USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 652 hydrogens (23 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 180:sc= 0.507! USER MOD Set 1.2: A 40 TYR OH : rot 179:sc= 1.15 USER MOD Set 1.3: A 48 THR OG1 : rot 74:sc= 1.53 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 6 THR OG1 : rot 11:sc= 1.03 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 14:sc= 1.21 USER MOD Single : A 24 THR OG1 : rot -134:sc= 0.193 USER MOD Single : A 27 SER OG : rot 8:sc= 0.432 USER MOD Single : A 46 MET CE :methyl 163:sc= -0.0875 (180deg=-0.48) USER MOD Single : A 54 SER OG : rot -79:sc= 0.983 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 101:sc= -0.788 USER MOD Single : A 79 ASN : amide:sc= 1.14 K(o=1.1,f=-10!) USER MOD Single : A 87 SXA O33 : rot -126:sc= 0.16 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.769 -2.782 3.902 1.00 4.19 N ATOM 2 CA MET A 1 16.464 -4.040 3.227 1.00 3.33 C ATOM 3 C MET A 1 15.057 -4.576 3.511 1.00 2.81 C ATOM 4 O MET A 1 14.149 -4.387 2.698 1.00 3.10 O ATOM 5 CB MET A 1 17.605 -5.116 3.347 1.00 3.38 C ATOM 6 CG MET A 1 18.313 -5.290 4.721 1.00 4.12 C ATOM 7 SD MET A 1 17.279 -5.939 6.054 1.00 4.79 S ATOM 8 CE MET A 1 18.470 -6.094 7.390 1.00 5.54 C ATOM 0 H1 MET A 1 17.736 -2.484 3.661 1.00 4.19 H new ATOM 0 H2 MET A 1 16.095 -2.051 3.595 1.00 4.19 H new ATOM 0 H3 MET A 1 16.693 -2.913 4.931 1.00 4.19 H new ATOM 0 HA MET A 1 16.441 -3.788 2.167 1.00 3.33 H new ATOM 0 HB2 MET A 1 17.183 -6.081 3.066 1.00 3.38 H new ATOM 0 HB3 MET A 1 18.369 -4.875 2.608 1.00 3.38 H new ATOM 0 HG2 MET A 1 19.165 -5.957 4.589 1.00 4.12 H new ATOM 0 HG3 MET A 1 18.710 -4.323 5.031 1.00 4.12 H new ATOM 0 HE1 MET A 1 17.972 -6.484 8.278 1.00 5.54 H new ATOM 0 HE2 MET A 1 19.266 -6.777 7.091 1.00 5.54 H new ATOM 0 HE3 MET A 1 18.896 -5.116 7.613 1.00 5.54 H new ATOM 20 N ALA A 2 14.879 -5.206 4.661 1.00 2.62 N ATOM 21 CA ALA A 2 13.642 -5.830 5.087 1.00 2.47 C ATOM 22 C ALA A 2 13.217 -6.936 4.129 1.00 1.86 C ATOM 23 O ALA A 2 13.749 -8.053 4.189 1.00 1.91 O ATOM 24 CB ALA A 2 12.525 -4.816 5.358 1.00 3.03 C ATOM 0 H ALA A 2 15.625 -5.299 5.350 1.00 2.62 H new ATOM 0 HA ALA A 2 13.841 -6.302 6.049 1.00 2.47 H new ATOM 0 HB1 ALA A 2 11.624 -5.343 5.673 1.00 3.03 H new ATOM 0 HB2 ALA A 2 12.839 -4.131 6.145 1.00 3.03 H new ATOM 0 HB3 ALA A 2 12.316 -4.253 4.448 1.00 3.03 H new ATOM 30 N THR A 3 12.341 -6.628 3.216 1.00 1.56 N ATOM 31 CA THR A 3 11.832 -7.577 2.260 1.00 1.14 C ATOM 32 C THR A 3 11.257 -6.780 1.102 1.00 0.93 C ATOM 33 O THR A 3 10.701 -5.700 1.333 1.00 1.17 O ATOM 34 CB THR A 3 10.672 -8.420 2.895 1.00 1.54 C ATOM 35 OG1 THR A 3 11.096 -9.012 4.141 1.00 1.88 O ATOM 36 CG2 THR A 3 10.230 -9.534 1.955 1.00 1.93 C ATOM 0 H THR A 3 11.951 -5.691 3.111 1.00 1.56 H new ATOM 0 HA THR A 3 12.628 -8.250 1.941 1.00 1.14 H new ATOM 0 HB THR A 3 9.837 -7.742 3.073 1.00 1.54 H new ATOM 0 HG1 THR A 3 10.359 -9.533 4.523 1.00 1.88 H new ATOM 0 HG21 THR A 3 9.425 -10.104 2.419 1.00 1.93 H new ATOM 0 HG22 THR A 3 9.876 -9.101 1.019 1.00 1.93 H new ATOM 0 HG23 THR A 3 11.073 -10.195 1.753 1.00 1.93 H new ATOM 44 N LEU A 4 11.474 -7.236 -0.127 1.00 0.66 N ATOM 45 CA LEU A 4 10.783 -6.642 -1.259 1.00 0.56 C ATOM 46 C LEU A 4 9.316 -6.973 -1.096 1.00 0.50 C ATOM 47 O LEU A 4 8.968 -8.127 -0.805 1.00 0.76 O ATOM 48 CB LEU A 4 11.302 -7.174 -2.599 1.00 0.65 C ATOM 49 CG LEU A 4 12.752 -6.846 -2.955 1.00 0.79 C ATOM 50 CD1 LEU A 4 13.092 -7.418 -4.317 1.00 0.96 C ATOM 51 CD2 LEU A 4 12.988 -5.341 -2.943 1.00 0.86 C ATOM 0 H LEU A 4 12.110 -7.999 -0.360 1.00 0.66 H new ATOM 0 HA LEU A 4 10.955 -5.566 -1.273 1.00 0.56 H new ATOM 0 HB2 LEU A 4 11.188 -8.258 -2.601 1.00 0.65 H new ATOM 0 HB3 LEU A 4 10.661 -6.785 -3.390 1.00 0.65 H new ATOM 0 HG LEU A 4 13.401 -7.298 -2.205 1.00 0.79 H new ATOM 0 HD11 LEU A 4 14.127 -7.180 -4.564 1.00 0.96 H new ATOM 0 HD12 LEU A 4 12.963 -8.500 -4.300 1.00 0.96 H new ATOM 0 HD13 LEU A 4 12.431 -6.986 -5.068 1.00 0.96 H new ATOM 0 HD21 LEU A 4 14.027 -5.134 -3.199 1.00 0.86 H new ATOM 0 HD22 LEU A 4 12.332 -4.864 -3.671 1.00 0.86 H new ATOM 0 HD23 LEU A 4 12.774 -4.947 -1.949 1.00 0.86 H new ATOM 63 N LEU A 5 8.471 -6.013 -1.284 1.00 0.36 N ATOM 64 CA LEU A 5 7.091 -6.194 -0.948 1.00 0.36 C ATOM 65 C LEU A 5 6.340 -7.011 -1.965 1.00 0.39 C ATOM 66 O LEU A 5 6.510 -6.849 -3.185 1.00 0.52 O ATOM 67 CB LEU A 5 6.364 -4.869 -0.685 1.00 0.42 C ATOM 68 CG LEU A 5 6.943 -3.948 0.394 1.00 0.51 C ATOM 69 CD1 LEU A 5 5.907 -2.925 0.822 1.00 0.61 C ATOM 70 CD2 LEU A 5 7.466 -4.725 1.586 1.00 0.54 C ATOM 0 H LEU A 5 8.707 -5.098 -1.667 1.00 0.36 H new ATOM 0 HA LEU A 5 7.102 -6.759 -0.016 1.00 0.36 H new ATOM 0 HB2 LEU A 5 6.331 -4.312 -1.621 1.00 0.42 H new ATOM 0 HB3 LEU A 5 5.333 -5.098 -0.414 1.00 0.42 H new ATOM 0 HG LEU A 5 7.795 -3.425 -0.040 1.00 0.51 H new ATOM 0 HD11 LEU A 5 6.331 -2.277 1.589 1.00 0.61 H new ATOM 0 HD12 LEU A 5 5.612 -2.324 -0.038 1.00 0.61 H new ATOM 0 HD13 LEU A 5 5.033 -3.438 1.223 1.00 0.61 H new ATOM 0 HD21 LEU A 5 7.867 -4.031 2.325 1.00 0.54 H new ATOM 0 HD22 LEU A 5 6.653 -5.300 2.031 1.00 0.54 H new ATOM 0 HD23 LEU A 5 8.254 -5.404 1.260 1.00 0.54 H new ATOM 82 N THR A 6 5.547 -7.896 -1.449 1.00 0.36 N ATOM 83 CA THR A 6 4.663 -8.719 -2.196 1.00 0.41 C ATOM 84 C THR A 6 3.223 -8.492 -1.707 1.00 0.30 C ATOM 85 O THR A 6 2.984 -7.557 -0.911 1.00 0.24 O ATOM 86 CB THR A 6 5.069 -10.215 -2.098 1.00 0.56 C ATOM 87 OG1 THR A 6 5.405 -10.574 -0.723 1.00 0.59 O ATOM 88 CG2 THR A 6 6.248 -10.521 -3.008 1.00 0.79 C ATOM 0 H THR A 6 5.500 -8.069 -0.445 1.00 0.36 H new ATOM 0 HA THR A 6 4.724 -8.445 -3.249 1.00 0.41 H new ATOM 0 HB THR A 6 4.213 -10.808 -2.420 1.00 0.56 H new ATOM 0 HG1 THR A 6 5.136 -9.849 -0.121 1.00 0.59 H new ATOM 0 HG21 THR A 6 6.512 -11.575 -2.920 1.00 0.79 H new ATOM 0 HG22 THR A 6 5.978 -10.300 -4.040 1.00 0.79 H new ATOM 0 HG23 THR A 6 7.101 -9.908 -2.717 1.00 0.79 H new ATOM 96 N THR A 7 2.287 -9.324 -2.164 1.00 0.33 N ATOM 97 CA THR A 7 0.875 -9.248 -1.773 1.00 0.32 C ATOM 98 C THR A 7 0.737 -9.188 -0.249 1.00 0.24 C ATOM 99 O THR A 7 0.159 -8.249 0.278 1.00 0.26 O ATOM 100 CB THR A 7 0.123 -10.490 -2.318 1.00 0.44 C ATOM 101 OG1 THR A 7 0.187 -10.502 -3.749 1.00 0.55 O ATOM 102 CG2 THR A 7 -1.337 -10.523 -1.871 1.00 0.55 C ATOM 0 H THR A 7 2.487 -10.077 -2.822 1.00 0.33 H new ATOM 0 HA THR A 7 0.443 -8.340 -2.194 1.00 0.32 H new ATOM 0 HB THR A 7 0.612 -11.375 -1.911 1.00 0.44 H new ATOM 0 HG1 THR A 7 -0.287 -11.288 -4.091 1.00 0.55 H new ATOM 0 HG21 THR A 7 -1.822 -11.411 -2.277 1.00 0.55 H new ATOM 0 HG22 THR A 7 -1.384 -10.550 -0.782 1.00 0.55 H new ATOM 0 HG23 THR A 7 -1.849 -9.632 -2.234 1.00 0.55 H new ATOM 110 N ASP A 8 1.321 -10.167 0.428 1.00 0.28 N ATOM 111 CA ASP A 8 1.270 -10.288 1.897 1.00 0.31 C ATOM 112 C ASP A 8 1.690 -9.000 2.612 1.00 0.24 C ATOM 113 O ASP A 8 1.002 -8.535 3.512 1.00 0.28 O ATOM 114 CB ASP A 8 2.155 -11.456 2.359 1.00 0.46 C ATOM 115 CG ASP A 8 2.197 -11.625 3.868 1.00 0.94 C ATOM 116 OD1 ASP A 8 1.270 -12.231 4.442 1.00 1.01 O ATOM 117 OD2 ASP A 8 3.179 -11.184 4.501 1.00 1.61 O ATOM 0 H ASP A 8 1.852 -10.913 -0.023 1.00 0.28 H new ATOM 0 HA ASP A 8 0.231 -10.479 2.165 1.00 0.31 H new ATOM 0 HB2 ASP A 8 1.790 -12.379 1.908 1.00 0.46 H new ATOM 0 HB3 ASP A 8 3.169 -11.301 1.990 1.00 0.46 H new ATOM 122 N ASP A 9 2.773 -8.400 2.154 1.00 0.24 N ATOM 123 CA ASP A 9 3.348 -7.198 2.785 1.00 0.28 C ATOM 124 C ASP A 9 2.415 -6.029 2.655 1.00 0.24 C ATOM 125 O ASP A 9 2.139 -5.323 3.630 1.00 0.30 O ATOM 126 CB ASP A 9 4.666 -6.816 2.125 1.00 0.38 C ATOM 127 CG ASP A 9 5.650 -7.952 2.092 1.00 1.05 C ATOM 128 OD1 ASP A 9 6.375 -8.164 3.076 1.00 1.12 O ATOM 129 OD2 ASP A 9 5.678 -8.673 1.077 1.00 1.78 O ATOM 0 H ASP A 9 3.288 -8.722 1.335 1.00 0.24 H new ATOM 0 HA ASP A 9 3.510 -7.436 3.836 1.00 0.28 H new ATOM 0 HB2 ASP A 9 4.473 -6.478 1.107 1.00 0.38 H new ATOM 0 HB3 ASP A 9 5.106 -5.975 2.662 1.00 0.38 H new ATOM 134 N LEU A 10 1.920 -5.832 1.456 1.00 0.19 N ATOM 135 CA LEU A 10 1.026 -4.737 1.175 1.00 0.23 C ATOM 136 C LEU A 10 -0.309 -4.978 1.874 1.00 0.24 C ATOM 137 O LEU A 10 -0.892 -4.066 2.451 1.00 0.30 O ATOM 138 CB LEU A 10 0.847 -4.581 -0.337 1.00 0.27 C ATOM 139 CG LEU A 10 0.034 -3.376 -0.813 1.00 0.38 C ATOM 140 CD1 LEU A 10 0.680 -2.072 -0.362 1.00 0.47 C ATOM 141 CD2 LEU A 10 -0.093 -3.401 -2.321 1.00 0.47 C ATOM 0 H LEU A 10 2.125 -6.424 0.651 1.00 0.19 H new ATOM 0 HA LEU A 10 1.449 -3.808 1.556 1.00 0.23 H new ATOM 0 HB2 LEU A 10 1.836 -4.525 -0.792 1.00 0.27 H new ATOM 0 HB3 LEU A 10 0.371 -5.484 -0.718 1.00 0.27 H new ATOM 0 HG LEU A 10 -0.960 -3.435 -0.369 1.00 0.38 H new ATOM 0 HD11 LEU A 10 0.083 -1.230 -0.713 1.00 0.47 H new ATOM 0 HD12 LEU A 10 0.734 -2.050 0.726 1.00 0.47 H new ATOM 0 HD13 LEU A 10 1.686 -2.002 -0.777 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -0.673 -2.540 -2.652 1.00 0.47 H new ATOM 0 HD22 LEU A 10 0.899 -3.364 -2.770 1.00 0.47 H new ATOM 0 HD23 LEU A 10 -0.597 -4.317 -2.629 1.00 0.47 H new ATOM 153 N ARG A 11 -0.765 -6.219 1.831 1.00 0.24 N ATOM 154 CA ARG A 11 -1.982 -6.644 2.501 1.00 0.30 C ATOM 155 C ARG A 11 -1.944 -6.290 3.990 1.00 0.33 C ATOM 156 O ARG A 11 -2.900 -5.758 4.508 1.00 0.38 O ATOM 157 CB ARG A 11 -2.221 -8.139 2.285 1.00 0.36 C ATOM 158 CG ARG A 11 -3.441 -8.687 2.981 1.00 0.51 C ATOM 159 CD ARG A 11 -3.606 -10.158 2.696 1.00 0.73 C ATOM 160 NE ARG A 11 -4.612 -10.751 3.563 1.00 0.97 N ATOM 161 CZ ARG A 11 -4.410 -11.822 4.318 1.00 1.30 C ATOM 162 NH1 ARG A 11 -3.355 -12.608 4.092 1.00 1.81 N ATOM 163 NH2 ARG A 11 -5.296 -12.143 5.246 1.00 1.98 N ATOM 0 H ARG A 11 -0.294 -6.968 1.324 1.00 0.24 H new ATOM 0 HA ARG A 11 -2.821 -6.105 2.061 1.00 0.30 H new ATOM 0 HB2 ARG A 11 -2.314 -8.328 1.215 1.00 0.36 H new ATOM 0 HB3 ARG A 11 -1.345 -8.687 2.631 1.00 0.36 H new ATOM 0 HG2 ARG A 11 -3.354 -8.528 4.056 1.00 0.51 H new ATOM 0 HG3 ARG A 11 -4.328 -8.146 2.650 1.00 0.51 H new ATOM 0 HD2 ARG A 11 -3.891 -10.300 1.654 1.00 0.73 H new ATOM 0 HD3 ARG A 11 -2.653 -10.668 2.838 1.00 0.73 H new ATOM 0 HE ARG A 11 -5.533 -10.314 3.592 1.00 0.97 H new ATOM 0 HH11 ARG A 11 -2.705 -12.385 3.339 1.00 1.81 H new ATOM 0 HH12 ARG A 11 -3.199 -13.432 4.673 1.00 1.81 H new ATOM 0 HH21 ARG A 11 -6.128 -11.568 5.377 1.00 1.98 H new ATOM 0 HH22 ARG A 11 -5.147 -12.966 5.830 1.00 1.98 H new ATOM 177 N ARG A 12 -0.805 -6.560 4.647 1.00 0.33 N ATOM 178 CA ARG A 12 -0.594 -6.221 6.079 1.00 0.39 C ATOM 179 C ARG A 12 -0.873 -4.746 6.339 1.00 0.39 C ATOM 180 O ARG A 12 -1.484 -4.373 7.352 1.00 0.48 O ATOM 181 CB ARG A 12 0.842 -6.543 6.495 1.00 0.49 C ATOM 182 CG ARG A 12 1.164 -8.019 6.520 1.00 0.77 C ATOM 183 CD ARG A 12 2.656 -8.262 6.648 1.00 0.90 C ATOM 184 NE ARG A 12 3.234 -7.682 7.866 1.00 1.28 N ATOM 185 CZ ARG A 12 4.515 -7.789 8.231 1.00 1.77 C ATOM 186 NH1 ARG A 12 5.384 -8.434 7.473 1.00 2.08 N ATOM 187 NH2 ARG A 12 4.912 -7.231 9.358 1.00 2.59 N ATOM 0 H ARG A 12 -0.004 -7.017 4.211 1.00 0.33 H new ATOM 0 HA ARG A 12 -1.289 -6.820 6.668 1.00 0.39 H new ATOM 0 HB2 ARG A 12 1.527 -6.045 5.809 1.00 0.49 H new ATOM 0 HB3 ARG A 12 1.023 -6.126 7.486 1.00 0.49 H new ATOM 0 HG2 ARG A 12 0.645 -8.491 7.354 1.00 0.77 H new ATOM 0 HG3 ARG A 12 0.795 -8.488 5.608 1.00 0.77 H new ATOM 0 HD2 ARG A 12 2.845 -9.336 6.640 1.00 0.90 H new ATOM 0 HD3 ARG A 12 3.162 -7.843 5.778 1.00 0.90 H new ATOM 0 HE ARG A 12 2.611 -7.158 8.480 1.00 1.28 H new ATOM 0 HH11 ARG A 12 5.080 -8.858 6.597 1.00 2.08 H new ATOM 0 HH12 ARG A 12 6.359 -8.508 7.764 1.00 2.08 H new ATOM 0 HH21 ARG A 12 4.244 -6.725 9.940 1.00 2.59 H new ATOM 0 HH22 ARG A 12 5.887 -7.305 9.648 1.00 2.59 H new ATOM 201 N ALA A 13 -0.441 -3.914 5.417 1.00 0.35 N ATOM 202 CA ALA A 13 -0.681 -2.501 5.505 1.00 0.41 C ATOM 203 C ALA A 13 -2.171 -2.222 5.380 1.00 0.42 C ATOM 204 O ALA A 13 -2.775 -1.657 6.302 1.00 0.50 O ATOM 205 CB ALA A 13 0.106 -1.761 4.448 1.00 0.48 C ATOM 0 H ALA A 13 0.084 -4.202 4.591 1.00 0.35 H new ATOM 0 HA ALA A 13 -0.344 -2.142 6.478 1.00 0.41 H new ATOM 0 HB1 ALA A 13 -0.089 -0.692 4.531 1.00 0.48 H new ATOM 0 HB2 ALA A 13 1.171 -1.948 4.590 1.00 0.48 H new ATOM 0 HB3 ALA A 13 -0.195 -2.109 3.460 1.00 0.48 H new ATOM 211 N LEU A 14 -2.776 -2.722 4.307 1.00 0.41 N ATOM 212 CA LEU A 14 -4.189 -2.476 4.038 1.00 0.49 C ATOM 213 C LEU A 14 -5.129 -3.077 5.086 1.00 0.55 C ATOM 214 O LEU A 14 -6.169 -2.512 5.353 1.00 0.72 O ATOM 215 CB LEU A 14 -4.628 -2.883 2.613 1.00 0.51 C ATOM 216 CG LEU A 14 -4.274 -1.932 1.450 1.00 0.52 C ATOM 217 CD1 LEU A 14 -2.792 -1.875 1.181 1.00 0.93 C ATOM 218 CD2 LEU A 14 -5.032 -2.323 0.197 1.00 0.92 C ATOM 0 H LEU A 14 -2.309 -3.301 3.609 1.00 0.41 H new ATOM 0 HA LEU A 14 -4.281 -1.392 4.108 1.00 0.49 H new ATOM 0 HB2 LEU A 14 -4.191 -3.857 2.394 1.00 0.51 H new ATOM 0 HB3 LEU A 14 -5.710 -3.014 2.621 1.00 0.51 H new ATOM 0 HG LEU A 14 -4.578 -0.930 1.752 1.00 0.52 H new ATOM 0 HD11 LEU A 14 -2.598 -1.192 0.354 1.00 0.93 H new ATOM 0 HD12 LEU A 14 -2.274 -1.522 2.072 1.00 0.93 H new ATOM 0 HD13 LEU A 14 -2.431 -2.870 0.922 1.00 0.93 H new ATOM 0 HD21 LEU A 14 -4.771 -1.642 -0.613 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -4.767 -3.342 -0.085 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -6.104 -2.266 0.387 1.00 0.92 H new ATOM 230 N VAL A 15 -4.771 -4.201 5.667 1.00 0.51 N ATOM 231 CA VAL A 15 -5.575 -4.803 6.740 1.00 0.60 C ATOM 232 C VAL A 15 -5.707 -3.817 7.909 1.00 0.58 C ATOM 233 O VAL A 15 -6.817 -3.526 8.387 1.00 0.66 O ATOM 234 CB VAL A 15 -4.947 -6.153 7.237 1.00 0.69 C ATOM 235 CG1 VAL A 15 -5.630 -6.652 8.502 1.00 0.81 C ATOM 236 CG2 VAL A 15 -5.068 -7.221 6.161 1.00 0.76 C ATOM 0 H VAL A 15 -3.931 -4.726 5.424 1.00 0.51 H new ATOM 0 HA VAL A 15 -6.565 -5.024 6.340 1.00 0.60 H new ATOM 0 HB VAL A 15 -3.897 -5.961 7.455 1.00 0.69 H new ATOM 0 HG11 VAL A 15 -5.170 -7.588 8.818 1.00 0.81 H new ATOM 0 HG12 VAL A 15 -5.521 -5.909 9.292 1.00 0.81 H new ATOM 0 HG13 VAL A 15 -6.689 -6.817 8.303 1.00 0.81 H new ATOM 0 HG21 VAL A 15 -4.628 -8.151 6.521 1.00 0.76 H new ATOM 0 HG22 VAL A 15 -6.120 -7.384 5.927 1.00 0.76 H new ATOM 0 HG23 VAL A 15 -4.543 -6.894 5.263 1.00 0.76 H new ATOM 246 N GLU A 16 -4.586 -3.284 8.346 1.00 0.55 N ATOM 247 CA GLU A 16 -4.575 -2.378 9.477 1.00 0.63 C ATOM 248 C GLU A 16 -5.094 -0.973 9.116 1.00 0.58 C ATOM 249 O GLU A 16 -5.606 -0.272 9.977 1.00 0.67 O ATOM 250 CB GLU A 16 -3.190 -2.330 10.125 1.00 0.82 C ATOM 251 CG GLU A 16 -2.700 -3.698 10.577 1.00 1.16 C ATOM 252 CD GLU A 16 -1.333 -3.679 11.221 1.00 1.67 C ATOM 253 OE1 GLU A 16 -0.321 -3.796 10.499 1.00 2.43 O ATOM 254 OE2 GLU A 16 -1.248 -3.613 12.461 1.00 1.83 O ATOM 0 H GLU A 16 -3.669 -3.462 7.936 1.00 0.55 H new ATOM 0 HA GLU A 16 -5.274 -2.774 10.214 1.00 0.63 H new ATOM 0 HB2 GLU A 16 -2.477 -1.910 9.415 1.00 0.82 H new ATOM 0 HB3 GLU A 16 -3.219 -1.658 10.983 1.00 0.82 H new ATOM 0 HG2 GLU A 16 -3.418 -4.114 11.284 1.00 1.16 H new ATOM 0 HG3 GLU A 16 -2.676 -4.367 9.716 1.00 1.16 H new ATOM 261 N SER A 17 -4.975 -0.562 7.851 1.00 0.52 N ATOM 262 CA SER A 17 -5.495 0.741 7.449 1.00 0.62 C ATOM 263 C SER A 17 -7.005 0.700 7.185 1.00 0.70 C ATOM 264 O SER A 17 -7.707 1.697 7.400 1.00 0.94 O ATOM 265 CB SER A 17 -4.701 1.333 6.280 1.00 0.67 C ATOM 266 OG SER A 17 -4.465 0.368 5.280 1.00 1.26 O ATOM 0 H SER A 17 -4.534 -1.100 7.105 1.00 0.52 H new ATOM 0 HA SER A 17 -5.355 1.420 8.290 1.00 0.62 H new ATOM 0 HB2 SER A 17 -5.249 2.174 5.855 1.00 0.67 H new ATOM 0 HB3 SER A 17 -3.750 1.723 6.644 1.00 0.67 H new ATOM 0 HG SER A 17 -3.959 0.775 4.546 1.00 1.26 H new ATOM 272 N ALA A 18 -7.501 -0.452 6.723 1.00 0.61 N ATOM 273 CA ALA A 18 -8.937 -0.653 6.547 1.00 0.79 C ATOM 274 C ALA A 18 -9.561 -0.845 7.913 1.00 0.97 C ATOM 275 O ALA A 18 -10.683 -0.417 8.176 1.00 1.23 O ATOM 276 CB ALA A 18 -9.219 -1.872 5.661 1.00 0.82 C ATOM 0 H ALA A 18 -6.928 -1.256 6.466 1.00 0.61 H new ATOM 0 HA ALA A 18 -9.367 0.218 6.053 1.00 0.79 H new ATOM 0 HB1 ALA A 18 -10.296 -1.998 5.547 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -8.765 -1.722 4.681 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -8.797 -2.764 6.124 1.00 0.82 H new ATOM 282 N GLY A 19 -8.827 -1.521 8.772 1.00 1.02 N ATOM 283 CA GLY A 19 -9.240 -1.702 10.133 1.00 1.29 C ATOM 284 C GLY A 19 -9.994 -2.987 10.339 1.00 1.50 C ATOM 285 O GLY A 19 -9.657 -3.785 11.215 1.00 2.02 O ATOM 0 H GLY A 19 -7.933 -1.955 8.541 1.00 1.02 H new ATOM 0 HA2 GLY A 19 -8.363 -1.691 10.780 1.00 1.29 H new ATOM 0 HA3 GLY A 19 -9.868 -0.863 10.433 1.00 1.29 H new ATOM 289 N GLU A 20 -10.974 -3.217 9.507 1.00 1.87 N ATOM 290 CA GLU A 20 -11.859 -4.378 9.597 1.00 2.49 C ATOM 291 C GLU A 20 -11.193 -5.618 9.002 1.00 2.35 C ATOM 292 O GLU A 20 -11.835 -6.385 8.270 1.00 2.86 O ATOM 293 CB GLU A 20 -13.126 -4.074 8.819 1.00 3.34 C ATOM 294 CG GLU A 20 -13.771 -2.768 9.201 1.00 3.88 C ATOM 295 CD GLU A 20 -14.991 -2.483 8.390 1.00 4.57 C ATOM 296 OE1 GLU A 20 -14.917 -2.550 7.152 1.00 5.20 O ATOM 297 OE2 GLU A 20 -16.064 -2.242 8.975 1.00 4.79 O ATOM 0 H GLU A 20 -11.195 -2.598 8.727 1.00 1.87 H new ATOM 0 HA GLU A 20 -12.083 -4.577 10.645 1.00 2.49 H new ATOM 0 HB2 GLU A 20 -12.893 -4.056 7.754 1.00 3.34 H new ATOM 0 HB3 GLU A 20 -13.841 -4.882 8.976 1.00 3.34 H new ATOM 0 HG2 GLU A 20 -14.037 -2.791 10.258 1.00 3.88 H new ATOM 0 HG3 GLU A 20 -13.053 -1.958 9.071 1.00 3.88 H new ATOM 304 N THR A 21 -9.933 -5.848 9.376 1.00 2.33 N ATOM 305 CA THR A 21 -9.114 -6.930 8.855 1.00 2.61 C ATOM 306 C THR A 21 -9.111 -6.879 7.324 1.00 2.41 C ATOM 307 O THR A 21 -8.937 -5.796 6.745 1.00 3.04 O ATOM 308 CB THR A 21 -9.538 -8.332 9.443 1.00 3.66 C ATOM 309 OG1 THR A 21 -10.915 -8.648 9.160 1.00 4.09 O ATOM 310 CG2 THR A 21 -9.333 -8.351 10.950 1.00 4.35 C ATOM 0 H THR A 21 -9.449 -5.272 10.064 1.00 2.33 H new ATOM 0 HA THR A 21 -8.085 -6.793 9.188 1.00 2.61 H new ATOM 0 HB THR A 21 -8.908 -9.081 8.962 1.00 3.66 H new ATOM 0 HG1 THR A 21 -11.257 -8.035 8.476 1.00 4.09 H new ATOM 0 HG21 THR A 21 -9.629 -9.323 11.345 1.00 4.35 H new ATOM 0 HG22 THR A 21 -8.282 -8.172 11.177 1.00 4.35 H new ATOM 0 HG23 THR A 21 -9.941 -7.572 11.410 1.00 4.35 H new ATOM 318 N ASP A 22 -9.276 -7.993 6.677 1.00 2.19 N ATOM 319 CA ASP A 22 -9.461 -7.989 5.236 1.00 2.51 C ATOM 320 C ASP A 22 -10.880 -7.528 4.955 1.00 2.23 C ATOM 321 O ASP A 22 -11.808 -8.356 4.886 1.00 2.75 O ATOM 322 CB ASP A 22 -9.263 -9.375 4.599 1.00 3.10 C ATOM 323 CG ASP A 22 -7.869 -9.960 4.721 1.00 3.82 C ATOM 324 OD1 ASP A 22 -7.506 -10.431 5.807 1.00 4.46 O ATOM 325 OD2 ASP A 22 -7.077 -9.889 3.743 1.00 4.16 O ATOM 0 H ASP A 22 -9.288 -8.917 7.110 1.00 2.19 H new ATOM 0 HA ASP A 22 -8.712 -7.326 4.803 1.00 2.51 H new ATOM 0 HB2 ASP A 22 -9.970 -10.069 5.055 1.00 3.10 H new ATOM 0 HB3 ASP A 22 -9.518 -9.309 3.541 1.00 3.10 H new ATOM 330 N GLY A 23 -11.061 -6.212 4.921 1.00 2.01 N ATOM 331 CA GLY A 23 -12.366 -5.613 4.683 1.00 2.24 C ATOM 332 C GLY A 23 -12.925 -6.044 3.362 1.00 1.82 C ATOM 333 O GLY A 23 -14.008 -6.622 3.287 1.00 2.14 O ATOM 0 H GLY A 23 -10.310 -5.535 5.057 1.00 2.01 H new ATOM 0 HA2 GLY A 23 -13.051 -5.898 5.481 1.00 2.24 H new ATOM 0 HA3 GLY A 23 -12.281 -4.527 4.708 1.00 2.24 H new ATOM 337 N THR A 24 -12.190 -5.778 2.333 1.00 1.57 N ATOM 338 CA THR A 24 -12.519 -6.229 1.028 1.00 1.43 C ATOM 339 C THR A 24 -11.718 -7.517 0.724 1.00 1.45 C ATOM 340 O THR A 24 -11.148 -8.111 1.659 1.00 1.91 O ATOM 341 CB THR A 24 -12.286 -5.091 0.026 1.00 1.62 C ATOM 342 OG1 THR A 24 -11.153 -4.302 0.467 1.00 2.20 O ATOM 343 CG2 THR A 24 -13.521 -4.208 -0.049 1.00 1.81 C ATOM 0 H THR A 24 -11.330 -5.232 2.380 1.00 1.57 H new ATOM 0 HA THR A 24 -13.573 -6.494 0.946 1.00 1.43 H new ATOM 0 HB THR A 24 -12.087 -5.508 -0.961 1.00 1.62 H new ATOM 0 HG1 THR A 24 -11.373 -3.349 0.404 1.00 2.20 H new ATOM 0 HG21 THR A 24 -13.349 -3.402 -0.762 1.00 1.81 H new ATOM 0 HG22 THR A 24 -14.375 -4.803 -0.373 1.00 1.81 H new ATOM 0 HG23 THR A 24 -13.726 -3.785 0.934 1.00 1.81 H new ATOM 351 N ASP A 25 -11.644 -7.967 -0.514 1.00 1.48 N ATOM 352 CA ASP A 25 -10.914 -9.207 -0.767 1.00 1.62 C ATOM 353 C ASP A 25 -9.425 -8.994 -0.981 1.00 1.23 C ATOM 354 O ASP A 25 -8.928 -8.864 -2.093 1.00 1.29 O ATOM 355 CB ASP A 25 -11.578 -10.187 -1.794 1.00 2.15 C ATOM 356 CG ASP A 25 -11.644 -9.735 -3.243 1.00 2.70 C ATOM 357 OD1 ASP A 25 -12.391 -8.776 -3.536 1.00 3.20 O ATOM 358 OD2 ASP A 25 -10.878 -10.250 -4.086 1.00 3.10 O ATOM 0 H ASP A 25 -12.058 -7.520 -1.332 1.00 1.48 H new ATOM 0 HA ASP A 25 -10.999 -9.755 0.172 1.00 1.62 H new ATOM 0 HB2 ASP A 25 -11.035 -11.131 -1.759 1.00 2.15 H new ATOM 0 HB3 ASP A 25 -12.594 -10.391 -1.457 1.00 2.15 H new ATOM 363 N LEU A 26 -8.730 -8.912 0.134 1.00 1.06 N ATOM 364 CA LEU A 26 -7.286 -8.734 0.167 1.00 0.81 C ATOM 365 C LEU A 26 -6.587 -10.068 0.195 1.00 0.84 C ATOM 366 O LEU A 26 -5.417 -10.175 -0.172 1.00 1.12 O ATOM 367 CB LEU A 26 -6.837 -7.910 1.387 1.00 0.93 C ATOM 368 CG LEU A 26 -6.964 -6.378 1.335 1.00 0.93 C ATOM 369 CD1 LEU A 26 -8.380 -5.924 1.056 1.00 1.12 C ATOM 370 CD2 LEU A 26 -6.485 -5.796 2.646 1.00 1.24 C ATOM 0 H LEU A 26 -9.155 -8.968 1.059 1.00 1.06 H new ATOM 0 HA LEU A 26 -7.014 -8.191 -0.738 1.00 0.81 H new ATOM 0 HB2 LEU A 26 -7.406 -8.259 2.248 1.00 0.93 H new ATOM 0 HB3 LEU A 26 -5.791 -8.148 1.579 1.00 0.93 H new ATOM 0 HG LEU A 26 -6.347 -6.020 0.511 1.00 0.93 H new ATOM 0 HD11 LEU A 26 -8.414 -4.835 1.030 1.00 1.12 H new ATOM 0 HD12 LEU A 26 -8.707 -6.321 0.095 1.00 1.12 H new ATOM 0 HD13 LEU A 26 -9.041 -6.289 1.842 1.00 1.12 H new ATOM 0 HD21 LEU A 26 -6.572 -4.710 2.616 1.00 1.24 H new ATOM 0 HD22 LEU A 26 -7.094 -6.186 3.461 1.00 1.24 H new ATOM 0 HD23 LEU A 26 -5.443 -6.072 2.807 1.00 1.24 H new ATOM 382 N SER A 27 -7.287 -11.087 0.638 1.00 0.86 N ATOM 383 CA SER A 27 -6.710 -12.398 0.688 1.00 0.94 C ATOM 384 C SER A 27 -6.809 -13.034 -0.690 1.00 1.11 C ATOM 385 O SER A 27 -7.832 -13.638 -1.045 1.00 1.82 O ATOM 386 CB SER A 27 -7.399 -13.260 1.732 1.00 1.29 C ATOM 387 OG SER A 27 -7.445 -12.611 3.001 1.00 1.78 O ATOM 0 H SER A 27 -8.251 -11.028 0.966 1.00 0.86 H new ATOM 0 HA SER A 27 -5.662 -12.317 0.977 1.00 0.94 H new ATOM 0 HB2 SER A 27 -8.412 -13.490 1.403 1.00 1.29 H new ATOM 0 HB3 SER A 27 -6.871 -14.209 1.827 1.00 1.29 H new ATOM 0 HG SER A 27 -7.129 -11.688 2.908 1.00 1.78 H new ATOM 393 N GLY A 28 -5.795 -12.794 -1.477 1.00 1.06 N ATOM 394 CA GLY A 28 -5.725 -13.281 -2.809 1.00 1.30 C ATOM 395 C GLY A 28 -5.050 -12.250 -3.665 1.00 1.12 C ATOM 396 O GLY A 28 -4.181 -11.515 -3.179 1.00 1.42 O ATOM 0 H GLY A 28 -4.984 -12.243 -1.195 1.00 1.06 H new ATOM 0 HA2 GLY A 28 -5.170 -14.219 -2.839 1.00 1.30 H new ATOM 0 HA3 GLY A 28 -6.726 -13.490 -3.188 1.00 1.30 H new ATOM 400 N ASP A 29 -5.457 -12.135 -4.893 1.00 1.15 N ATOM 401 CA ASP A 29 -4.862 -11.161 -5.776 1.00 1.06 C ATOM 402 C ASP A 29 -5.619 -9.859 -5.725 1.00 0.95 C ATOM 403 O ASP A 29 -6.524 -9.595 -6.525 1.00 1.46 O ATOM 404 CB ASP A 29 -4.726 -11.660 -7.214 1.00 1.33 C ATOM 405 CG ASP A 29 -4.159 -10.595 -8.129 1.00 1.79 C ATOM 406 OD1 ASP A 29 -3.099 -10.014 -7.809 1.00 2.27 O ATOM 407 OD2 ASP A 29 -4.783 -10.296 -9.168 1.00 2.15 O ATOM 0 H ASP A 29 -6.197 -12.699 -5.312 1.00 1.15 H new ATOM 0 HA ASP A 29 -3.848 -10.992 -5.413 1.00 1.06 H new ATOM 0 HB2 ASP A 29 -4.080 -12.538 -7.234 1.00 1.33 H new ATOM 0 HB3 ASP A 29 -5.702 -11.974 -7.583 1.00 1.33 H new ATOM 412 N PHE A 30 -5.332 -9.087 -4.711 1.00 0.50 N ATOM 413 CA PHE A 30 -5.954 -7.793 -4.572 1.00 0.39 C ATOM 414 C PHE A 30 -5.165 -6.740 -5.350 1.00 0.32 C ATOM 415 O PHE A 30 -5.620 -5.637 -5.528 1.00 0.31 O ATOM 416 CB PHE A 30 -6.124 -7.391 -3.088 1.00 0.39 C ATOM 417 CG PHE A 30 -4.869 -6.947 -2.382 1.00 0.38 C ATOM 418 CD1 PHE A 30 -3.920 -7.880 -1.997 1.00 0.47 C ATOM 419 CD2 PHE A 30 -4.632 -5.615 -2.115 1.00 0.41 C ATOM 420 CE1 PHE A 30 -2.767 -7.491 -1.356 1.00 0.55 C ATOM 421 CE2 PHE A 30 -3.478 -5.224 -1.474 1.00 0.48 C ATOM 422 CZ PHE A 30 -2.580 -6.103 -1.072 1.00 0.53 C ATOM 0 H PHE A 30 -4.674 -9.328 -3.970 1.00 0.50 H new ATOM 0 HA PHE A 30 -6.956 -7.855 -4.996 1.00 0.39 H new ATOM 0 HB2 PHE A 30 -6.855 -6.585 -3.031 1.00 0.39 H new ATOM 0 HB3 PHE A 30 -6.542 -8.240 -2.547 1.00 0.39 H new ATOM 0 HD1 PHE A 30 -4.088 -8.927 -2.203 1.00 0.47 H new ATOM 0 HD2 PHE A 30 -5.358 -4.872 -2.411 1.00 0.41 H new ATOM 0 HE1 PHE A 30 -2.020 -8.218 -1.074 1.00 0.55 H new ATOM 0 HE2 PHE A 30 -3.304 -4.173 -1.296 1.00 0.48 H new ATOM 0 HZ PHE A 30 -1.706 -5.774 -0.530 1.00 0.53 H new ATOM 432 N LEU A 31 -3.959 -7.118 -5.807 1.00 0.33 N ATOM 433 CA LEU A 31 -3.046 -6.210 -6.536 1.00 0.32 C ATOM 434 C LEU A 31 -3.705 -5.566 -7.755 1.00 0.28 C ATOM 435 O LEU A 31 -3.358 -4.442 -8.135 1.00 0.33 O ATOM 436 CB LEU A 31 -1.757 -6.919 -6.969 1.00 0.41 C ATOM 437 CG LEU A 31 -0.980 -7.671 -5.880 1.00 0.61 C ATOM 438 CD1 LEU A 31 0.274 -8.295 -6.466 1.00 1.29 C ATOM 439 CD2 LEU A 31 -0.628 -6.752 -4.715 1.00 0.98 C ATOM 0 H LEU A 31 -3.587 -8.060 -5.684 1.00 0.33 H new ATOM 0 HA LEU A 31 -2.795 -5.421 -5.827 1.00 0.32 H new ATOM 0 HB2 LEU A 31 -2.008 -7.628 -7.758 1.00 0.41 H new ATOM 0 HB3 LEU A 31 -1.092 -6.176 -7.409 1.00 0.41 H new ATOM 0 HG LEU A 31 -1.620 -8.464 -5.494 1.00 0.61 H new ATOM 0 HD11 LEU A 31 0.816 -8.826 -5.683 1.00 1.29 H new ATOM 0 HD12 LEU A 31 -0.002 -8.995 -7.254 1.00 1.29 H new ATOM 0 HD13 LEU A 31 0.910 -7.513 -6.882 1.00 1.29 H new ATOM 0 HD21 LEU A 31 -0.078 -7.315 -3.961 1.00 0.98 H new ATOM 0 HD22 LEU A 31 -0.011 -5.929 -5.075 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -1.543 -6.355 -4.276 1.00 0.98 H new ATOM 451 N ASP A 32 -4.644 -6.274 -8.350 1.00 0.32 N ATOM 452 CA ASP A 32 -5.323 -5.812 -9.558 1.00 0.43 C ATOM 453 C ASP A 32 -6.616 -5.090 -9.204 1.00 0.36 C ATOM 454 O ASP A 32 -7.150 -4.312 -9.993 1.00 0.42 O ATOM 455 CB ASP A 32 -5.621 -7.015 -10.460 1.00 0.69 C ATOM 456 CG ASP A 32 -6.226 -6.646 -11.799 1.00 1.22 C ATOM 457 OD1 ASP A 32 -5.489 -6.175 -12.705 1.00 1.74 O ATOM 458 OD2 ASP A 32 -7.463 -6.741 -11.942 1.00 1.99 O ATOM 0 H ASP A 32 -4.962 -7.184 -8.016 1.00 0.32 H new ATOM 0 HA ASP A 32 -4.676 -5.111 -10.085 1.00 0.43 H new ATOM 0 HB2 ASP A 32 -4.696 -7.566 -10.630 1.00 0.69 H new ATOM 0 HB3 ASP A 32 -6.302 -7.688 -9.938 1.00 0.69 H new ATOM 463 N LEU A 33 -7.071 -5.299 -7.991 1.00 0.32 N ATOM 464 CA LEU A 33 -8.306 -4.716 -7.518 1.00 0.33 C ATOM 465 C LEU A 33 -8.018 -3.298 -7.118 1.00 0.31 C ATOM 466 O LEU A 33 -7.214 -3.054 -6.237 1.00 0.45 O ATOM 467 CB LEU A 33 -8.838 -5.500 -6.330 1.00 0.40 C ATOM 468 CG LEU A 33 -9.019 -6.997 -6.550 1.00 0.47 C ATOM 469 CD1 LEU A 33 -9.567 -7.633 -5.306 1.00 0.57 C ATOM 470 CD2 LEU A 33 -9.921 -7.276 -7.743 1.00 0.58 C ATOM 0 H LEU A 33 -6.594 -5.880 -7.302 1.00 0.32 H new ATOM 0 HA LEU A 33 -9.063 -4.743 -8.302 1.00 0.33 H new ATOM 0 HB2 LEU A 33 -8.159 -5.355 -5.490 1.00 0.40 H new ATOM 0 HB3 LEU A 33 -9.799 -5.076 -6.040 1.00 0.40 H new ATOM 0 HG LEU A 33 -8.044 -7.433 -6.770 1.00 0.47 H new ATOM 0 HD11 LEU A 33 -9.694 -8.703 -5.470 1.00 0.57 H new ATOM 0 HD12 LEU A 33 -8.874 -7.472 -4.480 1.00 0.57 H new ATOM 0 HD13 LEU A 33 -10.531 -7.186 -5.063 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -10.030 -8.353 -7.873 1.00 0.58 H new ATOM 0 HD22 LEU A 33 -10.901 -6.830 -7.570 1.00 0.58 H new ATOM 0 HD23 LEU A 33 -9.480 -6.845 -8.642 1.00 0.58 H new ATOM 482 N ARG A 34 -8.679 -2.379 -7.741 1.00 0.28 N ATOM 483 CA ARG A 34 -8.334 -0.984 -7.617 1.00 0.31 C ATOM 484 C ARG A 34 -8.755 -0.416 -6.282 1.00 0.29 C ATOM 485 O ARG A 34 -9.807 -0.785 -5.743 1.00 0.34 O ATOM 486 CB ARG A 34 -8.964 -0.181 -8.742 1.00 0.48 C ATOM 487 CG ARG A 34 -8.754 -0.788 -10.113 1.00 0.73 C ATOM 488 CD ARG A 34 -9.128 0.177 -11.206 1.00 1.02 C ATOM 489 NE ARG A 34 -10.457 0.769 -11.033 1.00 1.90 N ATOM 490 CZ ARG A 34 -10.942 1.747 -11.795 1.00 2.41 C ATOM 491 NH1 ARG A 34 -10.323 2.092 -12.917 1.00 2.17 N ATOM 492 NH2 ARG A 34 -12.071 2.327 -11.461 1.00 3.51 N ATOM 0 H ARG A 34 -9.474 -2.564 -8.352 1.00 0.28 H new ATOM 0 HA ARG A 34 -7.248 -0.911 -7.683 1.00 0.31 H new ATOM 0 HB2 ARG A 34 -10.034 -0.088 -8.555 1.00 0.48 H new ATOM 0 HB3 ARG A 34 -8.550 0.827 -8.733 1.00 0.48 H new ATOM 0 HG2 ARG A 34 -7.710 -1.081 -10.226 1.00 0.73 H new ATOM 0 HG3 ARG A 34 -9.352 -1.695 -10.206 1.00 0.73 H new ATOM 0 HD2 ARG A 34 -8.386 0.974 -11.245 1.00 1.02 H new ATOM 0 HD3 ARG A 34 -9.091 -0.340 -12.165 1.00 1.02 H new ATOM 0 HE ARG A 34 -11.047 0.410 -10.283 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -9.471 1.607 -13.199 1.00 2.17 H new ATOM 0 HH12 ARG A 34 -10.699 2.842 -13.497 1.00 2.17 H new ATOM 0 HH21 ARG A 34 -12.570 2.028 -10.623 1.00 3.51 H new ATOM 0 HH22 ARG A 34 -12.450 3.077 -12.039 1.00 3.51 H new ATOM 506 N PHE A 35 -7.919 0.479 -5.753 1.00 0.30 N ATOM 507 CA PHE A 35 -8.160 1.154 -4.481 1.00 0.34 C ATOM 508 C PHE A 35 -9.571 1.731 -4.377 1.00 0.38 C ATOM 509 O PHE A 35 -10.251 1.522 -3.362 1.00 0.41 O ATOM 510 CB PHE A 35 -7.109 2.230 -4.194 1.00 0.38 C ATOM 511 CG PHE A 35 -5.741 1.693 -3.854 1.00 0.37 C ATOM 512 CD1 PHE A 35 -5.499 1.120 -2.613 1.00 0.39 C ATOM 513 CD2 PHE A 35 -4.701 1.778 -4.753 1.00 0.40 C ATOM 514 CE1 PHE A 35 -4.246 0.642 -2.285 1.00 0.42 C ATOM 515 CE2 PHE A 35 -3.446 1.309 -4.430 1.00 0.44 C ATOM 516 CZ PHE A 35 -3.219 0.738 -3.194 1.00 0.44 C ATOM 0 H PHE A 35 -7.047 0.757 -6.202 1.00 0.30 H new ATOM 0 HA PHE A 35 -8.070 0.384 -3.714 1.00 0.34 H new ATOM 0 HB2 PHE A 35 -7.024 2.879 -5.066 1.00 0.38 H new ATOM 0 HB3 PHE A 35 -7.458 2.850 -3.368 1.00 0.38 H new ATOM 0 HD1 PHE A 35 -6.302 1.047 -1.894 1.00 0.39 H new ATOM 0 HD2 PHE A 35 -4.871 2.218 -5.724 1.00 0.40 H new ATOM 0 HE1 PHE A 35 -4.073 0.194 -1.318 1.00 0.42 H new ATOM 0 HE2 PHE A 35 -2.640 1.388 -5.144 1.00 0.44 H new ATOM 0 HZ PHE A 35 -2.237 0.367 -2.941 1.00 0.44 H new ATOM 526 N GLU A 36 -10.025 2.408 -5.435 1.00 0.44 N ATOM 527 CA GLU A 36 -11.371 2.997 -5.473 1.00 0.52 C ATOM 528 C GLU A 36 -12.446 1.952 -5.177 1.00 0.52 C ATOM 529 O GLU A 36 -13.438 2.238 -4.503 1.00 0.58 O ATOM 530 CB GLU A 36 -11.677 3.639 -6.833 1.00 0.64 C ATOM 531 CG GLU A 36 -10.756 4.773 -7.234 1.00 1.23 C ATOM 532 CD GLU A 36 -11.190 5.433 -8.522 1.00 1.60 C ATOM 533 OE1 GLU A 36 -10.977 4.845 -9.595 1.00 1.97 O ATOM 534 OE2 GLU A 36 -11.753 6.552 -8.493 1.00 2.06 O ATOM 0 H GLU A 36 -9.479 2.564 -6.282 1.00 0.44 H new ATOM 0 HA GLU A 36 -11.386 3.767 -4.702 1.00 0.52 H new ATOM 0 HB2 GLU A 36 -11.630 2.866 -7.600 1.00 0.64 H new ATOM 0 HB3 GLU A 36 -12.701 4.012 -6.818 1.00 0.64 H new ATOM 0 HG2 GLU A 36 -10.730 5.517 -6.438 1.00 1.23 H new ATOM 0 HG3 GLU A 36 -9.741 4.392 -7.347 1.00 1.23 H new ATOM 541 N ASP A 37 -12.223 0.738 -5.632 1.00 0.49 N ATOM 542 CA ASP A 37 -13.209 -0.321 -5.501 1.00 0.55 C ATOM 543 C ASP A 37 -13.080 -1.037 -4.163 1.00 0.55 C ATOM 544 O ASP A 37 -14.060 -1.546 -3.624 1.00 0.66 O ATOM 545 CB ASP A 37 -13.076 -1.327 -6.644 1.00 0.62 C ATOM 546 CG ASP A 37 -14.249 -2.274 -6.720 1.00 0.74 C ATOM 547 OD1 ASP A 37 -15.302 -1.912 -7.271 1.00 0.92 O ATOM 548 OD2 ASP A 37 -14.130 -3.416 -6.214 1.00 0.86 O ATOM 0 H ASP A 37 -11.362 0.455 -6.100 1.00 0.49 H new ATOM 0 HA ASP A 37 -14.195 0.142 -5.548 1.00 0.55 H new ATOM 0 HB2 ASP A 37 -12.985 -0.790 -7.588 1.00 0.62 H new ATOM 0 HB3 ASP A 37 -12.158 -1.900 -6.514 1.00 0.62 H new ATOM 553 N ILE A 38 -11.887 -1.029 -3.590 1.00 0.47 N ATOM 554 CA ILE A 38 -11.654 -1.751 -2.336 1.00 0.51 C ATOM 555 C ILE A 38 -11.828 -0.870 -1.100 1.00 0.53 C ATOM 556 O ILE A 38 -11.531 -1.298 0.025 1.00 0.59 O ATOM 557 CB ILE A 38 -10.276 -2.468 -2.273 1.00 0.50 C ATOM 558 CG1 ILE A 38 -9.125 -1.461 -2.429 1.00 0.44 C ATOM 559 CG2 ILE A 38 -10.196 -3.568 -3.322 1.00 0.56 C ATOM 560 CD1 ILE A 38 -7.739 -2.068 -2.353 1.00 0.47 C ATOM 0 H ILE A 38 -11.072 -0.540 -3.961 1.00 0.47 H new ATOM 0 HA ILE A 38 -12.428 -2.518 -2.328 1.00 0.51 H new ATOM 0 HB ILE A 38 -10.176 -2.932 -1.292 1.00 0.50 H new ATOM 0 HG12 ILE A 38 -9.232 -0.953 -3.387 1.00 0.44 H new ATOM 0 HG13 ILE A 38 -9.217 -0.701 -1.653 1.00 0.44 H new ATOM 0 HG21 ILE A 38 -9.224 -4.058 -3.262 1.00 0.56 H new ATOM 0 HG22 ILE A 38 -10.983 -4.300 -3.142 1.00 0.56 H new ATOM 0 HG23 ILE A 38 -10.323 -3.135 -4.314 1.00 0.56 H new ATOM 0 HD11 ILE A 38 -6.991 -1.284 -2.473 1.00 0.47 H new ATOM 0 HD12 ILE A 38 -7.606 -2.551 -1.385 1.00 0.47 H new ATOM 0 HD13 ILE A 38 -7.621 -2.806 -3.146 1.00 0.47 H new ATOM 572 N GLY A 39 -12.368 0.315 -1.306 1.00 0.54 N ATOM 573 CA GLY A 39 -12.655 1.212 -0.202 1.00 0.61 C ATOM 574 C GLY A 39 -11.490 2.108 0.173 1.00 0.55 C ATOM 575 O GLY A 39 -11.334 2.477 1.337 1.00 0.69 O ATOM 0 H GLY A 39 -12.617 0.679 -2.226 1.00 0.54 H new ATOM 0 HA2 GLY A 39 -13.511 1.834 -0.464 1.00 0.61 H new ATOM 0 HA3 GLY A 39 -12.944 0.622 0.668 1.00 0.61 H new ATOM 579 N TYR A 40 -10.663 2.442 -0.789 1.00 0.45 N ATOM 580 CA TYR A 40 -9.533 3.312 -0.561 1.00 0.48 C ATOM 581 C TYR A 40 -9.643 4.581 -1.374 1.00 0.56 C ATOM 582 O TYR A 40 -9.586 4.559 -2.598 1.00 0.64 O ATOM 583 CB TYR A 40 -8.207 2.583 -0.803 1.00 0.43 C ATOM 584 CG TYR A 40 -7.759 1.765 0.382 1.00 0.55 C ATOM 585 CD1 TYR A 40 -8.446 0.628 0.788 1.00 0.73 C ATOM 586 CD2 TYR A 40 -6.663 2.158 1.114 1.00 0.74 C ATOM 587 CE1 TYR A 40 -8.048 -0.078 1.901 1.00 1.00 C ATOM 588 CE2 TYR A 40 -6.250 1.457 2.214 1.00 0.99 C ATOM 589 CZ TYR A 40 -6.943 0.349 2.609 1.00 1.11 C ATOM 590 OH TYR A 40 -6.545 -0.322 3.728 1.00 1.40 O ATOM 0 H TYR A 40 -10.754 2.118 -1.752 1.00 0.45 H new ATOM 0 HA TYR A 40 -9.545 3.605 0.489 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -8.311 1.930 -1.670 1.00 0.43 H new ATOM 0 HB3 TYR A 40 -7.436 3.314 -1.045 1.00 0.43 H new ATOM 0 HD1 TYR A 40 -9.304 0.293 0.223 1.00 0.73 H new ATOM 0 HD2 TYR A 40 -6.116 3.040 0.814 1.00 0.74 H new ATOM 0 HE1 TYR A 40 -8.594 -0.955 2.216 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -5.380 1.779 2.767 1.00 0.99 H new ATOM 0 HH TYR A 40 -5.741 0.101 4.095 1.00 1.40 H new ATOM 600 N ASP A 41 -9.826 5.674 -0.673 1.00 0.74 N ATOM 601 CA ASP A 41 -9.998 6.987 -1.283 1.00 0.95 C ATOM 602 C ASP A 41 -8.692 7.722 -1.329 1.00 1.01 C ATOM 603 O ASP A 41 -8.263 8.191 -2.390 1.00 1.89 O ATOM 604 CB ASP A 41 -10.950 7.840 -0.450 1.00 1.15 C ATOM 605 CG ASP A 41 -12.340 7.278 -0.329 1.00 1.57 C ATOM 606 OD1 ASP A 41 -12.596 6.495 0.603 1.00 2.16 O ATOM 607 OD2 ASP A 41 -13.204 7.623 -1.160 1.00 2.07 O ATOM 0 H ASP A 41 -9.861 5.686 0.346 1.00 0.74 H new ATOM 0 HA ASP A 41 -10.391 6.827 -2.287 1.00 0.95 H new ATOM 0 HB2 ASP A 41 -10.531 7.961 0.549 1.00 1.15 H new ATOM 0 HB3 ASP A 41 -11.010 8.834 -0.893 1.00 1.15 H new ATOM 612 N SER A 42 -8.038 7.782 -0.168 1.00 0.71 N ATOM 613 CA SER A 42 -6.848 8.584 0.027 1.00 0.66 C ATOM 614 C SER A 42 -6.390 8.498 1.470 1.00 0.49 C ATOM 615 O SER A 42 -5.273 8.110 1.722 1.00 0.45 O ATOM 616 CB SER A 42 -7.155 10.050 -0.315 1.00 0.86 C ATOM 617 OG SER A 42 -6.040 10.927 -0.019 1.00 1.19 O ATOM 0 H SER A 42 -8.328 7.269 0.664 1.00 0.71 H new ATOM 0 HA SER A 42 -6.059 8.207 -0.624 1.00 0.66 H new ATOM 0 HB2 SER A 42 -7.406 10.129 -1.373 1.00 0.86 H new ATOM 0 HB3 SER A 42 -8.031 10.376 0.246 1.00 0.86 H new ATOM 622 N LEU A 43 -7.285 8.757 2.416 1.00 0.49 N ATOM 623 CA LEU A 43 -6.898 8.824 3.827 1.00 0.49 C ATOM 624 C LEU A 43 -6.370 7.485 4.325 1.00 0.42 C ATOM 625 O LEU A 43 -5.292 7.422 4.918 1.00 0.41 O ATOM 626 CB LEU A 43 -8.067 9.304 4.694 1.00 0.65 C ATOM 627 CG LEU A 43 -8.603 10.705 4.390 1.00 0.79 C ATOM 628 CD1 LEU A 43 -9.786 11.030 5.286 1.00 1.12 C ATOM 629 CD2 LEU A 43 -7.508 11.745 4.565 1.00 1.03 C ATOM 0 H LEU A 43 -8.276 8.923 2.238 1.00 0.49 H new ATOM 0 HA LEU A 43 -6.090 9.551 3.911 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -8.887 8.593 4.588 1.00 0.65 H new ATOM 0 HB3 LEU A 43 -7.754 9.276 5.738 1.00 0.65 H new ATOM 0 HG LEU A 43 -8.938 10.725 3.353 1.00 0.79 H new ATOM 0 HD11 LEU A 43 -10.153 12.030 5.055 1.00 1.12 H new ATOM 0 HD12 LEU A 43 -10.581 10.303 5.117 1.00 1.12 H new ATOM 0 HD13 LEU A 43 -9.474 10.990 6.330 1.00 1.12 H new ATOM 0 HD21 LEU A 43 -7.908 12.735 4.345 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -7.144 11.721 5.592 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -6.686 11.526 3.884 1.00 1.03 H new ATOM 641 N ALA A 44 -7.106 6.428 4.064 1.00 0.40 N ATOM 642 CA ALA A 44 -6.676 5.086 4.430 1.00 0.38 C ATOM 643 C ALA A 44 -5.452 4.682 3.624 1.00 0.32 C ATOM 644 O ALA A 44 -4.558 4.025 4.123 1.00 0.33 O ATOM 645 CB ALA A 44 -7.800 4.084 4.226 1.00 0.43 C ATOM 0 H ALA A 44 -8.012 6.467 3.597 1.00 0.40 H new ATOM 0 HA ALA A 44 -6.411 5.090 5.487 1.00 0.38 H new ATOM 0 HB1 ALA A 44 -7.455 3.089 4.506 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -8.652 4.361 4.847 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.100 4.083 3.178 1.00 0.43 H new ATOM 651 N LEU A 45 -5.418 5.113 2.382 1.00 0.30 N ATOM 652 CA LEU A 45 -4.349 4.767 1.461 1.00 0.28 C ATOM 653 C LEU A 45 -3.020 5.439 1.916 1.00 0.28 C ATOM 654 O LEU A 45 -1.950 4.832 1.887 