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 88:sc= 1.91 USER MOD Set 1.2: A 40 TYR OH : rot 35:sc= 2.26 USER MOD Set 1.3: A 48 THR OG1 : rot -63:sc= -0.261 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0.921 (180deg=0.921) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0983 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0742 USER MOD Single : A 21 THR OG1 : rot -116:sc= -0.692 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -151:sc= -3.03! (180deg=-4.62!) USER MOD Single : A 54 SER OG : rot 83:sc= 0.249 USER MOD Single : A 56 TYR OH : rot 27:sc= 1.16 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 87 SXV O33 : rot 150:sc= 0.084 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.698 -8.009 -1.041 1.00 2.87 N ATOM 2 CA MET A 1 17.798 -8.735 0.230 1.00 2.67 C ATOM 3 C MET A 1 16.465 -8.677 0.969 1.00 2.47 C ATOM 4 O MET A 1 16.084 -9.628 1.654 1.00 2.83 O ATOM 5 CB MET A 1 18.923 -8.181 1.118 1.00 3.14 C ATOM 6 CG MET A 1 20.310 -8.289 0.509 1.00 3.63 C ATOM 7 SD MET A 1 20.725 -9.981 0.041 1.00 4.48 S ATOM 8 CE MET A 1 22.380 -9.761 -0.597 1.00 5.01 C ATOM 0 H1 MET A 1 18.610 -8.053 -1.539 1.00 2.87 H new ATOM 0 H2 MET A 1 16.960 -8.443 -1.632 1.00 2.87 H new ATOM 0 H3 MET A 1 17.453 -7.016 -0.855 1.00 2.87 H new ATOM 0 HA MET A 1 18.042 -9.773 0.002 1.00 2.67 H new ATOM 0 HB2 MET A 1 18.715 -7.133 1.336 1.00 3.14 H new ATOM 0 HB3 MET A 1 18.914 -8.713 2.069 1.00 3.14 H new ATOM 0 HG2 MET A 1 20.369 -7.647 -0.370 1.00 3.63 H new ATOM 0 HG3 MET A 1 21.047 -7.921 1.223 1.00 3.63 H new ATOM 0 HE1 MET A 1 22.773 -10.722 -0.927 1.00 5.01 H new ATOM 0 HE2 MET A 1 22.356 -9.070 -1.439 1.00 5.01 H new ATOM 0 HE3 MET A 1 23.021 -9.356 0.186 1.00 5.01 H new ATOM 20 N ALA A 2 15.759 -7.564 0.843 1.00 2.15 N ATOM 21 CA ALA A 2 14.430 -7.439 1.406 1.00 2.02 C ATOM 22 C ALA A 2 13.428 -8.037 0.429 1.00 1.59 C ATOM 23 O ALA A 2 13.616 -7.944 -0.790 1.00 1.59 O ATOM 24 CB ALA A 2 14.104 -5.978 1.681 1.00 2.33 C ATOM 0 H ALA A 2 16.089 -6.733 0.353 1.00 2.15 H new ATOM 0 HA ALA A 2 14.380 -7.975 2.354 1.00 2.02 H new ATOM 0 HB1 ALA A 2 13.102 -5.902 2.104 1.00 2.33 H new ATOM 0 HB2 ALA A 2 14.828 -5.570 2.387 1.00 2.33 H new ATOM 0 HB3 ALA A 2 14.149 -5.414 0.750 1.00 2.33 H new ATOM 30 N THR A 3 12.413 -8.658 0.944 1.00 1.52 N ATOM 31 CA THR A 3 11.410 -9.310 0.151 1.00 1.28 C ATOM 32 C THR A 3 10.483 -8.305 -0.553 1.00 1.04 C ATOM 33 O THR A 3 9.685 -7.610 0.091 1.00 1.23 O ATOM 34 CB THR A 3 10.622 -10.249 1.070 1.00 1.66 C ATOM 35 OG1 THR A 3 10.579 -9.672 2.394 1.00 2.10 O ATOM 36 CG2 THR A 3 11.280 -11.620 1.130 1.00 2.36 C ATOM 0 H THR A 3 12.252 -8.729 1.949 1.00 1.52 H new ATOM 0 HA THR A 3 11.890 -9.878 -0.646 1.00 1.28 H new ATOM 0 HB THR A 3 9.612 -10.372 0.678 1.00 1.66 H new ATOM 0 HG1 THR A 3 10.076 -10.263 2.992 1.00 2.10 H new ATOM 0 HG21 THR A 3 10.705 -12.271 1.788 1.00 2.36 H new ATOM 0 HG22 THR A 3 11.313 -12.052 0.130 1.00 2.36 H new ATOM 0 HG23 THR A 3 12.295 -11.520 1.515 1.00 2.36 H new ATOM 44 N LEU A 4 10.649 -8.189 -1.868 1.00 0.77 N ATOM 45 CA LEU A 4 9.824 -7.320 -2.697 1.00 0.59 C ATOM 46 C LEU A 4 8.368 -7.724 -2.541 1.00 0.58 C ATOM 47 O LEU A 4 8.047 -8.911 -2.626 1.00 0.79 O ATOM 48 CB LEU A 4 10.234 -7.430 -4.174 1.00 0.63 C ATOM 49 CG LEU A 4 11.680 -7.055 -4.511 1.00 0.70 C ATOM 50 CD1 LEU A 4 11.954 -7.287 -5.987 1.00 0.86 C ATOM 51 CD2 LEU A 4 11.959 -5.605 -4.146 1.00 0.64 C ATOM 0 H LEU A 4 11.363 -8.698 -2.389 1.00 0.77 H new ATOM 0 HA LEU A 4 9.963 -6.287 -2.377 1.00 0.59 H new ATOM 0 HB2 LEU A 4 10.063 -8.456 -4.500 1.00 0.63 H new ATOM 0 HB3 LEU A 4 9.571 -6.794 -4.760 1.00 0.63 H new ATOM 0 HG LEU A 4 12.344 -7.691 -3.926 1.00 0.70 H new ATOM 0 HD11 LEU A 4 12.985 -7.016 -6.213 1.00 0.86 H new ATOM 0 HD12 LEU A 4 11.794 -8.338 -6.226 1.00 0.86 H new ATOM 0 HD13 LEU A 4 11.279 -6.673 -6.583 1.00 0.86 H new ATOM 0 HD21 LEU A 4 12.992 -5.360 -4.394 1.00 0.64 H new ATOM 0 HD22 LEU A 4 11.287 -4.953 -4.705 1.00 0.64 H new ATOM 0 HD23 LEU A 4 11.798 -5.461 -3.078 1.00 0.64 H new ATOM 63 N LEU A 5 7.510 -6.748 -2.288 1.00 0.53 N ATOM 64 CA LEU A 5 6.091 -6.999 -2.038 1.00 0.58 C ATOM 65 C LEU A 5 5.436 -7.724 -3.188 1.00 0.47 C ATOM 66 O LEU A 5 5.514 -7.281 -4.343 1.00 0.54 O ATOM 67 CB LEU A 5 5.327 -5.700 -1.813 1.00 0.85 C ATOM 68 CG LEU A 5 5.778 -4.814 -0.678 1.00 0.59 C ATOM 69 CD1 LEU A 5 4.920 -3.575 -0.654 1.00 0.85 C ATOM 70 CD2 LEU A 5 5.679 -5.549 0.640 1.00 1.27 C ATOM 0 H LEU A 5 7.771 -5.763 -2.249 1.00 0.53 H new ATOM 0 HA LEU A 5 6.051 -7.619 -1.142 1.00 0.58 H new ATOM 0 HB2 LEU A 5 5.375 -5.118 -2.733 1.00 0.85 H new ATOM 0 HB3 LEU A 5 4.279 -5.950 -1.648 1.00 0.85 H new ATOM 0 HG LEU A 5 6.820 -4.534 -0.829 1.00 0.59 H new ATOM 0 HD11 LEU A 5 5.238 -2.928 0.163 1.00 0.85 H new ATOM 0 HD12 LEU A 5 5.023 -3.043 -1.600 1.00 0.85 H new ATOM 0 HD13 LEU A 5 3.877 -3.857 -0.508 1.00 0.85 H new ATOM 0 HD21 LEU A 5 6.008 -4.895 1.447 1.00 1.27 H new ATOM 0 HD22 LEU A 5 4.645 -5.847 0.814 1.00 1.27 H new ATOM 0 HD23 LEU A 5 6.312 -6.436 0.611 1.00 1.27 H new ATOM 82 N THR A 6 4.822 -8.821 -2.876 1.00 0.43 N ATOM 83 CA THR A 6 4.072 -9.578 -3.816 1.00 0.48 C ATOM 84 C THR A 6 2.610 -9.133 -3.758 1.00 0.49 C ATOM 85 O THR A 6 2.282 -8.151 -3.066 1.00 0.52 O ATOM 86 CB THR A 6 4.176 -11.072 -3.485 1.00 0.58 C ATOM 87 OG1 THR A 6 3.859 -11.248 -2.088 1.00 0.64 O ATOM 88 CG2 THR A 6 5.578 -11.594 -3.760 1.00 0.76 C ATOM 0 H THR A 6 4.831 -9.221 -1.938 1.00 0.43 H new ATOM 0 HA THR A 6 4.467 -9.413 -4.819 1.00 0.48 H new ATOM 0 HB THR A 6 3.480 -11.630 -4.112 1.00 0.58 H new ATOM 0 HG1 THR A 6 3.918 -12.198 -1.856 1.00 0.64 H new ATOM 0 HG21 THR A 6 5.625 -12.656 -3.517 1.00 0.76 H new ATOM 0 HG22 THR A 6 5.819 -11.452 -4.813 1.00 0.76 H new ATOM 0 HG23 THR A 6 6.296 -11.049 -3.147 1.00 0.76 H new ATOM 96 N THR A 7 1.743 -9.852 -4.418 1.00 0.56 N ATOM 97 CA THR A 7 0.343 -9.557 -4.391 1.00 0.62 C ATOM 98 C THR A 7 -0.229 -9.881 -3.012 1.00 0.64 C ATOM 99 O THR A 7 -0.886 -9.042 -2.393 1.00 0.73 O ATOM 100 CB THR A 7 -0.370 -10.342 -5.504 1.00 0.74 C ATOM 101 OG1 THR A 7 0.287 -11.610 -5.677 1.00 1.34 O ATOM 102 CG2 THR A 7 -0.342 -9.573 -6.814 1.00 1.19 C ATOM 0 H THR A 7 1.992 -10.659 -4.989 1.00 0.56 H new ATOM 0 HA THR A 7 0.183 -8.494 -4.574 1.00 0.62 H new ATOM 0 HB THR A 7 -1.411 -10.492 -5.217 1.00 0.74 H new ATOM 0 HG1 THR A 7 -0.163 -12.118 -6.384 1.00 1.34 H new ATOM 0 HG21 THR A 7 -0.853 -10.149 -7.585 1.00 1.19 H new ATOM 0 HG22 THR A 7 -0.845 -8.615 -6.684 1.00 1.19 H new ATOM 0 HG23 THR A 7 0.692 -9.402 -7.114 1.00 1.19 H new ATOM 110 N ASP A 8 0.075 -11.074 -2.506 1.00 0.65 N ATOM 111 CA ASP A 8 -0.406 -11.489 -1.186 1.00 0.71 C ATOM 112 C ASP A 8 0.154 -10.615 -0.103 1.00 0.65 C ATOM 113 O ASP A 8 -0.563 -10.246 0.819 1.00 0.69 O ATOM 114 CB ASP A 8 -0.098 -12.960 -0.851 1.00 0.86 C ATOM 115 CG ASP A 8 -0.910 -13.945 -1.647 1.00 1.61 C ATOM 116 OD1 ASP A 8 -2.096 -14.187 -1.301 1.00 1.74 O ATOM 117 OD2 ASP A 8 -0.397 -14.498 -2.634 1.00 2.44 O ATOM 0 H ASP A 8 0.649 -11.768 -2.985 1.00 0.65 H new ATOM 0 HA ASP A 8 -1.490 -11.382 -1.232 1.00 0.71 H new ATOM 0 HB2 ASP A 8 0.961 -13.149 -1.027 1.00 0.86 H new ATOM 0 HB3 ASP A 8 -0.279 -13.127 0.211 1.00 0.86 H new ATOM 122 N ASP A 9 1.418 -10.234 -0.227 1.00 0.60 N ATOM 123 CA ASP A 9 2.044 -9.447 0.828 1.00 0.61 C ATOM 124 C ASP A 9 1.486 -8.032 0.862 1.00 0.56 C ATOM 125 O ASP A 9 1.234 -7.482 1.935 1.00 0.62 O ATOM 126 CB ASP A 9 3.558 -9.416 0.717 1.00 0.64 C ATOM 127 CG ASP A 9 4.194 -9.093 2.048 1.00 1.13 C ATOM 128 OD1 ASP A 9 4.398 -7.921 2.371 1.00 2.06 O ATOM 129 OD2 ASP A 9 4.495 -10.043 2.809 1.00 1.32 O ATOM 0 H ASP A 9 2.017 -10.449 -1.024 1.00 0.60 H new ATOM 0 HA ASP A 9 1.801 -9.945 1.767 1.00 0.61 H new ATOM 0 HB2 ASP A 9 3.920 -10.381 0.362 1.00 0.64 H new ATOM 0 HB3 ASP A 9 3.856 -8.673 -0.022 1.00 0.64 H new ATOM 134 N LEU A 10 1.245 -7.458 -0.317 1.00 0.52 N ATOM 135 CA LEU A 10 0.651 -6.127 -0.403 1.00 0.51 C ATOM 136 C LEU A 10 -0.778 -6.170 0.138 1.00 0.52 C ATOM 137 O LEU A 10 -1.230 -5.245 0.809 1.00 0.58 O ATOM 138 CB LEU