00 0.94 C ATOM 456 CG ASP A 32 -7.844 -4.569 -11.615 1.00 1.76 C ATOM 457 OD1 ASP A 32 -7.450 -5.560 -10.946 1.00 2.55 O ATOM 458 OD2 ASP A 32 -9.045 -4.331 -11.769 1.00 2.27 O ATOM 0 H ASP A 32 -5.976 -4.345 -9.940 1.00 0.49 H new ATOM 0 HA ASP A 32 -5.400 -2.100 -11.695 1.00 0.67 H new ATOM 0 HB2 ASP A 32 -7.280 -3.073 -13.034 1.00 0.94 H new ATOM 0 HB3 ASP A 32 -6.031 -4.256 -12.704 1.00 0.94 H new ATOM 463 N LEU A 33 -7.641 -1.900 -9.461 1.00 0.51 N ATOM 464 CA LEU A 33 -8.688 -1.058 -8.916 1.00 0.60 C ATOM 465 C LEU A 33 -8.130 0.199 -8.279 1.00 0.50 C ATOM 466 O LEU A 33 -6.918 0.367 -8.163 1.00 0.60 O ATOM 467 CB LEU A 33 -9.651 -1.844 -7.973 1.00 0.85 C ATOM 468 CG LEU A 33 -9.055 -2.667 -6.805 1.00 0.69 C ATOM 469 CD1 LEU A 33 -8.473 -1.789 -5.704 1.00 1.35 C ATOM 470 CD2 LEU A 33 -10.104 -3.606 -6.236 1.00 1.12 C ATOM 0 H LEU A 33 -7.262 -2.590 -8.813 1.00 0.51 H new ATOM 0 HA LEU A 33 -9.300 -0.728 -9.755 1.00 0.60 H new ATOM 0 HB2 LEU A 33 -10.351 -1.126 -7.546 1.00 0.85 H new ATOM 0 HB3 LEU A 33 -10.233 -2.526 -8.592 1.00 0.85 H new ATOM 0 HG LEU A 33 -8.229 -3.250 -7.213 1.00 0.69 H new ATOM 0 HD11 LEU A 33 -8.069 -2.419 -4.911 1.00 1.35 H new ATOM 0 HD12 LEU A 33 -7.677 -1.169 -6.116 1.00 1.35 H new ATOM 0 HD13 LEU A 33 -9.256 -1.150 -5.296 1.00 1.35 H new ATOM 0 HD21 LEU A 33 -9.673 -4.179 -5.415 1.00 1.12 H new ATOM 0 HD22 LEU A 33 -10.950 -3.026 -5.868 1.00 1.12 H new ATOM 0 HD23 LEU A 33 -10.443 -4.288 -7.016 1.00 1.12 H new ATOM 482 N ARG A 34 -9.000 1.077 -7.898 1.00 0.50 N ATOM 483 CA ARG A 34 -8.627 2.293 -7.251 1.00 0.51 C ATOM 484 C ARG A 34 -8.926 2.166 -5.788 1.00 0.47 C ATOM 485 O ARG A 34 -9.713 1.304 -5.381 1.00 0.58 O ATOM 486 CB ARG A 34 -9.431 3.453 -7.835 1.00 0.67 C ATOM 487 CG ARG A 34 -9.089 3.785 -9.269 1.00 0.85 C ATOM 488 CD ARG A 34 -7.712 4.405 -9.381 1.00 0.93 C ATOM 489 NE ARG A 34 -7.653 5.701 -8.701 1.00 1.72 N ATOM 490 CZ ARG A 34 -7.328 6.853 -9.291 1.00 2.04 C ATOM 491 NH1 ARG A 34 -6.842 6.858 -10.538 1.00 1.66 N ATOM 492 NH2 ARG A 34 -7.461 7.994 -8.622 1.00 3.07 N ATOM 0 H ARG A 34 -10.006 0.968 -8.030 1.00 0.50 H new ATOM 0 HA ARG A 34 -7.565 2.484 -7.402 1.00 0.51 H new ATOM 0 HB2 ARG A 34 -10.492 3.212 -7.773 1.00 0.67 H new ATOM 0 HB3 ARG A 34 -9.269 4.338 -7.220 1.00 0.67 H new ATOM 0 HG2 ARG A 34 -9.132 2.879 -9.874 1.00 0.85 H new ATOM 0 HG3 ARG A 34 -9.833 4.472 -9.672 1.00 0.85 H new ATOM 0 HD2 ARG A 34 -6.972 3.732 -8.949 1.00 0.93 H new ATOM 0 HD3 ARG A 34 -7.453 4.532 -10.432 1.00 0.93 H new ATOM 0 HE ARG A 34 -7.876 5.725 -7.706 1.00 1.72 H new ATOM 0 HH11 ARG A 34 -6.719 5.979 -11.041 1.00 1.66 H new ATOM 0 HH12 ARG A 34 -6.595 7.741 -10.985 1.00 1.66 H new ATOM 0 HH21 ARG A 34 -7.810 7.986 -7.663 1.00 3.07 H new ATOM 0 HH22 ARG A 34 -7.214 8.878 -9.067 1.00 3.07 H new ATOM 506 N PHE A 35 -8.350 3.025 -4.989 1.00 0.42 N ATOM 507 CA PHE A 35 -8.639 3.016 -3.573 1.00 0.42 C ATOM 508 C PHE A 35 -10.031 3.563 -3.338 1.00 0.53 C ATOM 509 O PHE A 35 -10.652 3.302 -2.315 1.00 0.61 O ATOM 510 CB PHE A 35 -7.585 3.773 -2.778 1.00 0.41 C ATOM 511 CG PHE A 35 -6.239 3.115 -2.825 1.00 0.39 C ATOM 512 CD1 PHE A 35 -6.026 1.913 -2.167 1.00 0.43 C ATOM 513 CD2 PHE A 35 -5.198 3.677 -3.533 1.00 0.44 C ATOM 514 CE1 PHE A 35 -4.795 1.294 -2.208 1.00 0.51 C ATOM 515 CE2 PHE A 35 -3.965 3.061 -3.578 1.00 0.51 C ATOM 516 CZ PHE A 35 -3.763 1.868 -2.915 1.00 0.53 C ATOM 0 H PHE A 35 -7.682 3.736 -5.288 1.00 0.42 H new ATOM 0 HA PHE A 35 -8.607 1.987 -3.214 1.00 0.42 H new ATOM 0 HB2 PHE A 35 -7.502 4.788 -3.167 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.908 3.855 -1.740 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -6.835 1.456 -1.616 1.00 0.43 H new ATOM 0 HD2 PHE A 35 -5.350 4.609 -4.058 1.00 0.44 H new ATOM 0 HE1 PHE A 35 -4.641 0.361 -1.687 1.00 0.51 H new ATOM 0 HE2 PHE A 35 -3.156 3.513 -4.133 1.00 0.51 H new ATOM 0 HZ PHE A 35 -2.797 1.386 -2.951 1.00 0.53 H new ATOM 526 N GLU A 36 -10.514 4.283 -4.337 1.00 0.64 N ATOM 527 CA GLU A 36 -11.864 4.800 -4.389 1.00 0.83 C ATOM 528 C GLU A 36 -12.851 3.618 -4.306 1.00 0.92 C ATOM 529 O GLU A 36 -13.814 3.652 -3.552 1.00 1.05 O ATOM 530 CB GLU A 36 -12.054 5.540 -5.731 1.00 1.00 C ATOM 531 CG GLU A 36 -13.369 6.287 -5.884 1.00 1.56 C ATOM 532 CD GLU A 36 -13.479 7.476 -4.962 1.00 2.05 C ATOM 533 OE1 GLU A 36 -13.835 7.299 -3.770 1.00 2.77 O ATOM 534 OE2 GLU A 36 -13.216 8.611 -5.409 1.00 2.39 O ATOM 0 H GLU A 36 -9.958 4.529 -5.156 1.00 0.64 H new ATOM 0 HA GLU A 36 -12.045 5.485 -3.561 1.00 0.83 H new ATOM 0 HB2 GLU A 36 -11.236 6.250 -5.854 1.00 1.00 H new ATOM 0 HB3 GLU A 36 -11.971 4.815 -6.541 1.00 1.00 H new ATOM 0 HG2 GLU A 36 -13.472 6.623 -6.916 1.00 1.56 H new ATOM 0 HG3 GLU A 36 -14.195 5.603 -5.687 1.00 1.56 H new ATOM 541 N ASP A 37 -12.538 2.545 -5.047 1.00 0.92 N ATOM 542 CA ASP A 37 -13.386 1.340 -5.118 1.00 1.07 C ATOM 543 C ASP A 37 -13.475 0.654 -3.777 1.00 1.02 C ATOM 544 O ASP A 37 -14.507 0.097 -3.418 1.00 1.20 O ATOM 545 CB ASP A 37 -12.843 0.313 -6.134 1.00 1.17 C ATOM 546 CG ASP A 37 -12.828 0.792 -7.560 1.00 1.39 C ATOM 547 OD1 ASP A 37 -13.854 0.673 -8.245 1.00 1.64 O ATOM 548 OD2 ASP A 37 -11.791 1.319 -8.016 1.00 1.99 O ATOM 0 H ASP A 37 -11.692 2.485 -5.614 1.00 0.92 H new ATOM 0 HA ASP A 37 -14.371 1.684 -5.434 1.00 1.07 H new ATOM 0 HB2 ASP A 37 -11.828 0.038 -5.846 1.00 1.17 H new ATOM 0 HB3 ASP A 37 -13.448 -0.592 -6.075 1.00 1.17 H new ATOM 553 N ILE A 38 -12.396 0.705 -3.028 1.00 0.85 N ATOM 554 CA ILE A 38 -12.337 0.018 -1.755 1.00 0.88 C ATOM 555 C ILE A 38 -12.508 0.946 -0.558 1.00 0.84 C ATOM 556 O ILE A 38 -12.287 0.552 0.589 1.00 0.91 O ATOM 557 CB ILE A 38 -11.086 -0.878 -1.616 1.00 0.85 C ATOM 558 CG1 ILE A 38 -9.800 -0.078 -1.912 1.00 0.66 C ATOM 559 CG2 ILE A 38 -11.217 -2.069 -2.551 1.00 0.97 C ATOM 560 CD1 ILE A 38 -8.515 -0.876 -1.766 1.00 0.68 C ATOM 0 H ILE A 38 -11.548 1.214 -3.277 1.00 0.85 H new ATOM 0 HA ILE A 38 -13.202 -0.645 -1.750 1.00 0.88 H new ATOM 0 HB ILE A 38 -11.014 -1.238 -0.590 1.00 0.85 H