USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 656 hydrogens (27 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 SER OG : rot -27:sc= 0.66 USER MOD Set 1.2: A 48 THR OG1 : rot -49:sc= 0.397 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.153 (180deg=-0.806) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0274 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 112:sc= 1.26 USER MOD Single : A 40 TYR OH : rot 90:sc= 0.182 USER MOD Single : A 46 MET CE :methyl -135:sc=-0.00188 (180deg=-2.31!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 38:sc= 1.23 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -160:sc= 0.265 USER MOD Single : A 79 ASN : amide:sc= 0.0472 X(o=0.047,f=-0.11) USER MOD Single : A 87 SXV O33 : rot -124:sc= 0.171 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.403 -9.355 -5.443 1.00 2.87 N ATOM 2 CA MET A 1 19.381 -9.746 -4.488 1.00 2.67 C ATOM 3 C MET A 1 18.501 -8.556 -4.175 1.00 2.47 C ATOM 4 O MET A 1 18.963 -7.563 -3.625 1.00 2.83 O ATOM 5 CB MET A 1 20.009 -10.281 -3.198 1.00 3.14 C ATOM 6 CG MET A 1 18.992 -10.628 -2.115 1.00 3.63 C ATOM 7 SD MET A 1 19.748 -11.221 -0.588 1.00 4.48 S ATOM 8 CE MET A 1 20.786 -9.818 -0.152 1.00 5.01 C ATOM 0 H1 MET A 1 21.008 -10.173 -5.658 1.00 2.87 H new ATOM 0 H2 MET A 1 19.951 -9.019 -6.317 1.00 2.87 H new ATOM 0 H3 MET A 1 20.983 -8.592 -5.038 1.00 2.87 H new ATOM 0 HA MET A 1 18.781 -10.542 -4.930 1.00 2.67 H new ATOM 0 HB2 MET A 1 20.594 -11.170 -3.432 1.00 3.14 H new ATOM 0 HB3 MET A 1 20.702 -9.537 -2.807 1.00 3.14 H new ATOM 0 HG2 MET A 1 18.390 -9.746 -1.895 1.00 3.63 H new ATOM 0 HG3 MET A 1 18.313 -11.391 -2.496 1.00 3.63 H new ATOM 0 HE1 MET A 1 21.020 -9.856 0.912 1.00 5.01 H new ATOM 0 HE2 MET A 1 21.710 -9.856 -0.729 1.00 5.01 H new ATOM 0 HE3 MET A 1 20.257 -8.891 -0.374 1.00 5.01 H new ATOM 20 N ALA A 2 17.267 -8.641 -4.554 1.00 2.15 N ATOM 21 CA ALA A 2 16.312 -7.610 -4.282 1.00 2.02 C ATOM 22 C ALA A 2 15.124 -8.223 -3.591 1.00 1.59 C ATOM 23 O ALA A 2 14.438 -9.081 -4.161 1.00 1.59 O ATOM 24 CB ALA A 2 15.886 -6.910 -5.570 1.00 2.33 C ATOM 0 H ALA A 2 16.887 -9.436 -5.067 1.00 2.15 H new ATOM 0 HA ALA A 2 16.763 -6.857 -3.636 1.00 2.02 H new ATOM 0 HB1 ALA A 2 15.160 -6.131 -5.338 1.00 2.33 H new ATOM 0 HB2 ALA A 2 16.758 -6.463 -6.047 1.00 2.33 H new ATOM 0 HB3 ALA A 2 15.435 -7.636 -6.247 1.00 2.33 H new ATOM 30 N THR A 3 14.901 -7.836 -2.377 1.00 1.52 N ATOM 31 CA THR A 3 13.795 -8.325 -1.625 1.00 1.28 C ATOM 32 C THR A 3 12.598 -7.456 -1.962 1.00 1.04 C ATOM 33 O THR A 3 12.528 -6.302 -1.558 1.00 1.23 O ATOM 34 CB THR A 3 14.108 -8.196 -0.140 1.00 1.66 C ATOM 35 OG1 THR A 3 15.371 -8.853 0.171 1.00 2.10 O ATOM 36 CG2 THR A 3 12.992 -8.788 0.711 1.00 2.36 C ATOM 0 H THR A 3 15.486 -7.167 -1.877 1.00 1.52 H new ATOM 0 HA THR A 3 13.593 -9.370 -1.860 1.00 1.28 H new ATOM 0 HB THR A 3 14.190 -7.134 0.093 1.00 1.66 H new ATOM 0 HG1 THR A 3 15.561 -8.761 1.128 1.00 2.10 H new ATOM 0 HG21 THR A 3 13.244 -8.681 1.766 1.00 2.36 H new ATOM 0 HG22 THR A 3 12.060 -8.262 0.505 1.00 2.36 H new ATOM 0 HG23 THR A 3 12.873 -9.845 0.471 1.00 2.36 H new ATOM 44 N LEU A 4 11.694 -7.982 -2.734 1.00 0.77 N ATOM 45 CA LEU A 4 10.559 -7.216 -3.165 1.00 0.59 C ATOM 46 C LEU A 4 9.292 -7.826 -2.642 1.00 0.58 C ATOM 47 O LEU A 4 9.034 -9.015 -2.857 1.00 0.79 O ATOM 48 CB LEU A 4 10.514 -7.131 -4.700 1.00 0.63 C ATOM 49 CG LEU A 4 11.738 -6.506 -5.386 1.00 0.70 C ATOM 50 CD1 LEU A 4 11.564 -6.507 -6.891 1.00 0.86 C ATOM 51 CD2 LEU A 4 11.980 -5.091 -4.885 1.00 0.64 C ATOM 0 H LEU A 4 11.719 -8.941 -3.080 1.00 0.77 H new ATOM 0 HA LEU A 4 10.654 -6.206 -2.766 1.00 0.59 H new ATOM 0 HB2 LEU A 4 10.379 -8.138 -5.094 1.00 0.63 H new ATOM 0 HB3 LEU A 4 9.632 -6.556 -4.985 1.00 0.63 H new ATOM 0 HG LEU A 4 12.609 -7.111 -5.135 1.00 0.70 H new ATOM 0 HD11 LEU A 4 12.441 -6.060 -7.359 1.00 0.86 H new ATOM 0 HD12 LEU A 4 11.447 -7.532 -7.243 1.00 0.86 H new ATOM 0 HD13 LEU A 4 10.678 -5.929 -7.155 1.00 0.86 H new ATOM 0 HD21 LEU A 4 12.852 -4.672 -5.387 1.00 0.64 H new ATOM 0 HD22 LEU A 4 11.107 -4.475 -5.099 1.00 0.64 H new ATOM 0 HD23 LEU A 4 12.155 -5.111 -3.809 1.00 0.64 H new ATOM 63 N LEU A 5 8.519 -7.044 -1.930 1.00 0.53 N ATOM 64 CA LEU A 5 7.255 -7.515 -1.428 1.00 0.58 C ATOM 65 C LEU A 5 6.253 -7.554 -2.562 1.00 0.47 C ATOM 66 O LEU A 5 6.277 -6.688 -3.458 1.00 0.54 O ATOM 67 CB LEU A 5 6.776 -6.692 -0.199 1.00 0.85 C ATOM 68 CG LEU A 5 6.568 -5.164 -0.347 1.00 0.59 C ATOM 69 CD1 LEU A 5 5.271 -4.820 -1.055 1.00 0.85 C ATOM 70 CD2 LEU A 5 6.606 -4.503 1.005 1.00 1.27 C ATOM 0 H LEU A 5 8.744 -6.079 -1.686 1.00 0.53 H new ATOM 0 HA LEU A 5 7.367 -8.532 -1.052 1.00 0.58 H new ATOM 0 HB2 LEU A 5 5.831 -7.121 0.135 1.00 0.85 H new ATOM 0 HB3 LEU A 5 7.498 -6.849 0.602 1.00 0.85 H new ATOM 0 HG LEU A 5 7.383 -4.788 -0.965 1.00 0.59 H new ATOM 0 HD11 LEU A 5 5.175 -3.737 -1.132 1.00 0.85 H new ATOM 0 HD12 LEU A 5 5.275 -5.256 -2.054 1.00 0.85 H new ATOM 0 HD13 LEU A 5 4.430 -5.219 -0.488 1.00 0.85 H new ATOM 0 HD21 LEU A 5 6.459 -3.429 0.889 1.00 1.27 H new ATOM 0 HD22 LEU A 5 5.814 -4.912 1.632 1.00 1.27 H new ATOM 0 HD23 LEU A 5 7.573 -4.688 1.474 1.00 1.27 H new ATOM 82 N THR A 6 5.445 -8.547 -2.570 1.00 0.43 N ATOM 83 CA THR A 6 4.513 -8.748 -3.626 1.00 0.48 C ATOM 84 C THR A 6 3.101 -8.296 -3.252 1.00 0.49 C ATOM 85 O THR A 6 2.887 -7.672 -2.191 1.00 0.52 O ATOM 86 CB THR A 6 4.530 -10.213 -4.031 1.00 0.58 C ATOM 87 OG1 THR A 6 4.468 -11.004 -2.830 1.00 0.64 O ATOM 88 CG2 THR A 6 5.799 -10.539 -4.801 1.00 0.76 C ATOM 0 H THR A 6 5.408 -9.255 -1.837 1.00 0.43 H new ATOM 0 HA THR A 6 4.815 -8.130 -4.471 1.00 0.48 H new ATOM 0 HB THR A 6 3.680 -10.430 -4.678 1.00 0.58 H new ATOM 0 HG1 THR A 6 4.476 -11.956 -3.064 1.00 0.64 H new ATOM 0 HG21 THR A 6 5.793 -11.592 -5.083 1.00 0.76 H new ATOM 0 HG22 THR A 6 5.848 -9.923 -5.699 1.00 0.76 H new ATOM 0 HG23 THR A 6 6.667 -10.336 -4.174 1.00 0.76 H new ATOM 96 N THR A 7 2.150 -8.633 -4.103 1.00 0.56 N ATOM 97 CA THR A 7 0.753 -8.303 -3.928 1.00 0.62 C ATOM 98 C THR A 7 0.227 -8.955 -2.641 1.00 0.64 C ATOM 99 O THR A 7 -0.560 -8.370 -1.913 1.00 0.73 O ATOM 100 CB THR A 7 -0.033 -8.843 -5.134 1.00 0.74 C ATOM 101 OG1 THR A 7 0.632 -8.436 -6.352 1.00 1.34 O ATOM 102 CG2 THR A 7 -1.457 -8.312 -5.128 1.00 1.19 C ATOM 0 H THR A 7 2.336 -9.158 -4.957 1.00 0.56 H new ATOM 0 HA THR A 7 0.632 -7.222 -3.856 1.00 0.62 H new ATOM 0 HB THR A 7 -0.071 -9.931 -5.074 1.00 0.74 H new ATOM 0 HG1 THR A 7 0.137 -8.779 -7.125 1.00 1.34 H new ATOM 0 HG21 THR A 7 -1.996 -8.706 -5.990 1.00 1.19 H new ATOM 0 HG22 THR A 7 -1.958 -8.625 -4.212 1.00 1.19 H new ATOM 0 HG23 THR A 7 -1.440 -7.223 -5.178 1.00 1.19 H new ATOM 110 N ASP A 8 0.698 -10.160 -2.383 1.00 0.65 N ATOM 111 CA ASP A 8 0.355 -10.936 -1.196 1.00 0.71 C ATOM 112 C ASP A 8 0.710 -10.185 0.088 1.00 0.65 C ATOM 113 O ASP A 8 -0.070 -10.150 1.046 1.00 0.69 O ATOM 114 CB ASP A 8 1.086 -12.281 -1.242 1.00 0.86 C ATOM 115 CG ASP A 8 0.884 -13.113 -0.003 1.00 1.61 C ATOM 116 OD1 ASP A 8 -0.191 -13.727 0.150 1.00 1.74 O ATOM 117 OD2 ASP A 8 1.796 -13.170 0.850 1.00 2.44 O ATOM 0 H ASP A 8 1.346 -10.643 -3.005 1.00 0.65 H new ATOM 0 HA ASP A 8 -0.722 -11.101 -1.191 1.00 0.71 H new ATOM 0 HB2 ASP A 8 0.741 -12.844 -2.109 1.00 0.86 H new ATOM 0 HB3 ASP A 8 2.152 -12.102 -1.381 1.00 0.86 H new ATOM 122 N ASP A 9 1.862 -9.542 0.083 1.00 0.60 N ATOM 123 CA ASP A 9 2.326 -8.807 1.255 1.00 0.61 C ATOM 124 C ASP A 9 1.534 -7.524 1.371 1.00 0.56 C ATOM 125 O ASP A 9 1.108 -7.120 2.463 1.00 0.62 O ATOM 126 CB ASP A 9 3.792 -8.459 1.127 1.00 0.64 C ATOM 127 CG ASP A 9 4.479 -8.352 2.464 1.00 1.13 C ATOM 128 OD1 ASP A 9 3.903 -7.717 3.361 1.00 2.06 O ATOM 129 OD2 ASP A 9 5.630 -8.791 2.620 1.00 1.32 O ATOM 0 H ASP A 9 2.496 -9.511 -0.715 1.00 0.60 H new ATOM 0 HA ASP A 9 2.187 -9.432 2.137 1.00 0.61 H new ATOM 0 HB2 ASP A 9 4.291 -9.219 0.526 1.00 0.64 H new ATOM 0 HB3 ASP A 9 3.892 -7.514 0.594 1.00 0.64 H new ATOM 134 N LEU A 10 1.323 -6.897 0.222 1.00 0.52 N ATOM 135 CA LEU A 10 0.528 -5.690 0.121 1.00 0.51 C ATOM 136 C LEU A 10 -0.874 -5.943 0.671 1.00 0.52 C ATOM 137 O LEU A 10 -1.396 -5.147 1.438 1.00 0.58 O ATOM 138 CB LEU A 10 0.457 -5.234 -1.344 1.00 0.50 C ATOM 139 CG LEU A 10 -0.395 -3.999 -1.639 1.00 0.51 C ATOM 140 CD1 LEU A 10 0.120 -2.794 -0.877 1.00 0.60 C ATOM 141 CD2 LEU A 10 -0.413 -3.722 -3.129 1.00 0.56 C ATOM 0 H LEU A 10 1.703 -7.217 -0.669 1.00 0.52 H new ATOM 0 HA LEU A 10 0.995 -4.901 0.710 1.00 0.51 H new ATOM 0 HB2 LEU A 10 1.472 -5.037 -1.688 1.00 0.50 H new ATOM 0 HB3 LEU A 10 0.073 -6.062 -1.940 1.00 0.50 H new ATOM 0 HG LEU A 10 -1.415 -4.195 -1.308 1.00 0.51 H new ATOM 0 HD11 LEU A 10 -0.502 -1.928 -1.103 1.00 0.60 H new ATOM 0 HD12 LEU A 10 0.084 -2.998 0.193 1.00 0.60 H new ATOM 0 HD13 LEU A 10 1.149 -2.589 -1.173 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -1.023 -2.841 -3.328 1.00 0.56 H new ATOM 0 HD22 LEU A 10 0.604 -3.546 -3.479 1.00 0.56 H new ATOM 0 HD23 LEU A 10 -0.834 -4.580 -3.654 1.00 0.56 H new ATOM 153 N ARG A 11 -1.443 -7.083 0.298 1.00 0.51 N ATOM 154 CA ARG A 11 -2.760 -7.496 0.744 1.00 0.54 C ATOM 155 C ARG A 11 -2.809 -7.562 2.258 1.00 0.53 C ATOM 156 O ARG A 11 -3.617 -6.875 2.881 1.00 0.57 O ATOM 157 CB