1.00 0.29 O ATOM 655 CB LEU A 45 -4.784 5.167 0.024 1.00 0.30 C ATOM 656 CG LEU A 45 -4.119 4.445 -1.175 1.00 0.30 C ATOM 657 CD1 LEU A 45 -4.729 4.923 -2.477 1.00 0.35 C ATOM 658 CD2 LEU A 45 -2.605 4.615 -1.212 1.00 0.37 C ATOM 0 H LEU A 45 -6.133 5.717 1.977 1.00 0.30 H new ATOM 0 HA LEU A 45 -4.161 3.693 1.460 1.00 0.28 H new ATOM 0 HB2 LEU A 45 -5.861 5.014 -0.052 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -4.605 6.236 -0.092 1.00 0.30 H new ATOM 0 HG LEU A 45 -4.312 3.380 -1.044 1.00 0.30 H new ATOM 0 HD11 LEU A 45 -4.254 4.409 -3.312 1.00 0.35 H new ATOM 0 HD12 LEU A 45 -5.797 4.707 -2.479 1.00 0.35 H new ATOM 0 HD13 LEU A 45 -4.575 5.997 -2.578 1.00 0.35 H new ATOM 0 HD21 LEU A 45 -2.200 4.086 -2.075 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -2.360 5.674 -1.288 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -2.171 4.207 -0.300 1.00 0.37 H new ATOM 670 N MET A 46 -3.112 6.675 2.366 1.00 0.30 N ATOM 671 CA MET A 46 -1.955 7.413 2.876 1.00 0.34 C ATOM 672 C MET A 46 -1.529 6.860 4.221 1.00 0.34 C ATOM 673 O MET A 46 -0.369 6.971 4.611 1.00 0.40 O ATOM 674 CB MET A 46 -2.265 8.907 2.996 1.00 0.39 C ATOM 675 CG MET A 46 -2.530 9.584 1.666 1.00 0.45 C ATOM 676 SD MET A 46 -3.002 11.321 1.836 1.00 0.68 S ATOM 677 CE MET A 46 -1.548 12.010 2.619 1.00 1.44 C ATOM 0 H MET A 46 -3.985 7.202 2.392 1.00 0.30 H new ATOM 0 HA MET A 46 -1.137 7.290 2.166 1.00 0.34 H new ATOM 0 HB2 MET A 46 -3.135 9.038 3.640 1.00 0.39 H new ATOM 0 HB3 MET A 46 -1.428 9.404 3.486 1.00 0.39 H new ATOM 0 HG2 MET A 46 -1.636 9.516 1.046 1.00 0.45 H new ATOM 0 HG3 MET A 46 -3.322 9.048 1.144 1.00 0.45 H new ATOM 0 HE1 MET A 46 -1.558 13.095 2.515 1.00 1.44 H new ATOM 0 HE2 MET A 46 -1.545 11.747 3.677 1.00 1.44 H new ATOM 0 HE3 MET A 46 -0.654 11.609 2.143 1.00 1.44 H new ATOM 687 N GLU A 47 -2.475 6.264 4.920 1.00 0.32 N ATOM 688 CA GLU A 47 -2.231 5.616 6.201 1.00 0.37 C ATOM 689 C GLU A 47 -1.350 4.379 5.911 1.00 0.32 C ATOM 690 O GLU A 47 -0.343 4.129 6.587 1.00 0.33 O ATOM 691 CB GLU A 47 -3.599 5.220 6.778 1.00 0.45 C ATOM 692 CG GLU A 47 -3.688 5.005 8.295 1.00 0.85 C ATOM 693 CD GLU A 47 -2.776 3.937 8.835 1.00 1.22 C ATOM 694 OE1 GLU A 47 -3.075 2.722 8.683 1.00 1.89 O ATOM 695 OE2 GLU A 47 -1.755 4.285 9.433 1.00 1.82 O ATOM 0 H GLU A 47 -3.447 6.214 4.614 1.00 0.32 H new ATOM 0 HA GLU A 47 -1.722 6.255 6.923 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -4.317 5.993 6.504 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.918 4.300 6.288 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -3.459 5.946 8.795 1.00 0.85 H new ATOM 0 HG3 GLU A 47 -4.716 4.749 8.552 1.00 0.85 H new ATOM 702 N THR A 48 -1.717 3.665 4.848 1.00 0.31 N ATOM 703 CA THR A 48 -0.969 2.530 4.344 1.00 0.30 C ATOM 704 C THR A 48 0.468 2.987 3.997 1.00 0.29 C ATOM 705 O THR A 48 1.458 2.455 4.534 1.00 0.32 O ATOM 706 CB THR A 48 -1.655 2.042 3.040 1.00 0.33 C ATOM 707 OG1 THR A 48 -3.021 1.681 3.286 1.00 0.40 O ATOM 708 CG2 THR A 48 -0.915 0.876 2.414 1.00 0.33 C ATOM 0 H THR A 48 -2.558 3.868 4.308 1.00 0.31 H new ATOM 0 HA THR A 48 -0.939 1.735 5.090 1.00 0.30 H new ATOM 0 HB THR A 48 -1.629 2.873 2.335 1.00 0.33 H new ATOM 0 HG1 THR A 48 -3.556 2.492 3.410 1.00 0.40 H new ATOM 0 HG21 THR A 48 -1.428 0.566 1.504 1.00 0.33 H new ATOM 0 HG22 THR A 48 0.103 1.180 2.171 1.00 0.33 H new ATOM 0 HG23 THR A 48 -0.887 0.043 3.117 1.00 0.33 H new ATOM 716 N ALA A 49 0.553 3.985 3.120 1.00 0.29 N ATOM 717 CA ALA A 49 1.817 4.510 2.625 1.00 0.30 C ATOM 718 C ALA A 49 2.752 4.966 3.750 1.00 0.27 C ATOM 719 O ALA A 49 3.896 4.526 3.805 1.00 0.27 O ATOM 720 CB ALA A 49 1.567 5.644 1.644 1.00 0.36 C ATOM 0 H ALA A 49 -0.264 4.455 2.731 1.00 0.29 H new ATOM 0 HA ALA A 49 2.323 3.693 2.111 1.00 0.30 H new ATOM 0 HB1 ALA A 49 2.520 6.028 1.281 1.00 0.36 H new ATOM 0 HB2 ALA A 49 0.981 5.275 0.803 1.00 0.36 H new ATOM 0 HB3 ALA A 49 1.020 6.444 2.144 1.00 0.36 H new ATOM 726 N ALA A 50 2.243 5.795 4.669 1.00 0.29 N ATOM 727 CA ALA A 50 3.051 6.354 5.770 1.00 0.31 C ATOM 728 C ALA A 50 3.707 5.265 6.614 1.00 0.30 C ATOM 729 O ALA A 50 4.880 5.394 7.034 1.00 0.32 O ATOM 730 CB ALA A 50 2.202 7.244 6.650 1.00 0.39 C ATOM 0 H ALA A 50 1.269 6.098 4.675 1.00 0.29 H new ATOM 0 HA ALA A 50 3.846 6.944 5.315 1.00 0.31 H new ATOM 0 HB1 ALA A 50 2.814 7.648 7.457 1.00 0.39 H new ATOM 0 HB2 ALA A 50 1.797 8.064 6.056 1.00 0.39 H new ATOM 0 HB3 ALA A 50 1.382 6.663 7.072 1.00 0.39 H new ATOM 736 N ARG A 51 2.965 4.206 6.859 1.00 0.32 N ATOM 737 CA ARG A 51 3.455 3.069 7.613 1.00 0.37 C ATOM 738 C ARG A 51 4.563 2.345 6.882 1.00 0.32 C ATOM 739 O ARG A 51 5.597 2.034 7.472 1.00 0.36 O ATOM 740 CB ARG A 51 2.319 2.129 7.941 1.00 0.51 C ATOM 741 CG ARG A 51 1.429 2.641 9.046 1.00 1.04 C ATOM 742 CD ARG A 51 0.101 1.940 9.042 1.00 1.15 C ATOM 743 NE ARG A 51 0.201 0.497 9.051 1.00 1.91 N ATOM 744 CZ ARG A 51 -0.731 -0.273 8.533 1.00 2.60 C ATOM 745 NH1 ARG A 51 -1.898 0.267 8.146 1.00 2.86 N ATOM 746 NH2 ARG A 51 -0.534 -1.584 8.437 1.00 3.47 N ATOM 0 H ARG A 51 2.001 4.108 6.540 1.00 0.32 H new ATOM 0 HA ARG A 51 3.878 3.444 8.545 1.00 0.37 H new ATOM 0 HB2 ARG A 51 1.719 1.966 7.045 1.00 0.51 H new ATOM 0 HB3 ARG A 51 2.728 1.161 8.231 1.00 0.51 H new ATOM 0 HG2 ARG A 51 1.918 2.493 10.009 1.00 1.04 H new ATOM 0 HG3 ARG A 51 1.277 3.714 8.927 1.00 1.04 H new ATOM 0 HD2 ARG A 51 -0.471 2.260 9.913 1.00 1.15 H new ATOM 0 HD3 ARG A 51 -0.460 2.250 8.161 1.00 1.15 H new ATOM 0 HE ARG A 51 1.021 0.062 9.473 1.00 1.91 H new ATOM 0 HH11 ARG A 51 -2.057 1.269 8.255 1.00 2.86 H new ATOM 0 HH12 ARG A 51 -2.625 -0.324 7.743 1.00 2.86 H new ATOM 0 HH21 ARG A 51 0.341 -1.994 8.765 1.00 3.47 H new ATOM 0 HH22 ARG A 51 -1.257 -2.180 8.035 1.00 3.47 H new ATOM 760 N LEU A 52 4.367 2.093 5.592 1.00 0.27 N ATOM 761 CA LEU A 52 5.382 1.406 4.806 1.00 0.25 C ATOM 762 C LEU A 52 6.629 2.290 4.685 1.00 0.21 C ATOM 763 O LEU A 52 7.759 1.789 4.696 1.00 0.23 O ATOM 764 CB LEU A 52 4.850 0.968 3.425 1.00 0.29 C ATOM 765 CG LEU A 52 3.535 0.184 3.437 1.00 0.36 C ATOM 766 CD1 LEU A 52 3.103 -0.143 2.020 1.00 0.44 C ATOM 767 CD2 LEU A 52 3.672 -1.092 4.256 1.00 0.44 C ATOM 0 H LEU A 52 3.526 2.351 5.075 1.00 0.27 H new ATOM 0 HA LEU A 52 5.656 0.489 5.327 1.00 0.25 H new ATOM 0 HB2 LEU A 52 4.716 1.857 2.809 1.00 0.29 H new ATOM 0 HB3 LEU A 52 5.611 0.357 2.940 1.00 0.29 H new ATOM 0 HG LEU A 52 2.771 0.807 3.902 1.00 0.36 H new ATOM 0 HD11 LEU A 52 2.167 -0.700 2.045 1.00 0.44 H new ATOM 0 HD12 LEU A 52 2.960 0.782 1.461 1.00 0.44 H new ATOM 0 HD13 LEU A 52 3.871 -0.745 1.535 1.00 0.44 H new ATOM 0 HD21 LEU A 52 2.725 -1.632 4.250 1.00 0.44 H new ATOM 0 HD22 LEU A 52 4.451 -1.720 3.823 1.00 0.44 H new ATOM 0 HD23 LEU A 52 3.938 -0.839 5.282 1.00 0.44 H new ATOM 779 N GLU A 53 6.413 3.615 4.596 1.00 0.19 N ATOM 780 CA GLU A 53 7.510 4.587 4.573 1.00 0.19 C ATOM 781 C GLU A 53 8.376 4.439 5.804 1.00 0.23 C ATOM 782 O GLU A 53 9.549 4.096 5.707 1.00 0.26 O ATOM 783 CB GLU A 53 7.011 6.037 4.509 1.00 0.22 C ATOM 784 CG GLU A 53 6.306 6.434 3.234 1.00 0.25 C ATOM 785 CD GLU A 53 5.952 7.901 3.232 1.00 0.33 C ATOM 786 OE1 GLU A 53 6.803 8.726 2.854 1.00 0.38 O ATOM 787 OE2 GLU A 53 4.836 8.260 3.608 1.00 0.49 O ATOM 0 H GLU A 53 5.484 4.033 4.539 1.00 0.19 H new ATOM 0 HA GLU A 53 8.084 4.376 3.670 1.00 0.19 H new ATOM 0 HB2 GLU A 53 6.332 6.205 5.345 1.00 0.22 H new ATOM 0 HB3 GLU A 53 7.863 6.701 4.653 1.00 0.22 H new ATOM 0 HG2 GLU A 53 6.945 6.212 2.379 1.00 0.25 H new ATOM 0 HG3 GLU A 53 5.400 5.840 3.118 1.00 0.25 H new ATOM 794 N SER A 54 7.769 4.639 6.954 1.00 0.31 N ATOM 795 CA SER A 54 8.475 4.625 8.214 1.00 0.40 C ATOM 796 C SER A 54 9.119 3.258 8.523 1.00 0.36 C ATOM 797 O SER A 54 10.285 3.192 8.948 1.00 0.39 O ATOM 798 CB SER A 54 7.538 5.104 9.335 1.00 0.53 C ATOM 799 OG SER A 54 6.263 4.463 9.248 1.00 1.17 O ATOM 0 H SER A 54 6.768 4.816 7.040 1.00 0.31 H new ATOM 0 HA SER A 54 9.312 5.320 8.144 1.00 0.40 H new ATOM 0 HB2 SER A 54 7.989 4.894 10.305 1.00 0.53 H new ATOM 0 HB3 SER A 54 7.411 6.185 9.270 1.00 0.53 H new ATOM 0 HG SER A 54 5.725 4.898 8.554 1.00 1.17 H new ATOM 805 N ARG A 55 8.369 2.192 8.290 1.00 0.35 N ATOM 806 CA ARG A 55 8.832 0.833 8.545 1.00 0.37 C ATOM 807 C ARG A 55 9.980 0.386 7.618 1.00 0.31 C ATOM 808 O ARG A 55 10.981 -0.158 8.080 1.00 0.36 O ATOM 809 CB ARG A 55 7.664 -0.158 8.477 1.00 0.48 C ATOM 810 CG ARG A 55 8.070 -1.611 8.656 1.00 0.61 C ATOM 811 CD ARG A 55 6.867 -2.525 8.715 1.00 0.85 C ATOM 812 NE ARG A 55 6.028 -2.250 9.878 1.00 1.35 N ATOM 813 CZ ARG A 55 5.599 -3.163 10.755 1.00 2.03 C ATOM 814 NH1 ARG A 55 5.894 -4.457 10.596 1.00 2.37 N ATOM 815 NH2 ARG A 55 4.865 -2.767 11.780 1.00 2.81 N ATOM 0 H ARG A 55 7.421 2.243 7.918 1.00 0.35 H new ATOM 0 HA ARG A 55 9.244 0.838 9.554 1.00 0.37 H new ATOM 0 HB2 ARG A 55 6.936 0.102 9.246 1.00 0.48 H new ATOM 0 HB3 ARG A 55 7.164 -0.048 7.515 1.00 0.48 H new ATOM 0 HG2 ARG A 55 8.716 -1.913 7.831 1.00 0.61 H new ATOM 0 HG3 ARG A 55 8.652 -1.716 9.572 1.00 0.61 H new ATOM 0 HD2 ARG A 55 6.277 -2.407 7.806 1.00 0.85 H new ATOM 0 HD3 ARG A 55 7.201 -3.562 8.746 1.00 0.85 H new ATOM 0 HE ARG A 55 5.746 -1.282 10.034 1.00 1.35 H new ATOM 0 HH11 ARG A 55 6.453 -4.758 9.798 