new ATOM 0 HG12 ILE A 38 -9.856 0.314 -2.928 1.00 0.66 H new ATOM 0 HG13 ILE A 38 -9.758 0.780 -1.241 1.00 0.66 H new ATOM 0 HG21 ILE A 38 -10.336 -2.704 -2.456 1.00 0.97 H new ATOM 0 HG22 ILE A 38 -12.107 -2.641 -2.289 1.00 0.97 H new ATOM 0 HG23 ILE A 38 -11.302 -1.717 -3.579 1.00 0.97 H new ATOM 0 HD11 ILE A 38 -7.662 -0.237 -1.992 1.00 0.68 H new ATOM 0 HD12 ILE A 38 -8.430 -1.246 -0.744 1.00 0.68 H new ATOM 0 HD13 ILE A 38 -8.530 -1.719 -2.457 1.00 0.68 H new ATOM 572 N GLY A 39 -12.988 2.136 -0.833 1.00 0.81 N ATOM 573 CA GLY A 39 -13.311 3.104 0.212 1.00 0.82 C ATOM 574 C GLY A 39 -12.120 3.587 1.038 1.00 0.71 C ATOM 575 O GLY A 39 -12.241 3.780 2.255 1.00 0.82 O ATOM 0 H GLY A 39 -13.168 2.468 -1.780 1.00 0.81 H new ATOM 0 HA2 GLY A 39 -13.788 3.969 -0.250 1.00 0.82 H new ATOM 0 HA3 GLY A 39 -14.043 2.658 0.885 1.00 0.82 H new ATOM 579 N TYR A 40 -10.992 3.765 0.398 1.00 0.56 N ATOM 580 CA TYR A 40 -9.813 4.296 1.052 1.00 0.48 C ATOM 581 C TYR A 40 -9.615 5.731 0.642 1.00 0.43 C ATOM 582 O TYR A 40 -9.652 6.052 -0.545 1.00 0.50 O ATOM 583 CB TYR A 40 -8.560 3.479 0.729 1.00 0.51 C ATOM 584 CG TYR A 40 -8.409 2.194 1.511 1.00 0.52 C ATOM 585 CD1 TYR A 40 -9.223 1.105 1.275 1.00 0.67 C ATOM 586 CD2 TYR A 40 -7.430 2.077 2.485 1.00 0.60 C ATOM 587 CE1 TYR A 40 -9.070 -0.069 1.982 1.00 0.83 C ATOM 588 CE2 TYR A 40 -7.263 0.910 3.192 1.00 0.79 C ATOM 589 CZ TYR A 40 -8.087 -0.162 2.936 1.00 0.88 C ATOM 590 OH TYR A 40 -7.925 -1.331 3.626 1.00 1.13 O ATOM 0 H TYR A 40 -10.861 3.548 -0.590 1.00 0.56 H new ATOM 0 HA TYR A 40 -9.970 4.235 2.129 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -8.566 3.240 -0.334 1.00 0.51 H new ATOM 0 HB3 TYR A 40 -7.684 4.101 0.911 1.00 0.51 H new ATOM 0 HD1 TYR A 40 -9.994 1.173 0.522 1.00 0.67 H new ATOM 0 HD2 TYR A 40 -6.786 2.919 2.693 1.00 0.60 H new ATOM 0 HE1 TYR A 40 -9.719 -0.910 1.787 1.00 0.83 H new ATOM 0 HE2 TYR A 40 -6.491 0.835 3.943 1.00 0.79 H new ATOM 0 HH TYR A 40 -8.408 -2.051 3.168 1.00 1.13 H new ATOM 600 N ASP A 41 -9.425 6.584 1.615 1.00 0.49 N ATOM 601 CA ASP A 41 -9.278 8.013 1.375 1.00 0.54 C ATOM 602 C ASP A 41 -7.811 8.401 1.263 1.00 0.52 C ATOM 603 O ASP A 41 -7.316 8.695 0.171 1.00 0.88 O ATOM 604 CB ASP A 41 -9.908 8.842 2.507 1.00 0.71 C ATOM 605 CG ASP A 41 -11.347 8.502 2.819 1.00 1.05 C ATOM 606 OD1 ASP A 41 -12.249 9.096 2.189 1.00 1.48 O ATOM 607 OD2 ASP A 41 -11.609 7.585 3.620 1.00 1.35 O ATOM 0 H ASP A 41 -9.367 6.317 2.598 1.00 0.49 H new ATOM 0 HA ASP A 41 -9.792 8.225 0.438 1.00 0.54 H new ATOM 0 HB2 ASP A 41 -9.314 8.707 3.411 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -9.849 9.897 2.241 1.00 0.71 H new ATOM 612 N SER A 42 -7.103 8.371 2.392 1.00 0.39 N ATOM 613 CA SER A 42 -5.717 8.815 2.435 1.00 0.48 C ATOM 614 C SER A 42 -5.072 8.402 3.754 1.00 0.42 C ATOM 615 O SER A 42 -4.021 7.778 3.778 1.00 0.43 O ATOM 616 CB SER A 42 -5.674 10.339 2.305 1.00 0.71 C ATOM 617 OG SER A 42 -4.307 10.816 2.280 1.00 0.98 O ATOM 0 H SER A 42 -7.469 8.044 3.286 1.00 0.39 H new ATOM 0 HA SER A 42 -5.168 8.355 1.613 1.00 0.48 H new ATOM 0 HB2 SER A 42 -6.187 10.645 1.393 1.00 0.71 H new ATOM 0 HB3 SER A 42 -6.207 10.795 3.139 1.00 0.71 H new ATOM 622 N LEU A 43 -5.750 8.719 4.837 1.00 0.46 N ATOM 623 CA LEU A 43 -5.277 8.473 6.199 1.00 0.52 C ATOM 624 C LEU A 43 -4.989 6.994 6.431 1.00 0.45 C ATOM 625 O LEU A 43 -3.950 6.627 6.981 1.00 0.53 O ATOM 626 CB LEU A 43 -6.322 8.990 7.187 1.00 0.66 C ATOM 627 CG LEU A 43 -6.670 10.474 7.036 1.00 0.83 C ATOM 628 CD1 LEU A 43 -7.819 10.856 7.920 1.00 1.02 C ATOM 629 CD2 LEU A 43 -5.475 11.337 7.360 1.00 0.97 C ATOM 0 H LEU A 43 -6.667 9.165 4.803 1.00 0.46 H new ATOM 0 HA LEU A 43 -4.338 9.005 6.351 1.00 0.52 H new ATOM 0 HB2 LEU A 43 -7.233 8.404 7.070 1.00 0.66 H new ATOM 0 HB3 LEU A 43 -5.960 8.817 8.201 1.00 0.66 H new ATOM 0 HG LEU A 43 -6.960 10.637 5.998 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -8.042 11.915 7.790 1.00 1.02 H new ATOM 0 HD12 LEU A 43 -8.695 10.265 7.653 1.00 1.02 H new ATOM 0 HD13 LEU A 43 -7.556 10.666 8.961 1.00 1.02 H new ATOM 0 HD21 LEU A 43 -5.743 12.387 7.247 1.00 0.97 H new ATOM 0 HD22 LEU A 43 -5.160 11.152 8.387 1.00 0.97 H new ATOM 0 HD23 LEU A 43 -4.657 11.096 6.681 1.00 0.97 H new ATOM 641 N ALA A 44 -5.883 6.155 5.941 1.00 0.40 N ATOM 642 CA ALA A 44 -5.739 4.716 6.050 1.00 0.39 C ATOM 643 C ALA A 44 -4.576 4.244 5.193 1.00 0.34 C ATOM 644 O ALA A 44 -3.863 3.320 5.543 1.00 0.38 O ATOM 645 CB ALA A 44 -7.024 4.022 5.634 1.00 0.43 C ATOM 0 H ALA A 44 -6.730 6.453 5.456 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.534 4.460 7.090 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -6.899 2.943 5.721 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.839 4.347 6.281 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.257 4.278 4.600 1.00 0.43 H new ATOM 651 N LEU A 45 -4.353 4.932 4.097 1.00 0.31 N ATOM 652 CA LEU A 45 -3.276 4.588 3.191 1.00 0.30 C ATOM 653 C LEU A 45 -1.933 4.922 3.824 1.00 0.29 C ATOM 654 O LEU A 45 -0.955 4.200 3.636 1.00 0.30 O ATOM 655 CB LEU A 45 -3.449 5.301 1.849 1.00 0.32 C ATOM 656 CG LEU A 45 -4.699 4.917 1.061 1.00 0.33 C ATOM 657 CD1 LEU A 45 -4.814 5.741 -0.208 1.00 0.34 C ATOM 658 CD2 LEU A 45 -4.663 3.440 0.727 1.00 0.36 C ATOM 0 H LEU A 45 -4.906 5.739 3.808 1.00 0.31 H new ATOM 0 HA LEU A 45 -3.306 3.515 3.001 1.00 0.30 H new ATOM 0 HB2 LEU A 45 -3.469 6.376 2.028 1.00 0.32 H new ATOM 0 HB3 LEU A 45 -2.574 5.096 1.232 1.00 0.32 H new ATOM 0 HG LEU A 45 -5.574 5.123 1.678 1.00 0.33 H new ATOM 0 HD11 LEU A 45 -5.712 5.449 -0.752 1.00 0.34 H new ATOM 0 HD12 LEU A 45 -4.873 6.799 0.049 1.00 0.34 H new ATOM 0 HD13 LEU A 45 -3.939 5.569 -0.834 1.00 0.34 H new ATOM 0 HD21 LEU A 45 -5.558 3.172 0.165 1.00 0.36 H new ATOM 0 HD22 LEU A 45 -3.779 3.224 0.127 1.00 0.36 H new ATOM 0 HD23 LEU A 45 -4.626 2.859 1.649 1.00 0.36 H new ATOM 670 N MET A 46 -1.903 6.004 4.606 1.00 0.30 N ATOM 671 CA MET A 46 -0.692 6.397 5.328 1.00 0.31 C ATOM 672 C MET A 46 -0.376 5.333 6.359 1.00 