ARG A 11 -3.101 -8.872 0.195 1.00 0.60 C ATOM 158 CG ARG A 11 -4.527 -9.320 0.485 1.00 0.82 C ATOM 159 CD ARG A 11 -4.701 -10.802 0.222 1.00 0.98 C ATOM 160 NE ARG A 11 -4.233 -11.197 -1.112 1.00 1.50 N ATOM 161 CZ ARG A 11 -3.245 -12.083 -1.322 1.00 2.13 C ATOM 162 NH1 ARG A 11 -2.581 -12.594 -0.279 1.00 2.32 N ATOM 163 NH2 ARG A 11 -2.906 -12.430 -2.556 1.00 3.08 N ATOM 0 H ARG A 11 -0.995 -7.751 -0.329 1.00 0.51 H new ATOM 0 HA ARG A 11 -3.479 -6.763 0.380 1.00 0.54 H new ATOM 0 HB2 ARG A 11 -2.944 -8.870 -0.884 1.00 0.60 H new ATOM 0 HB3 ARG A 11 -2.409 -9.601 0.617 1.00 0.60 H new ATOM 0 HG2 ARG A 11 -4.776 -9.101 1.523 1.00 0.82 H new ATOM 0 HG3 ARG A 11 -5.222 -8.754 -0.135 1.00 0.82 H new ATOM 0 HD2 ARG A 11 -4.155 -11.368 0.977 1.00 0.98 H new ATOM 0 HD3 ARG A 11 -5.754 -11.065 0.326 1.00 0.98 H new ATOM 0 HE ARG A 11 -4.683 -10.775 -1.925 1.00 1.50 H new ATOM 0 HH11 ARG A 11 -2.826 -12.311 0.670 1.00 2.32 H new ATOM 0 HH12 ARG A 11 -1.830 -13.267 -0.433 1.00 2.32 H new ATOM 0 HH21 ARG A 11 -3.396 -12.024 -3.353 1.00 3.08 H new ATOM 0 HH22 ARG A 11 -2.155 -13.103 -2.708 1.00 3.08 H new ATOM 177 N ARG A 12 -1.907 -8.359 2.850 1.00 0.54 N ATOM 178 CA ARG A 12 -1.912 -8.551 4.306 1.00 0.59 C ATOM 179 C ARG A 12 -1.753 -7.221 5.066 1.00 0.61 C ATOM 180 O ARG A 12 -2.442 -6.983 6.059 1.00 0.66 O ATOM 181 CB ARG A 12 -0.894 -9.622 4.783 1.00 0.72 C ATOM 182 CG ARG A 12 0.554 -9.300 4.508 1.00 0.94 C ATOM 183 CD ARG A 12 1.509 -10.318 5.131 1.00 1.09 C ATOM 184 NE ARG A 12 2.925 -10.021 4.816 1.00 1.71 N ATOM 185 CZ ARG A 12 3.997 -10.702 5.283 1.00 2.06 C ATOM 186 NH1 ARG A 12 3.860 -11.636 6.222 1.00 1.90 N ATOM 187 NH2 ARG A 12 5.211 -10.416 4.822 1.00 3.10 N ATOM 0 H ARG A 12 -1.178 -8.872 2.354 1.00 0.54 H new ATOM 0 HA ARG A 12 -2.898 -8.945 4.553 1.00 0.59 H new ATOM 0 HB2 ARG A 12 -1.020 -9.767 5.856 1.00 0.72 H new ATOM 0 HB3 ARG A 12 -1.136 -10.570 4.302 1.00 0.72 H new ATOM 0 HG2 ARG A 12 0.717 -9.266 3.431 1.00 0.94 H new ATOM 0 HG3 ARG A 12 0.782 -8.308 4.897 1.00 0.94 H new ATOM 0 HD2 ARG A 12 1.373 -10.327 6.212 1.00 1.09 H new ATOM 0 HD3 ARG A 12 1.260 -11.316 4.770 1.00 1.09 H new ATOM 0 HE ARG A 12 3.108 -9.235 4.193 1.00 1.71 H new ATOM 0 HH11 ARG A 12 2.937 -11.847 6.600 1.00 1.90 H new ATOM 0 HH12 ARG A 12 4.678 -12.140 6.563 1.00 1.90 H new ATOM 0 HH21 ARG A 12 5.331 -9.686 4.120 1.00 3.10 H new ATOM 0 HH22 ARG A 12 6.022 -10.926 5.171 1.00 3.10 H new ATOM 201 N ALA A 13 -0.921 -6.329 4.546 1.00 0.66 N ATOM 202 CA ALA A 13 -0.693 -5.037 5.184 1.00 0.77 C ATOM 203 C ALA A 13 -1.885 -4.105 4.994 1.00 0.66 C ATOM 204 O ALA A 13 -2.204 -3.290 5.874 1.00 0.70 O ATOM 205 CB ALA A 13 0.559 -4.395 4.643 1.00 0.95 C ATOM 0 H ALA A 13 -0.393 -6.475 3.686 1.00 0.66 H new ATOM 0 HA ALA A 13 -0.568 -5.213 6.253 1.00 0.77 H new ATOM 0 HB1 ALA A 13 0.714 -3.432 5.130 1.00 0.95 H new ATOM 0 HB2 ALA A 13 1.414 -5.042 4.839 1.00 0.95 H new ATOM 0 HB3 ALA A 13 0.456 -4.246 3.568 1.00 0.95 H new ATOM 211 N LEU A 14 -2.549 -4.233 3.860 1.00 0.58 N ATOM 212 CA LEU A 14 -3.703 -3.415 3.553 1.00 0.57 C ATOM 213 C LEU A 14 -4.881 -3.836 4.431 1.00 0.56 C ATOM 214 O LEU A 14 -5.695 -3.018 4.812 1.00 0.77 O ATOM 215 CB LEU A 14 -4.047 -3.488 2.053 1.00 0.59 C ATOM 216 CG LEU A 14 -5.137 -2.533 1.543 1.00 0.69 C ATOM 217 CD1 LEU A 14 -4.753 -1.090 1.805 1.00 1.09 C ATOM 218 CD2 LEU A 14 -5.361 -2.737 0.057 1.00 1.40 C ATOM 0 H LEU A 14 -2.304 -4.903 3.131 1.00 0.58 H new ATOM 0 HA LEU A 14 -3.472 -2.373 3.773 1.00 0.57 H new ATOM 0 HB2 LEU A 14 -3.136 -3.297 1.486 1.00 0.59 H new ATOM 0 HB3 LEU A 14 -4.356 -4.508 1.825 1.00 0.59 H new ATOM 0 HG LEU A 14 -6.059 -2.754 2.080 1.00 0.69 H new ATOM 0 HD11 LEU A 14 -5.539 -0.431 1.436 1.00 1.09 H new ATOM 0 HD12 LEU A 14 -4.625 -0.936 2.876 1.00 1.09 H new ATOM 0 HD13 LEU A 14 -3.819 -0.863 1.291 1.00 1.09 H new ATOM 0 HD21 LEU A 14 -6.136 -2.054 -0.291 1.00 1.40 H new ATOM 0 HD22 LEU A 14 -4.434 -2.539 -0.481 1.00 1.40 H new ATOM 0 HD23 LEU A 14 -5.674 -3.765 -0.126 1.00 1.40 H new ATOM 230 N VAL A 15 -4.950 -5.114 4.773 1.00 0.46 N ATOM 231 CA VAL A 15 -5.964 -5.594 5.716 1.00 0.49 C ATOM 232 C VAL A 15 -5.713 -4.930 7.077 1.00 0.52 C ATOM 233 O VAL A 15 -6.633 -4.406 7.704 1.00 0.66 O ATOM 234 CB VAL A 15 -5.921 -7.142 5.880 1.00 0.55 C ATOM 235 CG1 VAL A 15 -6.974 -7.612 6.874 1.00 0.67 C ATOM 236 CG2 VAL A 15 -6.137 -7.828 4.547 1.00 0.59 C ATOM 0 H VAL A 15 -4.324 -5.837 4.418 1.00 0.46 H new ATOM 0 HA VAL A 15 -6.948 -5.333 5.327 1.00 0.49 H new ATOM 0 HB VAL A 15 -4.935 -7.408 6.260 1.00 0.55 H new ATOM 0 HG11 VAL A 15 -6.924 -8.696 6.971 1.00 0.67 H new ATOM 0 HG12 VAL A 15 -6.789 -7.152 7.845 1.00 0.67 H new ATOM 0 HG13 VAL A 15 -7.964 -7.325 6.519 1.00 0.67 H new ATOM 0 HG21 VAL A 15 -6.103 -8.909 4.684 1.00 0.59 H new ATOM 0 HG22 VAL A 15 -7.109 -7.544 4.145 1.00 0.59 H new ATOM 0 HG23 VAL A 15 -5.354 -7.526 3.851 1.00 0.59 H new ATOM 246 N GLU A 16 -4.434 -4.892 7.472 1.00 0.48 N ATOM 247 CA GLU A 16 -3.984 -4.296 8.744 1.00 0.54 C ATOM 248 C GLU A 16 -4.313 -2.806 8.861 1.00 0.51 C ATOM 249 O GLU A 16 -4.245 -2.241 9.946 1.00 0.63 O ATOM 250 CB GLU A 16 -2.475 -4.502 8.940 1.00 0.64 C ATOM 251 CG GLU A 16 -2.088 -5.949 9.097 1.00 0.83 C ATOM 252 CD GLU A 16 -0.606 -6.151 9.147 1.00 1.12 C ATOM 253 OE1 GLU A 16 0.021 -5.913 10.221 1.00 1.14 O ATOM 254 OE2 GLU A 16 -0.033 -6.558 8.126 1.00 1.94 O ATOM 0 H GLU A 16 -3.672 -5.277 6.914 1.00 0.48 H new ATOM 0 HA GLU A 16 -4.535 -4.815 9.528 1.00 0.54 H new ATOM 0 HB2 GLU A 16 -1.944 -4.081 8.086 1.00 0.64 H new ATOM 0 HB3 GLU A 16 -2.151 -3.948 9.821 1.00 0.64 H new ATOM 0 HG2 GLU A 16 -2.535 -6.343 10.010 1.00 0.83 H new ATOM 0 HG3 GLU A 16 -2.500 -6.523 8.267 1.00 0.83 H new ATOM 261 N SER A 17 -4.675 -2.185 7.767 1.00 0.49 N ATOM 262 CA SER A 17 -4.966 -0.780 7.780 1.00 0.58 C ATOM 263 C SER A 17 -6.406 -0.531 8.284 1.00 0.66 C ATOM 264 O SER A 17 -6.608 0.060 9.354 1.00 0.98 O ATOM 265 CB SER A 17 -4.770 -0.228 6.380 1.00 0.62 C ATOM 266 OG SER A 17 -3.507 -0.645 5.863 1.00 1.38 O ATOM 0 H SER A 17 -4.774 -2.634 6.856 1.00 0.49 H new ATOM 0 HA SER A 17 -4.289 -0.267 8.463 1.00 0.58 H new ATOM 0 HB2 SER A 17 -5.572 -0.575 5.728 1.00 0.62 H new ATOM 0 HB3 SER A 17 -4.823 0.861 6.399 1.00 0.62 H new ATOM 0 HG SER A 17 -2.886 -0.802 6.604 1.00 1.38 H new ATOM 272 N ALA A 18 -7.393 -1.026 7.545 1.00 0.65 N ATOM 273 CA ALA A 18 -8.797 -0.839 7.910 1.00 0.88 C ATOM 274 C ALA A 18 -9.237 -1.805 8.995 1.00 0.85 C ATOM 275 O ALA A 18 -10.162 -1.516 9.755 1.00 1.04 O ATOM 276 CB ALA A 18 -9.696 -1.000 6.697 1.00 1.13 C ATOM 0 H ALA A 18 -7.249 -1.561 6.688 1.00 0.65 H new ATOM 0 HA ALA A 18 -8.888 0.175 8.299 1.00 0.88 H new ATOM 0 HB1 ALA A 18 -10.735 -0.857 6.993 1.00 1.13 H new ATOM 0 HB2 ALA A 18 -9.427 -0.259 5.944 1.00 1.13 H new ATOM 0 HB3 ALA A 18 -9.572 -2.000 6.282 1.00 1.13 H new ATOM 282 N GLY A 19 -8.609 -2.960 9.043 1.00 0.79 N ATOM 283 CA GLY A 19 -8.979 -3.974 10.006 1.00 0.97 C ATOM 284 C GLY A 19 -10.132 -4.809 9.493 1.00 1.18 C ATOM 285 O GLY A 19 -10.006 -6.024 9.305 1.00 1.57 O ATOM 0 H GLY A 19 -7.839 -3.220 8.426 1.00 0.79 H new ATOM 0 HA2 GLY A 19 -8.123 -4.616 10.211 1.00 0.97 H new ATOM 0 HA3 GLY A 19 -9.257 -3.502 10.948 1.00 0.97 H new ATOM 289 N GLU A 20 -11.237 -4.153 9.250 1.00 1.43 N ATOM 290 CA GLU A 20 -12.418 -4.779 8.725 1.00 1.75 C ATOM 291 C GLU A 20 -12.508 -4.554 7.221 1.00 1.79 C ATOM 292 O GLU A 20 -12.811 -3.447 6.760 1.00 2.30 O ATOM 293 CB GLU A 20 -13.672 -4.226 9.413 1.00 2.40 C ATOM 294 CG GLU A 20 -13.767 -4.538 10.898 1.00 3.14 C ATOM 295 CD GLU A 20 -13.903 -6.014 11.174 1.00 3.62 C ATOM 296 OE1 GLU A 20 -15.038 -6.543 11.120 1.00 4.15 O ATOM 297 OE2 GLU A 20 -12.905 -6.681 11.460 1.00 3.97 O ATOM 0 H GLU A 20 -11.341 -3.152 9.415 1.00 1.43 H new ATOM 0 HA GLU A 20 -12.356 -5.849 8.921 1.00 1.75 H new ATOM 0 HB2 GLU A 20 -13.697 -3.144 9.280 1.00 2.40 H new ATOM 0 HB3 GLU A 20 -14.553 -4.629 8.913 1.00 2.40 H new ATOM 0 HG2 GLU A 20 -12.879 -4.158 11.403 1.00 3.14 H new ATOM 0 HG3 GLU A 20 -14.623 -4.013 11.322 1.00 3.14 H new ATOM 304 N THR A 21 -12.183 -5.571 6.475 1.00 1.91 N ATOM 305 CA THR A 21 -12.320 -5.566 5.041 1.00 2.43 C ATOM 306 C THR A 21 -13.341 -6.641 4.661 1.00 2.45 C ATOM 307 O THR A 21 -13.056 -7.600 3.951 1.00 3.06 O ATOM 308 CB THR A 21 -10.949 -5.780 4.315 1.00 3.22 C ATOM 309 OG1 THR A 21 -10.237 -6.922 4.852 1.00 3.77 O ATOM 310 CG2 THR A 21 -10.071 -4.539 4.423 1.00 3.83 C ATOM 0 H THR A 21 -11.809 -6.443 6.850 1.00 1.91 H new ATOM 0 HA THR A 21 -12.672 -4.588 4.712 1.00 2.43 H new ATOM 0 HB THR A 21 -11.172 -5.969 3.265 1.00 3.22 H new ATOM 0 HG1 THR A 21 -9.387 -7.030 4.377 1.00 3.77 H new ATOM 0 HG21 THR A 21 -9.126 -4.716 3.910 1.00 3.83 H new ATOM 0 HG22 THR A 21 -10.580 -3.692 3.963 1.00 3.83 H new ATOM 0 HG23 THR A 21 -9.878 -4.320 5.473 1.00 3.83 H new ATOM 318 N ASP A 22 -14.528 -6.470 5.177 1.00 2.17 N ATOM 319 CA ASP A 22 -15.581 -7.459 5.049 1.00 2.48 C ATOM 320 C ASP A 22 -16.378 -7.256 3.780 1.00 2.10 C ATOM 321 O ASP A 22 -16.566 -8.187 3.001 1.00 2.55 O ATOM 322 CB ASP A 22 -16.482 -7.410 6.263 1.00 3.04 C ATOM 323 CG ASP A 22 -17.584 -8.419 6.216 1.00 3.67 C ATOM 324 OD1 ASP A 22 -17.295 -9.603 6.021 1.00 4.25 O ATOM 325 OD2 ASP A 