A 10 0.652 -5.609 -1.849 1.00 0.50 C ATOM 139 CG LEU A 10 0.122 -4.182 -2.050 1.00 0.51 C ATOM 140 CD1 LEU A 10 1.016 -3.167 -1.356 1.00 0.60 C ATOM 141 CD2 LEU A 10 -0.017 -3.860 -3.527 1.00 0.56 C ATOM 0 H LEU A 10 1.450 -7.891 -1.218 1.00 0.52 H new ATOM 0 HA LEU A 10 1.250 -5.443 0.198 1.00 0.51 H new ATOM 0 HB2 LEU A 10 1.672 -5.654 -2.230 1.00 0.50 H new ATOM 0 HB3 LEU A 10 0.054 -6.287 -2.458 1.00 0.50 H new ATOM 0 HG LEU A 10 -0.868 -4.124 -1.597 1.00 0.51 H new ATOM 0 HD11 LEU A 10 0.619 -2.164 -1.514 1.00 0.60 H new ATOM 0 HD12 LEU A 10 1.048 -3.381 -0.288 1.00 0.60 H new ATOM 0 HD13 LEU A 10 2.023 -3.227 -1.768 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -0.394 -2.844 -3.644 1.00 0.56 H new ATOM 0 HD22 LEU A 10 0.956 -3.944 -4.011 1.00 0.56 H new ATOM 0 HD23 LEU A 10 -0.713 -4.561 -3.988 1.00 0.56 H new ATOM 153 N ARG A 11 -1.462 -7.275 -0.132 1.00 0.51 N ATOM 154 CA ARG A 11 -2.819 -7.491 0.341 1.00 0.54 C ATOM 155 C ARG A 11 -2.822 -7.505 1.875 1.00 0.53 C ATOM 156 O ARG A 11 -3.715 -6.944 2.498 1.00 0.57 O ATOM 157 CB ARG A 11 -3.378 -8.804 -0.281 1.00 0.60 C ATOM 158 CG ARG A 11 -4.874 -9.099 -0.069 1.00 0.82 C ATOM 159 CD ARG A 11 -5.201 -9.594 1.330 1.00 0.98 C ATOM 160 NE ARG A 11 -4.536 -10.870 1.640 1.00 1.50 N ATOM 161 CZ ARG A 11 -4.584 -11.489 2.832 1.00 2.13 C ATOM 162 NH1 ARG A 11 -5.271 -10.947 3.831 1.00 2.32 N ATOM 163 NH2 ARG A 11 -3.974 -12.652 3.008 1.00 3.08 N ATOM 0 H ARG A 11 -1.089 -8.046 -0.686 1.00 0.51 H new ATOM 0 HA ARG A 11 -3.477 -6.682 0.025 1.00 0.54 H new ATOM 0 HB2 ARG A 11 -3.187 -8.778 -1.354 1.00 0.60 H new ATOM 0 HB3 ARG A 11 -2.808 -9.640 0.124 1.00 0.60 H new ATOM 0 HG2 ARG A 11 -5.447 -8.193 -0.269 1.00 0.82 H new ATOM 0 HG3 ARG A 11 -5.195 -9.846 -0.795 1.00 0.82 H new ATOM 0 HD2 ARG A 11 -4.898 -8.842 2.059 1.00 0.98 H new ATOM 0 HD3 ARG A 11 -6.280 -9.716 1.427 1.00 0.98 H new ATOM 0 HE ARG A 11 -4.000 -11.317 0.896 1.00 1.50 H new ATOM 0 HH11 ARG A 11 -5.761 -10.063 3.693 1.00 2.32 H new ATOM 0 HH12 ARG A 11 -5.309 -11.415 4.737 1.00 2.32 H new ATOM 0 HH21 ARG A 11 -3.464 -13.082 2.236 1.00 3.08 H new ATOM 0 HH22 ARG A 11 -4.014 -13.117 3.915 1.00 3.08 H new ATOM 177 N ARG A 12 -1.786 -8.114 2.462 1.00 0.54 N ATOM 178 CA ARG A 12 -1.604 -8.153 3.925 1.00 0.59 C ATOM 179 C ARG A 12 -1.563 -6.739 4.489 1.00 0.61 C ATOM 180 O ARG A 12 -2.234 -6.427 5.472 1.00 0.66 O ATOM 181 CB ARG A 12 -0.301 -8.882 4.294 1.00 0.72 C ATOM 182 CG ARG A 12 -0.269 -10.334 3.883 1.00 0.94 C ATOM 183 CD ARG A 12 1.078 -10.981 4.160 1.00 1.09 C ATOM 184 NE ARG A 12 1.084 -12.364 3.688 1.00 1.71 N ATOM 185 CZ ARG A 12 2.114 -13.019 3.152 1.00 2.06 C ATOM 186 NH1 ARG A 12 3.290 -12.427 2.982 1.00 1.90 N ATOM 187 NH2 ARG A 12 1.946 -14.274 2.769 1.00 3.10 N ATOM 0 H ARG A 12 -1.050 -8.593 1.943 1.00 0.54 H new ATOM 0 HA ARG A 12 -2.448 -8.694 4.354 1.00 0.59 H new ATOM 0 HB2 ARG A 12 0.537 -8.365 3.827 1.00 0.72 H new ATOM 0 HB3 ARG A 12 -0.154 -8.817 5.372 1.00 0.72 H new ATOM 0 HG2 ARG A 12 -1.048 -10.878 4.417 1.00 0.94 H new ATOM 0 HG3 ARG A 12 -0.496 -10.414 2.820 1.00 0.94 H new ATOM 0 HD2 ARG A 12 1.868 -10.417 3.665 1.00 1.09 H new ATOM 0 HD3 ARG A 12 1.289 -10.954 5.229 1.00 1.09 H new ATOM 0 HE ARG A 12 0.210 -12.882 3.778 1.00 1.71 H new ATOM 0 HH11 ARG A 12 3.417 -11.455 3.263 1.00 1.90 H new ATOM 0 HH12 ARG A 12 4.067 -12.944 2.570 1.00 1.90 H new ATOM 0 HH21 ARG A 12 1.039 -14.726 2.886 1.00 3.10 H new ATOM 0 HH22 ARG A 12 2.723 -14.790 2.357 1.00 3.10 H new ATOM 201 N ALA A 13 -0.809 -5.880 3.821 1.00 0.66 N ATOM 202 CA ALA A 13 -0.659 -4.492 4.220 1.00 0.77 C ATOM 203 C ALA A 13 -1.993 -3.756 4.189 1.00 0.66 C ATOM 204 O ALA A 13 -2.330 -3.040 5.131 1.00 0.70 O ATOM 205 CB ALA A 13 0.340 -3.800 3.328 1.00 0.95 C ATOM 0 H ALA A 13 -0.282 -6.128 2.984 1.00 0.66 H new ATOM 0 HA ALA A 13 -0.293 -4.476 5.247 1.00 0.77 H new ATOM 0 HB1 ALA A 13 0.444 -2.760 3.637 1.00 0.95 H new ATOM 0 HB2 ALA A 13 1.305 -4.300 3.406 1.00 0.95 H new ATOM 0 HB3 ALA A 13 -0.006 -3.839 2.295 1.00 0.95 H new ATOM 211 N LEU A 14 -2.759 -3.966 3.115 1.00 0.58 N ATOM 212 CA LEU A 14 -4.080 -3.344 2.967 1.00 0.57 C ATOM 213 C LEU A 14 -5.096 -3.881 3.977 1.00 0.56 C ATOM 214 O LEU A 14 -6.141 -3.289 4.178 1.00 0.77 O ATOM 215 CB LEU A 14 -4.638 -3.448 1.528 1.00 0.59 C ATOM 216 CG LEU A 14 -4.171 -2.402 0.487 1.00 0.69 C ATOM 217 CD1 LEU A 14 -4.508 -0.992 0.943 1.00 1.09 C ATOM 218 CD2 LEU A 14 -2.693 -2.531 0.157 1.00 1.40 C ATOM 0 H LEU A 14 -2.488 -4.563 2.334 1.00 0.58 H new ATOM 0 HA LEU A 14 -3.923 -2.286 3.180 1.00 0.57 H new ATOM 0 HB2 LEU A 14 -4.386 -4.436 1.143 1.00 0.59 H new ATOM 0 HB3 LEU A 14 -5.725 -3.397 1.588 1.00 0.59 H new ATOM 0 HG LEU A 14 -4.718 -2.606 -0.434 1.00 0.69 H new ATOM 0 HD11 LEU A 14 -4.169 -0.277 0.194 1.00 1.09 H new ATOM 0 HD12 LEU A 14 -5.586 -0.899 1.072 1.00 1.09 H new ATOM 0 HD13 LEU A 14 -4.010 -0.788 1.891 1.00 1.09 H new ATOM 0 HD21 LEU A 14 -2.417 -1.775 -0.578 1.00 1.40 H new ATOM 0 HD22 LEU A 14 -2.104 -2.389 1.063 1.00 1.40 H new ATOM 0 HD23 LEU A 14 -2.497 -3.522 -0.252 1.00 1.40 H new ATOM 230 N VAL A 15 -4.805 -5.002 4.579 1.00 0.46 N ATOM 231 CA VAL A 15 -5.651 -5.521 5.631 1.00 0.49 C ATOM 232 C VAL A 15 -5.254 -4.862 6.949 1.00 0.52 C ATOM 233 O VAL A 15 -6.100 -4.322 7.666 1.00 0.66 O ATOM 234 CB VAL A 15 -5.554 -7.070 5.745 1.00 0.55 C ATOM 235 CG1 VAL A 15 -6.358 -7.585 6.934 1.00 0.67 C ATOM 236 CG2 VAL A 15 -6.069 -7.717 4.475 1.00 0.59 C ATOM 0 H VAL A 15 -3.990 -5.577 4.363 1.00 0.46 H new ATOM 0 HA VAL A 15 -6.688 -5.287 5.391 1.00 0.49 H new ATOM 0 HB VAL A 15 -4.506 -7.330 5.893 1.00 0.55 H new ATOM 0 HG11 VAL A 15 -6.272 -8.670 6.989 1.00 0.67 H new ATOM 0 HG12 VAL A 15 -5.972 -7.143 7.853 1.00 0.67 H new ATOM 0 HG13 VAL A 15 -7.406 -7.310 6.811 1.00 0.67 H new ATOM 0 HG21 VAL A 15 -5.997 -8.801 4.564 1.00 0.59 H new ATOM 0 HG22 VAL A 15 -7.110 -7.434 4.319 1.00 0.59 H new ATOM 0 HG23 VAL A 15 -5.471 -7.382 3.628 1.00 0.59 H new ATOM 246 N GLU A 16 -3.954 -4.867 7.238 1.00 0.48 N ATOM 247 CA GLU A 16 -3.409 -4.301 8.480 1.00 0.54 C ATOM 248 C GLU A 16 -3.790 -2.840 8.700 1.00 0.51 C ATOM 249 O GLU A 16 -3.966 -2.401 9.845 1.00 0.63 O ATOM 250 CB GLU A 16 -1.897 -4.471 8.560 1.00 0.64 C ATOM 251 CG GLU A 16 -1.466 -5.912 8.686 1.00 0.83 C ATOM 252 CD GLU A 16 0.007 -6.061 8.924 1.00 1.12 C ATOM 253 OE1 GLU A 16 0.527 -5.418 9.859 1.00 1.14 O ATOM 254 OE2 GLU A 16 0.671 -6.837 8.188 1.00 1.94 O ATOM 0 H GLU A 16 -3.245 -5.263 6.620 1.00 0.48 H new ATOM 0 HA GLU A 16 -3.871 -4.873 9.285 1.00 0.54 H new ATOM 0 HB2 GLU A 16 -1.442 -4.039 7.669 1.00 0.64 H new ATOM 0 HB3 GLU A 16 -1.520 -3.910 9.415 1.00 0.64 H new ATOM 0 HG2 GLU A 16 -2.011 -6.379 9.507 1.00 0.83 H new ATOM 0 HG3 GLU A 16 -1.738 -6.448 7.777 1.00 0.83 H new ATOM 261 N SER A 17 -3.944 -2.095 7.628 1.00 0.49 N ATOM 262 CA SER A 17 -4.315 -0.711 7.729 1.00 0.58 C ATOM 263 C SER A 17 -5.745 -0.483 8.262 1.00 0.66 C ATOM 264 O SER A 17 -6.048 0.589 8.798 1.00 0.98 O ATOM 265 CB SER A 17 -4.039 0.013 6.422 1.00 0.62 C ATOM 266 OG SER A 17 -4.339 -0.801 5.306 1.00 1.38 O ATOM 0 H SER A 17 -3.816 -2.432 6.674 1.00 0.49 H new ATOM 0 HA SER A 17 -3.678 -0.267 8.494 1.00 0.58 H new ATOM 0 HB2 SER A 17 -4.633 0.926 6.378 1.00 0.62 H new ATOM 0 HB3 SER A 17 -2.991 0.312 6.385 1.00 0.62 H new ATOM 0 HG SER A 17 -5.281 -0.685 5.061 1.00 1.38 H new ATOM 272 N ALA A 18 -6.590 -1.484 8.174 1.00 0.65 N ATOM 273 CA ALA A 18 -7.945 -1.364 8.695 1.00 0.88 C ATOM 274 C ALA A 18 -8.167 -2.321 9.866 1.00 0.85 C ATOM 275 O ALA A 18 -8.959 -2.048 10.786 1.00 1.04 O ATOM 276 CB ALA A 18 -8.965 -1.617 7.595 1.00 1.13 C ATOM 0 H ALA A 18 -6.372 -2.386 7.751 1.00 0.65 H new ATOM 0 HA ALA A 18 -8.078 -0.346 9.061 1.00 0.88 H new ATOM 0 HB1 ALA A 18 -9.971 -1.523 8.003 1.00 1.13 H new ATOM 0 HB2 ALA A 18 -8.828 -0.888 6.797 1.00 1.13 H new ATOM 0 HB3 ALA A 18 -8.828 -2.622 7.196 1.00 1.13 H new ATOM 282 N GLY A 19 -7.466 -3.428 9.840 1.00 0.79 N ATOM 283 CA GLY A 19 -7.615 -4.443 10.846 1.00 0.97 C ATOM 284 C GLY A 19 -8.434 -5.556 10.288 1.00 1.18 C ATOM 285 O