0.33 C ATOM 673 O MET A 46 0.763 4.913 6.500 1.00 0.37 O ATOM 674 CB MET A 46 -0.851 7.739 6.052 1.00 0.37 C ATOM 675 CG MET A 46 -1.268 8.935 5.202 1.00 0.40 C ATOM 676 SD MET A 46 -1.373 10.446 6.195 1.00 0.54 S ATOM 677 CE MET A 46 -2.352 9.867 7.579 1.00 1.67 C ATOM 0 H MET A 46 -2.701 6.621 4.755 1.00 0.30 H new ATOM 0 HA MET A 46 0.109 6.503 4.597 1.00 0.31 H new ATOM 0 HB2 MET A 46 -1.589 7.612 6.844 1.00 0.37 H new ATOM 0 HB3 MET A 46 0.097 7.979 6.534 1.00 0.37 H new ATOM 0 HG2 MET A 46 -0.550 9.078 4.394 1.00 0.40 H new ATOM 0 HG3 MET A 46 -2.234 8.735 4.738 1.00 0.40 H new ATOM 0 HE1 MET A 46 -2.914 10.700 8.001 1.00 1.67 H new ATOM 0 HE2 MET A 46 -3.045 9.097 7.238 1.00 1.67 H new ATOM 0 HE3 MET A 46 -1.694 9.451 8.341 1.00 1.67 H new ATOM 687 N GLU A 47 -1.415 4.877 7.052 1.00 0.36 N ATOM 688 CA GLU A 47 -1.287 3.827 8.052 1.00 0.42 C ATOM 689 C GLU A 47 -0.816 2.523 7.399 1.00 0.43 C ATOM 690 O GLU A 47 0.027 1.804 7.951 1.00 0.52 O ATOM 691 CB GLU A 47 -2.615 3.639 8.783 1.00 0.45 C ATOM 692 CG GLU A 47 -2.606 2.552 9.836 1.00 0.62 C ATOM 693 CD GLU A 47 -3.894 2.500 10.596 1.00 1.07 C ATOM 694 OE1 GLU A 47 -4.880 1.952 10.057 1.00 1.97 O ATOM 695 OE2 GLU A 47 -3.938 2.976 11.756 1.00 1.29 O ATOM 0 H GLU A 47 -2.367 5.225 6.935 1.00 0.36 H new ATOM 0 HA GLU A 47 -0.536 4.119 8.786 1.00 0.42 H new ATOM 0 HB2 GLU A 47 -2.891 4.582 9.255 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.389 3.410 8.050 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -2.426 1.588 9.361 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -1.782 2.725 10.529 1.00 0.62 H new ATOM 702 N THR A 48 -1.349 2.246 6.219 1.00 0.39 N ATOM 703 CA THR A 48 -0.932 1.107 5.424 1.00 0.44 C ATOM 704 C THR A 48 0.577 1.232 5.139 1.00 0.45 C ATOM 705 O THR A 48 1.353 0.305 5.410 1.00 0.56 O ATOM 706 CB THR A 48 -1.720 1.076 4.088 1.00 0.44 C ATOM 707 OG1 THR A 48 -3.136 1.018 4.358 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.319 -0.130 3.247 1.00 0.53 C ATOM 0 H THR A 48 -2.084 2.807 5.787 1.00 0.39 H new ATOM 0 HA THR A 48 -1.133 0.184 5.967 1.00 0.44 H new ATOM 0 HB THR A 48 -1.485 1.984 3.533 1.00 0.44 H new ATOM 0 HG1 THR A 48 -3.460 1.911 4.597 1.00 0.49 H new ATOM 0 HG21 THR A 48 -1.886 -0.129 2.316 1.00 0.53 H new ATOM 0 HG22 THR A 48 -0.253 -0.080 3.023 1.00 0.53 H new ATOM 0 HG23 THR A 48 -1.531 -1.045 3.799 1.00 0.53 H new ATOM 716 N ALA A 49 0.980 2.397 4.625 1.00 0.37 N ATOM 717 CA ALA A 49 2.370 2.686 4.322 1.00 0.38 C ATOM 718 C ALA A 49 3.255 2.559 5.562 1.00 0.43 C ATOM 719 O ALA A 49 4.339 2.025 5.475 1.00 0.45 O ATOM 720 CB ALA A 49 2.513 4.061 3.688 1.00 0.36 C ATOM 0 H ALA A 49 0.343 3.164 4.409 1.00 0.37 H new ATOM 0 HA ALA A 49 2.710 1.943 3.601 1.00 0.38 H new ATOM 0 HB1 ALA A 49 3.564 4.254 3.470 1.00 0.36 H new ATOM 0 HB2 ALA A 49 1.938 4.096 2.762 1.00 0.36 H new ATOM 0 HB3 ALA A 49 2.140 4.820 4.376 1.00 0.36 H new ATOM 726 N ALA A 50 2.764 3.020 6.711 1.00 0.47 N ATOM 727 CA ALA A 50 3.497 2.914 7.982 1.00 0.57 C ATOM 728 C ALA A 50 3.793 1.448 8.324 1.00 0.62 C ATOM 729 O ALA A 50 4.910 1.103 8.751 1.00 0.68 O ATOM 730 CB ALA A 50 2.708 3.570 9.104 1.00 0.65 C ATOM 0 H ALA A 50 1.855 3.475 6.793 1.00 0.47 H new ATOM 0 HA ALA A 50 4.448 3.435 7.870 1.00 0.57 H new ATOM 0 HB1 ALA A 50 3.263 3.483 10.038 1.00 0.65 H new ATOM 0 HB2 ALA A 50 2.551 4.623 8.871 1.00 0.65 H new ATOM 0 HB3 ALA A 50 1.743 3.074 9.208 1.00 0.65 H new ATOM 736 N ARG A 51 2.797 0.590 8.115 1.00 0.65 N ATOM 737 CA ARG A 51 2.945 -0.855 8.321 1.00 0.76 C ATOM 738 C ARG A 51 3.978 -1.416 7.362 1.00 0.64 C ATOM 739 O ARG A 51 4.872 -2.194 7.747 1.00 0.62 O ATOM 740 CB ARG A 51 1.595 -1.565 8.120 1.00 0.95 C ATOM 741 CG ARG A 51 0.572 -1.331 9.230 1.00 1.23 C ATOM 742 CD ARG A 51 0.895 -2.146 10.486 1.00 0.90 C ATOM 743 NE ARG A 51 2.213 -1.846 11.064 1.00 1.76 N ATOM 744 CZ ARG A 51 3.171 -2.756 11.294 1.00 2.17 C ATOM 745 NH1 ARG A 51 2.968 -4.038 10.990 1.00 2.08 N ATOM 746 NH2 ARG A 51 4.325 -2.384 11.824 1.00 3.21 N ATOM 0 H ARG A 51 1.869 0.871 7.800 1.00 0.65 H new ATOM 0 HA ARG A 51 3.282 -1.029 9.343 1.00 0.76 H new ATOM 0 HB2 ARG A 51 1.165 -1.235 7.174 1.00 0.95 H new ATOM 0 HB3 ARG A 51 1.774 -2.636 8.032 1.00 0.95 H new ATOM 0 HG2 ARG A 51 0.546 -0.271 9.482 1.00 1.23 H new ATOM 0 HG3 ARG A 51 -0.422 -1.598 8.870 1.00 1.23 H new ATOM 0 HD2 ARG A 51 0.128 -1.958 11.237 1.00 0.90 H new ATOM 0 HD3 ARG A 51 0.849 -3.207 10.241 1.00 0.90 H new ATOM 0 HE ARG A 51 2.413 -0.876 11.308 1.00 1.76 H new ATOM 0 HH11 ARG A 51 2.081 -4.331 10.580 1.00 2.08 H new ATOM 0 HH12 ARG A 51 3.700 -4.726 11.167 1.00 2.08 H new ATOM 0 HH21 ARG A 51 4.487 -1.404 12.058 1.00 3.21 H new ATOM 0 HH22 ARG A 51 5.053 -3.077 11.999 1.00 3.21 H new ATOM 760 N LEU A 52 3.859 -1.000 6.126 1.00 0.60 N ATOM 761 CA LEU A 52 4.773 -1.373 5.066 1.00 0.55 C ATOM 762 C LEU A 52 6.204 -0.944 5.392 1.00 0.46 C ATOM 763 O LEU A 52 7.148 -1.723 5.195 1.00 0.45 O ATOM 764 CB LEU A 52 4.299 -0.755 3.753 1.00 0.61 C ATOM 765 CG LEU A 52 2.974 -1.301 3.221 1.00 0.76 C ATOM 766 CD1 LEU A 52 2.369 -0.351 2.216 1.00 0.87 C ATOM 767 CD2 LEU A 52 3.191 -2.665 2.581 1.00 0.93 C ATOM 0 H LEU A 52 3.110 -0.380 5.818 1.00 0.60 H new ATOM 0 HA LEU A 52 4.779 -2.459 4.968 1.00 0.55 H new ATOM 0 HB2 LEU A 52 4.201 0.322 3.891 1.00 0.61 H new ATOM 0 HB3 LEU A 52 5.068 -0.911 2.997 1.00 0.61 H new ATOM 0 HG LEU A 52 2.284 -1.404 4.058 1.00 0.76 H new ATOM 0 HD11 LEU A 52 1.427 -0.759 1.851 1.00 0.87 H new ATOM 0 HD12 LEU A 52 2.187 0.613 2.691 1.00 0.87 H new ATOM 0 HD13 LEU A 52 3.056 -0.220 1.380 1.00 0.87 H new ATOM 0 HD21 LEU A 52 2.241 -3.046 2.205 1.00 0.93 H new ATOM 0 HD22 LEU A 52 3.897 -2.572 1.756 1.00 0.93 H new ATOM 0 HD23 LEU A 52 3.590 -3.356 3.323 1.00 0.93 H new ATOM 779 N GLU A 53 6.359 0.274 5.905 1.00 0.45 N ATOM 780 CA GLU A 53 7.670 0.790 6.279 1.00 0.44 C ATOM 781 C GLU A 53 8.310 -0.085 7.322 1.00 0.46 C ATOM 782 O GLU A 53 9.384 -0.648 7.111 1.00 0.50 O ATOM 783 CB GLU A 53 7.613 2.179 6.903 1.00 0.52 C