22 -18.760 -8.033 6.288 1.00 3.96 O ATOM 0 H ASP A 22 -14.800 -5.639 5.702 1.00 2.17 H new ATOM 0 HA ASP A 22 -15.120 -8.445 4.989 1.00 2.48 H new ATOM 0 HB2 ASP A 22 -15.884 -7.576 7.159 1.00 3.04 H new ATOM 0 HB3 ASP A 22 -16.914 -6.413 6.348 1.00 3.04 H new ATOM 330 N GLY A 23 -16.783 -6.029 3.541 1.00 1.96 N ATOM 331 CA GLY A 23 -17.518 -5.709 2.336 1.00 2.00 C ATOM 332 C GLY A 23 -16.560 -5.288 1.255 1.00 1.94 C ATOM 333 O GLY A 23 -16.949 -4.945 0.136 1.00 2.20 O ATOM 0 H GLY A 23 -16.617 -5.238 4.163 1.00 1.96 H new ATOM 0 HA2 GLY A 23 -18.093 -6.575 2.009 1.00 2.00 H new ATOM 0 HA3 GLY A 23 -18.231 -4.909 2.535 1.00 2.00 H new ATOM 337 N THR A 24 -15.308 -5.320 1.607 1.00 1.83 N ATOM 338 CA THR A 24 -14.223 -4.977 0.748 1.00 1.80 C ATOM 339 C THR A 24 -13.344 -6.215 0.576 1.00 1.84 C ATOM 340 O THR A 24 -12.423 -6.440 1.367 1.00 1.90 O ATOM 341 CB THR A 24 -13.397 -3.872 1.425 1.00 1.83 C ATOM 342 OG1 THR A 24 -14.286 -2.838 1.875 1.00 1.96 O ATOM 343 CG2 THR A 24 -12.379 -3.279 0.465 1.00 1.85 C ATOM 0 H THR A 24 -15.007 -5.598 2.541 1.00 1.83 H new ATOM 0 HA THR A 24 -14.589 -4.632 -0.219 1.00 1.80 H new ATOM 0 HB THR A 24 -12.857 -4.306 2.267 1.00 1.83 H new ATOM 0 HG1 THR A 24 -13.769 -2.128 2.310 1.00 1.96 H new ATOM 0 HG21 THR A 24 -11.810 -2.500 0.973 1.00 1.85 H new ATOM 0 HG22 THR A 24 -11.700 -4.061 0.126 1.00 1.85 H new ATOM 0 HG23 THR A 24 -12.896 -2.850 -0.393 1.00 1.85 H new ATOM 351 N ASP A 25 -13.707 -7.078 -0.353 1.00 1.96 N ATOM 352 CA ASP A 25 -12.925 -8.276 -0.592 1.00 2.09 C ATOM 353 C ASP A 25 -11.568 -7.930 -1.161 1.00 1.62 C ATOM 354 O ASP A 25 -11.455 -7.298 -2.213 1.00 1.86 O ATOM 355 CB ASP A 25 -13.625 -9.285 -1.490 1.00 2.69 C ATOM 356 CG ASP A 25 -12.782 -10.532 -1.661 1.00 3.10 C ATOM 357 OD1 ASP A 25 -12.864 -11.446 -0.827 1.00 3.40 O ATOM 358 OD2 ASP A 25 -12.045 -10.634 -2.662 1.00 3.55 O ATOM 0 H ASP A 25 -14.529 -6.975 -0.949 1.00 1.96 H new ATOM 0 HA ASP A 25 -12.802 -8.751 0.381 1.00 2.09 H new ATOM 0 HB2 ASP A 25 -14.591 -9.550 -1.061 1.00 2.69 H new ATOM 0 HB3 ASP A 25 -13.821 -8.837 -2.464 1.00 2.69 H new ATOM 363 N LEU A 26 -10.559 -8.331 -0.459 1.00 1.28 N ATOM 364 CA LEU A 26 -9.204 -8.053 -0.831 1.00 0.95 C ATOM 365 C LEU A 26 -8.462 -9.378 -0.999 1.00 1.02 C ATOM 366 O LEU A 26 -7.257 -9.425 -1.222 1.00 1.36 O ATOM 367 CB LEU A 26 -8.579 -7.255 0.297 1.00 1.16 C ATOM 368 CG LEU A 26 -7.257 -6.604 0.009 1.00 0.73 C ATOM 369 CD1 LEU A 26 -7.439 -5.476 -0.983 1.00 0.86 C ATOM 370 CD2 LEU A 26 -6.656 -6.116 1.292 1.00 1.05 C ATOM 0 H LEU A 26 -10.651 -8.869 0.403 1.00 1.28 H new ATOM 0 HA LEU A 26 -9.154 -7.494 -1.765 1.00 0.95 H new ATOM 0 HB2 LEU A 26 -9.283 -6.478 0.595 1.00 1.16 H new ATOM 0 HB3 LEU A 26 -8.453 -7.917 1.154 1.00 1.16 H new ATOM 0 HG LEU A 26 -6.576 -7.328 -0.437 1.00 0.73 H new ATOM 0 HD11 LEU A 26 -6.475 -5.010 -1.185 1.00 0.86 H new ATOM 0 HD12 LEU A 26 -7.853 -5.871 -1.911 1.00 0.86 H new ATOM 0 HD13 LEU A 26 -8.121 -4.733 -0.568 1.00 0.86 H new ATOM 0 HD21 LEU A 26 -5.696 -5.643 1.087 1.00 1.05 H new ATOM 0 HD22 LEU A 26 -7.326 -5.392 1.755 1.00 1.05 H new ATOM 0 HD23 LEU A 26 -6.508 -6.958 1.968 1.00 1.05 H new ATOM 382 N SER A 27 -9.222 -10.435 -0.959 1.00 1.03 N ATOM 383 CA SER A 27 -8.726 -11.813 -0.954 1.00 1.23 C ATOM 384 C SER A 27 -8.223 -12.282 -2.335 1.00 1.39 C ATOM 385 O SER A 27 -8.032 -13.477 -2.559 1.00 2.16 O ATOM 386 CB SER A 27 -9.865 -12.714 -0.513 1.00 1.77 C ATOM 387 OG SER A 27 -10.604 -12.109 0.542 1.00 2.39 O ATOM 0 H SER A 27 -10.240 -10.377 -0.928 1.00 1.03 H new ATOM 0 HA SER A 27 -7.874 -11.861 -0.275 1.00 1.23 H new ATOM 0 HB2 SER A 27 -10.525 -12.915 -1.357 1.00 1.77 H new ATOM 0 HB3 SER A 27 -9.469 -13.674 -0.182 1.00 1.77 H new ATOM 0 HG SER A 27 -11.501 -11.877 0.222 1.00 2.39 H new ATOM 393 N GLY A 28 -7.981 -11.367 -3.224 1.00 1.32 N ATOM 394 CA GLY A 28 -7.556 -11.731 -4.534 1.00 1.62 C ATOM 395 C GLY A 28 -6.820 -10.624 -5.210 1.00 1.42 C ATOM 396 O GLY A 28 -5.904 -10.039 -4.633 1.00 1.77 O ATOM 0 H GLY A 28 -8.072 -10.364 -3.063 1.00 1.32 H new ATOM 0 HA2 GLY A 28 -6.915 -12.610 -4.476 1.00 1.62 H new ATOM 0 HA3 GLY A 28 -8.424 -12.008 -5.133 1.00 1.62 H new ATOM 400 N ASP A 29 -7.244 -10.305 -6.398 1.00 1.39 N ATOM 401 CA ASP A 29 -6.582 -9.313 -7.222 1.00 1.21 C ATOM 402 C ASP A 29 -7.236 -7.958 -7.034 1.00 0.96 C ATOM 403 O ASP A 29 -8.461 -7.852 -7.059 1.00 1.17 O ATOM 404 CB ASP A 29 -6.626 -9.742 -8.681 1.00 1.44 C ATOM 405 CG ASP A 29 -5.897 -8.798 -9.587 1.00 1.84 C ATOM 406 OD1 ASP A 29 -4.715 -8.456 -9.300 1.00 2.28 O ATOM 407 OD2 ASP A 29 -6.484 -8.355 -10.576 1.00 2.30 O ATOM 0 H ASP A 29 -8.065 -10.725 -6.834 1.00 1.39 H new ATOM 0 HA ASP A 29 -5.538 -9.230 -6.919 1.00 1.21 H new ATOM 0 HB2 ASP A 29 -6.191 -10.737 -8.775 1.00 1.44 H new ATOM 0 HB3 ASP A 29 -7.665 -9.816 -9.002 1.00 1.44 H new ATOM 412 N PHE A 30 -6.433 -6.922 -6.852 1.00 0.73 N ATOM 413 CA PHE A 30 -6.979 -5.608 -6.529 1.00 0.56 C ATOM 414 C PHE A 30 -6.106 -4.445 -7.016 1.00 0.46 C ATOM 415 O PHE A 30 -6.363 -3.303 -6.669 1.00 0.43 O ATOM 416 CB PHE A 30 -7.180 -5.500 -4.997 1.00 0.53 C ATOM 417 CG PHE A 30 -5.922 -5.727 -4.171 1.00 0.55 C ATOM 418 CD1 PHE A 30 -5.567 -7.004 -3.758 1.00 0.74 C ATOM 419 CD2 PHE A 30 -5.108 -4.667 -3.804 1.00 0.55 C ATOM 420 CE1 PHE A 30 -4.430 -7.215 -3.002 1.00 0.89 C ATOM 421 CE2 PHE A 30 -3.972 -4.874 -3.048 1.00 0.68 C ATOM 422 CZ PHE A 30 -3.633 -6.149 -2.648 1.00 0.83 C ATOM 0 H PHE A 30 -5.416 -6.960 -6.920 1.00 0.73 H new ATOM 0 HA PHE A 30 -7.930 -5.523 -7.055 1.00 0.56 H new ATOM 0 HB2 PHE A 30 -7.576 -4.511 -4.765 1.00 0.53 H new ATOM 0 HB3 PHE A 30 -7.934 -6.225 -4.692 1.00 0.53 H new ATOM 0 HD1 PHE A 30 -6.188 -7.844 -4.031 1.00 0.74 H new ATOM 0 HD2 PHE A 30 -5.366 -3.665 -4.114 1.00 0.55 H new ATOM 0 HE1 PHE A 30 -4.167 -8.215 -2.689 1.00 0.89 H new ATOM 0 HE2 PHE A 30 -3.349 -4.037 -2.770 1.00 0.68 H new ATOM 0 HZ PHE A 30 -2.743 -6.312 -2.058 1.00 0.83 H new ATOM 432 N LEU A 31 -5.130 -4.712 -7.866 1.00 0.49 N ATOM 433 CA LEU A 31 -4.164 -3.668 -8.269 1.00 0.49 C ATOM 434 C LEU A 31 -4.799 -2.600 -9.164 1.00 0.49 C ATOM 435 O LEU A 31 -4.291 -1.476 -9.266 1.00 0.58 O ATOM 436 CB LEU A 31 -2.916 -4.252 -8.976 1.00 0.59 C ATOM 437 CG LEU A 31 -1.998 -5.201 -8.174 1.00 0.86 C ATOM 438 CD1 LEU A 31 -1.594 -4.612 -6.832 1.00 1.08 C ATOM 439 CD2 LEU A 31 -2.600 -6.579 -8.015 1.00 1.85 C ATOM 0 H LEU A 31 -4.974 -5.625 -8.293 1.00 0.49 H new ATOM 0 HA LEU A 31 -3.846 -3.200 -7.337 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -3.256 -4.788 -9.862 1.00 0.59 H new ATOM 0 HB3 LEU A 31 -2.309 -3.416 -9.323 1.00 0.59 H new ATOM 0 HG LEU A 31 -1.087 -5.314 -8.762 1.00 0.86 H new ATOM 0 HD11 LEU A 31 -0.949 -5.316 -6.305 1.00 1.08 H new ATOM 0 HD12 LEU A 31 -1.057 -3.677 -6.992 1.00 1.08 H new ATOM 0 HD13 LEU A 31 -2.486 -4.420 -6.235 1.00 1.08 H new ATOM 0 HD21 LEU A 31 -1.918 -7.210 -7.445 1.00 1.85 H new ATOM 0 HD22 LEU A 31 -3.551 -6.502 -7.487 1.00 1.85 H new ATOM 0 HD23 LEU A 31 -2.765 -7.019 -8.998 1.00 1.85 H new ATOM 451 N ASP A 32 -5.890 -2.950 -9.804 1.00 0.49 N ATOM 452 CA ASP A 32 -6.585 -2.043 -10.721 1.00 0.67 C ATOM 453 C ASP A 32 -7.736 -1.330 -10.026 1.00 0.57 C ATOM 454 O ASP A 32 -8.395 -0.458 -10.618 1.00 0.74 O ATOM 455 CB ASP A 32 -7.126 -2.810 -11.938 1.00 0.94 C ATOM 456 CG ASP A 32 -8.283 -3.730 -11.606 1.00 1.76 C ATOM 457 OD1 ASP A 32 -8.057 -4.777 -10.971 1.00 2.55 O ATOM 458 OD2 ASP A 32 -9.433 -3.424 -11.976 1.00 2.27 O ATOM 0 H ASP A 32 -6.329 -3.866 -9.712 1.00 0.49 H new ATOM 0 HA ASP A 32 -5.860 -1.300 -11.053 1.00 0.67 H new ATOM 0 HB2 ASP A 32 -7.447 -2.095 -12.695 1.00 0.94 H new ATOM 0 HB3 ASP A 32 -6.319 -3.397 -12.376 1.00 0.94 H new ATOM 463 N LEU A 33 -7.968 -1.674 -8.787 1.00 0.51 N ATOM 464 CA LEU A 33 -9.045 -1.089 -8.026 1.00 0.60 C ATOM 465 C LEU A 33 -8.683 0.281 -7.530 1.00 0.50 C ATOM 466 O LEU A 33 -7.603 0.486 -6.979 1.00 0.60 O ATOM 467 CB LEU A 33 -9.456 -1.989 -6.854 1.00 0.85 C ATOM 468 CG LEU A 33 -10.303 -3.207 -7.210 1.00 0.69 C ATOM 469 CD1 LEU A 33 -10.476 -4.102 -5.995 1.00 1.35 C ATOM 470 CD2 LEU A 33 -11.664 -2.748 -7.701 1.00 1.12 C ATOM 0 H LEU A 33 -7.419 -2.365 -8.276 1.00 0.51 H new ATOM 0 HA LEU A 33 -9.898 -0.994 -8.698 1.00 0.60 H new ATOM 0 HB2 LEU A 33 -8.552 -2.334 -6.353 1.00 0.85 H new ATOM 0 HB3 LEU A 33 -10.009 -1.385 -6.134 1.00 0.85 H new ATOM 0 HG LEU A 33 -9.800 -3.772 -7.994 1.00 0.69 H new ATOM 0 HD11 LEU A 33 -11.082 -4.967 -6.264 1.00 1.35 H new ATOM 0 HD12 LEU A 33 -9.499 -4.438 -5.648 1.00 1.35 H new ATOM 0 HD13 LEU A 33 -10.971 -3.545 -5.200 1.00 1.35 H new ATOM 0 HD21 LEU A 33 -12.271 -3.617 -7.956 1.00 1.12 H new ATOM 0 HD22 LEU A 33 -12.160 -2.176 -6.917 1.00 1.12 H new ATOM 0 HD23 LEU A 33 -11.540 -2.121 -8.584 1.00 1.12 H new ATOM 482 N ARG A 34 -9.564 1.227 -7.767 1.00 0.50 N ATOM 483 CA ARG A 34 -9.401 2.548 -7.224 1.00 0.51 C ATOM 484 C ARG A 34 -9.625 2.472 -5.734 1.00 0.47 C ATOM 485 O ARG A 34 -10.370 1.601 -5.248 1.00 0.58 O ATOM 486 CB ARG A 34 -10.406 3.541 -7.813 1.00 0.67 C ATOM 487 CG ARG A 34 -10.147 4.007 -9.230 1.00 0.85 C ATOM 488 CD ARG A 34 -8.811 4.702 -9.328 1.00 0.93 C ATOM 489 NE ARG A 34 -8.704 5.547 -10.518 1.00 1.72 N ATOM 490 CZ ARG A 34 -7.588 5.709 -11.215 