1.00 2.37 H new ATOM 0 HH12 ARG A 55 5.560 -5.143 11.273 1.00 2.37 H new ATOM 0 HH21 ARG A 55 4.635 -1.780 11.891 1.00 2.81 H new ATOM 0 HH22 ARG A 55 4.528 -3.449 12.460 1.00 2.81 H new ATOM 829 N TYR A 56 9.853 0.632 6.331 1.00 0.28 N ATOM 830 CA TYR A 56 10.833 0.106 5.381 1.00 0.31 C ATOM 831 C TYR A 56 11.930 1.106 5.027 1.00 0.33 C ATOM 832 O TYR A 56 13.023 0.715 4.605 1.00 0.43 O ATOM 833 CB TYR A 56 10.138 -0.430 4.118 1.00 0.34 C ATOM 834 CG TYR A 56 9.185 -1.580 4.397 1.00 0.41 C ATOM 835 CD1 TYR A 56 9.652 -2.877 4.558 1.00 0.53 C ATOM 836 CD2 TYR A 56 7.821 -1.365 4.487 1.00 0.45 C ATOM 837 CE1 TYR A 56 8.790 -3.924 4.800 1.00 0.64 C ATOM 838 CE2 TYR A 56 6.948 -2.407 4.729 1.00 0.57 C ATOM 839 CZ TYR A 56 7.445 -3.682 4.927 1.00 0.66 C ATOM 840 OH TYR A 56 6.564 -4.737 5.132 1.00 0.80 O ATOM 0 H TYR A 56 9.100 1.181 5.916 1.00 0.28 H new ATOM 0 HA TYR A 56 11.334 -0.722 5.883 1.00 0.31 H new ATOM 0 HB2 TYR A 56 9.587 0.382 3.643 1.00 0.34 H new ATOM 0 HB3 TYR A 56 10.896 -0.760 3.407 1.00 0.34 H new ATOM 0 HD1 TYR A 56 10.713 -3.069 4.492 1.00 0.53 H new ATOM 0 HD2 TYR A 56 7.432 -0.365 4.366 1.00 0.45 H new ATOM 0 HE1 TYR A 56 9.171 -4.931 4.889 1.00 0.64 H new ATOM 0 HE2 TYR A 56 5.884 -2.227 4.763 1.00 0.57 H new ATOM 0 HH TYR A 56 5.650 -4.391 5.201 1.00 0.80 H new ATOM 850 N GLY A 57 11.665 2.374 5.220 1.00 0.31 N ATOM 851 CA GLY A 57 12.660 3.378 4.918 1.00 0.38 C ATOM 852 C GLY A 57 12.460 3.982 3.546 1.00 0.38 C ATOM 853 O GLY A 57 13.402 4.465 2.929 1.00 0.53 O ATOM 0 H GLY A 57 10.781 2.735 5.580 1.00 0.31 H new ATOM 0 HA2 GLY A 57 12.619 4.166 5.670 1.00 0.38 H new ATOM 0 HA3 GLY A 57 13.653 2.933 4.976 1.00 0.38 H new ATOM 857 N VAL A 58 11.232 3.948 3.073 1.00 0.37 N ATOM 858 CA VAL A 58 10.892 4.513 1.779 1.00 0.37 C ATOM 859 C VAL A 58 10.249 5.877 1.969 1.00 0.34 C ATOM 860 O VAL A 58 10.067 6.327 3.103 1.00 0.33 O ATOM 861 CB VAL A 58 9.961 3.606 0.904 1.00 0.38 C ATOM 862 CG1 VAL A 58 10.589 2.263 0.627 1.00 0.45 C ATOM 863 CG2 VAL A 58 8.598 3.416 1.533 1.00 0.33 C ATOM 0 H VAL A 58 10.444 3.531 3.569 1.00 0.37 H new ATOM 0 HA VAL A 58 11.830 4.597 1.231 1.00 0.37 H new ATOM 0 HB VAL A 58 9.830 4.130 -0.043 1.00 0.38 H new ATOM 0 HG11 VAL A 58 9.912 1.664 0.018 1.00 0.45 H new ATOM 0 HG12 VAL A 58 11.529 2.404 0.094 1.00 0.45 H new ATOM 0 HG13 VAL A 58 10.780 1.749 1.569 1.00 0.45 H new ATOM 0 HG21 VAL A 58 7.987 2.781 0.892 1.00 0.33 H new ATOM 0 HG22 VAL A 58 8.710 2.945 2.509 1.00 0.33 H new ATOM 0 HG23 VAL A 58 8.114 4.385 1.651 1.00 0.33 H new ATOM 873 N SER A 59 9.946 6.543 0.895 1.00 0.37 N ATOM 874 CA SER A 59 9.270 7.808 0.939 1.00 0.41 C ATOM 875 C SER A 59 8.260 7.881 -0.209 1.00 0.38 C ATOM 876 O SER A 59 8.624 7.760 -1.379 1.00 0.47 O ATOM 877 CB SER A 59 10.295 8.940 0.849 1.00 0.56 C ATOM 878 OG SER A 59 11.252 8.823 1.901 1.00 1.54 O ATOM 0 H SER A 59 10.163 6.221 -0.048 1.00 0.37 H new ATOM 0 HA SER A 59 8.730 7.913 1.880 1.00 0.41 H new ATOM 0 HB2 SER A 59 10.800 8.908 -0.117 1.00 0.56 H new ATOM 0 HB3 SER A 59 9.790 9.904 0.913 1.00 0.56 H new ATOM 0 HG SER A 59 11.904 9.552 1.833 1.00 1.54 H new ATOM 884 N ILE A 60 7.001 8.028 0.140 1.00 0.31 N ATOM 885 CA ILE A 60 5.920 8.069 -0.826 1.00 0.31 C ATOM 886 C ILE A 60 5.221 9.428 -0.767 1.00 0.34 C ATOM 887 O ILE A 60 4.572 9.759 0.237 1.00 0.40 O ATOM 888 CB ILE A 60 4.873 6.929 -0.584 1.00 0.33 C ATOM 889 CG1 ILE A 60 5.528 5.537 -0.694 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.685 7.042 -1.549 1.00 0.35 C ATOM 891 CD1 ILE A 60 6.159 5.240 -2.049 1.00 0.59 C ATOM 0 H ILE A 60 6.694 8.123 1.108 1.00 0.31 H new ATOM 0 HA ILE A 60 6.357 7.917 -1.813 1.00 0.31 H new ATOM 0 HB ILE A 60 4.494 7.049 0.431 1.00 0.33 H new ATOM 0 HG12 ILE A 60 6.294 5.448 0.076 1.00 0.47 H new ATOM 0 HG13 ILE A 60 4.775 4.778 -0.484 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.979 6.235 -1.353 1.00 0.35 H new ATOM 0 HG22 ILE A 60 3.189 8.002 -1.405 1.00 0.35 H new ATOM 0 HG23 ILE A 60 4.042 6.969 -2.576 1.00 0.35 H new ATOM 0 HD11 ILE A 60 6.595 4.241 -2.036 1.00 0.59 H new ATOM 0 HD12 ILE A 60 5.396 5.293 -2.825 1.00 0.59 H new ATOM 0 HD13 ILE A 60 6.938 5.974 -2.256 1.00 0.59 H new ATOM 903 N PRO A 61 5.376 10.242 -1.817 1.00 0.37 N ATOM 904 CA PRO A 61 4.737 11.563 -1.910 1.00 0.45 C ATOM 905 C PRO A 61 3.197 11.479 -1.860 1.00 0.41 C ATOM 906 O PRO A 61 2.593 10.535 -2.398 1.00 0.35 O ATOM 907 CB PRO A 61 5.189 12.080 -3.283 1.00 0.54 C ATOM 908 CG PRO A 61 6.426 11.313 -3.588 1.00 0.56 C ATOM 909 CD PRO A 61 6.216 9.957 -2.992 1.00 0.43 C ATOM 0 HA PRO A 61 5.018 12.206 -1.076 1.00 0.45 H new ATOM 0 HB2 PRO A 61 4.423 11.913 -4.040 1.00 0.54 H new ATOM 0 HB3 PRO A 61 5.384 13.152 -3.258 1.00 0.54 H new ATOM 0 HG2 PRO A 61 6.591 11.247 -4.663 1.00 0.56 H new ATOM 0 HG3 PRO A 61 7.303 11.798 -3.160 1.00 0.56 H new ATOM 0 HD2 PRO A 61 5.720 9.281 -3.689 1.00 0.43 H new ATOM 0 HD3 PRO A 61 7.159 9.489 -2.711 1.00 0.43 H new ATOM 917 N ASP A 62 2.584 12.468 -1.219 1.00 0.51 N ATOM 918 CA ASP A 62 1.111 12.574 -1.056 1.00 0.55 C ATOM 919 C ASP A 62 0.365 12.543 -2.392 1.00 0.45 C ATOM 920 O ASP A 62 -0.728 11.978 -2.480 1.00 0.46 O ATOM 921 CB ASP A 62 0.703 13.833 -0.244 1.00 0.77 C ATOM 922 CG ASP A 62 1.040 15.151 -0.927 1.00 1.28 C ATOM 923 OD1 ASP A 62 2.154 15.663 -0.747 1.00 1.64 O ATOM 924 OD2 ASP A 62 0.166 15.706 -1.653 1.00 1.99 O ATOM 0 H ASP A 62 3.092 13.239 -0.785 1.00 0.51 H new ATOM 0 HA ASP A 62 0.815 11.690 -0.491 1.00 0.55 H new ATOM 0 HB2 ASP A 62 -0.370 13.798 -0.055 1.00 0.77 H new ATOM 0 HB3 ASP A 62 1.198 13.802 0.726 1.00 0.77 H new ATOM 929 N ASP A 63 0.994 13.071 -3.451 1.00 0.44 N ATOM 930 CA ASP A 63 0.359 13.097 -4.788 1.00 0.45 C ATOM 931 C ASP A 63 0.285 11.711 -5.343 1.00 0.40 C ATOM 932 O ASP A 63 -0.592 11.392 -6.104 1.00 0.48 O ATOM 933 CB ASP A 63 1.144 13.935 -5.807 1.00 0.58 C ATOM 934 CG ASP A 63 1.200 15.400 -5.518 1.00 1.37 C ATOM 935 OD1 ASP A 63 0.206 16.095 -5.782 1.00 1.66 O ATOM 936 OD2 ASP A 63 2.221 15.879 -4.969 1.00 2.18 O ATOM 0 H ASP A 63 1.927 13.481 -3.416 1.00 0.44 H new ATOM 0 HA ASP A 63 -0.627 13.538 -4.642 1.00 0.45 H new ATOM 0 HB2 ASP A 63 2.163 13.552 -5.860 1.00 0.58 H new ATOM 0 HB3 ASP A 63 0.698 13.792 -6.791 1.00 0.58 H new ATOM 941 N VAL A 64 1.224 10.901 -4.968 1.00 0.34 N ATOM 942 CA VAL A 64 1.270 9.539 -5.420 1.00 0.37 C ATOM 943 C VAL A 64 0.267 8.730 -4.631 1.00 0.36 C ATOM 944 O VAL A 64 -0.576 8.044 -5.202 1.00 0.43 O ATOM 945 CB VAL A 64 2.666 8.941 -5.211 1.00 0.45 C ATOM 946 CG1 VAL A 64 2.716 7.549 -5.802 1.00 0.57 C ATOM 947 CG2 VAL A 64 3.734 9.817 -5.842 1.00 0.50 C ATOM 0 H VAL A 64 1.983 11.162 -4.339 1.00 0.34 H new ATOM 0 HA VAL A 64 1.035 9.514 -6.484 1.00 0.37 H new ATOM 0 HB VAL A 64 2.864 8.888 -4.140 1.00 0.45 H new ATOM 0 HG11 VAL A 64 3.709 7.126 -5.652 1.00 0.57 H new ATOM 0 HG12 VAL A 64 1.975 6.918 -5.311 1.00 0.57 H new ATOM 0 HG13 VAL A 64 2.500 7.599 -6.869 1.00 0.57 H new ATOM 0 HG21 VAL A 64 4.715 9.370 -5.679 1.00 0.50 H new ATOM 0 HG22 VAL A 64 3.548 9.903 -6.913 1.00 0.50 H new ATOM 0 HG23 VAL A 64 3.707 10.808 -5.388 1.00 0.50 H new ATOM 957 N ALA A 65 0.365 8.840 -3.310 1.00 0.35 N ATOM 958 CA ALA A 65 -0.471 8.086 -2.388 1.00 0.39 C ATOM 959 C ALA A 65 -1.944 8.265 -2.699 1.00 0.41 C ATOM 960 O ALA A 65 -2.659 7.301 -2.862 1.00 0.45 O ATOM 961 CB ALA A 65 -0.188 8.504 -0.956 1.00 0.44 C ATOM 0 H ALA A 65 1.031 9.459 -2.848 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.227 7.031 -2.509 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -0.821 7.931 -0.278 1.00 0.44 H new ATOM 0 HB2 ALA A 65 0.860 8.314 -0.722 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -0.399 9.567 -0.839 1.00 0.44 H new ATOM 967 N GLY A 66 -2.370 9.487 -2.860 1.00 0.47 N ATOM 968 CA GLY A 66 -3.764 9.725 -3.119 1.00 0.55 C ATOM 969 C GLY A 66 -4.133 9.672 -4.595 1.00 0.58 C ATOM 970 O GLY A 66 -5.141 10.267 -4.997 1.00 0.81 O ATOM 0 H GLY A 66 -1.784 10.321 -2.818 1.00 0.47 H new ATOM 0 HA2 GLY A 66 -4.356 8.985 -2.580 1.00 0.55 H new ATOM 0 HA3 GLY A 66 -4.036 10.703 -2.721 1.00 0.55 H new ATOM 974 N ARG A 67 -3.334 9.001 -5.421 1.00 0.54 N ATOM 975 CA ARG A 67 -3.661 8.889 -6.845 1.00 0.61 C ATOM 976 C ARG A 67 -3.433 7.510 -7.427 1.00 0.52 C ATOM 977 O ARG A 67 -3.831 7.266 -8.567 1.00 0.59 O ATOM 978 CB ARG A 67 -2.894 9.865 -7.705 1.00 0.75 C ATOM 979 CG ARG A 67 -3.251 11.321 -7.550 1.00 1.32 C ATOM 980 CD ARG A 67 -2.605 12.085 -8.668 1.00 1.55 C ATOM 981 NE ARG A 67 -3.138 11.620 -9.963 1.00 1.97 N ATOM 982 CZ ARG A 67 -2.438 11.486 -11.091 1.00 2.53 C ATOM 983 NH1 ARG A 67 -1.224 12.006 -11.195 1.00 2.73 N ATOM 984 NH2 ARG A 67 -2.976 10.863 -12.124 1.00 3.33 N ATOM 0 H ARG A 67 -2.472 8.534 -5.139 1.00 0.54 H new ATOM 0 HA ARG A 67 -4.727 9.116 -6.867 1.00 0.61 H new ATOM 0 HB2 ARG A 67 -1.832 9.749 -7.489 1.00 0.75 H new ATOM 0 HB3 ARG A 67 -3.039 9.587 -8.749 1.00 0.75 H new ATOM 0 HG2 ARG A 67 -4.333 11.452 -7.576 1.00 1.32 H new ATOM 0 HG3 ARG A 67 -2.908 11.696 -6.586 1.00 1.32 H new ATOM 0 HD2 ARG A 67 -2.794 13.152 -8.548 1.00 1.55 H new ATOM 0 HD3 ARG A 67 -1.524 11.947 -8.638 1.00 1.55 H new ATOM 0 HE ARG A 67 -4.129 11.380 -9.999 1.00 1.97 H new ATOM 0 HH11 ARG A 67 -0.818 12.513 -10.409 1.00 2.73 H new ATOM 0 HH12 ARG A 67 -0.696 11.899 -12.061 1.00 2.73 H new ATOM 0 HH21 ARG A 67 -3.922 10.487 -12.057 1.00 3.33 H new ATOM 0 HH22 ARG A 67 -2.446 10.758 -12.989 1.00 3.33 H new ATOM 998 N VAL A 68 -2.839 6.609 -6.683 1.00 0.43 N ATOM 999 CA VAL A 68 -2.529 5.310 -7.248 1.00 0.39 C ATOM 1000 C VAL A 68 -3.769 4.454 -7.425 1.00 0.35 C ATOM 1001 O VAL A 68 -4.610 4.342 -6.543 1.00 0.45 O ATOM 1002 CB VAL A 68 -1.382 4.554 -6.509 1.00 0.39 C ATOM 1003 CG1 VAL A 68 -0.051 5.180 -6.865 1.00 0.44 C ATOM 1004 CG2 VAL A 68 -1.560 4.597 -5.003 1.00 0.36 C ATOM 0 H VAL A 68 -2.565 6.741 -5.709 1.00 0.43 H new ATOM 0 HA VAL A 68 -2.135 5.514 -8.243 1.00 0.39 H new ATOM 0 HB VAL A 68 -1.412 3.512 -6.828 1.00 0.39 H new ATOM 0 HG11 VAL A 68 0.750 4.651 -6.348 1.00 0.44 H new ATOM 0 HG12 VAL A 68 0.106 5.113 -7.942 1.00 0.44 H new ATOM 0 HG13 VAL A 68 -0.049 6.227 -6.562 1.00 0.44 H new ATOM 0 HG21 VAL A 68 -0.741 4.060 -4.524 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.560 5.634 -4.666 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.507 4.129 -4.735 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.868 3.889 -8.606 1.00 0.33 N ATOM 1015 CA ASP A 69 -5.041 3.153 -9.056 1.00 0.41 C ATOM 1016 C ASP A 69 -5.047 1.720 -8.553 1.00 0.28 C ATOM 1017 O ASP A 69 -5.975 1.310 -7.851 1.00 0.33 O ATOM 1018 CB ASP A 69 -5.073 3.184 -10.592 1.00 0.62 C ATOM 1019 CG ASP A 69 -6.185 2.383 -11.229 1.00 1.36 C ATOM 1020 OD1 ASP A 69 -7.338 2.818 -11.190 1.00 1.76 O ATOM 1021 OD2 ASP A 69 -5.890 1.344 -11.872 1.00 2.11 O ATOM 0 H ASP A 69 -3.122 3.926 -9.301 1.00 0.33 H new ATOM 0 HA ASP A 69 -5.932 3.630 -8.646 1.00 0.41 H new ATOM 0 HB2 ASP A 69 -5.162 4.221 -10.917 1.00 0.62 H new ATOM 0 HB3 ASP A 69 -4.119 2.813 -10.967 1.00 0.62 H new ATOM 1026 N THR A 70 -4.046 0.962 -8.888 1.00 0.30 N ATOM 1027 CA THR A 70 -3.988 -0.400 -8.443 1.00 0.27 C ATOM 1028 C THR A 70 -2.902 -0.590 -7.397 1.00 0.24 C ATOM 1029 O THR A 70 -1.874 0.095 -7.431 1.00 0.25 O ATOM 1030 CB THR A 70 -3.795 -1.378 -9.626 1.00 0.34 C ATOM 1031 OG1 THR A 70 -2.705 -0.942 -10.463 1.00 0.44 O ATOM 1032 CG2 THR A 70 -5.063 -1.468 -10.447 1.00 0.36 C ATOM 0 H THR A 70 -3.260 1.261 -9.466 1.00 0.30 H new ATOM 0 HA THR A 70 -4.947 -0.631 -7.979 1.00 0.27 H new ATOM 0 HB THR A 70 -3.562 -2.363 -9.222 1.00 0.34 H new ATOM 0 HG1 THR A 70 -1.905 -1.469 -10.259 1.00 0.44 H new ATOM 0 HG21 THR A 70 -4.912 -2.160 -11.276 1.00 0.36 H new ATOM 0 HG22 THR A 70 -5.878 -1.827 -9.819 1.00 0.36 H new ATOM 0 HG23 THR A 70 -5.314 -0.482 -10.839 1.00 0.36 H new ATOM 1040 N PRO A 71 -3.129 -1.482 -6.418 1.00 0.22 N ATOM 1041 CA PRO A 71 -2.137 -1.829 -5.403 1.00 0.22 C ATOM 1042 C PRO A 71 -0.828 -2.279 -6.032 1.00 0.22 C ATOM 1043 O PRO A 71 0.242 -1.999 -5.507 1.00 0.23 O ATOM 1044 CB PRO A 71 -2.793 -2.988 -4.655 1.00 0.26 C ATOM 1045 CG PRO A 71 -4.237 -2.727 -4.799 1.00 0.23 C ATOM 1046 CD PRO A 71 -4.400 -2.177 -6.182 1.00 0.23 C ATOM 0 HA PRO A 71 -1.881 -0.984 -4.763 1.00 0.22 H new ATOM 0 HB2 PRO A 71 -2.515 -3.950 -5.086 1.00 0.26 H new ATOM 0 HB3 PRO A 71 -2.493 -3.009 -3.607 1.00 0.26 H new ATOM 0 HG2 PRO A 71 -4.817 -3.640 -4.667 1.00 0.23 H new ATOM 0 HG3 PRO A 71 -4.586 -2.017 -4.049 1.00 0.23 H new ATOM 0 HD2 PRO A 71 -4.568 -2.968 -6.913 1.00 0.23 H new ATOM 0 HD3 PRO A 71 -5.249 -1.497 -6.247 1.00 0.23 H new ATOM 1054 N ARG A 72 -0.934 -2.973 -7.174 1.00 0.24 N ATOM 1055 CA ARG A 72 0.222 -3.446 -7.935 1.00 0.28 C ATOM 1056 C ARG A 72 1.196 -2.269 -8.247 1.00 0.27 C ATOM 1057 O ARG A 72 2.426 -2.451 -8.266 1.00 0.32 O ATOM 1058 CB ARG A 72 -0.241 -4.130 -9.231 1.00 0.40 C ATOM 1059 CG ARG A 72 0.775 -5.108 -9.811 1.00 0.70 C ATOM 1060 CD ARG A 72 0.312 -5.686 -11.141 1.00 0.74 C ATOM 1061 NE ARG A 72 0.315 -4.665 -12.195 1.00 1.18 N ATOM 1062 CZ ARG A 72 0.404 -4.911 -13.512 1.00 1.71 C ATOM 1063 NH1 ARG A 72 0.286 -6.150 -13.980 1.00 1.88 N ATOM 1064 NH2 ARG A 72 0.570 -3.905 -14.361 1.00 2.72 N ATOM 0 H ARG A 72 -1.830 -3.221 -7.594 1.00 0.24 H new ATOM 0 HA ARG A 72 0.761 -4.176 -7.332 1.00 0.28 H new ATOM 0 HB2 ARG A 72 -1.172 -4.662 -9.037 1.00 0.40 H new ATOM 0 HB3 ARG A 72 -0.460 -3.365 -9.976 1.00 0.40 H new ATOM 0 HG2 ARG A 72 1.730 -4.600 -9.949 1.00 0.70 H new ATOM 0 HG3 ARG A 72 0.944 -5.919 -9.102 1.00 0.70 H new ATOM 0 HD2 ARG A 72 0.964 -6.511 -11.429 1.00 0.74 H new ATOM 0 HD3 ARG A 72 -0.692 -6.097 -11.032 1.00 0.74 H new ATOM 0 HE ARG A 72 0.244 -3.690 -11.904 1.00 1.18 H new ATOM 0 HH11 ARG A 72 0.126 -6.925 -13.337 1.00 1.88 H new ATOM 0 HH12 ARG A 72 0.355 -6.325 -14.982 1.00 1.88 H new ATOM 0 HH21 ARG A 72 0.630 -2.948 -14.013 1.00 2.72 H new ATOM 0 HH22 ARG A 72 0.638 -4.088 -15.362 1.00 2.72 H new ATOM 1078 N GLU A 73 0.624 -1.067 -8.482 1.00 0.24 N ATOM 1079 CA GLU A 73 1.401 0.163 -8.727 1.00 0.26 C ATOM 1080 C GLU A 73 2.223 0.508 -7.498 1.00 0.25 C ATOM 1081 O GLU A 73 3.444 0.562 -7.548 1.00 0.32 O ATOM 1082 CB GLU A 73 0.463 1.358 -9.007 1.00 0.33 C ATOM 1083 CG GLU A 73 -0.335 1.301 -10.295 1.00 0.50 C ATOM 1084 CD GLU A 73 0.516 1.513 -11.509 1.00 1.41 C ATOM 1085 OE1 GLU A 73 0.851 2.674 -11.818 1.00 1.82 O ATOM 1086 OE2 GLU A 73 0.888 0.531 -12.175 1.00 2.21 O ATOM 0 H GLU A 73 -0.386 -0.925 -8.507 1.00 0.24 H new ATOM 0 HA GLU A 73 2.044 -0.018 -9.589 1.00 0.26 H new ATOM 0 HB2 GLU A 73 -0.236 1.446 -8.175 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.063 2.268 -9.017 1.00 0.33 H new ATOM 0 HG2 GLU A 73 -0.831 0.333 -10.368 1.00 0.50 H new ATOM 0 HG3 GLU A 73 -1.117 2.059 -10.267 1.00 0.50 H new ATOM 1093 N LEU A 74 1.526 0.638 -6.377 1.00 0.23 N ATOM 1094 CA LEU A 74 2.101 1.107 -5.116 1.00 0.26 C ATOM 1095 C LEU A 74 3.115 0.083 -4.606 1.00 0.25 C ATOM 1096 O LEU A 74 4.160 0.447 -4.067 1.00 0.28 O ATOM 1097 CB LEU A 74 0.927 1.332 -4.106 1.00 0.28 C ATOM 1098 CG LEU A 74 1.180 2.133 -2.792 1.00 0.31 C ATOM 1099 CD1 LEU A 74 2.067 1.396 -1.799 1.00 1.01 C ATOM 1100 CD2 LEU A 74 1.743 3.513 -3.103 1.00 1.11 C ATOM 0 H LEU A 74 0.532 0.419 -6.314 1.00 0.23 H new ATOM 0 HA LEU A 74 2.635 2.048 -5.246 1.00 0.26 H new ATOM 0 HB2 LEU A 74 0.126 1.837 -4.646 1.00 0.28 H new ATOM 0 HB3 LEU A 74 0.550 0.350 -3.821 1.00 0.28 H new ATOM 0 HG LEU A 74 0.210 2.245 -2.308 1.00 0.31 H new ATOM 0 HD11 LEU A 74 2.203 2.009 -0.908 1.00 1.01 H new ATOM 0 HD12 LEU A 74 1.597 0.452 -1.522 1.00 1.01 H new ATOM 0 HD13 LEU A 74 3.037 1.199 -2.255 1.00 1.01 H new ATOM 0 HD21 LEU A 74 1.912 4.055 -2.173 1.00 1.11 H new ATOM 0 HD22 LEU A 74 2.686 3.409 -3.639 1.00 1.11 H new ATOM 0 HD23 LEU A 74 1.034 4.065 -3.720 1.00 1.11 H new ATOM 1112 N LEU A 75 2.812 -1.180 -4.825 1.00 0.24 N ATOM 1113 CA LEU A 75 3.681 -2.287 -4.456 1.00 0.28 C ATOM 1114 C LEU A 75 5.061 -2.122 -5.111 1.00 0.28 C ATOM 1115 O LEU A 75 6.105 -2.220 -4.456 1.00 0.30 O ATOM 1116 CB LEU A 75 3.053 -3.604 -4.921 1.00 0.32 C ATOM 1117 CG LEU A 75 3.727 -4.873 -4.428 1.00 0.39 C ATOM 1118 CD1 LEU A 75 3.577 -4.986 -2.928 1.00 0.46 C ATOM 1119 CD2 LEU A 75 3.151 -6.093 -5.123 1.00 0.48 C ATOM 0 H LEU A 75 1.943 -1.474 -5.271 1.00 0.24 H new ATOM 0 HA LEU A 75 3.801 -2.296 -3.373 1.00 0.28 H new ATOM 0 HB2 LEU A 75 2.012 -3.621 -4.599 1.00 0.32 H new ATOM 0 HB3 LEU A 75 3.050 -3.617 -6.011 1.00 0.32 H new ATOM 0 HG LEU A 75 4.789 -4.823 -4.669 1.00 0.39 H new ATOM 0 HD11 LEU A 75 4.063 -5.898 -2.581 1.00 0.46 H new ATOM 0 HD12 LEU A 75 4.041 -4.124 -2.450 1.00 0.46 H new ATOM 0 HD13 LEU A 75 2.519 -5.018 -2.670 1.00 0.46 H new ATOM 0 HD21 LEU A 75 3.648 -6.990 -4.755 1.00 0.48 H new ATOM 0 HD22 LEU A 75 2.083 -6.159 -4.916 1.00 0.48 H new ATOM 0 HD23 LEU A 75 3.308 -6.007 -6.198 1.00 0.48 H new ATOM 1131 N ASP A 76 5.045 -1.818 -6.398 1.00 0.28 N ATOM 1132 CA ASP A 76 6.273 -1.668 -7.176 1.00 0.33 C ATOM 1133 C ASP A 76 6.970 -0.365 -6.818 1.00 0.30 C ATOM 1134 O ASP A 76 8.201 -0.286 -6.789 1.00 0.32 O ATOM 1135 CB ASP A 76 5.968 -1.713 -8.670 1.00 0.43 C ATOM 1136 CG ASP A 76 7.215 -1.677 -9.524 1.00 0.58 C ATOM 1137 OD1 ASP A 76 8.003 -2.637 -9.491 1.00 0.72 O ATOM 1138 OD2 ASP A 76 7.451 -0.662 -10.208 1.00 0.68 O ATOM 0 H ASP A 76 4.190 -1.668 -6.934 1.00 0.28 H new ATOM 0 HA ASP A 76 6.938 -2.497 -6.934 1.00 0.33 H new ATOM 0 HB2 ASP A 76 5.406 -2.619 -8.894 1.00 0.43 H new ATOM 0 HB3 ASP A 76 5.330 -0.869 -8.931 1.00 0.43 H new ATOM 1143 N LEU A 77 6.164 0.640 -6.498 1.00 0.29 N ATOM 1144 CA LEU A 77 6.656 1.949 -6.089 1.00 0.30 C ATOM 1145 C LEU A 77 7.500 1.848 -4.822 1.00 0.28 C ATOM 1146 O LEU A 77 8.513 2.543 -4.690 1.00 0.35 O ATOM 1147 CB LEU A 77 5.486 2.934 -5.905 1.00 0.35 C ATOM 1148 CG LEU A 77 4.736 3.321 -7.185 1.00 0.41 C ATOM 1149 CD1 LEU A 77 3.566 4.224 -6.864 1.00 0.49 C ATOM 1150 CD2 LEU A 77 5.674 3.998 -8.176 1.00 0.45 C ATOM 0 H LEU A 77 5.147 0.569 -6.515 1.00 0.29 H new ATOM 0 HA LEU A 77 7.299 2.334 -6.880 1.00 0.30 H new ATOM 0 HB2 LEU A 77 4.773 2.496 -5.206 1.00 0.35 H new ATOM 0 HB3 LEU A 77 5.870 3.843 -5.442 1.00 0.35 H new ATOM 0 HG LEU A 77 4.353 2.409 -7.643 1.00 0.41 H new ATOM 0 HD11 LEU A 77 3.046 4.488 -7.785 1.00 0.49 H new ATOM 0 HD12 LEU A 77 2.879 3.705 -6.196 1.00 0.49 H new ATOM 0 HD13 LEU A 77 3.928 5.131 -6.380 1.00 0.49 H new ATOM 0 HD21 LEU A 77 5.121 4.264 -9.077 1.00 0.45 H