ATOM 784 CG GLU A 53 7.123 3.309 6.064 1.00 0.44 C ATOM 785 CD GLU A 53 7.285 4.602 6.818 1.00 0.45 C ATOM 786 OE1 GLU A 53 6.585 4.806 7.831 1.00 0.57 O ATOM 787 OE2 GLU A 53 8.127 5.434 6.426 1.00 0.45 O ATOM 0 H GLU A 53 5.589 0.923 6.071 1.00 0.45 H new ATOM 0 HA GLU A 53 8.234 0.817 5.346 1.00 0.44 H new ATOM 0 HB2 GLU A 53 6.978 2.121 7.787 1.00 0.52 H new ATOM 0 HB3 GLU A 53 8.616 2.431 7.247 1.00 0.52 H new ATOM 0 HG2 GLU A 53 7.680 3.349 5.128 1.00 0.44 H new ATOM 0 HG3 GLU A 53 6.075 3.156 5.805 1.00 0.44 H new ATOM 794 N SER A 54 7.624 -0.196 8.441 1.00 0.49 N ATOM 795 CA SER A 54 8.127 -0.857 9.615 1.00 0.56 C ATOM 796 C SER A 54 8.501 -2.315 9.353 1.00 0.55 C ATOM 797 O SER A 54 9.528 -2.794 9.846 1.00 0.67 O ATOM 798 CB SER A 54 7.097 -0.746 10.741 1.00 0.67 C ATOM 799 OG SER A 54 7.592 -1.272 11.964 1.00 1.36 O ATOM 0 H SER A 54 6.683 0.180 8.556 1.00 0.49 H new ATOM 0 HA SER A 54 9.049 -0.357 9.913 1.00 0.56 H new ATOM 0 HB2 SER A 54 6.822 0.300 10.880 1.00 0.67 H new ATOM 0 HB3 SER A 54 6.190 -1.279 10.457 1.00 0.67 H new ATOM 0 HG SER A 54 6.907 -1.182 12.660 1.00 1.36 H new ATOM 805 N ARG A 55 7.700 -3.005 8.573 1.00 0.52 N ATOM 806 CA ARG A 55 7.960 -4.400 8.320 1.00 0.57 C ATOM 807 C ARG A 55 9.041 -4.615 7.267 1.00 0.54 C ATOM 808 O ARG A 55 10.009 -5.318 7.512 1.00 0.65 O ATOM 809 CB ARG A 55 6.679 -5.144 7.941 1.00 0.67 C ATOM 810 CG ARG A 55 6.896 -6.619 7.608 1.00 0.77 C ATOM 811 CD ARG A 55 5.586 -7.334 7.360 1.00 0.96 C ATOM 812 NE ARG A 55 4.748 -7.359 8.559 1.00 1.60 N ATOM 813 CZ ARG A 55 3.542 -6.803 8.660 1.00 2.10 C ATOM 814 NH1 ARG A 55 3.020 -6.146 7.633 1.00 1.89 N ATOM 815 NH2 ARG A 55 2.860 -6.903 9.787 1.00 3.10 N ATOM 0 H ARG A 55 6.874 -2.627 8.109 1.00 0.52 H new ATOM 0 HA ARG A 55 8.338 -4.816 9.254 1.00 0.57 H new ATOM 0 HB2 ARG A 55 5.969 -5.068 8.765 1.00 0.67 H new ATOM 0 HB3 ARG A 55 6.224 -4.651 7.082 1.00 0.67 H new ATOM 0 HG2 ARG A 55 7.530 -6.704 6.725 1.00 0.77 H new ATOM 0 HG3 ARG A 55 7.426 -7.103 8.428 1.00 0.77 H new ATOM 0 HD2 ARG A 55 5.049 -6.839 6.551 1.00 0.96 H new ATOM 0 HD3 ARG A 55 5.785 -8.355 7.033 1.00 0.96 H new ATOM 0 HE ARG A 55 5.116 -7.839 9.381 1.00 1.60 H new ATOM 0 HH11 ARG A 55 3.543 -6.065 6.761 1.00 1.89 H new ATOM 0 HH12 ARG A 55 2.096 -5.722 7.715 1.00 1.89 H new ATOM 0 HH21 ARG A 55 3.257 -7.406 10.580 1.00 3.10 H new ATOM 0 HH22 ARG A 55 1.936 -6.477 9.864 1.00 3.10 H new ATOM 829 N TYR A 56 8.898 -3.987 6.116 1.00 0.50 N ATOM 830 CA TYR A 56 9.793 -4.281 4.995 1.00 0.57 C ATOM 831 C TYR A 56 11.086 -3.480 5.050 1.00 0.59 C ATOM 832 O TYR A 56 12.040 -3.774 4.338 1.00 0.73 O ATOM 833 CB TYR A 56 9.054 -4.119 3.658 1.00 0.65 C ATOM 834 CG TYR A 56 7.819 -4.996 3.595 1.00 0.72 C ATOM 835 CD1 TYR A 56 7.920 -6.344 3.286 1.00 0.89 C ATOM 836 CD2 TYR A 56 6.552 -4.466 3.792 1.00 0.76 C ATOM 837 CE1 TYR A 56 6.806 -7.140 3.180 1.00 1.03 C ATOM 838 CE2 TYR A 56 5.425 -5.255 3.676 1.00 0.91 C ATOM 839 CZ TYR A 56 5.557 -6.608 3.585 1.00 1.03 C ATOM 840 OH TYR A 56 4.432 -7.384 3.227 1.00 1.21 O ATOM 0 H TYR A 56 8.187 -3.281 5.926 1.00 0.50 H new ATOM 0 HA TYR A 56 10.097 -5.324 5.081 1.00 0.57 H new ATOM 0 HB2 TYR A 56 8.768 -3.076 3.524 1.00 0.65 H new ATOM 0 HB3 TYR A 56 9.725 -4.374 2.837 1.00 0.65 H new ATOM 0 HD1 TYR A 56 8.896 -6.777 3.125 1.00 0.89 H new ATOM 0 HD2 TYR A 56 6.446 -3.420 4.040 1.00 0.76 H new ATOM 0 HE1 TYR A 56 6.880 -8.147 2.797 1.00 1.03 H new ATOM 0 HE2 TYR A 56 4.445 -4.802 3.658 1.00 0.91 H new ATOM 0 HH TYR A 56 3.678 -6.792 3.023 1.00 1.21 H new ATOM 850 N GLY A 57 11.114 -2.481 5.901 1.00 0.52 N ATOM 851 CA GLY A 57 12.318 -1.708 6.084 1.00 0.56 C ATOM 852 C GLY A 57 12.391 -0.523 5.169 1.00 0.54 C ATOM 853 O GLY A 57 13.457 0.063 4.985 1.00 0.68 O ATOM 0 H GLY A 57 10.323 -2.187 6.473 1.00 0.52 H new ATOM 0 HA2 GLY A 57 12.372 -1.367 7.118 1.00 0.56 H new ATOM 0 HA3 GLY A 57 13.184 -2.347 5.913 1.00 0.56 H new ATOM 857 N VAL A 58 11.274 -0.155 4.606 1.00 0.47 N ATOM 858 CA VAL A 58 11.209 0.991 3.715 1.00 0.44 C ATOM 859 C VAL A 58 10.789 2.224 4.485 1.00 0.42 C ATOM 860 O VAL A 58 10.551 2.148 5.692 1.00 0.44 O ATOM 861 CB VAL A 58 10.246 0.789 2.502 1.00 0.46 C ATOM 862 CG1 VAL A 58 10.708 -0.339 1.632 1.00 0.55 C ATOM 863 CG2 VAL A 58 8.818 0.530 2.954 1.00 0.43 C ATOM 0 H VAL A 58 10.383 -0.632 4.745 1.00 0.47 H new ATOM 0 HA VAL A 58 12.212 1.113 3.307 1.00 0.44 H new ATOM 0 HB VAL A 58 10.263 1.715 1.927 1.00 0.46 H new ATOM 0 HG11 VAL A 58 10.020 -0.458 0.795 1.00 0.55 H new ATOM 0 HG12 VAL A 58 11.706 -0.121 1.253 1.00 0.55 H new ATOM 0 HG13 VAL A 58 10.734 -1.260 2.214 1.00 0.55 H new ATOM 0 HG21 VAL A 58 8.179 0.395 2.081 1.00 0.43 H new ATOM 0 HG22 VAL A 58 8.788 -0.370 3.568 1.00 0.43 H new ATOM 0 HG23 VAL A 58 8.461 1.379 3.537 1.00 0.43 H new ATOM 873 N SER A 59 10.752 3.344 3.824 1.00 0.43 N ATOM 874 CA SER A 59 10.206 4.519 4.404 1.00 0.48 C ATOM 875 C SER A 59 9.406 5.269 3.351 1.00 0.43 C ATOM 876 O SER A 59 9.919 5.624 2.278 1.00 0.49 O ATOM 877 CB SER A 59 11.274 5.411 5.051 1.00 0.65 C ATOM 878 OG SER A 59 10.661 6.440 5.837 1.00 1.28 O ATOM 0 H SER A 59 11.100 3.461 2.872 1.00 0.43 H new ATOM 0 HA SER A 59 9.543 4.224 5.217 1.00 0.48 H new ATOM 0 HB2 SER A 59 11.929 4.807 5.679 1.00 0.65 H new ATOM 0 HB3 SER A 59 11.899 5.859 4.278 1.00 0.65 H new ATOM 0 HG SER A 59 9.761 6.157 6.101 1.00 1.28 H new ATOM 884 N ILE A 60 8.156 5.462 3.652 1.00 0.39 N ATOM 885 CA ILE A 60 7.214 6.120 2.791 1.00 0.38 C ATOM 886 C ILE A 60 6.526 7.214 3.595 1.00 0.41 C ATOM 887 O ILE A 60 5.857 6.924 4.596 1.00 0.45 O ATOM 888 CB ILE A 60 6.141 5.124 2.260 1.00 0.37 C ATOM 889 CG1 ILE A 60 6.810 3.984 1.478 1.00 0.45 C ATOM 890 CG2 ILE A 60 5.111 5.852 1.388 1.00 0.38 C ATOM 891 CD1 ILE A 60 5.857 2.910 1.010 1.00 0.82 C ATOM 0 H ILE A 60 7.748 5.155 4.535 1.00 0.39 H new ATOM 0 HA ILE A 60 7.743 6.534 1.932 1.00 0.38 H new ATOM 0 HB ILE A 60 5.617 4.693 3.113 1.00 0.37 H new ATOM 0 HG12 ILE A 60 7.320 4.404 0.611 1.00 0.45 H new ATOM 0 HG13 ILE A 60 7.574 