1.00 2.04 C ATOM 491 NH1 ARG A 34 -6.599 4.835 -11.093 1.00 1.66 N ATOM 492 NH2 ARG A 34 -7.495 6.698 -12.092 1.00 3.07 N ATOM 0 H ARG A 34 -10.402 1.101 -8.335 1.00 0.50 H new ATOM 0 HA ARG A 34 -8.398 2.898 -7.470 1.00 0.51 H new ATOM 0 HB2 ARG A 34 -11.395 3.085 -7.780 1.00 0.67 H new ATOM 0 HB3 ARG A 34 -10.438 4.418 -7.166 1.00 0.67 H new ATOM 0 HG2 ARG A 34 -10.169 3.154 -9.908 1.00 0.85 H new ATOM 0 HG3 ARG A 34 -10.939 4.686 -9.545 1.00 0.85 H new ATOM 0 HD2 ARG A 34 -8.657 5.312 -8.438 1.00 0.93 H new ATOM 0 HD3 ARG A 34 -8.017 3.955 -9.344 1.00 0.93 H new ATOM 0 HE ARG A 34 -9.539 6.042 -10.830 1.00 1.72 H new ATOM 0 HH11 ARG A 34 -6.697 4.039 -10.463 1.00 1.66 H new ATOM 0 HH12 ARG A 34 -5.740 4.959 -11.629 1.00 1.66 H new ATOM 0 HH21 ARG A 34 -8.281 7.333 -12.230 1.00 3.07 H new ATOM 0 HH22 ARG A 34 -6.637 6.824 -12.629 1.00 3.07 H new ATOM 506 N PHE A 35 -9.048 3.383 -5.011 1.00 0.42 N ATOM 507 CA PHE A 35 -9.190 3.383 -3.583 1.00 0.42 C ATOM 508 C PHE A 35 -10.576 3.819 -3.179 1.00 0.53 C ATOM 509 O PHE A 35 -11.054 3.461 -2.118 1.00 0.61 O ATOM 510 CB PHE A 35 -8.100 4.206 -2.914 1.00 0.41 C ATOM 511 CG PHE A 35 -6.744 3.608 -3.116 1.00 0.39 C ATOM 512 CD1 PHE A 35 -6.365 2.441 -2.473 1.00 0.43 C ATOM 513 CD2 PHE A 35 -5.834 4.228 -3.953 1.00 0.44 C ATOM 514 CE1 PHE A 35 -5.113 1.916 -2.668 1.00 0.51 C ATOM 515 CE2 PHE A 35 -4.579 3.703 -4.146 1.00 0.51 C ATOM 516 CZ PHE A 35 -4.254 2.457 -3.474 1.00 0.53 C ATOM 0 H PHE A 35 -8.473 4.138 -5.385 1.00 0.42 H new ATOM 0 HA PHE A 35 -9.063 2.360 -3.229 1.00 0.42 H new ATOM 0 HB2 PHE A 35 -8.113 5.219 -3.315 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -8.307 4.283 -1.847 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -7.060 1.941 -1.814 1.00 0.43 H new ATOM 0 HD2 PHE A 35 -6.114 5.138 -4.462 1.00 0.44 H new ATOM 0 HE1 PHE A 35 -4.833 1.021 -2.132 1.00 0.51 H new ATOM 0 HE2 PHE A 35 -3.858 4.201 -4.777 1.00 0.51 H new ATOM 0 HZ PHE A 35 -3.299 1.983 -3.645 1.00 0.53 H new ATOM 526 N GLU A 36 -11.237 4.541 -4.065 1.00 0.64 N ATOM 527 CA GLU A 36 -12.596 4.982 -3.837 1.00 0.83 C ATOM 528 C GLU A 36 -13.523 3.751 -3.818 1.00 0.92 C ATOM 529 O GLU A 36 -14.380 3.607 -2.940 1.00 1.05 O ATOM 530 CB GLU A 36 -13.012 5.924 -4.958 1.00 1.00 C ATOM 531 CG GLU A 36 -14.144 6.849 -4.600 1.00 1.56 C ATOM 532 CD GLU A 36 -13.722 7.844 -3.554 1.00 2.05 C ATOM 533 OE1 GLU A 36 -13.229 8.931 -3.905 1.00 2.39 O ATOM 534 OE2 GLU A 36 -13.888 7.558 -2.354 1.00 2.77 O ATOM 0 H GLU A 36 -10.846 4.836 -4.960 1.00 0.64 H new ATOM 0 HA GLU A 36 -12.666 5.506 -2.884 1.00 0.83 H new ATOM 0 HB2 GLU A 36 -12.150 6.521 -5.254 1.00 1.00 H new ATOM 0 HB3 GLU A 36 -13.302 5.332 -5.826 1.00 1.00 H new ATOM 0 HG2 GLU A 36 -14.482 7.376 -5.492 1.00 1.56 H new ATOM 0 HG3 GLU A 36 -14.990 6.268 -4.233 1.00 1.56 H new ATOM 541 N ASP A 37 -13.280 2.833 -4.772 1.00 0.92 N ATOM 542 CA ASP A 37 -14.059 1.587 -4.916 1.00 1.07 C ATOM 543 C ASP A 37 -13.984 0.750 -3.665 1.00 1.02 C ATOM 544 O ASP A 37 -14.974 0.167 -3.232 1.00 1.20 O ATOM 545 CB ASP A 37 -13.563 0.727 -6.107 1.00 1.17 C ATOM 546 CG ASP A 37 -13.917 1.271 -7.473 1.00 1.39 C ATOM 547 OD1 ASP A 37 -13.226 2.203 -7.954 1.00 1.99 O ATOM 548 OD2 ASP A 37 -14.896 0.801 -8.079 1.00 1.64 O ATOM 0 H ASP A 37 -12.538 2.933 -5.465 1.00 0.92 H new ATOM 0 HA ASP A 37 -15.089 1.893 -5.099 1.00 1.07 H new ATOM 0 HB2 ASP A 37 -12.479 0.629 -6.040 1.00 1.17 H new ATOM 0 HB3 ASP A 37 -13.980 -0.276 -6.011 1.00 1.17 H new ATOM 553 N ILE A 38 -12.816 0.702 -3.072 1.00 0.85 N ATOM 554 CA ILE A 38 -12.615 -0.099 -1.884 1.00 0.88 C ATOM 555 C ILE A 38 -12.778 0.703 -0.595 1.00 0.84 C ATOM 556 O ILE A 38 -12.475 0.221 0.499 1.00 0.91 O ATOM 557 CB ILE A 38 -11.275 -0.872 -1.908 1.00 0.85 C ATOM 558 CG1 ILE A 38 -10.098 0.079 -2.164 1.00 0.66 C ATOM 559 CG2 ILE A 38 -11.339 -1.945 -2.979 1.00 0.97 C ATOM 560 CD1 ILE A 38 -8.731 -0.577 -2.086 1.00 0.68 C ATOM 0 H ILE A 38 -11.989 1.207 -3.391 1.00 0.85 H new ATOM 0 HA ILE A 38 -13.412 -0.843 -1.894 1.00 0.88 H new ATOM 0 HB ILE A 38 -11.115 -1.339 -0.936 1.00 0.85 H new ATOM 0 HG12 ILE A 38 -10.217 0.526 -3.151 1.00 0.66 H new ATOM 0 HG13 ILE A 38 -10.139 0.892 -1.439 1.00 0.66 H new ATOM 0 HG21 ILE A 38 -10.397 -2.494 -3.001 1.00 0.97 H new ATOM 0 HG22 ILE A 38 -12.155 -2.633 -2.756 1.00 0.97 H new ATOM 0 HG23 ILE A 38 -11.511 -1.480 -3.950 1.00 0.97 H new ATOM 0 HD11 ILE A 38 -7.959 0.167 -2.280 1.00 0.68 H new ATOM 0 HD12 ILE A 38 -8.586 -1.000 -1.092 1.00 0.68 H new ATOM 0 HD13 ILE A 38 -8.665 -1.370 -2.831 1.00 0.68 H new ATOM 572 N GLY A 39 -13.341 1.895 -0.741 1.00 0.81 N ATOM 573 CA GLY A 39 -13.642 2.774 0.389 1.00 0.82 C ATOM 574 C GLY A 39 -12.429 3.129 1.218 1.00 0.71 C ATOM 575 O GLY A 39 -12.509 3.234 2.452 1.00 0.82 O ATOM 0 H GLY A 39 -13.604 2.284 -1.647 1.00 0.81 H new ATOM 0 HA2 GLY A 39 -14.097 3.691 0.014 1.00 0.82 H new ATOM 0 HA3 GLY A 39 -14.380 2.290 1.029 1.00 0.82 H new ATOM 579 N TYR A 40 -11.328 3.324 0.560 1.00 0.56 N ATOM 580 CA TYR A 40 -10.094 3.599 1.213 1.00 0.48 C ATOM 581 C TYR A 40 -9.701 5.045 1.109 1.00 0.43 C ATOM 582 O TYR A 40 -9.663 5.629 0.015 1.00 0.50 O ATOM 583 CB TYR A 40 -8.977 2.701 0.694 1.00 0.51 C ATOM 584 CG TYR A 40 -8.553 1.676 1.698 1.00 0.52 C ATOM 585 CD1 TYR A 40 -9.191 0.446 1.793 1.00 0.67 C ATOM 586 CD2 TYR A 40 -7.527 1.953 2.579 1.00 0.60 C ATOM 587 CE1 TYR A 40 -8.805 -0.476 2.743 1.00 0.83 C ATOM 588 CE2 TYR A 40 -7.143 1.048 3.531 1.00 0.79 C ATOM 589 CZ TYR A 40 -7.781 -0.161 3.613 1.00 0.88 C ATOM 590 OH TYR A 40 -7.399 -1.051 4.573 1.00 1.13 O ATOM 0 H TYR A 40 -11.265 3.295 -0.458 1.00 0.56 H new ATOM 0 HA TYR A 40 -10.249 3.380 2.269 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -9.311 2.199 -0.214 1.00 0.51 H new ATOM 0 HB3 TYR A 40 -8.119 3.315 0.422 1.00 0.51 H new ATOM 0 HD1 TYR A 40 -9.998 0.209 1.116 1.00 0.67 H new ATOM 0 HD2 TYR A 40 -7.017 2.903 2.516 1.00 0.60 H new ATOM 0 HE1 TYR A 40 -9.299 -1.434 2.806 1.00 0.83 H new ATOM 0 HE2 TYR A 40 -6.341 1.286 4.214 1.00 0.79 H new ATOM 0 HH TYR A 40 -6.698 -1.636 4.216 1.00 1.13 H new ATOM 600 N ASP A 41 -9.441 5.623 2.252 1.00 0.49 N ATOM 601 CA ASP A 41 -8.933 6.978 2.348 1.00 0.54 C ATOM 602 C ASP A 41 -7.457 6.930 2.121 1.00 0.52 C ATOM 603 O ASP A 41 -6.825 5.897 2.375 1.00 0.88 O ATOM 604 CB ASP A 41 -9.148 7.570 3.750 1.00 0.71 C ATOM 605 CG ASP A 41 -10.580 7.742 4.146 1.00 1.05 C ATOM 606 OD1 ASP A 41 -11.207 8.745 3.739 1.00 1.48 O ATOM 607 OD2 ASP A 41 -11.113 6.877 4.844 1.00 1.35 O ATOM 0 H ASP A 41 -9.575 5.167 3.155 1.00 0.49 H new ATOM 0 HA ASP A 41 -9.458 7.591 1.616 1.00 0.54 H new ATOM 0 HB2 ASP A 41 -8.659 6.925 4.480 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -8.653 8.540 3.799 1.00 0.71 H new ATOM 612 N SER A 42 -6.882 8.023 1.702 1.00 0.39 N ATOM 613 CA SER A 42 -5.455 8.079 1.536 1.00 0.48 C ATOM 614 C SER A 42 -4.826 8.075 2.934 1.00 0.42 C ATOM 615 O SER A 42 -3.728 7.575 3.141 1.00 0.43 O ATOM 616 CB SER A 42 -5.037 9.322 0.758 1.00 0.71 C ATOM 617 OG SER A 42 -5.111 10.502 1.602 1.00 0.98 O ATOM 0 H SER A 42 -7.377 8.884 1.470 1.00 0.39 H new ATOM 0 HA SER A 42 -5.112 7.219 0.961 1.00 0.48 H new ATOM 0 HB2 SER A 42 -4.021 9.199 0.384 1.00 0.71 H new ATOM 0 HB3 SER A 42 -5.683 9.448 -0.111 1.00 0.71 H new ATOM 622 N LEU A 43 -5.577 8.633 3.898 1.00 0.46 N ATOM 623 CA LEU A 43 -5.206 8.605 5.308 1.00 0.52 C ATOM 624 C LEU A 43 -5.040 7.168 5.779 1.00 0.45 C ATOM 625 O LEU A 43 -4.125 6.851 6.524 1.00 0.53 O ATOM 626 CB LEU A 43 -6.270 9.310 6.158 1.00 0.66 C ATOM 627 CG LEU A 43 -6.402 10.819 5.954 1.00 0.83 C ATOM 628 CD1 LEU A 43 -7.573 11.358 6.753 1.00 1.02 C ATOM 629 CD2 LEU A 43 -5.122 11.515 6.381 1.00 0.97 C ATOM 0 H LEU A 43 -6.457 9.114 3.714 1.00 0.46 H new ATOM 0 HA LEU A 43 -4.258 9.131 5.424 1.00 0.52 H new ATOM 0 HB2 LEU A 43 -7.236 8.850 5.950 1.00 0.66 H new ATOM 0 HB3 LEU A 43 -6.048 9.124 7.209 1.00 0.66 H new ATOM 0 HG LEU A 43 -6.579 11.014 4.896 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -7.655 12.434 6.598 1.00 1.02 H new ATOM 0 HD12 LEU A 43 -8.492 10.873 6.424 1.00 1.02 H new ATOM 0 HD13 LEU A 43 -7.415 11.155 7.812 1.00 1.02 H new ATOM 0 HD21 LEU A 43 -5.225 12.590 6.232 1.00 0.97 H new ATOM 0 HD22 LEU A 43 -4.931 11.311 7.435 1.00 0.97 H new ATOM 0 HD23 LEU A 43 -4.289 11.144 5.783 1.00 0.97 H new ATOM 641 N ALA A 44 -5.909 6.297 5.306 1.00 0.40 N ATOM 642 CA ALA A 44 -5.848 4.889 5.650 1.00 0.39 C ATOM 643 C ALA A 44 -4.666 4.230 4.946 1.00 0.34 C ATOM 644 O ALA A 44 -4.034 3.334 5.483 1.00 0.38 O ATOM 645 CB ALA A 44 -7.153 4.199 5.300 1.00 0.43 C ATOM 0 H ALA A 44 -6.673 6.542 4.676 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.701 4.792 6.726 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -7.089 3.144 5.565 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.970 4.663 5.853 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.339 4.294 4.230 1.00 0.43 H new ATOM 651 N LEU A 45 -4.345 4.727 3.761 1.00 0.31 N ATOM 652 CA LEU A 45 -3.198 4.245 2.987 1.00 0.30 C ATOM 653 C LEU A 45 -1.890 4.610 3.677 1.00 0.29 C ATOM 654 O LEU A 45 -0.871 3.932 3.521 1.00 0.30 O ATOM 655 CB LEU A 45 -3.220 4.831 1.580 1.00 0.32 C ATOM 656 CG LEU A 45 -4.403 4.434 0.720 1.00 0.33 C ATOM 657 