GLY A 19 -7.907 -6.612 9.918 1.00 1.57 O ATOM 0 H GLY A 19 -6.777 -3.648 9.120 1.00 0.79 H new ATOM 0 HA2 GLY A 19 -6.638 -4.813 11.157 1.00 0.97 H new ATOM 0 HA3 GLY A 19 -8.096 -4.028 11.732 1.00 0.97 H new ATOM 289 N GLU A 20 -9.707 -5.308 10.193 1.00 1.43 N ATOM 290 CA GLU A 20 -10.629 -6.191 9.539 1.00 1.75 C ATOM 291 C GLU A 20 -10.859 -5.598 8.175 1.00 1.79 C ATOM 292 O GLU A 20 -10.777 -4.373 8.018 1.00 2.30 O ATOM 293 CB GLU A 20 -11.962 -6.260 10.290 1.00 2.40 C ATOM 294 CG GLU A 20 -11.888 -6.821 11.701 1.00 3.14 C ATOM 295 CD GLU A 20 -11.381 -8.241 11.758 1.00 3.62 C ATOM 296 OE1 GLU A 20 -12.128 -9.176 11.384 1.00 4.15 O ATOM 297 OE2 GLU A 20 -10.250 -8.453 12.205 1.00 3.97 O ATOM 0 H GLU A 20 -10.143 -4.469 10.576 1.00 1.43 H new ATOM 0 HA GLU A 20 -10.229 -7.204 9.497 1.00 1.75 H new ATOM 0 HB2 GLU A 20 -12.385 -5.256 10.338 1.00 2.40 H new ATOM 0 HB3 GLU A 20 -12.655 -6.870 9.711 1.00 2.40 H new ATOM 0 HG2 GLU A 20 -11.237 -6.187 12.302 1.00 3.14 H new ATOM 0 HG3 GLU A 20 -12.879 -6.779 12.153 1.00 3.14 H new ATOM 304 N THR A 21 -11.058 -6.409 7.191 1.00 1.91 N ATOM 305 CA THR A 21 -11.287 -5.901 5.864 1.00 2.43 C ATOM 306 C THR A 21 -12.333 -6.766 5.146 1.00 2.45 C ATOM 307 O THR A 21 -12.000 -7.624 4.307 1.00 3.06 O ATOM 308 CB THR A 21 -9.961 -5.867 5.065 1.00 3.22 C ATOM 309 OG1 THR A 21 -8.937 -5.273 5.885 1.00 3.77 O ATOM 310 CG2 THR A 21 -10.108 -5.028 3.801 1.00 3.83 C ATOM 0 H THR A 21 -11.068 -7.426 7.271 1.00 1.91 H new ATOM 0 HA THR A 21 -11.668 -4.882 5.934 1.00 2.43 H new ATOM 0 HB THR A 21 -9.699 -6.888 4.787 1.00 3.22 H new ATOM 0 HG1 THR A 21 -8.633 -4.437 5.474 1.00 3.77 H new ATOM 0 HG21 THR A 21 -9.163 -5.020 3.258 1.00 3.83 H new ATOM 0 HG22 THR A 21 -10.886 -5.456 3.169 1.00 3.83 H new ATOM 0 HG23 THR A 21 -10.380 -4.008 4.071 1.00 3.83 H new ATOM 318 N ASP A 22 -13.572 -6.610 5.555 1.00 2.17 N ATOM 319 CA ASP A 22 -14.687 -7.344 4.955 1.00 2.48 C ATOM 320 C ASP A 22 -15.320 -6.503 3.889 1.00 2.10 C ATOM 321 O ASP A 22 -15.131 -5.281 3.859 1.00 2.55 O ATOM 322 CB ASP A 22 -15.771 -7.767 5.975 1.00 3.04 C ATOM 323 CG ASP A 22 -16.532 -6.607 6.609 1.00 3.67 C ATOM 324 OD1 ASP A 22 -17.485 -6.057 5.987 1.00 3.96 O ATOM 325 OD2 ASP A 22 -16.219 -6.257 7.763 1.00 4.25 O ATOM 0 H ASP A 22 -13.845 -5.977 6.307 1.00 2.17 H new ATOM 0 HA ASP A 22 -14.268 -8.261 4.540 1.00 2.48 H new ATOM 0 HB2 ASP A 22 -16.484 -8.423 5.476 1.00 3.04 H new ATOM 0 HB3 ASP A 22 -15.300 -8.351 6.766 1.00 3.04 H new ATOM 330 N GLY A 23 -16.015 -7.147 2.975 1.00 1.96 N ATOM 331 CA GLY A 23 -16.694 -6.444 1.898 1.00 2.00 C ATOM 332 C GLY A 23 -15.753 -6.157 0.756 1.00 1.94 C ATOM 333 O GLY A 23 -16.081 -6.353 -0.406 1.00 2.20 O ATOM 0 H GLY A 23 -16.127 -8.161 2.954 1.00 1.96 H new ATOM 0 HA2 GLY A 23 -17.532 -7.043 1.541 1.00 2.00 H new ATOM 0 HA3 GLY A 23 -17.108 -5.509 2.275 1.00 2.00 H new ATOM 337 N THR A 24 -14.602 -5.686 1.109 1.00 1.83 N ATOM 338 CA THR A 24 -13.536 -5.406 0.220 1.00 1.80 C ATOM 339 C THR A 24 -12.925 -6.719 -0.273 1.00 1.84 C ATOM 340 O THR A 24 -12.170 -7.373 0.464 1.00 1.90 O ATOM 341 CB THR A 24 -12.468 -4.634 1.007 1.00 1.83 C ATOM 342 OG1 THR A 24 -13.062 -3.485 1.630 1.00 1.96 O ATOM 343 CG2 THR A 24 -11.319 -4.209 0.109 1.00 1.85 C ATOM 0 H THR A 24 -14.374 -5.477 2.081 1.00 1.83 H new ATOM 0 HA THR A 24 -13.893 -4.829 -0.633 1.00 1.80 H new ATOM 0 HB THR A 24 -12.064 -5.295 1.774 1.00 1.83 H new ATOM 0 HG1 THR A 24 -12.378 -2.995 2.133 1.00 1.96 H new ATOM 0 HG21 THR A 24 -10.580 -3.665 0.697 1.00 1.85 H new ATOM 0 HG22 THR A 24 -10.855 -5.092 -0.330 1.00 1.85 H new ATOM 0 HG23 THR A 24 -11.697 -3.565 -0.685 1.00 1.85 H new ATOM 351 N ASP A 25 -13.310 -7.158 -1.449 1.00 1.96 N ATOM 352 CA ASP A 25 -12.696 -8.335 -2.020 1.00 2.09 C ATOM 353 C ASP A 25 -11.359 -7.907 -2.558 1.00 1.62 C ATOM 354 O ASP A 25 -11.257 -7.250 -3.597 1.00 1.86 O ATOM 355 CB ASP A 25 -13.551 -8.980 -3.110 1.00 2.69 C ATOM 356 CG ASP A 25 -12.953 -10.288 -3.603 1.00 3.10 C ATOM 357 OD1 ASP A 25 -12.959 -11.284 -2.832 1.00 3.40 O ATOM 358 OD2 ASP A 25 -12.533 -10.366 -4.778 1.00 3.55 O ATOM 0 H ASP A 25 -14.035 -6.726 -2.022 1.00 1.96 H new ATOM 0 HA ASP A 25 -12.588 -9.103 -1.254 1.00 2.09 H new ATOM 0 HB2 ASP A 25 -14.554 -9.163 -2.724 1.00 2.69 H new ATOM 0 HB3 ASP A 25 -13.653 -8.289 -3.947 1.00 2.69 H new ATOM 363 N LEU A 26 -10.355 -8.220 -1.817 1.00 1.28 N ATOM 364 CA LEU A 26 -9.040 -7.725 -2.061 1.00 0.95 C ATOM 365 C LEU A 26 -8.157 -8.833 -2.607 1.00 1.02 C ATOM 366 O LEU A 26 -7.193 -8.583 -3.326 1.00 1.36 O ATOM 367 CB LEU A 26 -8.498 -7.181 -0.734 1.00 1.16 C ATOM 368 CG LEU A 26 -7.217 -6.362 -0.775 1.00 0.73 C ATOM 369 CD1 LEU A 26 -7.415 -5.106 -1.609 1.00 0.86 C ATOM 370 CD2 LEU A 26 -6.804 -5.998 0.639 1.00 1.05 C ATOM 0 H LEU A 26 -10.423 -8.838 -1.009 1.00 1.28 H new ATOM 0 HA LEU A 26 -9.054 -6.930 -2.807 1.00 0.95 H new ATOM 0 HB2 LEU A 26 -9.275 -6.565 -0.282 1.00 1.16 H new ATOM 0 HB3 LEU A 26 -8.334 -8.027 -0.067 1.00 1.16 H new ATOM 0 HG LEU A 26 -6.428 -6.956 -1.237 1.00 0.73 H new ATOM 0 HD11 LEU A 26 -6.489 -4.532 -1.628 1.00 0.86 H new ATOM 0 HD12 LEU A 26 -7.690 -5.384 -2.626 1.00 0.86 H new ATOM 0 HD13 LEU A 26 -8.209 -4.500 -1.172 1.00 0.86 H new ATOM 0 HD21 LEU A 26 -5.886 -5.411 0.610 1.00 1.05 H new ATOM 0 HD22 LEU A 26 -7.594 -5.413 1.110 1.00 1.05 H new ATOM 0 HD23 LEU A 26 -6.635 -6.908 1.214 1.00 1.05 H new ATOM 382 N SER A 27 -8.497 -10.051 -2.294 1.00 1.03 N ATOM 383 CA SER A 27 -7.722 -11.164 -2.748 1.00 1.23 C ATOM 384 C SER A 27 -8.236 -11.676 -4.094 1.00 1.39 C ATOM 385 O SER A 27 -8.963 -12.671 -4.161 1.00 2.16 O ATOM 386 CB SER A 27 -7.704 -12.270 -1.696 1.00 1.77 C ATOM 387 OG SER A 27 -7.139 -11.807 -0.464 1.00 2.39 O ATOM 0 H SER A 27 -9.308 -10.296 -1.725 1.00 1.03 H new ATOM 0 HA SER A 27 -6.695 -10.831 -2.898 1.00 1.23 H new ATOM 0 HB2 SER A 27 -8.719 -12.626 -1.522 1.00 1.77 H new ATOM 0 HB3 SER A 27 -7.128 -13.118 -2.067 1.00 1.77 H new ATOM 0 HG SER A 27 -7.142 -12.536 0.191 1.00 2.39 H new ATOM 393 N GLY A 28 -7.898 -10.962 -5.151 1.00 1.32 N ATOM 394 CA GLY A 28 -8.320 -11.352 -6.470 1.00 1.62 C ATOM 395 C GLY A 28 -7.989 -10.307 -7.508 1.00 1.42 C ATOM 396 O GLY A 28 -8.883 -9.812 -8.198 1.00 1.77 O ATOM 0 H GLY A 28 -7.334 -10.113 -5.116 1.00 1.32 H new ATOM 0 HA2 GLY A 28 -7.841 -12.293 -6.739 1.00 1.62 H new ATOM 0 HA3 GLY A 28 -9.395 -11.531 -6.467 1.00 1.62 H new ATOM 400 N ASP A 29 -6.691 -9.983 -7.610 1.00 1.39 N ATOM 401 CA ASP A 29 -6.156 -8.986 -8.568 1.00 1.21 C ATOM 402 C ASP A 29 -6.661 -7.584 -8.221 1.00 0.96 C ATOM 403 O ASP A 29 -7.715 -7.125 -8.690 1.00 1.17 O ATOM 404 CB ASP A 29 -6.460 -9.361 -10.034 1.00 1.44 C ATOM 405 CG ASP A 29 -5.807 -8.432 -11.025 1.00 1.84 C ATOM 406 OD1 ASP A 29 -4.630 -8.658 -11.380 1.00 2.28 O ATOM 407 OD2 ASP A 29 -6.443 -7.464 -11.466 1.00 2.30 O ATOM 0 H ASP A 29 -5.970 -10.407 -7.026 1.00 1.39 H new ATOM 0 HA ASP A 29 -5.070 -8.987 -8.474 1.00 1.21 H new ATOM 0 HB2 ASP A 29 -6.121 -10.380 -10.221 1.00 1.44 H new ATOM 0 HB3 ASP A 29 -7.539 -9.351 -10.190 1.00 1.44 H new ATOM 412 N PHE A 30 -5.912 -6.915 -7.384 1.00 0.73 N ATOM 413 CA PHE A 30 -6.351 -5.659 -6.804 1.00 0.56 C ATOM 414 C PHE A 30 -5.391 -4.514 -7.107 1.00 0.46 C ATOM 415 O PHE A 30 -5.426 -3.495 -6.449 1.00 0.43 O ATOM 416 CB PHE A 30 -6.478 -5.838 -5.273 1.00 0.53 C ATOM 417 CG PHE A 30 -5.167 -6.118 -4.557 1.00 0.55 C ATOM 418 CD1 PHE A 30 -4.573 -7.371 -4.613 1.00 0.74 C ATOM 419 CD2 PHE A 30 -4.536 -5.119 -3.832 1.00 0.55 C ATOM 420 CE1 PHE A 30 -3.383 -7.614 -3.969 1.00 0.89 C ATOM 421 CE2 PHE A 30 -3.347 -5.358 -3.187 1.00 0.68 C ATOM 422 CZ PHE A 30 -2.771 -6.607 -3.254 1.00 0.83 C ATOM 0 H PHE A 30 -4.986 -7.217 -7.082 1.00 0.73 H new ATOM 0 HA PHE A 30 -7.312 -5.399 -7.247 1.00 0.56 H new ATOM 0 HB2 PHE A 30 -6.922 -4.936 -4.851 1.00 0.53 H new ATOM 0 HB3 PHE A 30 -7.168 -6.657 -5.072 1.00 0.53 H new ATOM 0 HD1 PHE A 30 -5.051 -8.164 -5.169 1.00 0.74 H new ATOM 0 HD2 PHE A 30 -4.986 -4.139 -3.773 1.00 0.55 H new ATOM 0 HE1 PHE A 30 -2.928 -8.592 -4.023 1.00 0.89 H new ATOM 0 HE2 PHE A 30 -2.865 -4.569 -2.629 1.00 0.68 H new ATOM 0 HZ PHE A 30 -1.838 -6.798 -2.745 1.00 0.83 H new ATOM 432 N LEU A 31 -4.595 -4.643 -8.124 1.00 0.49 N ATOM 433 CA LEU A 31 -3.563 -3.660 -8.376 1.00 0.49 C ATOM 434 C LEU A 31 -4.111 -2.415 -9.066 1.00 0.49 C ATOM 435 O LEU A 31 -3.625 -1.309 -8.831 1.00 0.58 O ATOM 436 CB LEU A 31 -2.383 -4.251 -9.184 1.00 0.59 C ATOM 437 CG LEU A 31 -1.589 -5.423 -8.558 1.00 0.86 C ATOM 438 CD1 LEU A 31 -1.121 -5.096 -7.149 1.00 1.08 C ATOM 439 CD2 LEU A 31 -2.363 -6.740 -8.595 1.00 1.85 C ATOM 0 H LEU A 31 -4.632 -5.411 -8.794 1.00 0.49 H new ATOM 0 HA LEU A 31 -3.185 -3.361 -7.398 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -2.772 -4.587 -10.146 1.00 0.59 H new ATOM 0 HB3 LEU A 31 -1.680 -3.443 -9.389 1.00 0.59 H new ATOM 0 HG LEU A 31 -0.703 -5.560 -9.178 1.00 0.86 H new ATOM 0 HD11 LEU A 31 -0.568 -5.943 -6.744 1.00 1.08 H new ATOM 0 HD12 LEU A 31 -0.474 -4.219 -7.175 1.00 1.08 H new ATOM 0 HD13 LEU A 31 -1.985 -4.891 -6.517 1.00 1.08 H new ATOM 0 HD21 LEU A 31 -1.761 -7.529 -8.144 1.00 1.85 H new ATOM 0 HD22 LEU A 31 -3.294 -6.631 -8.039 1.00 1.85 H new ATOM 0 HD23 LEU A 31 -2.587 -7.001 -9.629 1.00 1.85 H new ATOM 451 N ASP A 32 -5.124 -2.578 -9.886 1.00 0.49 N ATOM 452 CA ASP A 32 -5.669 -1.440 -10.631 1.00 0.67 C ATOM 453 C ASP A 32 -7.055 -1.043 -10.187 1.00 0.57 C ATOM 454 O ASP A 32 -7.742 -0.245 -10.855 1.00 0.74 O ATOM 455 CB ASP A 32 -5.604 -1.651 -12.145 1.00 0.94 C ATOM 456 CG ASP A 32 -4.230 -1.367 -12.709 1.00 1.76 C ATOM 457 OD1 ASP A 32 -3.335 -2.221 -12.618 1.00 2.55 O ATOM 458 OD2 ASP A 32 -4.017 -0.273 -13.283 1.00 2.27 O ATOM 0 H ASP A 32 -5.589 -3.469 -10.060 1.00 0.49 H new ATOM 0 HA ASP A 32 -5.018 -0.599 -10.390 1.00 0.67 H new ATOM 0 HB2 ASP A 32 -5.884 -2.678 -12.378 1.00 0.94 H new ATOM 0 HB3 ASP A 32 -6.334 -1.004 -12.631 1.00 0.94 H new ATOM 463 N LEU A 33 -7.484 -1.559 -9.062 1.00 0.51 N ATOM 464 CA LEU A 33 -8.737 -1.128 -8.514 1.00 0.60 C ATOM 465 C LEU A 33 -8.573 0.209 -7.806 1.00 0.50 C ATOM 466 O LEU A 33 -7.455 0.632 -7.505 1.00 0.60 O ATOM 467 CB LEU A 33 -9.442 -2.214 -7.646 1.00 0.85 C ATOM 468 CG LEU A 33 -8.680 -2.877 -6.477 1.00 0.69 C ATOM 469 CD1 LEU A 33 -8.341 -1.899 -5.362 1.00 1.35 C ATOM 470 CD2 LEU A 33 -9.499 -4.036 -5.928 1.00 1.12 C ATOM 0 H LEU A 33 -6.990 -2.267 -8.518 1.00 0.51 H new ATOM 0 HA LEU A 33 -9.425 -0.974 -9.345 1.00 0.60 H new ATOM 0 HB2 LEU A 33 -10.344 -1.764 -7.232 1.00 0.85 H new ATOM 0 HB3 LEU A 33 -9.762 -3.010 -8.318 1.00 0.85 H new ATOM 0 HG LEU A 33 -7.732 -3.241 -6.872 1.00 0.69 H new ATOM 0 HD11 LEU A 33 -7.806 -2.422 -4.569 1.00 1.35 H new ATOM 0 HD12 LEU A 33 -7.713 -1.100 -5.757 1.00 1.35 H new ATOM 0 HD13 LEU A 33 -9.260 -1.473 -4.960 1.00 1.35 H new ATOM 0 HD21 LEU A 33 -8.961 -4.503 -5.103 1.00 1.12 H new ATOM 0 HD22 LEU A 33 -10.460 -3.665 -5.571 1.00 1.12 H new ATOM 0 HD23 LEU A 33 -9.664 -4.771 -6.716 1.00 1.12 H new ATOM 482 N ARG A 34 -9.650 0.868 -7.557 1.00 0.50 N ATOM 483 CA ARG A 34 -9.602 2.167 -6.961 1.00 0.51 C ATOM 484 C ARG A 34 -9.908 2.102 -5.485 1.00 0.47 C ATOM 485 O ARG A 34 -10.801 1.358 -5.052 1.00 0.58 O ATOM 486 CB ARG A 34 -10.541 3.117 -7.697 1.00 0.67 C ATOM 487 CG ARG A 34 -10.121 3.358 -9.139 1.00 0.85 C ATOM 488 CD ARG A 34 -8.742 3.991 -9.188 1.00 0.93 C ATOM 489 NE ARG A 34 -8.195 4.082 -10.544 1.00 1.72 N ATOM 490 CZ ARG A 34 -7.507 5.125 -11.019 1.00 2.04 C ATOM 491 NH1 ARG A 34 -7.459 6.269 -10.338 1.00 1.66 N ATOM 492 NH2 ARG A 34 -6.896 5.023 -12.190 1.00 3.07 N ATOM 0 H ARG A 34 -10.590 0.527 -7.758 1.00 0.50 H new ATOM 0 HA ARG A 34 -8.589 2.558 -7.055 1.00 0.51 H new ATOM 0 HB2 ARG A 34 -11.551 2.708 -7.681 1.00 0.67 H new ATOM 0 HB3 ARG A 34 -10.575 4.070 -7.169 1.00 0.67 H new ATOM 0 HG2 ARG A 34 -10.115 2.415 -9.686 1.00 0.85 H new ATOM 0 HG3 ARG A 34 -10.844 4.008 -9.632 1.00 0.85 H new ATOM 0 HD2 ARG A 34 -8.793 4.991 -8.756 1.00 0.93 H new ATOM 0 HD3 ARG A 34 -8.061 3.410 -8.567 1.00 0.93 H new ATOM 0 HE ARG A 34 -8.350 3.293 -11.171 1.00 1.72 H new ATOM 0 HH11 ARG A 34 -7.949 6.353 -9.448 1.00 1.66 H new ATOM 0 HH12 ARG A 34 -6.932 7.060 -10.707 1.00 1.66 H new ATOM 0 HH21 ARG A 34 -6.953 4.154 -12.721 1.00 3.07 H new ATOM 0 HH22 ARG A 34 -6.369 5.814 -12.561 1.00 3.07 H new ATOM 506 N PHE A 35 -9.189 2.902 -4.713 1.00 0.42 N ATOM 507 CA PHE A 35 -9.330 2.921 -3.267 1.00 0.42 C ATOM 508 C PHE A 35 -10.698 3.404 -2.860 1.00 0.53 C ATOM 509 O PHE A 35 -11.226 2.996 -1.833 1.00 0.61 O ATOM 510 CB PHE A 35 -8.244 3.772 -2.613 1.00 0.41 C ATOM 511 CG PHE A 35 -6.858 3.240 -2.819 1.00 0.39 C ATOM 512 CD1 PHE A 35 -6.461 2.066 -2.207 1.00 0.43 C ATOM 513 CD2 PHE A 35 -5.956 3.908 -3.625 1.00 0.44 C ATOM 514 CE1 PHE A 35 -5.187 1.570 -2.389 1.00 0.51 C ATOM 515 CE2 PHE A 35 -4.681 3.417 -3.811 1.00 0.51 C ATOM 516 CZ PHE A 35 -4.297 2.247 -3.191 1.00 0.53 C ATOM 0 H PHE A 35 -8.492 3.555 -5.071 1.00 0.42 H new ATOM 0 HA PHE A 35 -9.212 1.896 -2.915 1.00 0.42 H new ATOM 0 HB2 PHE A 35 -8.298 4.785 -3.012 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -8.443 3.840 -1.543 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -7.157 1.530 -1.578 1.00 0.43 H new ATOM 0 HD2 PHE A 35 -6.253 4.824 -4.114 1.00 0.44 H new ATOM 0 HE1 PHE A 35 -4.889 0.653 -1.903 1.00 0.51 H new ATOM 0 HE2 PHE A 35 -3.984 3.948 -4.442 1.00 0.51 H new ATOM 0 HZ PHE A 35 -3.298 1.862 -3.335 1.00 0.53 H new ATOM 526 N GLU A 36 -11.274 4.250 -3.687 1.00 0.64 N ATOM 527 CA GLU A 36 -12.611 4.771 -3.468 1.00 0.83 C ATOM 528 C GLU A 36 -13.616 3.617 -3.349 1.00 0.92 C ATOM 529 O GLU A 36 -14.440 3.583 -2.434 1.00 1.05 O ATOM 530 CB GLU A 36 -13.053 5.693 -4.621 1.00 1.00 C ATOM 531 CG GLU A 36 -12.050 6.764 -5.041 1.00 1.56 C ATOM 532 CD GLU A 36 -11.002 6.257 -6.005 1.00 2.05 C ATOM 533 OE1 GLU A 36 -11.267 6.254 -7.223 1.00 2.39 O ATOM 534 OE2 GLU A 36 -9.906 5.857 -5.568 1.00 2.77 O ATOM 0 H GLU A 36 -10.828 4.599 -4.535 1.00 0.64 H new ATOM 0 HA GLU A 36 -12.588 5.348 -2.543 1.00 0.83 H new ATOM 0 HB2 GLU A 36 -13.279 5.074 -5.489 1.00 1.00 H new ATOM 0 HB3 GLU A 36 -13.981 6.186 -4.331 1.00 1.00 H new ATOM 0 HG2 GLU A 36 -12.586 7.594 -5.502 1.00 1.56 H new ATOM 0 HG3 GLU A 36 -11.556 7.158 -4.153 1.00 1.56 H new ATOM 541 N ASP A 37 -13.472 2.638 -4.226 1.00 0.92 N ATOM 542 CA ASP A 37 -14.400 1.509 -4.297 1.00 1.07 C ATOM 543 C ASP A 37 -14.211 0.558 -3.134 1.00 1.02 C ATOM 544 O ASP A 37 -15.164 -0.034 -2.629 1.00 1.20 O ATOM 545 CB ASP A 37 -14.219 0.752 -5.607 1.00 1.17 C ATOM 546 CG ASP A 37 -15.175 -0.412 -5.741 1.00 1.39 C ATOM 547 OD1 ASP A 37 -16.324 -0.199 -6.194 1.00 1.64 O ATOM 548 OD2 ASP A 37 -14.789 -1.555 -5.417 1.00 1.99 O ATOM 0 H ASP A 37 -12.715 2.598 -4.908 1.00 0.92 H new ATOM 0 HA ASP A 37 -15.410 1.915 -4.247 1.00 1.07 H new ATOM 0 HB2 ASP A 37 -14.367 1.437 -6.442 1.00 1.17 H new ATOM 0 HB3 ASP A 37 -13.194 0.386 -5.673 1.00 1.17 H new ATOM 553 N ILE A 38 -12.988 0.429 -2.678 1.00 0.85 N ATOM 554 CA ILE A 38 -12.706 -0.472 -1.579 1.00 0.88 C ATOM 555 C ILE A 38 -12.823 0.229 -0.238 1.00 0.84 C ATOM 556 O ILE A 38 -12.441 -0.313 0.803 1.00 0.91 O ATOM 557 CB ILE A 38 -11.339 -1.180 -1.708 1.00 0.85 C ATOM 558 CG1 ILE A 38 -10.186 -0.164 -1.764 1.00 0.66 C ATOM 559 CG2 ILE A 38 -11.336 -2.074 -2.942 1.00 0.97 C ATOM 560 CD1 ILE A 38 -8.806 -0.793 -1.783 1.00 0.68 C ATOM 0 H ILE A 38 -12.178 0.929 -3.044 1.00 0.85 H new ATOM 0 HA ILE A 38 -13.468 -1.250 -1.631 1.00 0.88 H new ATOM 0 HB ILE A 38 -11.185 -1.798 -0.823 1.00 0.85 H new ATOM 0 HG12 ILE A 38 -10.304 0.454 -2.654 1.00 0.66 H new ATOM 0 HG13 ILE A 38 -10.259 0.500 -0.903 1.00 0.66 H new ATOM 0 HG21 ILE A 38 -10.370 -2.571 -3.029 1.00 0.97 H new ATOM 0 HG22 ILE A 38 -12.123 -2.823 -2.851 1.00 0.97 H new ATOM 0 HG23 ILE A 38 -11.513 -1.468 -3.831 1.00 0.97 H new ATOM 0 HD11 ILE A 38 -8.049 -0.009 -1.823 1.00 0.68 H new ATOM 0 HD12 ILE A 38 -8.665 -1.388 -0.881 1.00 0.68 H new ATOM 0 HD13 ILE A 38 -8.710 -1.434 -2.659 1.00 0.68 H new ATOM 572 N GLY A 39 -13.414 1.415 -0.280 1.00 0.81 N ATOM 573 CA GLY A 39 -13.640 2.206 0.898 1.00 0.82 C ATOM 574 C GLY A 39 -12.370 