3.527 2.107 1.00 0.45 H new ATOM 0 HG21 ILE A 60 4.370 5.138 1.027 1.00 0.38 H new ATOM 0 HG22 ILE A 60 4.615 6.623 1.978 1.00 0.38 H new ATOM 0 HG23 ILE A 60 5.615 6.313 0.538 1.00 0.38 H new ATOM 0 HD11 ILE A 60 6.410 2.144 0.467 1.00 0.82 H new ATOM 0 HD12 ILE A 60 5.365 2.460 1.872 1.00 0.82 H new ATOM 0 HD13 ILE A 60 5.107 3.350 0.353 1.00 0.82 H new ATOM 903 N PRO A 61 6.713 8.478 3.202 1.00 0.48 N ATOM 904 CA PRO A 61 6.107 9.615 3.890 1.00 0.55 C ATOM 905 C PRO A 61 4.579 9.576 3.820 1.00 0.49 C ATOM 906 O PRO A 61 4.005 9.267 2.762 1.00 0.43 O ATOM 907 CB PRO A 61 6.635 10.834 3.122 1.00 0.66 C ATOM 908 CG PRO A 61 7.811 10.336 2.359 1.00 0.70 C ATOM 909 CD PRO A 61 7.529 8.901 2.055 1.00 0.58 C ATOM 0 HA PRO A 61 6.357 9.625 4.951 1.00 0.55 H new ATOM 0 HB2 PRO A 61 5.874 11.238 2.454 1.00 0.66 H new ATOM 0 HB3 PRO A 61 6.919 11.636 3.804 1.00 0.66 H new ATOM 0 HG2 PRO A 61 7.952 10.908 1.442 1.00 0.70 H new ATOM 0 HG3 PRO A 61 8.726 10.438 2.942 1.00 0.70 H new ATOM 0 HD2 PRO A 61 6.993 8.785 1.113 1.00 0.58 H new ATOM 0 HD3 PRO A 61 8.446 8.317 1.974 1.00 0.58 H new ATOM 917 N ASP A 62 3.938 9.904 4.943 1.00 0.57 N ATOM 918 CA ASP A 62 2.464 9.918 5.082 1.00 0.56 C ATOM 919 C ASP A 62 1.817 10.733 3.964 1.00 0.48 C ATOM 920 O ASP A 62 0.870 10.295 3.323 1.00 0.46 O ATOM 921 CB ASP A 62 2.047 10.529 6.444 1.00 0.71 C ATOM 922 CG ASP A 62 2.468 9.729 7.670 1.00 1.23 C ATOM 923 OD1 ASP A 62 3.665 9.759 8.053 1.00 1.52 O ATOM 924 OD2 ASP A 62 1.624 8.994 8.237 1.00 1.98 O ATOM 0 H ASP A 62 4.426 10.172 5.798 1.00 0.57 H new ATOM 0 HA ASP A 62 2.123 8.884 5.022 1.00 0.56 H new ATOM 0 HB2 ASP A 62 2.471 11.530 6.520 1.00 0.71 H new ATOM 0 HB3 ASP A 62 0.963 10.640 6.457 1.00 0.71 H new ATOM 929 N ASP A 63 2.404 11.885 3.702 1.00 0.52 N ATOM 930 CA ASP A 63 1.939 12.872 2.701 1.00 0.56 C ATOM 931 C ASP A 63 1.810 12.286 1.291 1.00 0.50 C ATOM 932 O ASP A 63 1.079 12.809 0.463 1.00 0.60 O ATOM 933 CB ASP A 63 2.933 14.038 2.636 1.00 0.71 C ATOM 934 CG ASP A 63 3.162 14.707 3.965 1.00 1.56 C ATOM 935 OD1 ASP A 63 3.810 14.119 4.846 1.00 2.20 O ATOM 936 OD2 ASP A 63 2.680 15.840 4.153 1.00 2.31 O ATOM 0 H ASP A 63 3.249 12.186 4.188 1.00 0.52 H new ATOM 0 HA ASP A 63 0.950 13.197 3.024 1.00 0.56 H new ATOM 0 HB2 ASP A 63 3.886 13.672 2.254 1.00 0.71 H new ATOM 0 HB3 ASP A 63 2.567 14.778 1.924 1.00 0.71 H new ATOM 941 N VAL A 64 2.525 11.220 1.026 1.00 0.46 N ATOM 942 CA VAL A 64 2.559 10.603 -0.297 1.00 0.48 C ATOM 943 C VAL A 64 1.413 9.595 -0.480 1.00 0.42 C ATOM 944 O VAL A 64 0.976 9.319 -1.601 1.00 0.46 O ATOM 945 CB VAL A 64 3.913 9.870 -0.497 1.00 0.54 C ATOM 946 CG1 VAL A 64 4.027 9.219 -1.876 1.00 0.64 C ATOM 947 CG2 VAL A 64 5.078 10.814 -0.265 1.00 0.63 C ATOM 0 H VAL A 64 3.106 10.747 1.718 1.00 0.46 H new ATOM 0 HA VAL A 64 2.443 11.395 -1.036 1.00 0.48 H new ATOM 0 HB VAL A 64 3.949 9.071 0.244 1.00 0.54 H new ATOM 0 HG11 VAL A 64 4.992 8.720 -1.964 1.00 0.64 H new ATOM 0 HG12 VAL A 64 3.228 8.488 -2.001 1.00 0.64 H new ATOM 0 HG13 VAL A 64 3.942 9.984 -2.648 1.00 0.64 H new ATOM 0 HG21 VAL A 64 6.016 10.278 -0.411 1.00 0.63 H new ATOM 0 HG22 VAL A 64 5.021 11.643 -0.970 1.00 0.63 H new ATOM 0 HG23 VAL A 64 5.036 11.201 0.753 1.00 0.63 H new ATOM 957 N ALA A 65 0.875 9.126 0.618 1.00 0.45 N ATOM 958 CA ALA A 65 -0.068 8.017 0.602 1.00 0.46 C ATOM 959 C ALA A 65 -1.406 8.327 -0.074 1.00 0.44 C ATOM 960 O ALA A 65 -2.073 7.428 -0.534 1.00 0.51 O ATOM 961 CB ALA A 65 -0.277 7.484 1.991 1.00 0.56 C ATOM 0 H ALA A 65 1.072 9.495 1.548 1.00 0.45 H new ATOM 0 HA ALA A 65 0.392 7.249 -0.020 1.00 0.46 H new ATOM 0 HB1 ALA A 65 -0.985 6.656 1.960 1.00 0.56 H new ATOM 0 HB2 ALA A 65 0.674 7.134 2.393 1.00 0.56 H new ATOM 0 HB3 ALA A 65 -0.672 8.275 2.629 1.00 0.56 H new ATOM 967 N GLY A 66 -1.783 9.578 -0.148 1.00 0.48 N ATOM 968 CA GLY A 66 -3.041 9.912 -0.792 1.00 0.57 C ATOM 969 C GLY A 66 -2.882 10.184 -2.280 1.00 0.58 C ATOM 970 O GLY A 66 -3.859 10.469 -2.975 1.00 0.91 O ATOM 0 H GLY A 66 -1.256 10.370 0.218 1.00 0.48 H new ATOM 0 HA2 GLY A 66 -3.747 9.093 -0.649 1.00 0.57 H new ATOM 0 HA3 GLY A 66 -3.470 10.790 -0.310 1.00 0.57 H new ATOM 974 N ARG A 67 -1.660 10.083 -2.770 1.00 0.43 N ATOM 975 CA ARG A 67 -1.366 10.359 -4.170 1.00 0.48 C ATOM 976 C ARG A 67 -1.516 9.098 -5.003 1.00 0.45 C ATOM 977 O ARG A 67 -1.874 9.162 -6.192 1.00 0.63 O ATOM 978 CB ARG A 67 0.060 10.876 -4.322 1.00 0.59 C ATOM 979 CG ARG A 67 0.379 12.109 -3.504 1.00 1.35 C ATOM 980 CD ARG A 67 1.830 12.485 -3.671 1.00 1.46 C ATOM 981 NE ARG A 67 2.239 13.601 -2.818 1.00 2.35 N ATOM 982 CZ ARG A 67 3.515 13.879 -2.513 1.00 2.83 C ATOM 983 NH1 ARG A 67 4.503 13.158 -3.053 1.00 2.42 N ATOM 984 NH2 ARG A 67 3.808 14.870 -1.681 1.00 3.92 N ATOM 0 H ARG A 67 -0.848 9.810 -2.217 1.00 0.43 H new ATOM 0 HA ARG A 67 -2.071 11.115 -4.517 1.00 0.48 H new ATOM 0 HB2 ARG A 67 0.751 10.082 -4.041 1.00 0.59 H new ATOM 0 HB3 ARG A 67 0.241 11.098 -5.374 1.00 0.59 H new ATOM 0 HG2 ARG A 67 -0.257 12.937 -3.818 1.00 1.35 H new ATOM 0 HG3 ARG A 67 0.163 11.922 -2.452 1.00 1.35 H new ATOM 0 HD2 ARG A 67 2.451 11.618 -3.446 1.00 1.46 H new ATOM 0 HD3 ARG A 67 2.013 12.747 -4.713 1.00 1.46 H new ATOM 0 HE ARG A 67 1.511 14.203 -2.433 1.00 2.35 H new ATOM 0 HH11 ARG A 67 4.286 12.397 -3.697 1.00 2.42 H new ATOM 0 HH12 ARG A 67 5.474 13.369 -2.821 1.00 2.42 H new ATOM 0 HH21 ARG A 67 3.060 15.427 -1.268 1.00 3.92 H new ATOM 0 HH22 ARG A 67 4.781 15.075 -1.454 1.00 3.92 H new ATOM 998 N VAL A 68 -1.258 7.960 -4.372 1.00 0.39 N ATOM 999 CA VAL A 68 -1.279 6.666 -5.040 1.00 0.38 C ATOM 1000 C VAL A 68 -2.666 6.328 -5.588 1.00 0.43 C ATOM 1001 O VAL A 68 -3.666 6.278 -4.863 1.00 0.48 O ATOM 1002 CB VAL A 68 -0.716 5.526 -4.142 1.00 0.34 C ATOM 1003 CG1 VAL A 68 0.757 5.767 -3.854 1.00 0.37 C ATOM 1004 CG2 VAL A 68 -1.484 5.398 -2.838 1.00 0.36 C ATOM 0 H VAL A 68 -1.028 7.909 -3.380 1.00 0.39 H new ATOM 0 HA VAL A 68 -0.608 6.748 -5.895 1.00 0.38 H new ATOM 0 HB VAL A 68 -0.834 4.590 -4.689 1.00 0.34 H new ATOM 0 