CD1 LEU A 45 -4.344 5.152 -0.613 1.00 0.34 C ATOM 658 CD2 LEU A 45 -4.408 2.933 0.519 1.00 0.36 C ATOM 0 H LEU A 45 -4.868 5.475 3.305 1.00 0.31 H new ATOM 0 HA LEU A 45 -3.268 3.159 2.921 1.00 0.30 H new ATOM 0 HB2 LEU A 45 -3.200 5.918 1.659 1.00 0.32 H new ATOM 0 HB3 LEU A 45 -2.306 4.532 1.068 1.00 0.32 H new ATOM 0 HG LEU A 45 -5.326 4.723 1.223 1.00 0.33 H new ATOM 0 HD11 LEU A 45 -5.199 4.859 -1.222 1.00 0.34 H new ATOM 0 HD12 LEU A 45 -4.369 6.229 -0.448 1.00 0.34 H new ATOM 0 HD13 LEU A 45 -3.422 4.885 -1.129 1.00 0.34 H new ATOM 0 HD21 LEU A 45 -5.260 2.652 -0.100 1.00 0.36 H new ATOM 0 HD22 LEU A 45 -3.485 2.629 0.025 1.00 0.36 H new ATOM 0 HD23 LEU A 45 -4.483 2.437 1.487 1.00 0.36 H new ATOM 670 N MET A 46 -1.927 5.676 4.450 1.00 0.30 N ATOM 671 CA MET A 46 -0.774 6.115 5.224 1.00 0.31 C ATOM 672 C MET A 46 -0.504 5.111 6.334 1.00 0.33 C ATOM 673 O MET A 46 0.634 4.937 6.771 1.00 0.37 O ATOM 674 CB MET A 46 -1.009 7.519 5.802 1.00 0.37 C ATOM 675 CG MET A 46 -1.231 8.586 4.738 1.00 0.40 C ATOM 676 SD MET A 46 -1.719 10.182 5.426 1.00 0.54 S ATOM 677 CE MET A 46 -2.034 11.104 3.920 1.00 1.67 C ATOM 0 H MET A 46 -2.753 6.264 4.562 1.00 0.30 H new ATOM 0 HA MET A 46 0.097 6.169 4.571 1.00 0.31 H new ATOM 0 HB2 MET A 46 -1.875 7.491 6.463 1.00 0.37 H new ATOM 0 HB3 MET A 46 -0.151 7.800 6.413 1.00 0.37 H new ATOM 0 HG2 MET A 46 -0.315 8.711 4.161 1.00 0.40 H new ATOM 0 HG3 MET A 46 -2.000 8.245 4.045 1.00 0.40 H new ATOM 0 HE1 MET A 46 -1.581 12.092 3.997 1.00 1.67 H new ATOM 0 HE2 MET A 46 -1.604 10.572 3.071 1.00 1.67 H new ATOM 0 HE3 MET A 46 -3.109 11.208 3.775 1.00 1.67 H new ATOM 687 N GLU A 47 -1.562 4.417 6.749 1.00 0.36 N ATOM 688 CA GLU A 47 -1.464 3.391 7.762 1.00 0.42 C ATOM 689 C GLU A 47 -0.954 2.104 7.104 1.00 0.43 C ATOM 690 O GLU A 47 -0.197 1.332 7.708 1.00 0.52 O ATOM 691 CB GLU A 47 -2.833 3.153 8.422 1.00 0.45 C ATOM 692 CG GLU A 47 -2.776 2.297 9.671 1.00 0.62 C ATOM 693 CD GLU A 47 -1.984 2.964 10.768 1.00 1.07 C ATOM 694 OE1 GLU A 47 -0.737 2.962 10.702 1.00 1.97 O ATOM 695 OE2 GLU A 47 -2.593 3.513 11.714 1.00 1.29 O ATOM 0 H GLU A 47 -2.506 4.556 6.388 1.00 0.36 H new ATOM 0 HA GLU A 47 -0.770 3.707 8.541 1.00 0.42 H new ATOM 0 HB2 GLU A 47 -3.275 4.117 8.675 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.496 2.678 7.699 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -3.788 2.098 10.022 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -2.326 1.333 9.432 1.00 0.62 H new ATOM 702 N THR A 48 -1.381 1.888 5.862 1.00 0.39 N ATOM 703 CA THR A 48 -0.929 0.779 5.038 1.00 0.44 C ATOM 704 C THR A 48 0.586 0.866 4.876 1.00 0.45 C ATOM 705 O THR A 48 1.318 -0.099 5.162 1.00 0.56 O ATOM 706 CB THR A 48 -1.587 0.890 3.651 1.00 0.44 C ATOM 707 OG1 THR A 48 -2.994 1.070 3.823 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.337 -0.365 2.830 1.00 0.53 C ATOM 0 H THR A 48 -2.061 2.490 5.397 1.00 0.39 H new ATOM 0 HA THR A 48 -1.199 -0.168 5.506 1.00 0.44 H new ATOM 0 HB THR A 48 -1.155 1.739 3.121 1.00 0.44 H new ATOM 0 HG1 THR A 48 -3.334 0.403 4.456 1.00 0.49 H new ATOM 0 HG21 THR A 48 -1.812 -0.262 1.854 1.00 0.53 H new ATOM 0 HG22 THR A 48 -0.264 -0.506 2.698 1.00 0.53 H new ATOM 0 HG23 THR A 48 -1.755 -1.228 3.348 1.00 0.53 H new ATOM 716 N ALA A 49 1.042 2.032 4.421 1.00 0.37 N ATOM 717 CA ALA A 49 2.451 2.308 4.238 1.00 0.38 C ATOM 718 C ALA A 49 3.202 2.095 5.544 1.00 0.43 C ATOM 719 O ALA A 49 4.239 1.459 5.554 1.00 0.45 O ATOM 720 CB ALA A 49 2.654 3.731 3.727 1.00 0.36 C ATOM 0 H ALA A 49 0.434 2.811 4.170 1.00 0.37 H new ATOM 0 HA ALA A 49 2.848 1.618 3.493 1.00 0.38 H new ATOM 0 HB1 ALA A 49 3.719 3.922 3.595 1.00 0.36 H new ATOM 0 HB2 ALA A 49 2.143 3.851 2.772 1.00 0.36 H new ATOM 0 HB3 ALA A 49 2.245 4.438 4.449 1.00 0.36 H new ATOM 726 N ALA A 50 2.618 2.578 6.644 1.00 0.47 N ATOM 727 CA ALA A 50 3.195 2.454 7.984 1.00 0.57 C ATOM 728 C ALA A 50 3.503 1.004 8.345 1.00 0.62 C ATOM 729 O ALA A 50 4.576 0.709 8.895 1.00 0.68 O ATOM 730 CB ALA A 50 2.255 3.043 9.015 1.00 0.65 C ATOM 0 H ALA A 50 1.725 3.070 6.629 1.00 0.47 H new ATOM 0 HA ALA A 50 4.135 3.005 7.981 1.00 0.57 H new ATOM 0 HB1 ALA A 50 2.695 2.945 10.007 1.00 0.65 H new ATOM 0 HB2 ALA A 50 2.088 4.097 8.795 1.00 0.65 H new ATOM 0 HB3 ALA A 50 1.304 2.511 8.986 1.00 0.65 H new ATOM 736 N ARG A 51 2.566 0.101 8.024 1.00 0.65 N ATOM 737 CA ARG A 51 2.731 -1.329 8.318 1.00 0.76 C ATOM 738 C ARG A 51 3.981 -1.835 7.601 1.00 0.64 C ATOM 739 O ARG A 51 4.920 -2.356 8.209 1.00 0.62 O ATOM 740 CB ARG A 51 1.533 -2.164 7.806 1.00 0.95 C ATOM 741 CG ARG A 51 0.126 -1.757 8.259 1.00 1.23 C ATOM 742 CD ARG A 51 -0.041 -1.730 9.768 1.00 0.90 C ATOM 743 NE ARG A 51 0.186 -0.397 10.341 1.00 1.76 N ATOM 744 CZ ARG A 51 0.508 -0.156 11.623 1.00 2.17 C ATOM 745 NH1 ARG A 51 0.770 -1.162 12.465 1.00 2.08 N ATOM 746 NH2 ARG A 51 0.522 1.089 12.066 1.00 3.21 N ATOM 0 H ARG A 51 1.688 0.335 7.562 1.00 0.65 H new ATOM 0 HA ARG A 51 2.805 -1.440 9.400 1.00 0.76 H new ATOM 0 HB2 ARG A 51 1.552 -2.142 6.716 1.00 0.95 H new ATOM 0 HB3 ARG A 51 1.694 -3.199 8.107 1.00 0.95 H new ATOM 0 HG2 ARG A 51 -0.105 -0.770 7.858 1.00 1.23 H new ATOM 0 HG3 ARG A 51 -0.599 -2.451 7.834 1.00 1.23 H new ATOM 0 HD2 ARG A 51 -1.046 -2.064 10.024 1.00 0.90 H new ATOM 0 HD3 ARG A 51 0.655 -2.438 10.219 1.00 0.90 H new ATOM 0 HE ARG A 51 0.092 0.406 9.719 1.00 1.76 H new ATOM 0 HH11 ARG A 51 0.727 -2.127 12.136 1.00 2.08 H new ATOM 0 HH12 ARG A 51 1.013 -0.964 13.436 1.00 2.08 H new ATOM 0 HH21 ARG A 51 0.290 1.857 11.436 1.00 3.21 H new ATOM 0 HH22 ARG A 51 0.765 1.282 13.038 1.00 3.21 H new ATOM 760 N LEU A 52 3.982 -1.630 6.306 1.00 0.60 N ATOM 761 CA LEU A 52 5.075 -2.058 5.444 1.00 0.55 C ATOM 762 C LEU A 52 6.416 -1.342 5.704 1.00 0.46 C ATOM 763 O LEU A 52 7.482 -1.947 5.487 1.00 0.45 O ATOM 764 CB LEU A 52 4.659 -2.014 3.973 1.00 0.61 C ATOM 765 CG LEU A 52 3.587 -3.042 3.592 1.00 0.76 C ATOM 766 CD1 LEU A 52 3.129 -2.874 2.160 1.00 0.87 C ATOM 767 CD2 LEU A 52 4.115 -4.446 3.810 1.00 0.93 C ATOM 0 H LEU A 52 3.224 -1.160 5.811 1.00 0.60 H new ATOM 0 HA LEU A 52 5.277 -3.096 5.710 1.00 0.55 H new ATOM 0 HB2 LEU A 52 4.288 -1.016 3.742 1.00 0.61 H new ATOM 0 HB3 LEU A 52 5.540 -2.178 3.353 1.00 0.61 H new ATOM 0 HG LEU A 52 2.723 -2.874 4.235 1.00 0.76 H new ATOM 0 HD11 LEU A 52 2.370 -3.622 1.931 1.00 0.87 H new ATOM 0 HD12 LEU A 52 2.709 -1.877 2.027 1.00 0.87 H new ATOM 0 HD13 LEU A 52 3.978 -3.002 1.489 1.00 0.87 H new ATOM 0 HD21 LEU A 52 3.347 -5.170 3.537 1.00 0.93 H new ATOM 0 HD22 LEU A 52 4.998 -4.603 3.191 1.00 0.93 H new ATOM 0 HD23 LEU A 52 4.380 -4.576 4.859 1.00 0.93 H new ATOM 779 N GLU A 53 6.389 -0.083 6.172 1.00 0.45 N ATOM 780 CA GLU A 53 7.632 0.624 6.514 1.00 0.44 C ATOM 781 C GLU A 53 8.401 -0.134 7.578 1.00 0.46 C ATOM 782 O GLU A 53 9.560 -0.489 7.371 1.00 0.50 O ATOM 783 CB GLU A 53 7.412 2.059 7.000 1.00 0.52 C ATOM 784 CG GLU A 53 6.914 3.049 5.970 1.00 0.44 C ATOM 785 CD GLU A 53 6.956 4.457 6.514 1.00 0.45 C ATOM 786 OE1 GLU A 53 5.985 4.873 7.176 1.00 0.57 O ATOM 787 OE2 GLU A 53 7.920 5.189 6.246 1.00 0.45 O ATOM 0 H GLU A 53 5.536 0.457 6.320 1.00 0.45 H new ATOM 0 HA GLU A 53 8.201 0.675 5.585 1.00 0.44 H new ATOM 0 HB2 GLU A 53 6.699 2.035 7.824 1.00 0.52 H new ATOM 0 HB3 GLU A 53 8.353 2.431 7.404 1.00 0.52 H new ATOM 0 HG2 GLU A 53 7.526 2.984 5.071 1.00 0.44 H new ATOM 0 HG3 GLU A 53 5.894 2.797 5.680 1.00 0.44 H new ATOM 794 N SER A 54 7.729 -0.435 8.683 1.00 0.49 N ATOM 795 CA SER A 54 8.343 -1.146 9.798 1.00 0.56 C ATOM 796 C SER A 54 8.732 -2.581 9.389 1.00 0.55 C ATOM 797 O SER A 54 9.637 -3.189 9.960 1.00 0.67 O ATOM 798 CB SER A 54 7.360 -1.202 10.973 1.00 0.67 C ATOM 799 OG SER A 54 6.890 0.096 11.336 1.00 1.36 O ATOM 0 H SER A 54 6.749 -0.195 8.831 1.00 0.49 H new ATOM 0 HA SER A 54 9.246 -0.611 10.092 1.00 0.56 H new ATOM 0 HB2 SER A 54 6.512 -1.834 10.707 1.00 0.67 H new ATOM 0 HB3 SER A 54 7.846 -1.665 11.831 1.00 0.67 H new ATOM 0 HG SER A 54 6.265 0.019 12.087 1.00 1.36 H new ATOM 805 N ARG A 55 8.058 -3.097 8.388 1.00 0.52 N ATOM 806 CA ARG A 55 8.259 -4.453 7.947 1.00 0.57 C ATOM 807 C ARG A 55 9.514 -4.599 7.088 1.00 0.54 C ATOM 808 O ARG A 55 10.274 -5.550 7.256 1.00 0.65 O ATOM 809 CB ARG A 55 7.029 -4.929 7.190 1.00 0.67 C ATOM 810 CG ARG A 55 7.024 -6.404 6.831 1.00 0.77 C ATOM 811 CD ARG A 55 5.688 -6.785 6.233 1.00 0.96 C ATOM 812 NE ARG A 55 4.614 -6.413 7.139 1.00 1.60 N ATOM 813 CZ ARG A 55 3.318 -6.487 6.897 1.00 2.10 C ATOM 814 NH1 ARG A 55 2.854 -6.909 5.715 1.00 1.89 N ATOM 815 NH2 ARG A 55 2.482 -6.099 7.833 1.00 3.10 N ATOM 0 H ARG A 55 7.354 -2.585 7.857 1.00 0.52 H new ATOM 0 HA ARG A 55 8.408 -5.077 8.829 1.00 0.57 H new ATOM 0 HB2 ARG A 55 6.146 -4.715 7.792 1.00 0.67 H new ATOM 0 HB3 ARG A 55 6.939 -4.347 6.273 1.00 0.67 H new ATOM 0 HG2 ARG A 55 7.824 -6.617 6.121 1.00 0.77 H new ATOM 0 HG3 ARG A 55 7.218 -7.004 7.720 1.00 0.77 H new ATOM 0 HD2 ARG A 55 5.554 -6.286 5.273 1.00 0.96 H new ATOM 0 HD3 ARG A 55 5.658 -7.858 6.042 1.00 0.96 H new ATOM 0 HE ARG A 55 4.889 -6.059 8.055 1.00 1.60 H new ATOM 0 HH11 ARG A 55 3.506 -7.181 4.979 1.00 1.89 H new ATOM 0 HH12 ARG A 55 1.849 -6.958 5.550 1.00 1.89 H new ATOM 0 HH21 ARG A 55 2.839 -5.750 8.723 1.00 3.10 H new ATOM 0 