2.522 1.621 1.00 0.71 C ATOM 575 O GLY A 39 -12.292 2.376 2.844 1.00 0.82 O ATOM 0 H GLY A 39 -13.748 1.848 -1.141 1.00 0.81 H new ATOM 0 HA2 GLY A 39 -14.138 3.135 0.619 1.00 0.82 H new ATOM 0 HA3 GLY A 39 -14.314 1.672 1.568 1.00 0.82 H new ATOM 579 N TYR A 40 -11.374 2.934 0.890 1.00 0.56 N ATOM 580 CA TYR A 40 -10.111 3.238 1.469 1.00 0.48 C ATOM 581 C TYR A 40 -9.757 4.687 1.339 1.00 0.43 C ATOM 582 O TYR A 40 -9.761 5.263 0.240 1.00 0.50 O ATOM 583 CB TYR A 40 -9.004 2.347 0.923 1.00 0.51 C ATOM 584 CG TYR A 40 -8.448 1.440 1.980 1.00 0.52 C ATOM 585 CD1 TYR A 40 -9.022 0.205 2.238 1.00 0.67 C ATOM 586 CD2 TYR A 40 -7.368 1.838 2.750 1.00 0.60 C ATOM 587 CE1 TYR A 40 -8.527 -0.611 3.234 1.00 0.83 C ATOM 588 CE2 TYR A 40 -6.875 1.036 3.748 1.00 0.79 C ATOM 589 CZ TYR A 40 -7.455 -0.186 3.986 1.00 0.88 C ATOM 590 OH TYR A 40 -6.967 -0.975 4.992 1.00 1.13 O ATOM 0 H TYR A 40 -11.421 3.066 -0.120 1.00 0.56 H new ATOM 0 HA TYR A 40 -10.205 3.027 2.534 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -9.392 1.749 0.098 1.00 0.51 H new ATOM 0 HB3 TYR A 40 -8.204 2.967 0.519 1.00 0.51 H new ATOM 0 HD1 TYR A 40 -9.868 -0.123 1.652 1.00 0.67 H new ATOM 0 HD2 TYR A 40 -6.906 2.796 2.562 1.00 0.60 H new ATOM 0 HE1 TYR A 40 -8.976 -1.575 3.422 1.00 0.83 H new ATOM 0 HE2 TYR A 40 -6.036 1.364 4.343 1.00 0.79 H new ATOM 0 HH TYR A 40 -7.044 -1.918 4.735 1.00 1.13 H new ATOM 600 N ASP A 41 -9.489 5.278 2.462 1.00 0.49 N ATOM 601 CA ASP A 41 -9.053 6.644 2.531 1.00 0.54 C ATOM 602 C ASP A 41 -7.571 6.674 2.331 1.00 0.52 C ATOM 603 O ASP A 41 -6.867 5.755 2.748 1.00 0.88 O ATOM 604 CB ASP A 41 -9.372 7.277 3.894 1.00 0.71 C ATOM 605 CG ASP A 41 -10.844 7.421 4.173 1.00 1.05 C ATOM 606 OD1 ASP A 41 -11.429 8.469 3.812 1.00 1.48 O ATOM 607 OD2 ASP A 41 -11.439 6.518 4.790 1.00 1.35 O ATOM 0 H ASP A 41 -9.567 4.821 3.371 1.00 0.49 H new ATOM 0 HA ASP A 41 -9.576 7.211 1.761 1.00 0.54 H new ATOM 0 HB2 ASP A 41 -8.922 6.670 4.679 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -8.905 8.261 3.944 1.00 0.71 H new ATOM 612 N SER A 42 -7.093 7.705 1.727 1.00 0.39 N ATOM 613 CA SER A 42 -5.688 7.878 1.505 1.00 0.48 C ATOM 614 C SER A 42 -4.944 8.098 2.833 1.00 0.42 C ATOM 615 O SER A 42 -3.769 7.758 2.976 1.00 0.43 O ATOM 616 CB SER A 42 -5.491 8.978 0.485 1.00 0.71 C ATOM 617 OG SER A 42 -6.678 9.848 0.468 1.00 0.98 O ATOM 0 H SER A 42 -7.669 8.466 1.366 1.00 0.39 H new ATOM 0 HA SER A 42 -5.245 6.973 1.089 1.00 0.48 H new ATOM 0 HB2 SER A 42 -4.603 9.561 0.730 1.00 0.71 H new ATOM 0 HB3 SER A 42 -5.328 8.548 -0.503 1.00 0.71 H new ATOM 622 N LEU A 43 -5.660 8.636 3.805 1.00 0.46 N ATOM 623 CA LEU A 43 -5.176 8.735 5.171 1.00 0.52 C ATOM 624 C LEU A 43 -4.911 7.333 5.741 1.00 0.45 C ATOM 625 O LEU A 43 -3.966 7.123 6.503 1.00 0.53 O ATOM 626 CB LEU A 43 -6.200 9.454 6.049 1.00 0.66 C ATOM 627 CG LEU A 43 -6.489 10.919 5.717 1.00 0.83 C ATOM 628 CD1 LEU A 43 -7.567 11.448 6.628 1.00 1.02 C ATOM 629 CD2 LEU A 43 -5.235 11.768 5.850 1.00 0.97 C ATOM 0 H LEU A 43 -6.596 9.018 3.669 1.00 0.46 H new ATOM 0 HA LEU A 43 -4.247 9.306 5.165 1.00 0.52 H new ATOM 0 HB2 LEU A 43 -7.139 8.903 5.996 1.00 0.66 H new ATOM 0 HB3 LEU A 43 -5.857 9.402 7.082 1.00 0.66 H new ATOM 0 HG LEU A 43 -6.829 10.974 4.683 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -7.768 12.492 6.386 1.00 1.02 H new ATOM 0 HD12 LEU A 43 -8.477 10.863 6.493 1.00 1.02 H new ATOM 0 HD13 LEU A 43 -7.237 11.373 7.664 1.00 1.02 H new ATOM 0 HD21 LEU A 43 -5.470 12.805 5.608 1.00 0.97 H new ATOM 0 HD22 LEU A 43 -4.863 11.709 6.873 1.00 0.97 H new ATOM 0 HD23 LEU A 43 -4.472 11.400 5.165 1.00 0.97 H new ATOM 641 N ALA A 44 -5.726 6.373 5.337 1.00 0.40 N ATOM 642 CA ALA A 44 -5.580 5.000 5.779 1.00 0.39 C ATOM 643 C ALA A 44 -4.470 4.321 4.991 1.00 0.34 C ATOM 644 O ALA A 44 -3.876 3.361 5.445 1.00 0.38 O ATOM 645 CB ALA A 44 -6.890 4.246 5.633 1.00 0.43 C ATOM 0 H ALA A 44 -6.504 6.525 4.696 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.311 4.995 6.835 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -6.758 3.218 5.970 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.658 4.730 6.237 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.196 4.248 4.587 1.00 0.43 H new ATOM 651 N LEU A 45 -4.170 4.863 3.824 1.00 0.31 N ATOM 652 CA LEU A 45 -3.076 4.362 3.000 1.00 0.30 C ATOM 653 C LEU A 45 -1.740 4.702 3.626 1.00 0.29 C ATOM 654 O LEU A 45 -0.736 4.028 3.395 1.00 0.30 O ATOM 655 CB LEU A 45 -3.158 4.920 1.589 1.00 0.32 C ATOM 656 CG LEU A 45 -4.366 4.477 0.786 1.00 0.33 C ATOM 657 CD1 LEU A 45 -4.372 5.155 -0.569 1.00 0.34 C ATOM 658 CD2 LEU A 45 -4.351 2.970 0.632 1.00 0.36 C ATOM 0 H LEU A 45 -4.670 5.655 3.421 1.00 0.31 H new ATOM 0 HA LEU A 45 -3.167 3.277 2.942 1.00 0.30 H new ATOM 0 HB2 LEU A 45 -3.160 6.009 1.646 1.00 0.32 H new ATOM 0 HB3 LEU A 45 -2.257 4.630 1.048 1.00 0.32 H new ATOM 0 HG LEU A 45 -5.275 4.766 1.314 1.00 0.33 H new ATOM 0 HD11 LEU A 45 -5.244 4.828 -1.135 1.00 0.34 H new ATOM 0 HD12 LEU A 45 -4.410 6.236 -0.435 1.00 0.34 H new ATOM 0 HD13 LEU A 45 -3.466 4.889 -1.113 1.00 0.34 H new ATOM 0 HD21 LEU A 45 -5.220 2.655 0.055 1.00 0.36 H new ATOM 0 HD22 LEU A 45 -3.441 2.666 0.114 1.00 0.36 H new ATOM 0 HD23 LEU A 45 -4.381 2.503 1.617 1.00 0.36 H new ATOM 670 N MET A 46 -1.731 5.744 4.443 1.00 0.30 N ATOM 671 CA MET A 46 -0.530 6.120 5.175 1.00 0.31 C ATOM 672 C MET A 46 -0.282 5.087 6.265 1.00 0.33 C ATOM 673 O MET A 46 0.845 4.825 6.640 1.00 0.37 O ATOM 674 CB MET A 46 -0.658 7.519 5.784 1.00 0.37 C ATOM 675 CG MET A 46 -0.983 8.616 4.777 1.00 0.40 C ATOM 676 SD MET A 46 -1.137 10.247 5.546 1.00 0.54 S ATOM 677 CE MET A 46 -2.283 9.925 6.871 1.00 1.67 C ATOM 0 H MET A 46 -2.538 6.343 4.616 1.00 0.30 H new ATOM 0 HA MET A 46 0.313 6.146 4.484 1.00 0.31 H new ATOM 0 HB2 MET A 46 -1.437 7.500 6.547 1.00 0.37 H new ATOM 0 HB3 MET A 46 0.276 7.770 6.288 1.00 0.37 H new ATOM 0 HG2 MET A 46 -0.202 8.649 4.017 1.00 0.40 H new ATOM 0 HG3 MET A 46 -1.914 8.370 4.266 1.00 0.40 H new ATOM 0 HE1 MET A 46 -2.853 10.829 7.087 1.00 1.67 H new ATOM 0 HE2 MET A 46 -2.965 9.127 6.576 1.00 1.67 H new ATOM 0 HE3 MET A 46 -1.733 9.621 7.762 1.00 1.67 H new ATOM 687 N GLU A 47 -1.366 4.477 6.732 1.00 0.36 N ATOM 688 CA GLU A 47 -1.312 3.397 7.707 1.00 0.42 C ATOM 689 C GLU A 47 -0.737 2.159 7.020 1.00 0.43 C ATOM 690 O GLU A 47 0.141 1.493 7.563 1.00 0.52 O ATOM 691 CB GLU A 47 -2.729 3.131 8.234 1.00 0.45 C ATOM 692 CG GLU A 47 -2.895 1.943 9.175 1.00 0.62 C ATOM 693 CD GLU A 47 -2.149 2.061 10.463 1.00 1.07 C ATOM 694 OE1 GLU A 47 -2.393 3.025 11.209 1.00 1.29 O ATOM 695 OE2 GLU A 47 -1.332 1.179 10.779 1.00 1.97 O ATOM 0 H GLU A 47 -2.313 4.721 6.442 1.00 0.36 H new ATOM 0 HA GLU A 47 -0.676 3.660 8.552 1.00 0.42 H new ATOM 0 HB2 GLU A 47 -3.074 4.026 8.751 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.388 2.983 7.379 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -3.955 1.816 9.395 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -2.565 1.040 8.661 1.00 0.62 H new ATOM 702 N THR A 48 -1.234 1.887 5.809 1.00 0.39 N ATOM 703 CA THR A 48 -0.746 0.806 4.965 1.00 0.44 C ATOM 704 C THR A 48 0.780 0.956 4.797 1.00 0.45 C ATOM 705 O THR A 48 1.552 0.012 5.047 1.00 0.56 O ATOM 706 CB THR A 48 -1.418 0.923 3.581 1.00 0.44 C ATOM 707 OG1 THR A 48 -2.834 1.087 3.747 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.159 -0.316 2.747 1.00 0.53 C ATOM 0 H THR A 48 -1.995 2.421 5.388 1.00 0.39 H new ATOM 0 HA THR A 48 -0.977 -0.160 5.414 1.00 0.44 H new ATOM 0 HB THR A 48 -0.996 1.787 3.068 1.00 0.44 H new ATOM 0 HG1 THR A 48 -3.208 0.289 4.176 1.00 0.49 H new ATOM 0 HG21 THR A 48 -1.643 -0.209 1.776 1.00 0.53 H new ATOM 0 HG22 THR A 48 -0.086 -0.441 2.605 1.00 0.53 H new ATOM 0 HG23 THR A 48 -1.562 -1.190 3.259 1.00 0.53 H new ATOM 716 N ALA A 49 1.190 2.155 4.385 1.00 0.37 N ATOM 717 CA ALA A 49 2.589 2.493 4.205 1.00 0.38 C ATOM 718 C ALA A 49 3.379 2.297 5.498 1.00 0.43 C ATOM 719 O ALA A 49 4.386 1.605 5.500 1.00 0.45 O ATOM 720 CB ALA A 49 2.722 3.923 3.714 1.00 0.36 C ATOM 0 H ALA A 49 0.551 2.920 