HG11 VAL A 68 1.141 4.964 -3.225 1.00 0.37 H new ATOM 0 HG12 VAL A 68 1.312 5.790 -4.792 1.00 0.37 H new ATOM 0 HG13 VAL A 68 0.876 6.720 -3.338 1.00 0.37 H new ATOM 0 HG21 VAL A 68 -1.058 4.591 -2.242 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.417 6.333 -2.283 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.530 5.178 -3.052 1.00 0.36 H new ATOM 1014 N ASP A 69 -2.712 6.205 -6.888 1.00 0.51 N ATOM 1015 CA ASP A 69 -3.935 5.939 -7.621 1.00 0.65 C ATOM 1016 C ASP A 69 -4.397 4.512 -7.387 1.00 0.52 C ATOM 1017 O ASP A 69 -5.480 4.269 -6.853 1.00 0.58 O ATOM 1018 CB ASP A 69 -3.708 6.168 -9.130 1.00 0.86 C ATOM 1019 CG ASP A 69 -3.126 7.530 -9.446 1.00 1.39 C ATOM 1020 OD1 ASP A 69 -3.898 8.514 -9.516 1.00 1.44 O ATOM 1021 OD2 ASP A 69 -1.907 7.647 -9.653 1.00 2.20 O ATOM 0 H ASP A 69 -1.888 6.287 -7.484 1.00 0.51 H new ATOM 0 HA ASP A 69 -4.705 6.622 -7.263 1.00 0.65 H new ATOM 0 HB2 ASP A 69 -3.039 5.397 -9.511 1.00 0.86 H new ATOM 0 HB3 ASP A 69 -4.657 6.055 -9.655 1.00 0.86 H new ATOM 1026 N THR A 70 -3.575 3.581 -7.783 1.00 0.42 N ATOM 1027 CA THR A 70 -3.879 2.182 -7.661 1.00 0.34 C ATOM 1028 C THR A 70 -2.963 1.537 -6.627 1.00 0.30 C ATOM 1029 O THR A 70 -1.921 2.118 -6.258 1.00 0.33 O ATOM 1030 CB THR A 70 -3.635 1.486 -9.013 1.00 0.40 C ATOM 1031 OG1 THR A 70 -2.289 1.769 -9.450 1.00 0.51 O ATOM 1032 CG2 THR A 70 -4.631 1.954 -10.059 1.00 0.48 C ATOM 0 H THR A 70 -2.666 3.773 -8.204 1.00 0.42 H new ATOM 0 HA THR A 70 -4.920 2.076 -7.356 1.00 0.34 H new ATOM 0 HB THR A 70 -3.768 0.412 -8.885 1.00 0.40 H new ATOM 0 HG1 THR A 70 -2.125 1.328 -10.310 1.00 0.51 H new ATOM 0 HG21 THR A 70 -4.434 1.445 -11.003 1.00 0.48 H new ATOM 0 HG22 THR A 70 -5.643 1.723 -9.727 1.00 0.48 H new ATOM 0 HG23 THR A 70 -4.532 3.030 -10.200 1.00 0.48 H new ATOM 1040 N PRO A 71 -3.315 0.333 -6.126 1.00 0.31 N ATOM 1041 CA PRO A 71 -2.441 -0.436 -5.247 1.00 0.33 C ATOM 1042 C PRO A 71 -1.142 -0.792 -5.968 1.00 0.32 C ATOM 1043 O PRO A 71 -0.120 -0.982 -5.342 1.00 0.34 O ATOM 1044 CB PRO A 71 -3.251 -1.694 -4.933 1.00 0.38 C ATOM 1045 CG PRO A 71 -4.658 -1.279 -5.151 1.00 0.40 C ATOM 1046 CD PRO A 71 -4.611 -0.344 -6.315 1.00 0.35 C ATOM 0 HA PRO A 71 -2.153 0.110 -4.349 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -2.973 -2.521 -5.586 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -3.088 -2.028 -3.908 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -5.295 -2.138 -5.361 1.00 0.40 H new ATOM 0 HG3 PRO A 71 -5.066 -0.788 -4.267 1.00 0.40 H new ATOM 0 HD2 PRO A 71 -4.657 -0.876 -7.265 1.00 0.35 H new ATOM 0 HD3 PRO A 71 -5.443 0.360 -6.304 1.00 0.35 H new ATOM 1054 N ARG A 72 -1.201 -0.847 -7.302 1.00 0.34 N ATOM 1055 CA ARG A 72 -0.019 -1.078 -8.118 1.00 0.39 C ATOM 1056 C ARG A 72 0.937 0.095 -8.008 1.00 0.32 C ATOM 1057 O ARG A 72 2.144 -0.093 -7.907 1.00 0.31 O ATOM 1058 CB ARG A 72 -0.389 -1.378 -9.582 1.00 0.52 C ATOM 1059 CG ARG A 72 0.775 -1.233 -10.567 1.00 0.93 C ATOM 1060 CD ARG A 72 0.473 -1.880 -11.898 1.00 1.15 C ATOM 1061 NE ARG A 72 0.545 -3.341 -11.802 1.00 1.31 N ATOM 1062 CZ ARG A 72 -0.020 -4.209 -12.649 1.00 1.78 C ATOM 1063 NH1 ARG A 72 -0.855 -3.779 -13.603 1.00 2.53 N ATOM 1064 NH2 ARG A 72 0.236 -5.513 -12.520 1.00 1.99 N ATOM 0 H ARG A 72 -2.062 -0.733 -7.836 1.00 0.34 H new ATOM 0 HA ARG A 72 0.489 -1.964 -7.736 1.00 0.39 H new ATOM 0 HB2 ARG A 72 -0.779 -2.394 -9.645 1.00 0.52 H new ATOM 0 HB3 ARG A 72 -1.193 -0.708 -9.886 1.00 0.52 H new ATOM 0 HG2 ARG A 72 0.992 -0.176 -10.719 1.00 0.93 H new ATOM 0 HG3 ARG A 72 1.670 -1.684 -10.139 1.00 0.93 H new ATOM 0 HD2 ARG A 72 -0.521 -1.583 -12.233 1.00 1.15 H new ATOM 0 HD3 ARG A 72 1.181 -1.526 -12.647 1.00 1.15 H new ATOM 0 HE ARG A 72 1.072 -3.730 -11.020 1.00 1.31 H new ATOM 0 HH11 ARG A 72 -1.064 -2.784 -13.687 1.00 2.53 H new ATOM 0 HH12 ARG A 72 -1.282 -4.446 -14.245 1.00 2.53 H new ATOM 0 HH21 ARG A 72 0.858 -5.840 -11.780 1.00 1.99 H new ATOM 0 HH22 ARG A 72 -0.190 -6.182 -13.161 1.00 1.99 H new ATOM 1078 N GLU A 73 0.395 1.302 -8.002 1.00 0.31 N ATOM 1079 CA GLU A 73 1.203 2.499 -7.839 1.00 0.32 C ATOM 1080 C GLU A 73 1.888 2.462 -6.462 1.00 0.26 C ATOM 1081 O GLU A 73 3.092 2.685 -6.340 1.00 0.30 O ATOM 1082 CB GLU A 73 0.325 3.753 -7.965 1.00 0.45 C ATOM 1083 CG GLU A 73 1.097 5.060 -7.957 1.00 0.53 C ATOM 1084 CD GLU A 73 1.943 5.257 -9.199 1.00 1.09 C ATOM 1085 OE1 GLU A 73 2.871 4.464 -9.448 1.00 1.86 O ATOM 1086 OE2 GLU A 73 1.692 6.238 -9.949 1.00 1.51 O ATOM 0 H GLU A 73 -0.604 1.479 -8.108 1.00 0.31 H new ATOM 0 HA GLU A 73 1.963 2.534 -8.620 1.00 0.32 H new ATOM 0 HB2 GLU A 73 -0.249 3.689 -8.890 1.00 0.45 H new ATOM 0 HB3 GLU A 73 -0.393 3.764 -7.145 1.00 0.45 H new ATOM 0 HG2 GLU A 73 0.395 5.889 -7.867 1.00 0.53 H new ATOM 0 HG3 GLU A 73 1.740 5.090 -7.078 1.00 0.53 H new ATOM 1093 N LEU A 74 1.104 2.116 -5.453 1.00 0.25 N ATOM 1094 CA LEU A 74 1.581 2.029 -4.077 1.00 0.26 C ATOM 1095 C LEU A 74 2.658 0.920 -3.961 1.00 0.24 C ATOM 1096 O LEU A 74 3.703 1.121 -3.348 1.00 0.27 O ATOM 1097 CB LEU A 74 0.351 1.783 -3.140 1.00 0.29 C ATOM 1098 CG LEU A 74 0.530 1.872 -1.595 1.00 0.33 C ATOM 1099 CD1 LEU A 74 1.330 0.723 -1.033 1.00 1.30 C ATOM 1100 CD2 LEU A 74 1.152 3.199 -1.187 1.00 1.14 C ATOM 0 H LEU A 74 0.116 1.887 -5.563 1.00 0.25 H new ATOM 0 HA LEU A 74 2.059 2.959 -3.768 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.421 2.500 -3.421 1.00 0.29 H new ATOM 0 HB3 LEU A 74 -0.038 0.790 -3.366 1.00 0.29 H new ATOM 0 HG LEU A 74 -0.471 1.807 -1.169 1.00 0.33 H new ATOM 0 HD11 LEU A 74 1.422 0.838 0.047 1.00 1.30 H new ATOM 0 HD12 LEU A 74 0.824 -0.216 -1.256 1.00 1.30 H new ATOM 0 HD13 LEU A 74 2.323 0.716 -1.483 1.00 1.30 H new ATOM 0 HD21 LEU A 74 1.264 3.230 -0.103 1.00 1.14 H new ATOM 0 HD22 LEU A 74 2.131 3.302 -1.656 1.00 1.14 H new ATOM 0 HD23 LEU A 74 0.508 4.017 -1.509 1.00 1.14 H new ATOM 1112 N LEU A 75 2.390 -0.222 -4.577 1.00 0.22 N ATOM 1113 CA LEU A 75 3.302 -1.363 -4.567 1.00 0.24 C ATOM 1114 C LEU A 75 4.625 -1.009 -5.254 1.00 0.23 C ATOM 1115 