new ATOM 0 HD22 LEU A 77 6.090 4.899 -7.726 1.00 0.45 H new ATOM 0 HD23 LEU A 77 6.483 3.316 -8.435 1.00 0.45 H new ATOM 1162 N ILE A 78 7.102 0.961 -3.916 1.00 0.27 N ATOM 1163 CA ILE A 78 7.868 0.718 -2.702 1.00 0.29 C ATOM 1164 C ILE A 78 9.198 0.061 -3.051 1.00 0.30 C ATOM 1165 O ILE A 78 10.243 0.533 -2.638 1.00 0.31 O ATOM 1166 CB ILE A 78 7.110 -0.193 -1.695 1.00 0.30 C ATOM 1167 CG1 ILE A 78 5.809 0.469 -1.224 1.00 0.31 C ATOM 1168 CG2 ILE A 78 8.004 -0.520 -0.491 1.00 0.38 C ATOM 1169 CD1 ILE A 78 6.018 1.793 -0.518 1.00 0.38 C ATOM 0 H ILE A 78 6.254 0.400 -4.000 1.00 0.27 H new ATOM 0 HA ILE A 78 8.028 1.687 -2.229 1.00 0.29 H new ATOM 0 HB ILE A 78 6.854 -1.121 -2.207 1.00 0.30 H new ATOM 0 HG12 ILE A 78 5.159 0.626 -2.085 1.00 0.31 H new ATOM 0 HG13 ILE A 78 5.288 -0.213 -0.552 1.00 0.31 H new ATOM 0 HG21 ILE A 78 7.459 -1.158 0.204 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.900 -1.038 -0.833 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.289 0.404 0.012 1.00 0.38 H new ATOM 0 HD11 ILE A 78 5.053 2.200 -0.215 1.00 0.38 H new ATOM 0 HD12 ILE A 78 6.641 1.641 0.363 1.00 0.38 H new ATOM 0 HD13 ILE A 78 6.510 2.492 -1.194 1.00 0.38 H new ATOM 1181 N ASN A 79 9.145 -1.019 -3.811 1.00 0.34 N ATOM 1182 CA ASN A 79 10.355 -1.775 -4.183 1.00 0.41 C ATOM 1183 C ASN A 79 11.360 -0.916 -4.924 1.00 0.38 C ATOM 1184 O ASN A 79 12.564 -0.977 -4.648 1.00 0.42 O ATOM 1185 CB ASN A 79 10.016 -3.036 -4.979 1.00 0.53 C ATOM 1186 CG ASN A 79 9.228 -4.032 -4.156 1.00 0.50 C ATOM 1187 OD1 ASN A 79 9.360 -4.085 -2.941 1.00 1.18 O ATOM 1188 ND2 ASN A 79 8.418 -4.828 -4.800 1.00 0.63 N ATOM 0 H ASN A 79 8.279 -1.403 -4.190 1.00 0.34 H new ATOM 0 HA ASN A 79 10.822 -2.089 -3.250 1.00 0.41 H new ATOM 0 HB2 ASN A 79 9.442 -2.762 -5.864 1.00 0.53 H new ATOM 0 HB3 ASN A 79 10.937 -3.503 -5.328 1.00 0.53 H new ATOM 0 HD21 ASN A 79 7.871 -5.521 -4.289 1.00 0.63 H new ATOM 0 HD22 ASN A 79 8.332 -4.757 -5.814 1.00 0.63 H new ATOM 1195 N GLY A 80 10.865 -0.083 -5.834 1.00 0.38 N ATOM 1196 CA GLY A 80 11.727 0.848 -6.542 1.00 0.42 C ATOM 1197 C GLY A 80 12.360 1.844 -5.584 1.00 0.38 C ATOM 1198 O GLY A 80 13.530 2.219 -5.728 1.00 0.46 O ATOM 0 H GLY A 80 9.880 -0.036 -6.095 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.507 0.298 -7.068 1.00 0.42 H new ATOM 0 HA3 GLY A 80 11.149 1.381 -7.297 1.00 0.42 H new ATOM 1202 N ALA A 81 11.603 2.230 -4.575 1.00 0.31 N ATOM 1203 CA ALA A 81 12.081 3.146 -3.569 1.00 0.32 C ATOM 1204 C ALA A 81 13.122 2.465 -2.682 1.00 0.33 C ATOM 1205 O ALA A 81 14.146 3.051 -2.391 1.00 0.45 O ATOM 1206 CB ALA A 81 10.925 3.700 -2.744 1.00 0.33 C ATOM 0 H ALA A 81 10.643 1.916 -4.434 1.00 0.31 H new ATOM 0 HA ALA A 81 12.561 3.989 -4.067 1.00 0.32 H new ATOM 0 HB1 ALA A 81 11.311 4.388 -1.992 1.00 0.33 H new ATOM 0 HB2 ALA A 81 10.232 4.229 -3.398 1.00 0.33 H new ATOM 0 HB3 ALA A 81 10.404 2.879 -2.251 1.00 0.33 H new ATOM 1212 N LEU A 82 12.872 1.194 -2.322 1.00 0.29 N ATOM 1213 CA LEU A 82 13.781 0.366 -1.484 1.00 0.36 C ATOM 1214 C LEU A 82 15.191 0.264 -2.067 1.00 0.46 C ATOM 1215 O LEU A 82 16.171 0.077 -1.326 1.00 0.61 O ATOM 1216 CB LEU A 82 13.213 -1.052 -1.289 1.00 0.42 C ATOM 1217 CG LEU A 82 11.994 -1.190 -0.372 1.00 0.55 C ATOM 1218 CD1 LEU A 82 11.464 -2.613 -0.415 1.00 0.74 C ATOM 1219 CD2 LEU A 82 12.374 -0.824 1.057 1.00 0.67 C ATOM 0 H LEU A 82 12.025 0.700 -2.604 1.00 0.29 H new ATOM 0 HA LEU A 82 13.849 0.873 -0.522 1.00 0.36 H new ATOM 0 HB2 LEU A 82 12.947 -1.449 -2.269 1.00 0.42 H new ATOM 0 HB3 LEU A 82 14.008 -1.685 -0.894 1.00 0.42 H new ATOM 0 HG LEU A 82 11.215 -0.512 -0.720 1.00 0.55 H new ATOM 0 HD11 LEU A 82 10.598 -2.699 0.241 1.00 0.74 H new ATOM 0 HD12 LEU A 82 11.173 -2.862 -1.435 1.00 0.74 H new ATOM 0 HD13 LEU A 82 12.241 -3.301 -0.081 1.00 0.74 H new ATOM 0 HD21 LEU A 82 11.502 -0.925 1.703 1.00 0.67 H new ATOM 0 HD22 LEU A 82 13.163 -1.491 1.406 1.00 0.67 H new ATOM 0 HD23 LEU A 82 12.730 0.206 1.086 1.00 0.67 H new ATOM 1231 N ALA A 83 15.290 0.381 -3.385 1.00 0.54 N ATOM 1232 CA ALA A 83 16.568 0.342 -4.081 1.00 0.69 C ATOM 1233 C ALA A 83 17.477 1.504 -3.657 1.00 0.73 C ATOM 1234 O ALA A 83 18.697 1.397 -3.705 1.00 0.84 O ATOM 1235 CB ALA A 83 16.353 0.355 -5.582 1.00 0.88 C ATOM 0 H ALA A 83 14.486 0.506 -4.001 1.00 0.54 H new ATOM 0 HA ALA A 83 17.069 -0.586 -3.805 1.00 0.69 H new ATOM 0 HB1 ALA A 83 17.318 0.326 -6.088 1.00 0.88 H new ATOM 0 HB2 ALA A 83 15.764 -0.515 -5.873 1.00 0.88 H new ATOM 0 HB3 ALA A 83 15.822 1.264 -5.866 1.00 0.88 H new ATOM 1241 N GLU A 84 16.874 2.593 -3.232 1.00 0.82 N ATOM 1242 CA GLU A 84 17.617 3.762 -2.774 1.00 1.07 C ATOM 1243 C GLU A 84 17.403 3.973 -1.272 1.00 1.53 C ATOM 1244 O GLU A 84 18.342 4.280 -0.526 1.00 1.82 O ATOM 1245 CB GLU A 84 17.164 5.013 -3.548 1.00 1.50 C ATOM 1246 CG GLU A 84 17.788 6.309 -3.048 1.00 2.18 C ATOM 1247 CD GLU A 84 17.326 7.521 -3.807 1.00 2.92 C ATOM 1248 OE1 GLU A 84 16.157 7.924 -3.660 1.00 3.64 O ATOM 1249 OE2 GLU A 84 18.134 8.125 -4.530 1.00 3.21 O ATOM 0 H GLU A 84 15.860 2.700 -3.192 1.00 0.82 H new ATOM 0 HA GLU A 84 18.678 3.594 -2.958 1.00 1.07 H new ATOM 0 HB2 GLU A 84 17.411 4.885 -4.602 1.00 1.50 H new ATOM 0 HB3 GLU A 84 16.079 5.095 -3.483 1.00 1.50 H new ATOM 0 HG2 GLU A 84 17.548 6.436 -1.992 1.00 2.18 H new ATOM 0 HG3 GLU A 84 18.873 6.234 -3.122 1.00 2.18 H new ATOM 1256 N ALA A 85 16.162 3.779 -0.860 1.00 2.09 N ATOM 1257 CA ALA A 85 15.670 4.011 0.483 1.00 2.99 C ATOM 1258 C ALA A 85 15.705 5.501 0.816 1.00 3.79 C ATOM 1259 O ALA A 85 14.837 6.253 0.341 1.00 4.38 O ATOM 1260 CB ALA A 85 16.332 3.115 1.546 1.00 3.58 C ATOM 0 H ALA A 85 15.434 3.438 -1.488 1.00 2.09 H new ATOM 0 HA ALA A 85 14.625 3.703 0.507 1.00 2.99 H new ATOM 0 HB1 ALA A 85 15.914 3.344 2.526 1.00 3.58 H new ATOM 0 HB2 ALA A 85 16.144 2.068 1.308 1.00 3.58 H new ATOM 0 HB3 ALA A 85 17.407 3.297 1.558 1.00 3.58 H new ATOM 1266 N ALA A 86 16.729 5.944 1.515 1.00 4.29 N ATOM 1267 CA ALA A 86 16.881 7.331 1.890 1.00 5.37 C ATOM 1268 C ALA A 86 18.285 7.527 2.398 1.00 6.06 C ATOM 1269 O ALA A 86 18.538 7.245 3.587 1.00 6.58 O ATOM 1270 CB ALA A 86 15.856 7.739 2.956 1.00 6.00 C ATOM 1271 OXT ALA A 86 19.162 7.909 1.603 1.00 6.33 O ATOM 0 H ALA A 86 17.486 5.344 1.841 1.00 4.29 H new ATOM 0 HA ALA A 86 16.702 7.965 1.021 1.00 5.37 H new ATOM 0 HB1 ALA A 86 15.999 8.788 3.215 1.00 6.00 H new ATOM 0 HB2 ALA A 86 14.848 7.595 2.566 1.00 6.00 H new ATOM 0 HB3 ALA A 86 15.992 7.124 3.846 1.00 6.00 H new TER 1277 ALA A 86 HETATM 1278 P24 SXA A 87 -5.918 12.236 -0.833 1.00 1.37 P HETATM 1279 O26 SXA A 87 -4.621 12.198 -1.663 1.00 2.26 O HETATM 1280 O23 SXA A 87 -7.267 12.482 -1.589 1.00 1.84 O HETATM 1281 O27 SXA A 87 -5.756 13.368 0.225 1.00 1.75 O HETATM 1282 C28 SXA A 87 -6.875 13.651 1.137 1.00 2.13 C HETATM 1283 C29 SXA A 87 -6.551 14.844 2.056 1.00 3.11 C HETATM 1284 C30 SXA A 87 -5.377 14.410 2.937 1.00 3.58 C HETATM 1285 C31 SXA A 87 -6.157 16.072 1.216 1.00 3.66 C HETATM 1286 C32 SXA A 87 -7.849 15.186 2.926 1.00 3.95 C HETATM 1287 O33 SXA A 87 -8.978 15.361 2.072 1.00 4.27 O HETATM 1288 C34 SXA A 87 -7.704 16.486 3.745 1.00 4.82 C HETATM 1289 O35 SXA A 87 -8.504 17.417 3.551 1.00 5.39 O HETATM 1290 N36 SXA A 87 -6.724 16.560 4.609 1.00 5.21 N HETATM 1291 C37 SXA A 87 -6.429 17.711 5.458 1.00 6.20 C HETATM 1292 C38 SXA A 87 -5.114 17.537 6.224 1.00 6.79 C HETATM 1293 C39 SXA A 87 -3.875 17.465 5.320 1.00 6.69 C HETATM 1294 O40 SXA A 87 -3.939 17.695 4.105 1.00 7.13 O HETATM 1295 N41 SXA A 87 -2.758 17.132 5.941 1.00 6.49 N HETATM 1296 C42 SXA A 87 -1.455 16.996 5.296 1.00 6.81 C HETATM 1297 C43 SXA A 87 -0.363 16.723 6.313 1.00 6.95 C HETATM 1298 S1 SXA A 87 -0.763 15.297 7.207 1.00 7.34 S HETATM 1299 C1 SXA A 87 0.565 15.306 8.332 1.00 7.74 C HETATM 1300 O1 SXA A 87 1.512 16.118 8.303 1.00 7.80 O HETATM 1301 C2 SXA A 87 0.486 14.233 9.400 1.00 8.41 C HETATM 0 HO33 SXA A 87 -9.393 16.231 2.252 1.00 4.27 H new HETATM 0 HN41 SXA A 87 -2.809 16.957 6.945 1.00 6.49 H new HETATM 0 HN36 SXA A 87 -6.116 15.746 4.697 1.00 5.21 H new HETATM 0 H43A SXA A 87 0.595 16.595 5.810 1.00 6.95 H new HETATM 0 H42A SXA A 87 -1.489 16.184 4.569 1.00 6.81 H new HETATM 0 H38A SXA A 87 -4.997 18.368 6.920 1.00 6.79 H new HETATM 0 H37A SXA A 87 -6.375 18.610 4.844 1.00 6.20 H new HETATM 0 H31B SXA A 87 -5.278 15.836 0.616 1.00 3.66 H new HETATM 0 H31A SXA A 87 -6.983 16.343 0.558 1.00 3.66 H new HETATM 0 H30B SXA A 87 -5.664 13.536 3.521 1.00 3.58 H new HETATM 0 H30A SXA A 87 -4.523 14.161 2.308 1.00 3.58 H new HETATM 0 H28A SXA A 87 -7.774 13.866 0.559 1.00 2.13 H new HETATM 0 H43 SXA A 87 -0.257 17.572 6.988 1.00 6.95 H new HETATM 0 H42 SXA A 87 -1.222 17.907 4.745 1.00 6.81 H new HETATM 0 H38 SXA A 87 -5.170 16.627 6.821 1.00 6.79 H new HETATM 0 H37 SXA A 87 -7.244 17.858 6.166 1.00 6.20 H new HETATM 0 H32 SXA A 87 -7.976 14.347 3.610 1.00 3.95 H new HETATM 0 H31 SXA A 87 -5.931 16.908 1.878 1.00 3.66 H new HETATM 0 H30 SXA A 87 -5.107 15.224 3.610 1.00 3.58 H new HETATM 0 H2B SXA A 87 -0.426 14.366 9.983 1.00 8.41 H new HETATM 0 H2A SXA A 87 0.475 13.250 8.928 1.00 8.41 H new HETATM 0 H28 SXA A 87 -7.088 12.769 1.741 1.00 2.13 H new HETATM 0 H2 SXA A 87 1.352 14.310 10.058 1.00 8.41 H new