4.167 1.00 0.37 H new ATOM 0 HA ALA A 49 3.006 1.820 3.456 1.00 0.38 H new ATOM 0 HB1 ALA A 49 3.776 4.166 3.582 1.00 0.36 H new ATOM 0 HB2 ALA A 49 2.203 4.030 2.761 1.00 0.36 H new ATOM 0 HB3 ALA A 49 2.282 4.601 4.445 1.00 0.36 H new ATOM 726 N ALA A 50 2.875 2.866 6.595 1.00 0.47 N ATOM 727 CA ALA A 50 3.523 2.800 7.912 1.00 0.57 C ATOM 728 C ALA A 50 3.768 1.364 8.361 1.00 0.62 C ATOM 729 O ALA A 50 4.848 1.042 8.886 1.00 0.68 O ATOM 730 CB ALA A 50 2.696 3.538 8.945 1.00 0.65 C ATOM 0 H ALA A 50 2.000 3.390 6.597 1.00 0.47 H new ATOM 0 HA ALA A 50 4.496 3.283 7.818 1.00 0.57 H new ATOM 0 HB1 ALA A 50 3.189 3.480 9.915 1.00 0.65 H new ATOM 0 HB2 ALA A 50 2.595 4.583 8.651 1.00 0.65 H new ATOM 0 HB3 ALA A 50 1.708 3.083 9.013 1.00 0.65 H new ATOM 736 N ARG A 51 2.772 0.500 8.139 1.00 0.65 N ATOM 737 CA ARG A 51 2.877 -0.923 8.458 1.00 0.76 C ATOM 738 C ARG A 51 4.085 -1.525 7.777 1.00 0.64 C ATOM 739 O ARG A 51 4.899 -2.212 8.402 1.00 0.62 O ATOM 740 CB ARG A 51 1.616 -1.676 8.017 1.00 0.95 C ATOM 741 CG ARG A 51 0.383 -1.373 8.836 1.00 1.23 C ATOM 742 CD ARG A 51 0.566 -1.847 10.254 1.00 0.90 C ATOM 743 NE ARG A 51 -0.612 -1.622 11.075 1.00 1.76 N ATOM 744 CZ ARG A 51 -1.177 -2.575 11.830 1.00 2.17 C ATOM 745 NH1 ARG A 51 -0.826 -3.855 11.678 1.00 2.08 N ATOM 746 NH2 ARG A 51 -2.116 -2.262 12.706 1.00 3.21 N ATOM 0 H ARG A 51 1.875 0.768 7.735 1.00 0.65 H new ATOM 0 HA ARG A 51 2.984 -1.018 9.539 1.00 0.76 H new ATOM 0 HB2 ARG A 51 1.411 -1.435 6.974 1.00 0.95 H new ATOM 0 HB3 ARG A 51 1.813 -2.747 8.064 1.00 0.95 H new ATOM 0 HG2 ARG A 51 0.187 -0.301 8.827 1.00 1.23 H new ATOM 0 HG3 ARG A 51 -0.485 -1.860 8.392 1.00 1.23 H new ATOM 0 HD2 ARG A 51 0.804 -2.911 10.250 1.00 0.90 H new ATOM 0 HD3 ARG A 51 1.418 -1.332 10.698 1.00 0.90 H new ATOM 0 HE ARG A 51 -1.030 -0.692 11.077 1.00 1.76 H new ATOM 0 HH11 ARG A 51 -0.124 -4.112 10.984 1.00 2.08 H new ATOM 0 HH12 ARG A 51 -1.260 -4.575 12.256 1.00 2.08 H new ATOM 0 HH21 ARG A 51 -2.414 -1.292 12.810 1.00 3.21 H new ATOM 0 HH22 ARG A 51 -2.543 -2.991 13.278 1.00 3.21 H new ATOM 760 N LEU A 52 4.210 -1.229 6.513 1.00 0.60 N ATOM 761 CA LEU A 52 5.294 -1.723 5.708 1.00 0.55 C ATOM 762 C LEU A 52 6.620 -1.033 6.034 1.00 0.46 C ATOM 763 O LEU A 52 7.668 -1.664 5.957 1.00 0.45 O ATOM 764 CB LEU A 52 4.936 -1.622 4.233 1.00 0.61 C ATOM 765 CG LEU A 52 3.726 -2.468 3.822 1.00 0.76 C ATOM 766 CD1 LEU A 52 3.348 -2.211 2.389 1.00 0.87 C ATOM 767 CD2 LEU A 52 4.012 -3.946 4.033 1.00 0.93 C ATOM 0 H LEU A 52 3.556 -0.632 6.007 1.00 0.60 H new ATOM 0 HA LEU A 52 5.444 -2.776 5.948 1.00 0.55 H new ATOM 0 HB2 LEU A 52 4.735 -0.579 3.990 1.00 0.61 H new ATOM 0 HB3 LEU A 52 5.798 -1.928 3.640 1.00 0.61 H new ATOM 0 HG LEU A 52 2.886 -2.179 4.453 1.00 0.76 H new ATOM 0 HD11 LEU A 52 2.487 -2.824 2.124 1.00 0.87 H new ATOM 0 HD12 LEU A 52 3.096 -1.158 2.262 1.00 0.87 H new ATOM 0 HD13 LEU A 52 4.187 -2.464 1.740 1.00 0.87 H new ATOM 0 HD21 LEU A 52 3.142 -4.531 3.736 1.00 0.93 H new ATOM 0 HD22 LEU A 52 4.870 -4.240 3.429 1.00 0.93 H new ATOM 0 HD23 LEU A 52 4.229 -4.128 5.086 1.00 0.93 H new ATOM 779 N GLU A 53 6.575 0.239 6.419 1.00 0.45 N ATOM 780 CA GLU A 53 7.783 0.962 6.834 1.00 0.44 C ATOM 781 C GLU A 53 8.415 0.296 8.029 1.00 0.46 C ATOM 782 O GLU A 53 9.559 -0.126 7.969 1.00 0.50 O ATOM 783 CB GLU A 53 7.502 2.410 7.199 1.00 0.52 C ATOM 784 CG GLU A 53 7.059 3.293 6.070 1.00 0.44 C ATOM 785 CD GLU A 53 6.892 4.705 6.537 1.00 0.45 C ATOM 786 OE1 GLU A 53 5.823 5.042 7.064 1.00 0.57 O ATOM 787 OE2 GLU A 53 7.846 5.505 6.419 1.00 0.45 O ATOM 0 H GLU A 53 5.719 0.793 6.454 1.00 0.45 H new ATOM 0 HA GLU A 53 8.456 0.941 5.976 1.00 0.44 H new ATOM 0 HB2 GLU A 53 6.734 2.428 7.972 1.00 0.52 H new ATOM 0 HB3 GLU A 53 8.405 2.837 7.636 1.00 0.52 H new ATOM 0 HG2 GLU A 53 7.791 3.256 5.264 1.00 0.44 H new ATOM 0 HG3 GLU A 53 6.117 2.926 5.662 1.00 0.44 H new ATOM 794 N SER A 54 7.641 0.160 9.088 1.00 0.49 N ATOM 795 CA SER A 54 8.106 -0.415 10.339 1.00 0.56 C ATOM 796 C SER A 54 8.491 -1.903 10.173 1.00 0.55 C ATOM 797 O SER A 54 9.286 -2.450 10.941 1.00 0.67 O ATOM 798 CB SER A 54 7.011 -0.251 11.389 1.00 0.67 C ATOM 799 OG SER A 54 6.550 1.105 11.432 1.00 1.36 O ATOM 0 H SER A 54 6.663 0.448 9.106 1.00 0.49 H new ATOM 0 HA SER A 54 9.006 0.110 10.659 1.00 0.56 H new ATOM 0 HB2 SER A 54 6.178 -0.916 11.160 1.00 0.67 H new ATOM 0 HB3 SER A 54 7.392 -0.542 12.368 1.00 0.67 H new ATOM 0 HG SER A 54 5.883 1.246 10.728 1.00 1.36 H new ATOM 805 N ARG A 55 7.927 -2.533 9.170 1.00 0.52 N ATOM 806 CA ARG A 55 8.167 -3.935 8.900 1.00 0.57 C ATOM 807 C ARG A 55 9.432 -4.126 8.030 1.00 0.54 C ATOM 808 O ARG A 55 10.358 -4.847 8.401 1.00 0.65 O ATOM 809 CB ARG A 55 6.914 -4.521 8.226 1.00 0.67 C ATOM 810 CG ARG A 55 6.943 -6.000 7.908 1.00 0.77 C ATOM 811 CD ARG A 55 5.598 -6.447 7.340 1.00 0.96 C ATOM 812 NE ARG A 55 5.631 -7.831 6.885 1.00 1.60 N ATOM 813 CZ ARG A 55 5.124 -8.250 5.717 1.00 2.10 C ATOM 814 NH1 ARG A 55 4.253 -7.490 5.048 1.00 1.89 N ATOM 815 NH2 ARG A 55 5.413 -9.458 5.265 1.00 3.10 N ATOM 0 H ARG A 55 7.285 -2.088 8.514 1.00 0.52 H new ATOM 0 HA ARG A 55 8.353 -4.467 9.833 1.00 0.57 H new ATOM 0 HB2 ARG A 55 6.058 -4.329 8.873 1.00 0.67 H new ATOM 0 HB3 ARG A 55 6.741 -3.977 7.298 1.00 0.67 H new ATOM 0 HG2 ARG A 55 7.736 -6.209 7.190 1.00 0.77 H new ATOM 0 HG3 ARG A 55 7.172 -6.568 8.810 1.00 0.77 H new ATOM 0 HD2 ARG A 55 4.827 -6.334 8.102 1.00 0.96 H new ATOM 0 HD3 ARG A 55 5.322 -5.798 6.509 1.00 0.96 H new ATOM 0 HE ARG A 55 6.067 -8.524 7.493 1.00 1.60 H new ATOM 0 HH11 ARG A 55 3.970 -6.586 5.425 1.00 1.89 H new ATOM 0 HH12 ARG A 55 3.871 -7.814 4.160 1.00 1.89 H new ATOM 0 HH21 ARG A 55 6.022 -10.072 5.805 1.00 3.10 H new ATOM 0 HH22 ARG A 55 5.027 -9.776 4.376 1.00 3.10 H new ATOM 829 N TYR A 56 9.491 -3.440 6.908 1.00 0.50 N ATOM 830 CA TYR A 56 10.589 -3.617 5.960 1.00 0.57 C ATOM 831 C TYR A 56 11.777 -2.700 6.207 1.00 0.59 C ATOM 832 O TYR A 56 12.892 -3.008 5.787 1.00 0.73 O ATOM 833 CB TYR A 56 10.096 -3.509 4.515 1.00 0.65 C ATOM 834 CG TYR A 56 9.252 -4.687 4.095 1.00 0.72 C ATOM 835 CD1 TYR A 56 7.884 -4.711 4.317 1.00 0.76 C ATOM 836 CD2 TYR A 56 9.836 -5.790 3.494 1.00 0.89 C ATOM 837 CE1 TYR A 56 7.128 -5.807 3.955 1.00 0.91 C ATOM 838 CE2 TYR A 56 9.087 -6.880 3.126 1.00 1.03 C ATOM 839 CZ TYR A 56 7.735 -6.887 3.358 1.00 1.03 C ATOM 840 OH TYR A 56 6.988 -7.991 2.996 1.00 1.21 O ATOM 0 H TYR A 56 8.794 -2.752 6.623 1.00 0.50 H new ATOM 0 HA TYR A 56 10.961 -4.628 6.129 1.00 0.57 H new ATOM 0 HB2 TYR A 56 9.516 -2.593 4.402 1.00 0.65 H new ATOM 0 HB3 TYR A 56 10.954 -3.427 3.848 1.00 0.65 H new ATOM 0 HD1 TYR A 56 7.404 -3.861 4.779 1.00 0.76 H new ATOM 0 HD2 TYR A 56 10.900 -5.792 3.312 1.00 0.89 H new ATOM 0 HE1 TYR A 56 6.064 -5.817 4.140 1.00 0.91 H new ATOM 0 HE2 TYR A 56 9.560 -7.729 2.655 1.00 1.03 H new ATOM 0 HH TYR A 56 6.063 -7.717 2.822 1.00 1.21 H new ATOM 850 N GLY A 57 11.559 -1.607 6.891 1.00 0.52 N ATOM 851 CA GLY A 57 12.638 -0.679 7.161 1.00 0.56 C ATOM 852 C GLY A 57 12.775 0.352 6.068 1.00 0.54 C ATOM 853 O GLY A 57 13.886 0.812 5.763 1.00 0.68 O ATOM 0 H GLY A 57 10.653 -1.334 7.271 1.00 0.52 H new ATOM 0 HA2 GLY A 57 12.458 -0.179 8.112 1.00 0.56 H new ATOM 0 HA3 GLY A 57 13.574 -1.229 7.262 1.00 0.56 H new ATOM 857 N VAL A 58 11.657 0.709 5.473 1.00 0.47 N ATOM 858 CA VAL A 58 11.631 1.700 4.414 1.00 0.44 C ATOM 859 C VAL A 58 11.133 3.027 4.927 1.00 0.42 C ATOM 860 O VAL A 58 10.692 3.126 6.072 1.00 0.44 O ATOM 861 CB VAL A 58 10.809 1.269 3.169 1.00 0.46 C ATOM 862 CG1 VAL A 58 11.481 0.122 2.465 1.00 0.55 C ATOM 863 CG2 VAL A 58 9.382 0.887 3.552 1.00 0.43 C ATOM 0 H VAL A 58 10.742 0.323 5.707 1.00 0.47 H new ATOM 0 HA VAL A 58 12.665 1.799 4.084 1.00 0.44 H new ATOM 0 HB VAL A 58 10.761 2.121 2.491 1.00 0.46 H new ATOM 0 HG11 VAL A 58 10.891 -0.167 1.595 1.00 0.55 H new ATOM 0 HG12 VAL A 58 12.477 0.426 2.143 1.00 0.55 H new ATOM 0 HG13 VAL A 58 11.562 -0.725 3.146 1.00 0.55 H new ATOM 0 HG21 VAL A 58 8.833 0.590 2.659 1.00 0.43 H new ATOM 0 HG22 VAL A 58 9.405 0.056 4.257 1.00 0.43 H new