HH22 ARG A 55 1.476 -6.146 7.670 1.00 3.10 H new ATOM 829 N TYR A 56 9.744 -3.671 6.181 1.00 0.50 N ATOM 830 CA TYR A 56 10.875 -3.804 5.264 1.00 0.57 C ATOM 831 C TYR A 56 11.979 -2.778 5.443 1.00 0.59 C ATOM 832 O TYR A 56 13.024 -2.888 4.803 1.00 0.73 O ATOM 833 CB TYR A 56 10.415 -3.891 3.811 1.00 0.65 C ATOM 834 CG TYR A 56 9.803 -5.227 3.480 1.00 0.72 C ATOM 835 CD1 TYR A 56 8.476 -5.490 3.741 1.00 0.76 C ATOM 836 CD2 TYR A 56 10.576 -6.240 2.935 1.00 0.89 C ATOM 837 CE1 TYR A 56 7.932 -6.725 3.478 1.00 0.91 C ATOM 838 CE2 TYR A 56 10.038 -7.477 2.658 1.00 1.03 C ATOM 839 CZ TYR A 56 8.716 -7.714 2.938 1.00 1.03 C ATOM 840 OH TYR A 56 8.174 -8.944 2.686 1.00 1.21 O ATOM 0 H TYR A 56 9.180 -2.831 6.054 1.00 0.50 H new ATOM 0 HA TYR A 56 11.339 -4.751 5.540 1.00 0.57 H new ATOM 0 HB2 TYR A 56 9.688 -3.103 3.616 1.00 0.65 H new ATOM 0 HB3 TYR A 56 11.265 -3.711 3.153 1.00 0.65 H new ATOM 0 HD1 TYR A 56 7.853 -4.713 4.159 1.00 0.76 H new ATOM 0 HD2 TYR A 56 11.619 -6.056 2.724 1.00 0.89 H new ATOM 0 HE1 TYR A 56 6.892 -6.916 3.695 1.00 0.91 H new ATOM 0 HE2 TYR A 56 10.651 -8.253 2.224 1.00 1.03 H new ATOM 0 HH TYR A 56 7.259 -8.836 2.351 1.00 1.21 H new ATOM 850 N GLY A 57 11.774 -1.811 6.301 1.00 0.52 N ATOM 851 CA GLY A 57 12.815 -0.830 6.548 1.00 0.56 C ATOM 852 C GLY A 57 12.883 0.220 5.462 1.00 0.54 C ATOM 853 O GLY A 57 13.974 0.577 4.981 1.00 0.68 O ATOM 0 H GLY A 57 10.915 -1.677 6.834 1.00 0.52 H new ATOM 0 HA2 GLY A 57 12.635 -0.346 7.508 1.00 0.56 H new ATOM 0 HA3 GLY A 57 13.778 -1.336 6.622 1.00 0.56 H new ATOM 857 N VAL A 58 11.729 0.706 5.066 1.00 0.47 N ATOM 858 CA VAL A 58 11.635 1.735 4.047 1.00 0.44 C ATOM 859 C VAL A 58 11.169 3.047 4.667 1.00 0.42 C ATOM 860 O VAL A 58 10.854 3.079 5.860 1.00 0.44 O ATOM 861 CB VAL A 58 10.720 1.332 2.848 1.00 0.46 C ATOM 862 CG1 VAL A 58 11.278 0.117 2.134 1.00 0.55 C ATOM 863 CG2 VAL A 58 9.297 1.050 3.308 1.00 0.43 C ATOM 0 H VAL A 58 10.829 0.402 5.438 1.00 0.47 H new ATOM 0 HA VAL A 58 12.636 1.864 3.634 1.00 0.44 H new ATOM 0 HB VAL A 58 10.698 2.174 2.156 1.00 0.46 H new ATOM 0 HG11 VAL A 58 10.626 -0.147 1.302 1.00 0.55 H new ATOM 0 HG12 VAL A 58 12.275 0.343 1.756 1.00 0.55 H new ATOM 0 HG13 VAL A 58 11.335 -0.720 2.830 1.00 0.55 H new ATOM 0 HG21 VAL A 58 8.685 0.772 2.450 1.00 0.43 H new ATOM 0 HG22 VAL A 58 9.303 0.233 4.029 1.00 0.43 H new ATOM 0 HG23 VAL A 58 8.882 1.943 3.775 1.00 0.43 H new ATOM 873 N SER A 59 11.120 4.096 3.889 1.00 0.43 N ATOM 874 CA SER A 59 10.681 5.377 4.371 1.00 0.48 C ATOM 875 C SER A 59 9.705 5.968 3.366 1.00 0.43 C ATOM 876 O SER A 59 10.083 6.345 2.248 1.00 0.49 O ATOM 877 CB SER A 59 11.891 6.311 4.597 1.00 0.65 C ATOM 878 OG SER A 59 11.492 7.587 5.095 1.00 1.28 O ATOM 0 H SER A 59 11.383 4.086 2.904 1.00 0.43 H new ATOM 0 HA SER A 59 10.177 5.262 5.331 1.00 0.48 H new ATOM 0 HB2 SER A 59 12.582 5.846 5.301 1.00 0.65 H new ATOM 0 HB3 SER A 59 12.430 6.440 3.659 1.00 0.65 H new ATOM 0 HG SER A 59 12.284 8.149 5.227 1.00 1.28 H new ATOM 884 N ILE A 60 8.456 5.982 3.731 1.00 0.39 N ATOM 885 CA ILE A 60 7.413 6.504 2.888 1.00 0.38 C ATOM 886 C ILE A 60 6.652 7.571 3.653 1.00 0.41 C ATOM 887 O ILE A 60 5.903 7.255 4.580 1.00 0.45 O ATOM 888 CB ILE A 60 6.426 5.390 2.443 1.00 0.37 C ATOM 889 CG1 ILE A 60 7.182 4.268 1.718 1.00 0.45 C ATOM 890 CG2 ILE A 60 5.330 5.970 1.540 1.00 0.38 C ATOM 891 CD1 ILE A 60 6.324 3.088 1.346 1.00 0.82 C ATOM 0 H ILE A 60 8.127 5.629 4.630 1.00 0.39 H new ATOM 0 HA ILE A 60 7.872 6.924 1.993 1.00 0.38 H new ATOM 0 HB ILE A 60 5.952 4.972 3.331 1.00 0.37 H new ATOM 0 HG12 ILE A 60 7.633 4.675 0.813 1.00 0.45 H new ATOM 0 HG13 ILE A 60 7.998 3.924 2.354 1.00 0.45 H new ATOM 0 HG21 ILE A 60 4.648 5.175 1.238 1.00 0.38 H new ATOM 0 HG22 ILE A 60 4.777 6.735 2.085 1.00 0.38 H new ATOM 0 HG23 ILE A 60 5.785 6.413 0.654 1.00 0.38 H new ATOM 0 HD11 ILE A 60 6.934 2.341 0.838 1.00 0.82 H new ATOM 0 HD12 ILE A 60 5.893 2.653 2.248 1.00 0.82 H new ATOM 0 HD13 ILE A 60 5.523 3.415 0.683 1.00 0.82 H new ATOM 903 N PRO A 61 6.901 8.852 3.349 1.00 0.48 N ATOM 904 CA PRO A 61 6.185 9.959 3.980 1.00 0.55 C ATOM 905 C PRO A 61 4.680 9.832 3.751 1.00 0.49 C ATOM 906 O PRO A 61 4.240 9.357 2.689 1.00 0.43 O ATOM 907 CB PRO A 61 6.735 11.198 3.270 1.00 0.66 C ATOM 908 CG PRO A 61 8.065 10.774 2.757 1.00 0.70 C ATOM 909 CD PRO A 61 7.917 9.327 2.395 1.00 0.58 C ATOM 0 HA PRO A 61 6.325 9.991 5.060 1.00 0.55 H new ATOM 0 HB2 PRO A 61 6.079 11.514 2.459 1.00 0.66 H new ATOM 0 HB3 PRO A 61 6.824 12.041 3.955 1.00 0.66 H new ATOM 0 HG2 PRO A 61 8.357 11.367 1.890 1.00 0.70 H new ATOM 0 HG3 PRO A 61 8.838 10.912 3.513 1.00 0.70 H new ATOM 0 HD2 PRO A 61 7.592 9.200 1.362 1.00 0.58 H new ATOM 0 HD3 PRO A 61 8.857 8.785 2.503 1.00 0.58 H new ATOM 917 N ASP A 62 3.904 10.272 4.728 1.00 0.57 N ATOM 918 CA ASP A 62 2.434 10.132 4.724 1.00 0.56 C ATOM 919 C ASP A 62 1.797 10.671 3.447 1.00 0.48 C ATOM 920 O ASP A 62 0.902 10.043 2.876 1.00 0.46 O ATOM 921 CB ASP A 62 1.793 10.812 5.947 1.00 0.71 C ATOM 922 CG ASP A 62 2.105 10.146 7.276 1.00 1.23 C ATOM 923 OD1 ASP A 62 1.470 9.122 7.605 1.00 1.98 O ATOM 924 OD2 ASP A 62 3.023 10.602 7.990 1.00 1.52 O ATOM 0 H ASP A 62 4.267 10.742 5.558 1.00 0.57 H new ATOM 0 HA ASP A 62 2.240 9.061 4.772 1.00 0.56 H new ATOM 0 HB2 ASP A 62 2.128 11.848 5.987 1.00 0.71 H new ATOM 0 HB3 ASP A 62 0.712 10.832 5.810 1.00 0.71 H new ATOM 929 N ASP A 63 2.303 11.799 2.969 1.00 0.52 N ATOM 930 CA ASP A 63 1.760 12.466 1.764 1.00 0.56 C ATOM 931 C ASP A 63 1.830 11.572 0.536 1.00 0.50 C ATOM 932 O ASP A 63 0.974 11.636 -0.337 1.00 0.60 O ATOM 933 CB ASP A 63 2.508 13.767 1.470 1.00 0.71 C ATOM 934 CG ASP A 63 1.939 14.504 0.273 1.00 1.56 C ATOM 935 OD1 ASP A 63 0.980 15.300 0.435 1.00 2.31 O ATOM 936 OD2 ASP A 63 2.442 14.291 -0.851 1.00 2.20 O ATOM 0 H ASP A 63 3.094 12.285 3.391 1.00 0.52 H new ATOM 0 HA ASP A 63 0.714 12.684 1.980 1.00 0.56 H new ATOM 0 HB2 ASP A 63 2.464 14.414 2.346 1.00 0.71 H new ATOM 0 HB3 ASP A 63 3.560 13.545 1.290 1.00 0.71 H new ATOM 941 N VAL A 64 2.814 10.698 0.512 1.00 0.46 N ATOM 942 CA VAL A 64 3.055 9.831 -0.627 1.00 0.48 C ATOM 943 C VAL A 64 1.951 8.762 -0.751 1.00 0.42 C ATOM 944 O VAL A 64 1.700 8.219 -1.830 1.00 0.46 O ATOM 945 CB VAL A 64 4.452 9.172 -0.528 1.00 0.54 C ATOM 946 CG1 VAL A 64 4.775 8.353 -1.767 1.00 0.64 C ATOM 947 CG2 VAL A 64 5.528 10.223 -0.307 1.00 0.63 C ATOM 0 H VAL A 64 3.471 10.567 1.281 1.00 0.46 H new ATOM 0 HA VAL A 64 3.031 10.443 -1.528 1.00 0.48 H new ATOM 0 HB VAL A 64 4.431 8.497 0.328 1.00 0.54 H new ATOM 0 HG11 VAL A 64 5.763 7.906 -1.660 1.00 0.64 H new ATOM 0 HG12 VAL A 64 4.031 7.565 -1.886 1.00 0.64 H new ATOM 0 HG13 VAL A 64 4.762 9.000 -2.644 1.00 0.64 H new ATOM 0 HG21 VAL A 64 6.502 9.738 -0.240 1.00 0.63 H new ATOM 0 HG22 VAL A 64 5.528 10.925 -1.141 1.00 0.63 H new ATOM 0 HG23 VAL A 64 5.326 10.761 0.619 1.00 0.63 H new ATOM 957 N ALA A 65 1.256 8.509 0.343 1.00 0.45 N ATOM 958 CA ALA A 65 0.150 7.577 0.319 1.00 0.46 C ATOM 959 C ALA A 65 -1.058 8.267 -0.291 1.00 0.44 C ATOM 960 O ALA A 65 -1.848 7.664 -1.003 1.00 0.51 O ATOM 961 CB ALA A 65 -0.153 7.068 1.706 1.00 0.56 C ATOM 0 H ALA A 65 1.438 8.934 1.252 1.00 0.45 H new ATOM 0 HA ALA A 65 0.413 6.712 -0.289 1.00 0.46 H new ATOM 0 HB1 ALA A 65 -0.988 6.369 1.663 1.00 0.56 H new ATOM 0 HB2 ALA A 65 0.724 6.561 2.107 1.00 0.56 H new ATOM 0 HB3 ALA A 65 -0.415 7.906 2.352 1.00 0.56 H new ATOM 967 N GLY A 66 -1.144 9.563 -0.067 1.00 0.48 N ATOM 968 CA GLY A 66 -2.179 10.375 -0.674 1.00 0.57 C ATOM 969 C GLY A 66 -1.688 10.845 -2.009 1.00 0.58 C ATOM 970 O GLY A 66 -1.589 12.048 -2.280 1.00 0.91 O ATOM 0 H GLY A 66 -0.504 10.080 0.536 1.00 0.48 H new ATOM 0 HA2 GLY A 66 -3.096 9.797 -0.789 1.00 0.57 H new ATOM 0 HA3 GLY A 66 -2.417 11.226 -0.036 1.00 0.57 H new ATOM 974 N ARG A 67 -1.366 9.881 -2.837 1.00 0.43 N ATOM 975 CA ARG A 67 -0.703 10.105 -4.100 1.00 0.48 C ATOM 976 C ARG A 67 -0.756 8.844 -4.951 1.00 0.45 C ATOM 977 O ARG A 67 -0.821 8.918 -6.178 1.00 0.63 O ATOM 978 CB ARG A 67 0.747 10.481 -3.808 1.00 0.59 C ATOM 979 CG ARG A 67 1.679 10.580 -4.987 1.00 1.35 C ATOM 980 CD ARG A 67 3.055 10.924 -4.482 1.00 1.46 C ATOM 981 NE ARG A 67 4.097 10.750 -5.482 1.00 2.35 N ATOM 982 CZ ARG A 67 5.400 10.780 -5.206 1.00 2.83 C ATOM 983 NH1 ARG A 67 5.825 11.319 -4.061 1.00 2.42 N ATOM 984 NH2 ARG A 67 6.274 10.353 -6.099 1.00 3.92 N ATOM 0 H ARG A 67 -1.561 8.898 -2.648 1.00 0.43 H new ATOM 0 HA ARG A 67 -1.198 10.905 -4.650 1.00 0.48 H new ATOM 0 HB2 ARG A 67 0.751 11.441 -3.292 1.00 0.59 H new ATOM 0 HB3 ARG A 67 1.155 9.745 -3.115 1.00 0.59 H new ATOM 0 HG2 ARG A 67 1.701 9.637 -5.533 1.00 1.35 H new ATOM 0 HG3 ARG A 67 1.329 11.343 -5.683 1.00 1.35 H new ATOM 0 HD2 ARG A 67 3.060 11.959 -4.139 1.00 1.46 H new ATOM 0 HD3 ARG A 67 3.283 10.300 -3.618 1.00 1.46 H new ATOM 0 HE ARG A 67 3.814 10.596 -6.450 1.00 2.35 H new ATOM 0 HH11 ARG A 67 5.153 11.707 -3.399 1.00 2.42 H new ATOM 0 HH12 ARG A 67 6.822 11.343 -3.848 1.00 2.42 H new ATOM 0 HH21 ARG A 67 5.951 10.000 -7.000 1.00 3.92 H new ATOM 0 HH22 ARG A 67 7.272 10.376 -5.888 1.00 3.92 H new ATOM 998 N VAL A 68 -0.727 7.689 -4.302 1.00 0.39 N ATOM 999 CA VAL A 68 -0.764 6.428 -5.017 1.00 0.38 C ATOM 1000 C