O LEU A 75 5.698 -1.244 -4.703 1.00 0.25 O ATOM 1116 CB LEU A 75 2.636 -2.568 -5.263 1.00 0.28 C ATOM 1117 CG LEU A 75 3.421 -3.884 -5.288 1.00 0.36 C ATOM 1118 CD1 LEU A 75 3.678 -4.392 -3.881 1.00 0.42 C ATOM 1119 CD2 LEU A 75 2.679 -4.930 -6.101 1.00 0.47 C ATOM 0 H LEU A 75 1.531 -0.387 -5.101 1.00 0.22 H new ATOM 0 HA LEU A 75 3.522 -1.627 -3.532 1.00 0.24 H new ATOM 0 HB2 LEU A 75 1.680 -2.754 -4.774 1.00 0.28 H new ATOM 0 HB3 LEU A 75 2.418 -2.285 -6.293 1.00 0.28 H new ATOM 0 HG LEU A 75 4.384 -3.693 -5.761 1.00 0.36 H new ATOM 0 HD11 LEU A 75 4.237 -5.327 -3.928 1.00 0.42 H new ATOM 0 HD12 LEU A 75 4.255 -3.652 -3.327 1.00 0.42 H new ATOM 0 HD13 LEU A 75 2.727 -4.563 -3.376 1.00 0.42 H new ATOM 0 HD21 LEU A 75 3.251 -5.858 -6.108 1.00 0.47 H new ATOM 0 HD22 LEU A 75 1.700 -5.110 -5.656 1.00 0.47 H new ATOM 0 HD23 LEU A 75 2.553 -4.574 -7.123 1.00 0.47 H new ATOM 1131 N ASP A 76 4.525 -0.406 -6.434 1.00 0.24 N ATOM 1132 CA ASP A 76 5.692 0.001 -7.241 1.00 0.30 C ATOM 1133 C ASP A 76 6.609 0.928 -6.456 1.00 0.28 C ATOM 1134 O ASP A 76 7.842 0.829 -6.543 1.00 0.31 O ATOM 1135 CB ASP A 76 5.225 0.684 -8.528 1.00 0.40 C ATOM 1136 CG ASP A 76 6.356 1.169 -9.411 1.00 0.57 C ATOM 1137 OD1 ASP A 76 6.935 0.347 -10.174 1.00 0.76 O ATOM 1138 OD2 ASP A 76 6.652 2.378 -9.401 1.00 0.64 O ATOM 0 H ASP A 76 3.630 -0.180 -6.869 1.00 0.24 H new ATOM 0 HA ASP A 76 6.259 -0.895 -7.495 1.00 0.30 H new ATOM 0 HB2 ASP A 76 4.608 -0.014 -9.095 1.00 0.40 H new ATOM 0 HB3 ASP A 76 4.591 1.532 -8.268 1.00 0.40 H new ATOM 1143 N LEU A 77 6.003 1.808 -5.683 1.00 0.27 N ATOM 1144 CA LEU A 77 6.719 2.724 -4.807 1.00 0.29 C ATOM 1145 C LEU A 77 7.597 1.932 -3.816 1.00 0.28 C ATOM 1146 O LEU A 77 8.788 2.226 -3.637 1.00 0.33 O ATOM 1147 CB LEU A 77 5.700 3.597 -4.048 1.00 0.32 C ATOM 1148 CG LEU A 77 6.250 4.597 -3.023 1.00 0.43 C ATOM 1149 CD1 LEU A 77 7.146 5.631 -3.687 1.00 0.96 C ATOM 1150 CD2 LEU A 77 5.103 5.274 -2.285 1.00 0.63 C ATOM 0 H LEU A 77 4.989 1.911 -5.643 1.00 0.27 H new ATOM 0 HA LEU A 77 7.369 3.366 -5.401 1.00 0.29 H new ATOM 0 HB2 LEU A 77 5.120 4.154 -4.784 1.00 0.32 H new ATOM 0 HB3 LEU A 77 5.007 2.933 -3.532 1.00 0.32 H new ATOM 0 HG LEU A 77 6.857 4.048 -2.303 1.00 0.43 H new ATOM 0 HD11 LEU A 77 7.520 6.325 -2.935 1.00 0.96 H new ATOM 0 HD12 LEU A 77 7.986 5.130 -4.168 1.00 0.96 H new ATOM 0 HD13 LEU A 77 6.575 6.180 -4.435 1.00 0.96 H new ATOM 0 HD21 LEU A 77 5.504 5.982 -1.560 1.00 0.63 H new ATOM 0 HD22 LEU A 77 4.473 5.804 -2.999 1.00 0.63 H new ATOM 0 HD23 LEU A 77 4.509 4.521 -1.767 1.00 0.63 H new ATOM 1162 N ILE A 78 7.017 0.897 -3.235 1.00 0.25 N ATOM 1163 CA ILE A 78 7.707 0.067 -2.258 1.00 0.28 C ATOM 1164 C ILE A 78 8.782 -0.763 -2.937 1.00 0.30 C ATOM 1165 O ILE A 78 9.927 -0.735 -2.516 1.00 0.34 O ATOM 1166 CB ILE A 78 6.741 -0.886 -1.535 1.00 0.34 C ATOM 1167 CG1 ILE A 78 5.555 -0.114 -0.999 1.00 0.40 C ATOM 1168 CG2 ILE A 78 7.471 -1.583 -0.381 1.00 0.40 C ATOM 1169 CD1 ILE A 78 4.570 -0.968 -0.270 1.00 0.51 C ATOM 0 H ILE A 78 6.058 0.607 -3.425 1.00 0.25 H new ATOM 0 HA ILE A 78 8.152 0.741 -1.526 1.00 0.28 H new ATOM 0 HB ILE A 78 6.385 -1.636 -2.242 1.00 0.34 H new ATOM 0 HG12 ILE A 78 5.913 0.668 -0.329 1.00 0.40 H new ATOM 0 HG13 ILE A 78 5.050 0.383 -1.827 1.00 0.40 H new ATOM 0 HG21 ILE A 78 6.784 -2.258 0.130 1.00 0.40 H new ATOM 0 HG22 ILE A 78 8.313 -2.152 -0.774 1.00 0.40 H new ATOM 0 HG23 ILE A 78 7.836 -0.835 0.323 1.00 0.40 H new ATOM 0 HD11 ILE A 78 3.746 -0.350 0.087 1.00 0.51 H new ATOM 0 HD12 ILE A 78 4.184 -1.734 -0.943 1.00 0.51 H new ATOM 0 HD13 ILE A 78 5.060 -1.445 0.579 1.00 0.51 H new ATOM 1181 N ASN A 79 8.405 -1.516 -3.983 1.00 0.34 N ATOM 1182 CA ASN A 79 9.367 -2.370 -4.725 1.00 0.43 C ATOM 1183 C ASN A 79 10.554 -1.547 -5.212 1.00 0.46 C ATOM 1184 O ASN A 79 11.684 -2.043 -5.269 1.00 0.50 O ATOM 1185 CB ASN A 79 8.725 -3.082 -5.935 1.00 0.55 C ATOM 1186 CG ASN A 79 7.684 -4.129 -5.594 1.00 0.62 C ATOM 1187 OD1 ASN A 79 6.524 -3.826 -5.469 1.00 1.33 O ATOM 1188 ND2 ASN A 79 8.080 -5.374 -5.507 1.00 0.84 N ATOM 0 H ASN A 79 7.449 -1.556 -4.338 1.00 0.34 H new ATOM 0 HA ASN A 79 9.699 -3.133 -4.021 1.00 0.43 H new ATOM 0 HB2 ASN A 79 8.264 -2.330 -6.575 1.00 0.55 H new ATOM 0 HB3 ASN A 79 9.515 -3.556 -6.518 1.00 0.55 H new ATOM 0 HD21 ASN A 79 7.401 -6.114 -5.330 1.00 0.84 H new ATOM 0 HD22 ASN A 79 9.068 -5.604 -5.617 1.00 0.84 H new ATOM 1195 N GLY A 80 10.289 -0.297 -5.575 1.00 0.47 N ATOM 1196 CA GLY A 80 11.337 0.610 -5.972 1.00 0.56 C ATOM 1197 C GLY A 80 12.301 0.872 -4.832 1.00 0.55 C ATOM 1198 O GLY A 80 13.507 0.699 -4.984 1.00 0.63 O ATOM 0 H GLY A 80 9.351 0.104 -5.600 1.00 0.47 H new ATOM 0 HA2 GLY A 80 11.879 0.193 -6.821 1.00 0.56 H new ATOM 0 HA3 GLY A 80 10.899 1.551 -6.304 1.00 0.56 H new ATOM 1202 N ALA A 81 11.767 1.242 -3.680 1.00 0.49 N ATOM 1203 CA ALA A 81 12.580 1.518 -2.488 1.00 0.53 C ATOM 1204 C ALA A 81 13.290 0.244 -1.988 1.00 0.50 C ATOM 1205 O ALA A 81 14.431 0.287 -1.507 1.00 0.61 O ATOM 1206 CB ALA A 81 11.708 2.113 -1.389 1.00 0.53 C ATOM 0 H ALA A 81 10.764 1.361 -3.536 1.00 0.49 H new ATOM 0 HA ALA A 81 13.350 2.240 -2.759 1.00 0.53 H new ATOM 0 HB1 ALA A 81 12.319 2.315 -0.509 1.00 0.53 H new ATOM 0 HB2 ALA A 81 11.262 3.043 -1.742 1.00 0.53 H new ATOM 0 HB3 ALA A 81 10.919 1.408 -1.129 1.00 0.53 H new ATOM 1212 N LEU A 82 12.620 -0.885 -2.140 1.00 0.42 N ATOM 1213 CA LEU A 82 13.151 -2.188 -1.744 1.00 0.44 C ATOM 1214 C LEU A 82 14.301 -2.659 -2.636 1.00 0.56 C ATOM 1215 O LEU A 82 14.975 -3.631 -2.323 1.00 0.74 O ATOM 1216 CB LEU A 82 12.047 -3.241 -1.698 1.00 0.40 C ATOM 1217 CG LEU A 82 11.123 -3.194 -0.481 1.00 0.38 C ATOM 1218 CD1 LEU A 82 10.007 -4.205 -0.628 1.00 0.45 C ATOM 1219 CD2 LEU A 82 11.916 -3.488 0.786 1.00 0.46 C ATOM 0 H LEU A 82 11.685 -0.929 -2.544 1.00 0.42 H new ATOM 0 HA LEU A 82 13.558 -2.059 -0.741 1.00 0.44 H new ATOM 0 HB2 LEU A 82 11.437 -3.138 -2.596 1.00 0.40 H new ATOM 0 HB3 LEU A 82 12.511 -4.226 -1.739 1.00 0.40 H new ATOM 0 HG LEU A 82 10.690 -2.196 -0.412 1.00 0.38 H new ATOM 0 HD11 LEU A 82 9.357 -4.160 0.246 1.00 0.45 H new ATOM 0 HD12 LEU A 82 9.427 -3.979 -1.523 1.00 0.45 H new ATOM 0 HD13 LEU A 82 10.431 -5.205 -0.713 1.00 0.45 H new ATOM 0 HD21 LEU A 82 11.250 -3.453 1.648 1.00 0.46 H new ATOM 0 HD22 LEU A 82 12.363 -4.479 0.713 1.00 0.46 H new ATOM 0 HD23 LEU A 82 12.703 -2.743 0.904 1.00 0.46 H new ATOM 1231 N ALA A 83 14.538 -1.961 -3.733 1.00 0.56 N ATOM 1232 CA ALA A 83 15.639 -2.301 -4.623 1.00 0.71 C ATOM 1233 C ALA A 83 16.969 -1.829 -4.030 1.00 0.84 C ATOM 1234 O ALA A 83 18.042 -2.231 -4.473 1.00 1.00 O ATOM 1235 CB ALA A 83 15.424 -1.707 -6.008 1.00 0.78 C ATOM 0 H ALA A 83 13.985 -1.157 -4.030 1.00 0.56 H new ATOM 0 HA ALA A 83 15.672 -3.386 -4.726 1.00 0.71 H new ATOM 0 HB1 ALA A 83 16.261 -1.976 -6.653 1.00 0.78 H new ATOM 0 HB2 ALA A 83 14.499 -2.098 -6.432 1.00 0.78 H new ATOM 0 HB3 ALA A 83 15.359 -0.622 -5.932 1.00 0.78 H new ATOM 1241 N GLU A 84 16.880 -0.981 -3.025 1.00 0.89 N ATOM 1242 CA GLU A 84 18.044 -0.461 -2.345 1.00 1.12 C ATOM 1243 C GLU A 84 18.246 -1.251 -1.048 1.00 1.10 C ATOM 1244 O GLU A 84 19.200 -1.040 -0.306 1.00 1.37 O ATOM 1245 CB GLU A 84 17.820 1.034 -2.057 1.00 1.34 C ATOM 1246 CG GLU A 84 19.014 1.783 -1.475 1.00 1.96 C ATOM 1247 CD GLU A 84 20.231 1.738 -2.369 1.00 2.48 C ATOM 1248 OE1 GLU A 84 20.188 2.294 -3.479 1.00 2.77 O ATOM 1249 OE2 GLU A 84 21.261 1.142 -1.971 1.00 3.17 O ATOM 0 H GLU A 84 15.994 -0.633 -2.657 1.00 0.89 H new ATOM 0 HA GLU A 84 18.938 -0.566 -2.960 1.00 1.12 H new ATOM 0 HB2 GLU A 84 17.525 1.523 -2.985 1.00 1.34 H new ATOM 0 HB3 GLU A 84 16.983 1.130 -1.366 1.00 1.34 H new ATOM 0 HG2 GLU A 84 18.735 2.822 -1.302 1.00 1.96 H new ATOM 0 HG3 GLU A 84 19.267 1.355 -0.505 1.00 1.96 H new ATOM 1256 N ALA A 85 17.352 -2.186 -0.807 1.00 1.08 N ATOM 1257 CA ALA A 85 17.375 -2.968 0.398 1.00 1.24 C ATOM 1258 C ALA A 85 18.097 -4.277 0.170 1.00 1.57 C ATOM 1259 O ALA A 85 17.607 -5.154 -0.553 1.00 1.86 O ATOM 1260 CB ALA A 85 15.962 -3.220 0.885 1.00 1.36 C ATOM 0 H ALA A 85 16.591 -2.421 -1.444 1.00 1.08 H new ATOM 0 HA ALA A 85 17.914 -2.410 1.163 1.00 1.24 H new ATOM 0 HB1 ALA A 85 15.992 -3.814 1.799 1.00 1.36 H new ATOM 0 HB2 ALA A 85 15.472 -2.268 1.087 1.00 1.36 H new ATOM 0 HB3 ALA A 85 15.404 -3.760 0.120 1.00 1.36 H new ATOM 1266 N ALA A 86 19.251 -4.398 0.759 1.00 2.28 N ATOM 1267 CA ALA A 86 20.043 -5.590 0.661 1.00 2.95 C ATOM 1268 C ALA A 86 19.795 -6.442 1.882 1.00 3.59 C ATOM 1269 O ALA A 86 19.168 -7.505 1.761 1.00 4.18 O ATOM 1270 CB ALA A 86 21.511 -5.254 0.521 1.00 3.65 C ATOM 1271 OXT ALA A 86 20.136 -6.008 3.003 1.00 3.96 O ATOM 0 H ALA A 86 19.674 -3.664 1.327 1.00 2.28 H new ATOM 0 HA ALA A 86 19.754 -6.146 -0.231 1.00 2.95 H new ATOM 0 HB1 ALA A 86 22.090 -6.175 0.449 1.00 3.65 H new ATOM 0 HB2 ALA A 86 21.664 -4.658 -0.379 1.00 3.65 H new ATOM 0 HB3 ALA A 86 21.839 -4.687 1.392 1.00 3.65 H new TER 1277 ALA A 86 HETATM 1278 P24 SXV A 87 -4.038 12.212 1.685 1.00 1.02 P HETATM 1279 O26 SXV A 87 -2.567 12.290 1.236 1.00 1.46 O HETATM 1280 O23 SXV A 87 -5.152 12.523 0.621 1.00 1.45 O HETATM 1281 O27 SXV A 87 -4.263 13.205 2.856 1.00 1.00 O HETATM 1282 C28 SXV A 87 -3.478 13.046 4.089 1.00 1.26 C HETATM 1283 C29 SXV A 87 -3.644 14.259 5.031 1.00 1.33 C HETATM 1284 C30 SXV A 87 -2.554 14.133 6.071 1.00 1.50 C HETATM 1285 C31 SXV A 87 -3.429 15.551 4.239 1.00 1.44 C HETATM 1286 C32 SXV A 87 -5.122 14.257 5.677 1.00 1.82 C HETATM 1287 O33 SXV A 87 -6.109 14.375 4.660 1.00 2.23 O HETATM 1288 C34 SXV A 87 -5.400 15.436 6.630 1.00 2.37 C HETATM 1289 O35 SXV A 87 -6.262 16.276 6.296 1.00 2.83 O HETATM 1290 N36 SXV A 87 -4.755 15.509 7.777 1.00 3.05 N HETATM 1291 C37 SXV A 87 -4.977 16.574 8.758 1.00 4.03 C HETATM 1292 C38 SXV A 87 -3.737 16.919 9.569 1.00 4.86 C HETATM 1293 C39 SXV A 87 -4.025 17.930 10.679 1.00 5.59 C HETATM 1294 O40 SXV A 87 -5.174 18.329 10.915 1.00 5.87 O HETATM 1295 N41 SXV A 87 -2.967 18.331 11.345 1.00 6.22 N HETATM 1296 C42 SXV A 87 -3.001 19.282 12.444 1.00 7.18 C HETATM 1297 C43 SXV A 87 -1.633 19.872 12.736 1.00 7.81 C HETATM 1298 S1 SXV A 87 -1.531 20.687 14.341 1.00 8.59 S HETATM 1299 C1 SXV A 87 0.191 21.253 14.301 1.00 9.00 C HETATM 1300 C2 SXV A 87 0.678 21.913 15.591 1.00 9.66 C HETATM 1301 C3 SXV A 87 -0.015 23.227 15.927 1.00 10.13 C HETATM 1302 O3 SXV A 87 -1.215 23.269 16.249 1.00 10.24 O HETATM 1303 C4 SXV A 87 0.817 24.486 15.879 1.00 10.73 C HETATM 0 HO33 SXV A 87 -5.738 14.069 3.806 1.00 2.23 H new HETATM 0 HN41 SXV A 87 -2.061 17.950 11.073 1.00 6.22 H new HETATM 0 HN36 SXV A 87 -4.067 14.788 7.992 1.00 3.05 H new HETATM 0 H43A SXV A 87 -0.887 19.079 12.692 1.00 7.81 H new HETATM 0 H42A SXV A 87 -3.698 20.086 12.205 1.00 7.18 H new HETATM 0 H38A SXV A 87 -3.329 16.009 10.008 1.00 4.86 H new HETATM 0 H37A SXV A 87 -5.323 17.468 8.240 1.00 4.03 H new HETATM 0 H31B SXV A 87 -2.425 15.555 3.815 1.00 1.44 H new HETATM 0 H31A SXV A 87 -4.163 15.612 3.435 1.00 1.44 H new HETATM 0 H30B SXV A 87 -2.675 13.195 6.613 1.00 1.50 H new HETATM 0 H30A SXV A 87 -1.580 14.146 5.581 1.00 1.50 H new HETATM 0 H28A SXV A 87 -3.791 12.138 4.605 1.00 1.26 H new HETATM 0 H4B SXV A 87 1.640 24.405 16.589 1.00 10.73 H new HETATM 0 H4A SXV A 87 1.216 24.620 14.874 1.00 10.73 H new HETATM 0 H43 SXV A 87 -1.381 20.590 11.956 1.00 7.81 H new HETATM 0 H42 SXV A 87 -3.380 18.787 13.338 1.00 7.18 H new HETATM 0 H4 SXV A 87 0.196 25.343 16.140 1.00 10.73 H new HETATM 0 H38 SXV A 87 -2.973 17.322 8.904 1.00 4.86 H new HETATM 0 H37 SXV A 87 -5.773 16.271 9.438 1.00 4.03 H new HETATM 0 H32 SXV A 87 -5.168 13.317 6.227 1.00 1.82 H new HETATM 0 H31 SXV A 87 -3.546 16.408 4.902 1.00 1.44 H new HETATM 0 H30 SXV A 87 -2.620 14.967 6.770 1.00 1.50 H new HETATM 0 H2A SXV A 87 0.532 21.218 16.418 1.00 9.66 H new HETATM 0 H28 SXV A 87 -2.425 12.922 3.837 1.00 1.26 H new HETATM 0 H2 SXV A 87 1.750 22.092 15.511 1.00 9.66 H new HETATM 0 H1A SXV A 87 0.834 20.401 14.080 1.00 9.00 H new HETATM 0 H1 SXV A 87 0.307 21.961 13.481 1.00 9.00 H new