ATOM 0 HG23 VAL A 58 8.888 1.742 4.014 1.00 0.43 H new ATOM 873 N SER A 59 11.158 4.018 4.083 1.00 0.43 N ATOM 874 CA SER A 59 10.744 5.339 4.457 1.00 0.48 C ATOM 875 C SER A 59 9.732 5.840 3.437 1.00 0.43 C ATOM 876 O SER A 59 10.078 6.075 2.275 1.00 0.49 O ATOM 877 CB SER A 59 11.972 6.245 4.481 1.00 0.65 C ATOM 878 OG SER A 59 13.025 5.651 5.246 1.00 1.28 O ATOM 0 H SER A 59 11.467 3.932 3.115 1.00 0.43 H new ATOM 0 HA SER A 59 10.282 5.337 5.444 1.00 0.48 H new ATOM 0 HB2 SER A 59 12.315 6.428 3.463 1.00 0.65 H new ATOM 0 HB3 SER A 59 11.708 7.213 4.907 1.00 0.65 H new ATOM 0 HG SER A 59 13.804 6.246 5.248 1.00 1.28 H new ATOM 884 N ILE A 60 8.498 5.935 3.841 1.00 0.39 N ATOM 885 CA ILE A 60 7.438 6.369 2.961 1.00 0.38 C ATOM 886 C ILE A 60 6.755 7.606 3.537 1.00 0.41 C ATOM 887 O ILE A 60 6.098 7.534 4.581 1.00 0.45 O ATOM 888 CB ILE A 60 6.376 5.257 2.765 1.00 0.37 C ATOM 889 CG1 ILE A 60 7.043 3.963 2.279 1.00 0.45 C ATOM 890 CG2 ILE A 60 5.311 5.715 1.763 1.00 0.38 C ATOM 891 CD1 ILE A 60 6.109 2.781 2.217 1.00 0.82 C ATOM 0 H ILE A 60 8.193 5.715 4.789 1.00 0.39 H new ATOM 0 HA ILE A 60 7.886 6.602 1.995 1.00 0.38 H new ATOM 0 HB ILE A 60 5.894 5.061 3.723 1.00 0.37 H new ATOM 0 HG12 ILE A 60 7.465 4.133 1.288 1.00 0.45 H new ATOM 0 HG13 ILE A 60 7.874 3.723 2.942 1.00 0.45 H new ATOM 0 HG21 ILE A 60 4.570 4.926 1.633 1.00 0.38 H new ATOM 0 HG22 ILE A 60 4.822 6.614 2.138 1.00 0.38 H new ATOM 0 HG23 ILE A 60 5.782 5.931 0.804 1.00 0.38 H new ATOM 0 HD11 ILE A 60 6.654 1.905 1.865 1.00 0.82 H new ATOM 0 HD12 ILE A 60 5.706 2.583 3.210 1.00 0.82 H new ATOM 0 HD13 ILE A 60 5.291 2.999 1.531 1.00 0.82 H new ATOM 903 N PRO A 61 6.929 8.761 2.897 1.00 0.48 N ATOM 904 CA PRO A 61 6.257 9.983 3.309 1.00 0.55 C ATOM 905 C PRO A 61 4.733 9.847 3.162 1.00 0.49 C ATOM 906 O PRO A 61 4.226 9.279 2.173 1.00 0.43 O ATOM 907 CB PRO A 61 6.812 11.050 2.349 1.00 0.66 C ATOM 908 CG PRO A 61 8.058 10.453 1.796 1.00 0.70 C ATOM 909 CD PRO A 61 7.807 8.980 1.741 1.00 0.58 C ATOM 0 HA PRO A 61 6.433 10.229 4.356 1.00 0.55 H new ATOM 0 HB2 PRO A 61 6.098 11.280 1.558 1.00 0.66 H new ATOM 0 HB3 PRO A 61 7.019 11.984 2.872 1.00 0.66 H new ATOM 0 HG2 PRO A 61 8.277 10.851 0.805 1.00 0.70 H new ATOM 0 HG3 PRO A 61 8.916 10.681 2.428 1.00 0.70 H new ATOM 0 HD2 PRO A 61 7.329 8.685 0.807 1.00 0.58 H new ATOM 0 HD3 PRO A 61 8.732 8.408 1.820 1.00 0.58 H new ATOM 917 N ASP A 62 4.025 10.362 4.136 1.00 0.57 N ATOM 918 CA ASP A 62 2.566 10.281 4.209 1.00 0.56 C ATOM 919 C ASP A 62 1.901 10.996 3.028 1.00 0.48 C ATOM 920 O ASP A 62 0.850 10.566 2.534 1.00 0.46 O ATOM 921 CB ASP A 62 2.048 10.818 5.564 1.00 0.71 C ATOM 922 CG ASP A 62 2.236 12.307 5.786 1.00 1.23 C ATOM 923 OD1 ASP A 62 3.343 12.730 6.178 1.00 1.52 O ATOM 924 OD2 ASP A 62 1.283 13.078 5.610 1.00 1.98 O ATOM 0 H ASP A 62 4.443 10.861 4.921 1.00 0.57 H new ATOM 0 HA ASP A 62 2.290 9.229 4.142 1.00 0.56 H new ATOM 0 HB2 ASP A 62 0.986 10.586 5.646 1.00 0.71 H new ATOM 0 HB3 ASP A 62 2.554 10.281 6.366 1.00 0.71 H new ATOM 929 N ASP A 63 2.570 12.037 2.533 1.00 0.52 N ATOM 930 CA ASP A 63 2.108 12.817 1.366 1.00 0.56 C ATOM 931 C ASP A 63 2.025 11.932 0.122 1.00 0.50 C ATOM 932 O ASP A 63 1.154 12.104 -0.740 1.00 0.60 O ATOM 933 CB ASP A 63 3.088 13.971 1.109 1.00 0.71 C ATOM 934 CG ASP A 63 2.743 14.805 -0.109 1.00 1.56 C ATOM 935 OD1 ASP A 63 1.932 15.757 0.015 1.00 2.31 O ATOM 936 OD2 ASP A 63 3.289 14.541 -1.194 1.00 2.20 O ATOM 0 H ASP A 63 3.451 12.371 2.925 1.00 0.52 H new ATOM 0 HA ASP A 63 1.114 13.211 1.578 1.00 0.56 H new ATOM 0 HB2 ASP A 63 3.112 14.618 1.986 1.00 0.71 H new ATOM 0 HB3 ASP A 63 4.091 13.563 0.987 1.00 0.71 H new ATOM 941 N VAL A 64 2.913 10.967 0.072 1.00 0.46 N ATOM 942 CA VAL A 64 3.032 10.041 -1.041 1.00 0.48 C ATOM 943 C VAL A 64 1.942 8.988 -0.954 1.00 0.42 C ATOM 944 O VAL A 64 1.260 8.702 -1.937 1.00 0.46 O ATOM 945 CB VAL A 64 4.389 9.325 -0.976 1.00 0.54 C ATOM 946 CG1 VAL A 64 4.552 8.355 -2.140 1.00 0.64 C ATOM 947 CG2 VAL A 64 5.529 10.321 -0.963 1.00 0.63 C ATOM 0 H VAL A 64 3.589 10.796 0.817 1.00 0.46 H new ATOM 0 HA VAL A 64 2.942 10.602 -1.971 1.00 0.48 H new ATOM 0 HB VAL A 64 4.417 8.757 -0.046 1.00 0.54 H new ATOM 0 HG11 VAL A 64 5.521 7.862 -2.070 1.00 0.64 H new ATOM 0 HG12 VAL A 64 3.760 7.607 -2.103 1.00 0.64 H new ATOM 0 HG13 VAL A 64 4.491 8.902 -3.081 1.00 0.64 H new ATOM 0 HG21 VAL A 64 6.478 9.787 -0.917 1.00 0.63 H new ATOM 0 HG22 VAL A 64 5.496 10.924 -1.870 1.00 0.63 H new ATOM 0 HG23 VAL A 64 5.435 10.970 -0.092 1.00 0.63 H new ATOM 957 N ALA A 65 1.797 8.408 0.225 1.00 0.45 N ATOM 958 CA ALA A 65 0.829 7.341 0.462 1.00 0.46 C ATOM 959 C ALA A 65 -0.595 7.789 0.143 1.00 0.44 C ATOM 960 O ALA A 65 -1.399 7.013 -0.340 1.00 0.51 O ATOM 961 CB ALA A 65 0.936 6.847 1.889 1.00 0.56 C ATOM 0 H ALA A 65 2.345 8.661 1.047 1.00 0.45 H new ATOM 0 HA ALA A 65 1.064 6.517 -0.212 1.00 0.46 H new ATOM 0 HB1 ALA A 65 0.209 6.051 2.054 1.00 0.56 H new ATOM 0 HB2 ALA A 65 1.941 6.463 2.067 1.00 0.56 H new ATOM 0 HB3 ALA A 65 0.735 7.670 2.575 1.00 0.56 H new ATOM 967 N GLY A 66 -0.877 9.056 0.370 1.00 0.48 N ATOM 968 CA GLY A 66 -2.192 9.581 0.066 1.00 0.57 C ATOM 969 C GLY A 66 -2.331 10.039 -1.385 1.00 0.58 C ATOM 970 O GLY A 66 -3.405 10.466 -1.810 1.00 0.91 O ATOM 0 H GLY A 66 -0.222 9.734 0.759 1.00 0.48 H new ATOM 0 HA2 GLY A 66 -2.940 8.815 0.273 1.00 0.57 H new ATOM 0 HA3 GLY A 66 -2.404 10.420 0.728 1.00 0.57 H new ATOM 974 N ARG A 67 -1.263 9.929 -2.138 1.00 0.43 N ATOM 975 CA ARG A 67 -1.222 10.387 -3.517 1.00 0.48 C ATOM 976 C ARG A 67 -1.443 9.226 -4.501 1.00 0.45 C ATOM 977 O ARG A 67 -1.778 9.448 -5.660 1.00 0.63 O ATOM 978 CB ARG A 67 0.135 11.071 -3.766 1.00 0.59 C ATOM 979 CG ARG A 67 0.416 11.535 -5.186 1.00 1.35 C ATOM 980 CD ARG A 67 1.794 12.150 -5.250 1.00 1.46 C ATOM 981 NE ARG A 67 2.250 12.435 -6.611 1.00 2.35 N ATOM 982 CZ ARG A 67 3.495 12.825 -6.920 1.00 2.83 C ATOM 983 NH1 ARG A 67 4.386 13.055 -5.953 1.00 2.42 N ATOM 984 NH2 ARG A 67 3.835 12.990 -8.196 1.00 3.92 N ATOM 0 H ARG A 67 -0.388 9.517 -1.814 1.00 0.43 H new ATOM 0 HA ARG A 67 -2.030 11.100 -3.684 1.00 0.48 H new ATOM 0 HB2 ARG A 67 0.207 11.935 -3.105 1.00 0.59 H new ATOM 0 HB3 ARG A 67 0.924 10.379 -3.472 1.00 0.59 H new ATOM 0 HG2 ARG A 67 0.349 10.693 -5.875 1.00 1.35 H new ATOM 0 HG3 ARG A 67 -0.334 12.262 -5.498 1.00 1.35 H new ATOM 0 HD2 ARG A 67 1.796 13.076 -4.675 1.00 1.46 H new ATOM 0 HD3 ARG A 67 2.505 11.476 -4.772 1.00 1.46 H new ATOM 0 HE ARG A 67 1.579 12.330 -7.372 1.00 2.35 H new ATOM 0 HH11 ARG A 67 4.120 12.934 -4.976 1.00 2.42 H new ATOM 0 HH12 ARG A 67 5.332 13.352 -6.192 1.00 2.42 H new ATOM 0 HH21 ARG A 67 3.150 12.820 -8.932 1.00 3.92 H new ATOM 0 HH22 ARG A 67 4.781 13.287 -8.438 1.00 3.92 H new ATOM 998 N VAL A 68 -1.277 8.005 -4.034 1.00 0.39 N ATOM 999 CA VAL A 68 -1.409 6.833 -4.907 1.00 0.38 C ATOM 1000 C VAL A 68 -2.873 6.603 -5.348 1.00 0.43 C ATOM 1001 O VAL A 68 -3.800 6.572 -4.528 1.00 0.48 O ATOM 1002 CB VAL A 68 -0.792 5.539 -4.275 1.00 0.34 C ATOM 1003 CG1 VAL A 68 0.703 5.715 -4.061 1.00 0.37 C ATOM 1004 CG2 VAL A 68 -1.464 5.162 -2.965 1.00 0.36 C ATOM 0 H VAL A 68 -1.052 7.789 -3.063 1.00 0.39 H new ATOM 0 HA VAL A 68 -0.828 7.054 -5.802 1.00 0.38 H new ATOM 0 HB VAL A 68 -0.965 4.725 -4.979 1.00 0.34 H new ATOM 0 HG11 VAL A 68 1.117 4.808 -3.621 1.00 0.37 H new ATOM 0 HG12 VAL A 68 1.187 5.908 -5.018 1.00 0.37 H new ATOM 0 HG13 VAL A 68 0.878 6.556 -3.390 1.00 0.37 H new ATOM 0 HG21 VAL A 68 -1.002 4.259 -2.566 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.348 5.976 -2.249 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.525 4.980 -3.139 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.070 6.537 -6.655 1.00 0.51 N ATOM 1015 CA ASP A 69 -4.403 6.332 -7.244 1.00 0.65 C ATOM 1016 C ASP A 69 -4.815 4.879 -7.163 1.00 0.52 C ATOM 1017 O ASP A 69 -5.971 4.566 -6.849 1.00 0.58 O ATOM 1018 CB ASP A 69 -4.455 6.760 -8.724 1.00 0.86 C ATOM 1019 CG ASP A 69 -4.181 8.220 -8.951 1.00 1.39 C ATOM 1020 OD1 ASP A 69 -5.104 9.048 -8.817 1.00 1.44 O ATOM 1021 OD2 ASP A 