VAL A 68 -2.105 6.234 -5.730 1.00 0.43 C ATOM 1001 O VAL A 68 -3.153 6.151 -5.116 1.00 0.48 O ATOM 1002 CB VAL A 68 -0.401 5.219 -4.109 1.00 0.34 C ATOM 1003 CG1 VAL A 68 1.040 5.342 -3.659 1.00 0.37 C ATOM 1004 CG2 VAL A 68 -1.315 5.110 -2.894 1.00 0.36 C ATOM 0 H VAL A 68 -0.678 7.602 -3.287 1.00 0.39 H new ATOM 0 HA VAL A 68 0.010 6.471 -5.784 1.00 0.38 H new ATOM 0 HB VAL A 68 -0.537 4.312 -4.697 1.00 0.34 H new ATOM 0 HG11 VAL A 68 1.296 4.495 -3.022 1.00 0.37 H new ATOM 0 HG12 VAL A 68 1.694 5.351 -4.531 1.00 0.37 H new ATOM 0 HG13 VAL A 68 1.169 6.268 -3.099 1.00 0.37 H new ATOM 0 HG21 VAL A 68 -1.020 4.250 -2.293 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.234 6.017 -2.295 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.346 4.985 -3.224 1.00 0.36 H new ATOM 1014 N ASP A 69 -2.038 6.282 -7.046 1.00 0.51 N ATOM 1015 CA ASP A 69 -3.205 6.152 -7.922 1.00 0.65 C ATOM 1016 C ASP A 69 -3.892 4.808 -7.743 1.00 0.52 C ATOM 1017 O ASP A 69 -5.121 4.720 -7.716 1.00 0.58 O ATOM 1018 CB ASP A 69 -2.770 6.322 -9.394 1.00 0.86 C ATOM 1019 CG ASP A 69 -3.920 6.335 -10.383 1.00 1.39 C ATOM 1020 OD1 ASP A 69 -4.807 7.187 -10.262 1.00 1.44 O ATOM 1021 OD2 ASP A 69 -3.944 5.502 -11.326 1.00 2.20 O ATOM 0 H ASP A 69 -1.162 6.414 -7.552 1.00 0.51 H new ATOM 0 HA ASP A 69 -3.917 6.932 -7.652 1.00 0.65 H new ATOM 0 HB2 ASP A 69 -2.211 7.253 -9.491 1.00 0.86 H new ATOM 0 HB3 ASP A 69 -2.089 5.512 -9.656 1.00 0.86 H new ATOM 1026 N THR A 70 -3.105 3.777 -7.608 1.00 0.42 N ATOM 1027 CA THR A 70 -3.619 2.440 -7.493 1.00 0.34 C ATOM 1028 C THR A 70 -2.809 1.682 -6.451 1.00 0.30 C ATOM 1029 O THR A 70 -1.752 2.171 -6.005 1.00 0.33 O ATOM 1030 CB THR A 70 -3.475 1.704 -8.848 1.00 0.40 C ATOM 1031 OG1 THR A 70 -2.086 1.697 -9.239 1.00 0.51 O ATOM 1032 CG2 THR A 70 -4.314 2.366 -9.925 1.00 0.48 C ATOM 0 H THR A 70 -2.087 3.840 -7.575 1.00 0.42 H new ATOM 0 HA THR A 70 -4.669 2.486 -7.204 1.00 0.34 H new ATOM 0 HB THR A 70 -3.832 0.681 -8.729 1.00 0.40 H new ATOM 0 HG1 THR A 70 -2.018 1.532 -10.203 1.00 0.51 H new ATOM 0 HG21 THR A 70 -4.192 1.827 -10.864 1.00 0.48 H new ATOM 0 HG22 THR A 70 -5.363 2.349 -9.631 1.00 0.48 H new ATOM 0 HG23 THR A 70 -3.990 3.399 -10.055 1.00 0.48 H new ATOM 1040 N PRO A 71 -3.274 0.492 -6.016 1.00 0.31 N ATOM 1041 CA PRO A 71 -2.491 -0.370 -5.142 1.00 0.33 C ATOM 1042 C PRO A 71 -1.211 -0.804 -5.849 1.00 0.32 C ATOM 1043 O PRO A 71 -0.196 -1.050 -5.215 1.00 0.34 O ATOM 1044 CB PRO A 71 -3.410 -1.570 -4.894 1.00 0.38 C ATOM 1045 CG PRO A 71 -4.774 -1.045 -5.151 1.00 0.40 C ATOM 1046 CD PRO A 71 -4.614 -0.072 -6.273 1.00 0.35 C ATOM 0 HA PRO A 71 -2.185 0.118 -4.217 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -3.171 -2.399 -5.560 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -3.312 -1.942 -3.874 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -5.461 -1.848 -5.421 1.00 0.40 H new ATOM 0 HG3 PRO A 71 -5.183 -0.560 -4.265 1.00 0.40 H new ATOM 0 HD2 PRO A 71 -4.669 -0.561 -7.246 1.00 0.35 H new ATOM 0 HD3 PRO A 71 -5.387 0.696 -6.258 1.00 0.35 H new ATOM 1054 N ARG A 72 -1.268 -0.841 -7.184 1.00 0.34 N ATOM 1055 CA ARG A 72 -0.110 -1.165 -7.997 1.00 0.39 C ATOM 1056 C ARG A 72 0.927 -0.067 -7.837 1.00 0.32 C ATOM 1057 O ARG A 72 2.103 -0.342 -7.694 1.00 0.31 O ATOM 1058 CB ARG A 72 -0.492 -1.308 -9.473 1.00 0.52 C ATOM 1059 CG ARG A 72 0.683 -1.674 -10.369 1.00 0.93 C ATOM 1060 CD ARG A 72 0.285 -1.790 -11.828 1.00 1.15 C ATOM 1061 NE ARG A 72 -0.765 -2.794 -12.041 1.00 1.31 N ATOM 1062 CZ ARG A 72 -0.551 -4.075 -12.378 1.00 1.78 C ATOM 1063 NH1 ARG A 72 0.687 -4.561 -12.453 1.00 2.53 N ATOM 1064 NH2 ARG A 72 -1.571 -4.867 -12.620 1.00 1.99 N ATOM 0 H ARG A 72 -2.114 -0.648 -7.720 1.00 0.34 H new ATOM 0 HA ARG A 72 0.298 -2.119 -7.663 1.00 0.39 H new ATOM 0 HB2 ARG A 72 -1.264 -2.072 -9.569 1.00 0.52 H new ATOM 0 HB3 ARG A 72 -0.926 -0.371 -9.821 1.00 0.52 H new ATOM 0 HG2 ARG A 72 1.463 -0.919 -10.267 1.00 0.93 H new ATOM 0 HG3 ARG A 72 1.110 -2.620 -10.035 1.00 0.93 H new ATOM 0 HD2 ARG A 72 -0.064 -0.821 -12.185 1.00 1.15 H new ATOM 0 HD3 ARG A 72 1.161 -2.052 -12.422 1.00 1.15 H new ATOM 0 HE ARG A 72 -1.733 -2.494 -11.924 1.00 1.31 H new ATOM 0 HH11 ARG A 72 1.485 -3.958 -12.253 1.00 2.53 H new ATOM 0 HH12 ARG A 72 0.837 -5.537 -12.710 1.00 2.53 H new ATOM 0 HH21 ARG A 72 -2.523 -4.508 -12.552 1.00 1.99 H new ATOM 0 HH22 ARG A 72 -1.411 -5.841 -12.876 1.00 1.99 H new ATOM 1078 N GLU A 73 0.458 1.178 -7.836 1.00 0.31 N ATOM 1079 CA GLU A 73 1.308 2.352 -7.649 1.00 0.32 C ATOM 1080 C GLU A 73 2.012 2.258 -6.294 1.00 0.26 C ATOM 1081 O GLU A 73 3.211 2.478 -6.188 1.00 0.30 O ATOM 1082 CB GLU A 73 0.439 3.613 -7.679 1.00 0.45 C ATOM 1083 CG GLU A 73 1.197 4.922 -7.749 1.00 0.53 C ATOM 1084 CD GLU A 73 1.906 5.087 -9.060 1.00 1.09 C ATOM 1085 OE1 GLU A 73 1.223 5.179 -10.104 1.00 1.51 O ATOM 1086 OE2 GLU A 73 3.151 5.124 -9.083 1.00 1.86 O ATOM 0 H GLU A 73 -0.528 1.403 -7.966 1.00 0.31 H new ATOM 0 HA GLU A 73 2.051 2.397 -8.445 1.00 0.32 H new ATOM 0 HB2 GLU A 73 -0.229 3.553 -8.538 1.00 0.45 H new ATOM 0 HB3 GLU A 73 -0.188 3.623 -6.788 1.00 0.45 H new ATOM 0 HG2 GLU A 73 0.504 5.751 -7.604 1.00 0.53 H new ATOM 0 HG3 GLU A 73 1.922 4.966 -6.936 1.00 0.53 H new ATOM 1093 N LEU A 74 1.240 1.896 -5.279 1.00 0.25 N ATOM 1094 CA LEU A 74 1.736 1.753 -3.910 1.00 0.26 C ATOM 1095 C LEU A 74 2.770 0.606 -3.856 1.00 0.24 C ATOM 1096 O LEU A 74 3.839 0.746 -3.253 1.00 0.27 O ATOM 1097 CB LEU A 74 0.515 1.514 -2.954 1.00 0.29 C ATOM 1098 CG LEU A 74 0.721 1.601 -1.407 1.00 0.33 C ATOM 1099 CD1 LEU A 74 1.531 0.450 -0.857 1.00 1.30 C ATOM 1100 CD2 LEU A 74 1.355 2.926 -1.009 1.00 1.14 C ATOM 0 H LEU A 74 0.246 1.691 -5.379 1.00 0.25 H new ATOM 0 HA LEU A 74 2.245 2.658 -3.579 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.256 2.236 -3.222 1.00 0.29 H new ATOM 0 HB3 LEU A 74 0.116 0.524 -3.175 1.00 0.29 H new ATOM 0 HG LEU A 74 -0.274 1.536 -0.966 1.00 0.33 H new ATOM 0 HD11 LEU A 74 1.641 0.565 0.221 1.00 1.30 H new ATOM 0 HD12 LEU A 74 1.021 -0.489 -1.072 1.00 1.30 H new ATOM 0 HD13 LEU A 74 2.516 0.443 -1.323 1.00 1.30 H new ATOM 0 HD21 LEU A 74 1.485 2.957 0.073 1.00 1.14 H new ATOM 0 HD22 LEU A 74 2.326 3.025 -1.495 1.00 1.14 H new ATOM 0 HD23 LEU A 74 0.708 3.747 -1.320 1.00 1.14 H new ATOM 1112 N LEU A 75 2.450 -0.500 -4.514 1.00 0.22 N ATOM 1113 CA LEU A 75 3.327 -1.665 -4.589 1.00 0.24 C ATOM 1114 C LEU A 75 4.644 -1.286 -5.274 1.00 0.23 C ATOM 1115 O LEU A 75 5.735 -1.549 -4.748 1.00 0.25 O ATOM 1116 CB LEU A 75 2.629 -2.790 -5.375 1.00 0.28 C ATOM 1117 CG LEU A 75 3.379 -4.120 -5.491 1.00 0.36 C ATOM 1118 CD1 LEU A 75 3.567 -4.740 -4.128 1.00 0.42 C ATOM 1119 CD2 LEU A 75 2.634 -5.075 -6.405 1.00 0.47 C ATOM 0 H LEU A 75 1.569 -0.617 -5.015 1.00 0.22 H new ATOM 0 HA LEU A 75 3.543 -2.015 -3.580 1.00 0.24 H new ATOM 0 HB2 LEU A 75 1.664 -2.984 -4.906 1.00 0.28 H new ATOM 0 HB3 LEU A 75 2.426 -2.425 -6.382 1.00 0.28 H new ATOM 0 HG LEU A 75 4.360 -3.923 -5.923 1.00 0.36 H new ATOM 0 HD11 LEU A 75 4.102 -5.685 -4.229 1.00 0.42 H new ATOM 0 HD12 LEU A 75 4.142 -4.063 -3.496 1.00 0.42 H new ATOM 0 HD13 LEU A 75 2.593 -4.921 -3.673 1.00 0.42 H new ATOM 0 HD21 LEU A 75 3.183 -6.014 -6.475 1.00 0.47 H new ATOM 0 HD22 LEU A 75 1.640 -5.265 -6.001 1.00 0.47 H new ATOM 0 HD23 LEU A 75 2.544 -4.633 -7.397 1.00 0.47 H new ATOM 1131 N ASP A 76 4.513 -0.629 -6.420 1.00 0.24 N ATOM 1132 CA ASP A 76 5.634 -0.163 -7.244 1.00 0.30 C ATOM 1133 C ASP A 76 6.536 0.768 -6.443 1.00 0.28 C ATOM 1134 O ASP A 76 7.767 0.643 -6.476 1.00 0.31 O ATOM 1135 CB ASP A 76 5.087 0.568 -8.479 1.00 0.40 C ATOM 1136 CG ASP A 76 6.158 1.073 -9.412 1.00 0.57 C ATOM 1137 OD1 ASP A 76 6.669 2.202 -9.198 1.00 0.64 O ATOM 1138 OD2 ASP A 76 6.536 0.351 -10.344 1.00 0.76 O ATOM 0 H ASP A 76 3.602 -0.397 -6.817 1.00 0.24 H new ATOM 0 HA ASP A 76 6.224 -1.023 -7.560 1.00 0.30 H new ATOM 0 HB2 ASP A 76 4.429 -0.107 -9.027 1.00 0.40 H new ATOM 0 HB3 ASP A 76 4.478 1.410 -8.151 1.00 0.40 H new ATOM 1143 N LEU A 77 5.908 1.677 -5.713 1.00 0.27 N ATOM 1144 CA LEU A 77 6.582 2.619 -4.830 1.00 0.29 C ATOM 1145 C LEU A 77 7.491 1.887 -3.844 1.00 0.28 C ATOM 1146 O LEU A 77 8.700 2.154 -3.768 1.00 0.33 O ATOM 1147 CB LEU A 77 5.533 3.417 -4.050 1.00 0.32 C ATOM 1148 CG LEU A 77 6.051 4.367 -2.976 1.00 0.43 C ATOM 1149 CD1 LEU A 77 6.830 5.526 -3.584 1.00 0.96 C ATOM 1150 CD2 LEU A 77 4.904 4.859 -2.118 1.00 0.63 C ATOM 0 H LEU A 77 4.894 1.783 -5.717 1.00 0.27 H new ATOM 0 HA LEU A 77 7.193 3.288 -5.436 1.00 0.29 H new ATOM 0 HB2 LEU A 77 4.948 3.997 -4.763 1.00 0.32 H new ATOM 0 HB3 LEU A 77 4.850 2.710 -3.578 1.00 0.32 H new ATOM 0 HG LEU A 77 6.745 3.819 -2.339 1.00 0.43 H new ATOM 0 HD11 LEU A 77 7.184 6.183 -2.790 1.00 0.96 H new ATOM 0 HD12 LEU A 77 7.683 5.139 -4.142 1.00 0.96 H new ATOM 0 HD13 LEU A 77 6.181 6.087 -4.257 1.00 0.96 H new ATOM 0 HD21 LEU A 77 5.286 5.537 -1.354 1.00 0.63 H new ATOM 0 HD22 LEU A 77 4.182 5.385 -2.743 1.00 0.63 H new ATOM 0 HD23 LEU A 77 4.418 4.009 -1.639 1.00 0.63 H new ATOM 1162 N ILE A 78 6.919 0.940 -3.117 1.00 0.25 N ATOM 1163 CA ILE A 78 7.676 0.209 -2.118 1.00 0.28 C ATOM 1164 C ILE A 78 8.721 -0.672 -2.781 1.00 0.30 C ATOM 1165 O ILE A 78 9.829 -0.787 -2.294 1.00 0.34 O ATOM 1166 CB ILE A 78 6.780 -0.639 -1.196 1.00 0.34 C ATOM 1167 CG1 ILE A 78 5.671 0.232 -0.618 1.00 0.40 C ATOM 1168 CG2 ILE A 78 7.621 -1.224 -0.057 1.00 0.40 C ATOM 1169 CD1 ILE A 78 4.747 -0.492 0.321 1.00 0.51 C ATOM 0 H ILE A 78 5.941 0.662 -3.200 1.00 0.25 H new ATOM 0 HA ILE A 78 8.170 0.953 -1.493 1.00 0.28 H new ATOM 0 HB ILE A 78 6.337 -1.452 -1.772 1.00 0.34 H new ATOM 0 HG12 ILE A 78 6.122 1.073 -0.090 1.00 0.40 H new ATOM 0 HG13 ILE A 78 5.085 0.647 -1.438 1.00 0.40 H new ATOM 0 HG21 ILE A 78 6.985 -1.824 0.594 1.00 0.40 H new ATOM 0 HG22 ILE A 78 8.409 -1.852 -0.472 1.00 0.40 H new ATOM 0 HG23 ILE A 78 8.068 -0.413 0.519 1.00 0.40 H new ATOM 0 HD11 ILE A 78 3.987 0.198 0.688 1.00 0.51 H new ATOM 0 HD12 ILE A 78 4.265 -1.316 -0.206 1.00 0.51 H new ATOM 0 HD13 ILE A 78 5.318 -0.884 1.163 1.00 0.51 H new ATOM 1181 N ASN A 79 8.381 -1.258 -3.918 1.00 0.34 N ATOM 1182 CA ASN A 79 9.342 -2.085 -4.657 1.00 0.43 C ATOM 1183 C ASN A 79 10.532 -1.262 -5.116 1.00 0.46 C ATOM 1184 O ASN A 79 11.649 -1.769 -5.207 1.00 0.50 O ATOM 1185 CB ASN A 79 8.704 -2.836 -5.840 1.00 0.55 C ATOM 1186 CG ASN A 79 7.924 -4.092 -5.436 1.00 0.62 C ATOM 1187 OD1 ASN A 79 7.871 -5.058 -6.189 1.00 1.33 O ATOM 1188 ND2 ASN A 79 7.306 -4.095 -4.273 1.00 0.84 N ATOM 0 H ASN A 79 7.461 -1.183 -4.351 1.00 0.34 H new ATOM 0 HA ASN A 79 9.693 -2.845 -3.959 1.00 0.43 H new ATOM 0 HB2 ASN A 79 8.033 -2.158 -6.367 1.00 0.55 H new ATOM 0 HB3 ASN A 79 9.488 -3.118 -6.543 1.00 0.55 H new ATOM 0 HD21 ASN A 79 6.769 -4.912 -3.983 1.00 0.84 H new ATOM 0 HD22 ASN A 79 7.364 -3.280 -3.663 1.00 0.84 H new ATOM 1195 N GLY A 80 10.290 0.005 -5.384 1.00 0.47 N ATOM 1196 CA GLY A 80 11.354 0.910 -5.735 1.00 0.56 C ATOM 1197 C GLY A 80 12.224 1.202 -4.536 1.00 0.55 C ATOM 1198 O GLY A 80 13.455 1.133 -4.617 1.00 0.63 O ATOM 0 H GLY A 80 9.362 0.428 -5.364 1.00 0.47 H new ATOM 0 HA2 GLY A 80 11.958 0.477 -6.532 1.00 0.56 H new ATOM 0 HA3 GLY A 80 10.935 1.839 -6.121 1.00 0.56 H new ATOM 1202 N ALA A 81 11.581 1.485 -3.412 1.00 0.49 N ATOM 1203 CA ALA A 81 12.266 1.762 -2.149 1.00 0.53 C ATOM 1204 C ALA A 81 13.076 0.544 -1.678 1.00 0.50 C ATOM 1205 O ALA A 81 14.122 0.678 -1.041 1.00 0.61 O ATOM 1206 CB ALA A 81 11.261 2.184 -1.091 1.00 0.53 C ATOM 0 H ALA A 81 10.564 1.530 -3.346 1.00 0.49 H new ATOM 0 HA ALA A 81 12.967 2.581 -2.312 1.00 0.53 H new ATOM 0 HB1 ALA A 81 11.782 2.388 -0.155 1.00 0.53 H new ATOM 0 HB2 ALA A 81 10.742 3.084 -1.421 1.00 0.53 H new ATOM 0 HB3 ALA A 81 10.537 1.384 -0.937 1.00 0.53 H new ATOM 1212 N LEU A 82 12.589 -0.633 -2.005 1.00 0.42 N ATOM 1213 CA LEU A 82 13.272 -1.876 -1.688 1.00 0.44 C ATOM 1214 C LEU A 82 14.428 -2.135 -2.647 1.00 0.56 C ATOM 1215 O LEU A 82 15.440 -2.735 -2.274 1.00 0.74 O ATOM 1216 CB LEU A 82 12.289 -3.040 -1.719 1.00 0.40 C ATOM 1217 CG LEU A 82 11.246 -3.040 -0.610 1.00 0.38 C ATOM 1218 CD1 LEU A 82 10.221 -4.135 -0.834 1.00 0.45 C ATOM 1219 CD2 LEU A 82 11.928 -3.222 0.730 1.00 0.46 C ATOM 0 H LEU A 82 11.706 -0.759 -2.500 1.00 0.42 H new ATOM 0 HA LEU A 82 13.685 -1.785 -0.683 1.00 0.44 H new ATOM 0 HB2 LEU A 82 11.774 -3.034 -2.680 1.00 0.40 H new ATOM 0 HB3 LEU A 82 12.852 -3.972 -1.665 1.00 0.40 H new ATOM 0 HG LEU A 82 10.724 -2.083 -0.620 1.00 0.38 H new ATOM 0 HD11 LEU A 82 9.486 -4.116 -0.029 1.00 0.45 H new ATOM 0 HD12 LEU A 82 9.719 -3.974 -1.788 1.00 0.45 H new ATOM 0 HD13 LEU A 82 10.720 -5.104 -0.846 1.00 0.45 H new ATOM 0 HD21 LEU A 82 11.179 -3.222 1.522 1.00 0.46 H new ATOM 0 HD22 LEU A 82 12.465 -4.170 0.739 1.00 0.46 H new ATOM 0 HD23 LEU A 82 12.631 -2.405 0.895 1.00 0.46 H new ATOM 1231 N ALA A 83 14.286 -1.663 -3.877 1.00 0.56 N ATOM 1232 CA ALA A 83 15.319 -1.824 -4.894 1.00 0.71 C ATOM 1233 C ALA A 83 16.510 -0.935 -4.577 1.00 0.84 C ATOM 1234 O ALA A 83 17.661 -1.285 -4.854 1.00 1.00 O ATOM 1235 CB ALA A 83 14.769 -1.501 -6.275 1.00 0.78 C ATOM 0 H ALA A 83 13.458 -1.161 -4.198 1.00 0.56 H new ATOM 0 HA ALA A 83 15.647 -2.864 -4.892 1.00 0.71 H new ATOM 0 HB1 ALA A 83 15.556 -1.627 -7.019 1.00 0.78 H new ATOM 0 HB2 ALA A 83 13.942 -2.173 -6.504 1.00 0.78 H new ATOM 0 HB3 ALA A 83 14.414 -0.470 -6.294 1.00 0.78 H new ATOM 1241 N GLU A 84 16.233 0.203 -3.966 1.00 0.89 N ATOM 1242 CA GLU A 84 17.274 1.134 -3.563 1.00 1.12 C ATOM 1243 C GLU A 84 17.768 0.814 -2.153 1.00 1.10 C ATOM 1244 O GLU A 84 18.531 1.572 -1.561 1.00 1.37 O ATOM 1245 CB GLU A 84 16.784 2.583 -3.655 1.00 1.34 C ATOM 1246 CG GLU A 84 15.547 2.878 -2.836 1.00 1.96 C ATOM 1247 CD GLU A 84 15.119 4.306 -2.939 1.00 2.48 C ATOM 1248 OE1 GLU A 84 14.557 4.696 -3.975 1.00 3.17 O ATOM 1249 OE2 GLU A 84 15.318 5.073 -1.981 1.00 2.77 O ATOM 0 H GLU A 84 15.287 0.507 -3.736 1.00 0.89 H new ATOM 0 HA GLU A 84 18.112 1.022 -4.251 1.00 1.12 H new ATOM 0 HB2 GLU A 84 17.586 3.246 -3.331 1.00 1.34 H new ATOM 0 HB3 GLU A 84 16.578 2.818 -4.699 1.00 1.34 H new ATOM 0 HG2 GLU A 84 14.733 2.233 -3.168 1.00 1.96 H new ATOM 0 HG3 GLU A 84 15.740 2.635 -1.791 1.00 1.96 H new ATOM 1256 N ALA A 85 17.331 -0.319 -1.629 1.00 1.08 N ATOM 1257 CA ALA A 85 17.759 -0.786 -0.324 1.00 1.24 C ATOM 1258 C ALA A 85 18.687 -1.984 -0.491 1.00 1.57 C ATOM 1259 O ALA A 85 19.076 -2.640 0.487 1.00 1.86 O ATOM 1260 CB ALA A 85 16.556 -1.159 0.533 1.00 1.36 C ATOM 0 H ALA A 85 16.670 -0.939 -2.097 1.00 1.08 H new ATOM 0 HA ALA A 85 18.298 0.016 0.181 1.00 1.24 H new ATOM 0 HB1 ALA A 85 16.898 -1.507 1.508 1.00 1.36 H new ATOM 0 HB2 ALA A 85 15.917 -0.286 0.663 1.00 1.36 H new ATOM 0 HB3 ALA A 85 15.991 -1.952 0.042 1.00 1.36 H new ATOM 1266 N ALA A 86 19.045 -2.260 -1.725 1.00 2.28 N ATOM 1267 CA ALA A 86 19.921 -3.356 -2.043 1.00 2.95 C ATOM 1268 C ALA A 86 21.028 -2.858 -2.952 1.00 3.59 C ATOM 1269 O ALA A 86 20.970 -3.088 -4.177 1.00 4.18 O ATOM 1270 CB ALA A 86 19.141 -4.480 -2.704 1.00 3.65 C ATOM 1271 OXT ALA A 86 21.923 -2.155 -2.451 1.00 3.96 O ATOM 0 H ALA A 86 18.733 -1.726 -2.536 1.00 2.28 H new ATOM 0 HA ALA A 86 20.362 -3.750 -1.128 1.00 2.95 H new ATOM 0 HB1 ALA A 86 19.817 -5.302 -2.939 1.00 3.65 H new ATOM 0 HB2 ALA A 86 18.364 -4.831 -2.025 1.00 3.65 H new ATOM 0 HB3 ALA A 86 18.682 -4.113 -3.622 1.00 3.65 H new TER 1277 ALA A 86 HETATM 1278 P24 SXV A 87 -6.421 11.286 1.711 1.00 1.02 P HETATM 1279 O26 SXV A 87 -6.931 11.650 0.279 1.00 1.46 O HETATM 1280 O23 SXV A 87 -7.362 10.485 2.650 1.00 1.45 O HETATM 1281 O27 SXV A 87 -5.985 12.571 2.430 1.00 1.00 O HETATM 1282 C28 SXV A 87 -4.822 13.300 1.889 1.00 1.26 C HETATM 1283 C29 SXV A 87 -4.566 14.576 2.680 1.00 1.33 C HETATM 1284 C30 SXV A 87 -4.434 14.175 4.141 1.00 1.50 C HETATM 1285 C31 SXV A 87 -3.254 15.222 2.220 1.00 1.44 C HETATM 1286 C32 SXV A 87 -5.786 15.570 2.427 1.00 1.82 C HETATM 1287 O33 SXV A 87 -5.873 15.877 1.032 1.00 2.23 O HETATM 1288 C34 SXV A 87 -5.618 16.906 3.139 1.00 2.37 C HETATM 1289 O35 SXV A 87 -5.393 17.919 2.470 1.00 2.83 O HETATM 1290 N36 SXV A 87 -5.743 16.915 4.439 1.00 3.05 N HETATM 1291 C37 SXV A 87 -5.632 18.088 5.289 1.00 4.03 C HETATM 1292 C38 SXV A 87 -5.622 17.700 6.753 1.00 4.86 C HETATM 1293 C39 SXV A 87 -5.718 18.877 7.700 1.00 5.59 C HETATM 1294 O40 SXV A 87 -5.647 20.056 7.308 1.00 5.87 O HETATM 1295 N41 SXV A 87 -5.888 18.529 8.948 1.00 6.22 N HETATM 1296 C42 SXV A 87 -6.021 19.435 10.064 1.00 7.18 C HETATM 1297 C43 SXV A 87 -6.854 18.769 11.116 1.00 7.81 C HETATM 1298 S1 SXV A 87 -6.352 17.051 11.320 1.00 8.59 S HETATM 1299 C1 SXV A 87 -7.572 16.493 12.525 1.00 9.00 C HETATM 1300 C2 SXV A 87 -7.370 15.060 12.992 1.00 9.66 C HETATM 1301 C3 SXV A 87 -6.052 14.845 13.718 1.00 10.13 C HETATM 1302 O3 SXV A 87 -5.277 13.932 13.383 1.00 10.24 O HETATM 1303 C4 SXV A 87 -5.700 15.779 14.861 1.00 10.73 C HETATM 0 HO33 SXV A 87 -5.840 16.849 0.908 1.00 2.23 H new HETATM 0 HN41 SXV A 87 -5.930 17.530 9.151 1.00 6.22 H new HETATM 0 HN36 SXV A 87 -5.935 16.023 4.896 1.00 3.05 H new HETATM 0 H43A SXV A 87 -6.749 19.300 12.062 1.00 7.81 H new HETATM 0 H42A SXV A 87 -5.040 19.692 10.463 1.00 7.18 H new HETATM 0 H38A SXV A 87 -6.454 17.023 6.945 1.00 4.86 H new HETATM 0 H37A SXV A 87 -4.719 18.631 5.047 1.00 4.03 H new HETATM 0 H31B SXV A 87 -2.430 14.527 2.383 1.00 1.44 H new HETATM 0 H31A SXV A 87 -3.320 15.464 1.159 1.00 1.44 H new HETATM 0 H30B SXV A 87 -5.356 13.696 4.471 1.00 1.50 H new HETATM 0 H30A SXV A 87 -3.603 13.479 4.254 1.00 1.50 H new HETATM 0 H28A SXV A 87 -3.939 12.662 1.924 1.00 1.26 H new HETATM 0 H4B SXV A 87 -5.653 16.804 14.492 1.00 10.73 H new HETATM 0 H4A SXV A 87 -6.462 15.708 15.637 1.00 10.73 H new HETATM 0 H43 SXV A 87 -7.907 18.816 10.839 1.00 7.81 H new HETATM 0 H42 SXV A 87 -6.488 20.366 9.743 1.00 7.18 H new HETATM 0 H4 SXV A 87 -4.732 15.498 15.276 1.00 10.73 H new HETATM 0 H38 SXV A 87 -4.706 17.148 6.966 1.00 4.86 H new HETATM 0 H37 SXV A 87 -6.465 18.763 5.094 1.00 4.03 H new HETATM 0 H32 SXV A 87 -6.672 15.061 2.806 1.00 1.82 H new HETATM 0 H31 SXV A 87 -3.078 16.134 2.790 1.00 1.44 H new HETATM 0 H30 SXV A 87 -4.249 15.062 4.747 1.00 1.50 H new HETATM 0 H2A SXV A 87 -8.191 14.781 13.653 1.00 9.66 H new HETATM 0 H28 SXV A 87 -4.996 13.545 0.841 1.00 1.26 H new HETATM 0 H2 SXV A 87 -7.415 14.394 12.130 1.00 9.66 H new HETATM 0 H1A SXV A 87 -7.541 17.154 13.391 1.00 9.00 H new HETATM 0 H1 SXV A 87 -8.567 16.585 12.089 1.00 9.00 H new