69 -3.032 8.579 -9.276 1.00 2.20 O ATOM 0 H ASP A 69 -2.321 6.622 -7.342 1.00 0.51 H new ATOM 0 HA ASP A 69 -5.088 6.953 -6.666 1.00 0.65 H new ATOM 0 HB2 ASP A 69 -3.729 6.173 -9.286 1.00 0.86 H new ATOM 0 HB3 ASP A 69 -5.439 6.519 -9.126 1.00 0.86 H new ATOM 1026 N THR A 70 -3.885 4.004 -7.472 1.00 0.42 N ATOM 1027 CA THR A 70 -4.114 2.577 -7.471 1.00 0.34 C ATOM 1028 C THR A 70 -3.061 1.878 -6.606 1.00 0.30 C ATOM 1029 O THR A 70 -1.956 2.421 -6.399 1.00 0.33 O ATOM 1030 CB THR A 70 -4.028 2.012 -8.913 1.00 0.40 C ATOM 1031 OG1 THR A 70 -2.803 2.449 -9.537 1.00 0.51 O ATOM 1032 CG2 THR A 70 -5.212 2.448 -9.754 1.00 0.48 C ATOM 0 H THR A 70 -2.935 4.267 -7.735 1.00 0.42 H new ATOM 0 HA THR A 70 -5.110 2.393 -7.067 1.00 0.34 H new ATOM 0 HB THR A 70 -4.043 0.924 -8.847 1.00 0.40 H new ATOM 0 HG1 THR A 70 -2.753 2.088 -10.447 1.00 0.51 H new ATOM 0 HG21 THR A 70 -5.118 2.033 -10.758 1.00 0.48 H new ATOM 0 HG22 THR A 70 -6.134 2.088 -9.298 1.00 0.48 H new ATOM 0 HG23 THR A 70 -5.236 3.536 -9.812 1.00 0.48 H new ATOM 1040 N PRO A 71 -3.374 0.676 -6.072 1.00 0.31 N ATOM 1041 CA PRO A 71 -2.422 -0.127 -5.293 1.00 0.33 C ATOM 1042 C PRO A 71 -1.181 -0.502 -6.112 1.00 0.32 C ATOM 1043 O PRO A 71 -0.142 -0.811 -5.553 1.00 0.34 O ATOM 1044 CB PRO A 71 -3.222 -1.374 -4.913 1.00 0.38 C ATOM 1045 CG PRO A 71 -4.636 -0.928 -4.980 1.00 0.40 C ATOM 1046 CD PRO A 71 -4.696 0.022 -6.131 1.00 0.35 C ATOM 0 HA PRO A 71 -2.039 0.416 -4.429 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -3.030 -2.197 -5.602 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -2.962 -1.727 -3.915 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -5.308 -1.773 -5.132 1.00 0.40 H new ATOM 0 HG3 PRO A 71 -4.939 -0.442 -4.053 1.00 0.40 H new ATOM 0 HD2 PRO A 71 -4.851 -0.496 -7.077 1.00 0.35 H new ATOM 0 HD3 PRO A 71 -5.509 0.740 -6.023 1.00 0.35 H new ATOM 1054 N ARG A 72 -1.309 -0.461 -7.440 1.00 0.34 N ATOM 1055 CA ARG A 72 -0.193 -0.684 -8.369 1.00 0.39 C ATOM 1056 C ARG A 72 0.940 0.299 -8.054 1.00 0.32 C ATOM 1057 O ARG A 72 2.109 -0.082 -7.946 1.00 0.31 O ATOM 1058 CB ARG A 72 -0.659 -0.426 -9.810 1.00 0.52 C ATOM 1059 CG ARG A 72 0.408 -0.654 -10.880 1.00 0.93 C ATOM 1060 CD ARG A 72 0.627 -2.128 -11.168 1.00 1.15 C ATOM 1061 NE ARG A 72 -0.555 -2.723 -11.805 1.00 1.31 N ATOM 1062 CZ ARG A 72 -0.580 -3.861 -12.509 1.00 1.78 C ATOM 1063 NH1 ARG A 72 0.518 -4.590 -12.682 1.00 2.53 N ATOM 1064 NH2 ARG A 72 -1.709 -4.242 -13.064 1.00 1.99 N ATOM 0 H ARG A 72 -2.196 -0.271 -7.907 1.00 0.34 H new ATOM 0 HA ARG A 72 0.153 -1.712 -8.262 1.00 0.39 H new ATOM 0 HB2 ARG A 72 -1.510 -1.072 -10.023 1.00 0.52 H new ATOM 0 HB3 ARG A 72 -1.013 0.602 -9.884 1.00 0.52 H new ATOM 0 HG2 ARG A 72 0.113 -0.146 -11.798 1.00 0.93 H new ATOM 0 HG3 ARG A 72 1.347 -0.206 -10.555 1.00 0.93 H new ATOM 0 HD2 ARG A 72 1.494 -2.250 -11.817 1.00 1.15 H new ATOM 0 HD3 ARG A 72 0.847 -2.654 -10.239 1.00 1.15 H new ATOM 0 HE ARG A 72 -1.438 -2.223 -11.701 1.00 1.31 H new ATOM 0 HH11 ARG A 72 1.402 -4.285 -12.274 1.00 2.53 H new ATOM 0 HH12 ARG A 72 0.477 -5.454 -13.222 1.00 2.53 H new ATOM 0 HH21 ARG A 72 -2.548 -3.673 -12.955 1.00 1.99 H new ATOM 0 HH22 ARG A 72 -1.746 -5.107 -13.604 1.00 1.99 H new ATOM 1078 N GLU A 73 0.558 1.555 -7.865 1.00 0.31 N ATOM 1079 CA GLU A 73 1.489 2.637 -7.610 1.00 0.32 C ATOM 1080 C GLU A 73 2.121 2.456 -6.228 1.00 0.26 C ATOM 1081 O GLU A 73 3.327 2.661 -6.043 1.00 0.30 O ATOM 1082 CB GLU A 73 0.730 3.964 -7.679 1.00 0.45 C ATOM 1083 CG GLU A 73 1.603 5.200 -7.701 1.00 0.53 C ATOM 1084 CD GLU A 73 2.484 5.244 -8.919 1.00 1.09 C ATOM 1085 OE1 GLU A 73 1.965 5.254 -10.053 1.00 1.51 O ATOM 1086 OE2 GLU A 73 3.709 5.235 -8.779 1.00 1.86 O ATOM 0 H GLU A 73 -0.418 1.850 -7.885 1.00 0.31 H new ATOM 0 HA GLU A 73 2.283 2.634 -8.357 1.00 0.32 H new ATOM 0 HB2 GLU A 73 0.106 3.962 -8.573 1.00 0.45 H new ATOM 0 HB3 GLU A 73 0.059 4.027 -6.822 1.00 0.45 H new ATOM 0 HG2 GLU A 73 0.973 6.089 -7.676 1.00 0.53 H new ATOM 0 HG3 GLU A 73 2.222 5.223 -6.804 1.00 0.53 H new ATOM 1093 N LEU A 74 1.291 2.037 -5.283 1.00 0.25 N ATOM 1094 CA LEU A 74 1.696 1.791 -3.904 1.00 0.26 C ATOM 1095 C LEU A 74 2.732 0.637 -3.901 1.00 0.24 C ATOM 1096 O LEU A 74 3.790 0.726 -3.268 1.00 0.27 O ATOM 1097 CB LEU A 74 0.412 1.437 -3.086 1.00 0.29 C ATOM 1098 CG LEU A 74 0.434 1.540 -1.538 1.00 0.33 C ATOM 1099 CD1 LEU A 74 -0.961 1.291 -0.989 1.00 1.30 C ATOM 1100 CD2 LEU A 74 1.404 0.559 -0.905 1.00 1.14 C ATOM 0 H LEU A 74 0.302 1.855 -5.454 1.00 0.25 H new ATOM 0 HA LEU A 74 2.165 2.663 -3.447 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.390 2.082 -3.444 1.00 0.29 H new ATOM 0 HB3 LEU A 74 0.136 0.414 -3.340 1.00 0.29 H new ATOM 0 HG LEU A 74 0.770 2.546 -1.286 1.00 0.33 H new ATOM 0 HD11 LEU A 74 -0.942 1.364 0.098 1.00 1.30 H new ATOM 0 HD12 LEU A 74 -1.648 2.035 -1.391 1.00 1.30 H new ATOM 0 HD13 LEU A 74 -1.294 0.295 -1.280 1.00 1.30 H new ATOM 0 HD21 LEU A 74 1.381 0.672 0.179 1.00 1.14 H new ATOM 0 HD22 LEU A 74 1.117 -0.459 -1.170 1.00 1.14 H new ATOM 0 HD23 LEU A 74 2.412 0.758 -1.269 1.00 1.14 H new ATOM 1112 N LEU A 75 2.421 -0.412 -4.656 1.00 0.22 N ATOM 1113 CA LEU A 75 3.278 -1.584 -4.813 1.00 0.24 C ATOM 1114 C LEU A 75 4.641 -1.190 -5.385 1.00 0.23 C ATOM 1115 O LEU A 75 5.691 -1.465 -4.775 1.00 0.25 O ATOM 1116 CB LEU A 75 2.601 -2.590 -5.763 1.00 0.28 C ATOM 1117 CG LEU A 75 3.347 -3.902 -6.021 1.00 0.36 C ATOM 1118 CD1 LEU A 75 3.437 -4.723 -4.752 1.00 0.42 C ATOM 1119 CD2 LEU A 75 2.669 -4.694 -7.126 1.00 0.47 C ATOM 0 H LEU A 75 1.551 -0.473 -5.185 1.00 0.22 H new ATOM 0 HA LEU A 75 3.428 -2.036 -3.833 1.00 0.24 H new ATOM 0 HB2 LEU A 75 1.618 -2.831 -5.358 1.00 0.28 H new ATOM 0 HB3 LEU A 75 2.439 -2.097 -6.721 1.00 0.28 H new ATOM 0 HG LEU A 75 4.360 -3.662 -6.345 1.00 0.36 H new ATOM 0 HD11 LEU A 75 3.971 -5.651 -4.956 1.00 0.42 H new ATOM 0 HD12 LEU A 75 3.972 -4.157 -3.990 1.00 0.42 H new ATOM 0 HD13 LEU A 75 2.433 -4.953 -4.395 1.00 0.42 H new ATOM 0 HD21 LEU A 75 3.214 -5.623 -7.295 1.00 0.47 H new ATOM 0 HD22 LEU A 75 1.644 -4.922 -6.834 1.00 0.47 H new ATOM 0 HD23 LEU A 75 2.662 -4.106 -8.044 1.00 0.47 H new ATOM 1131 N ASP A 76 4.612 -0.514 -6.535 1.00 0.24 N ATOM 1132 CA ASP A 76 5.830 -0.109 -7.253 1.00 0.30 C ATOM 1133 C ASP A 76 6.702 0.800 -6.410 1.00 0.28 C ATOM 1134 O ASP A 76 7.932 0.708 -6.458 1.00 0.31 O ATOM 1135 CB ASP A 76 5.487 0.583 -8.570 1.00 0.40 C ATOM 1136 CG ASP A 76 6.722 0.962 -9.369 1.00 0.57 C ATOM 1137 OD1 ASP A 76 7.250 0.111 -10.104 1.00 0.76 O ATOM 1138 OD2 ASP A 76 7.172 2.132 -9.297 1.00 0.64 O ATOM 0 H ASP A 76 3.748 -0.231 -6.997 1.00 0.24 H new ATOM 0 HA ASP A 76 6.389 -1.020 -7.466 1.00 0.30 H new ATOM 0 HB2 ASP A 76 4.859 -0.076 -9.170 1.00 0.40 H new ATOM 0 HB3 ASP A 76 4.903 1.480 -8.364 1.00 0.40 H new ATOM 1143 N LEU A 77 6.059 1.651 -5.625 1.00 0.27 N ATOM 1144 CA LEU A 77 6.741 2.573 -4.725 1.00 0.29 C ATOM 1145 C LEU A 77 7.640 1.806 -3.781 1.00 0.28 C ATOM 1146 O LEU A 77 8.844 2.045 -3.702 1.00 0.33 O ATOM 1147 CB LEU A 77 5.708 3.358 -3.905 1.00 0.32 C ATOM 1148 CG LEU A 77 6.255 4.313 -2.843 1.00 0.43 C ATOM 1149 CD1 LEU A 77 7.022 5.466 -3.474 1.00 0.96 C ATOM 1150 CD2 LEU A 77 5.130 4.817 -1.958 1.00 0.63 C ATOM 0 H LEU A 77 5.042 1.723 -5.593 1.00 0.27 H new ATOM 0 HA LEU A 77 7.341 3.263 -5.319 1.00 0.29 H new ATOM 0 HB2 LEU A 77 5.092 3.934 -4.596 1.00 0.32 H new ATOM 0 HB3 LEU A 77 5.050 2.642 -3.412 1.00 0.32 H new ATOM 0 HG LEU A 77 6.960 3.762 -2.220 1.00 0.43 H new ATOM 0 HD11 LEU A 77 7.397 6.125 -2.691 1.00 0.96 H new ATOM 0 HD12 LEU A 77 7.860 5.074 -4.050 1.00 0.96 H new ATOM 0 HD13 LEU A 77 6.359 6.026 -4.134 1.00 0.96 H new ATOM 0 HD21 LEU A 77 5.534 5.496 -1.207 1.00 0.63 H new ATOM 0 HD22 LEU A 77 4.397 5.345 -2.567 1.00 0.63 H new ATOM 0 HD23 LEU A 77 4.650 3.973 -1.463 1.00 0.63 H new ATOM 1162 N ILE A 78 7.063 0.842 -3.123 1.00 0.25 N ATOM 1163 CA ILE A 78 7.776 0.101 -2.132 1.00 0.28 C ATOM 1164 C ILE A 78 8.716 -0.917 -2.768 1.00 0.30 C ATOM 1165 O ILE A 78 9.771 -1.191 -2.232 1.00 0.34 O ATOM 1166 CB ILE A 78 6.816 -0.549 -1.121 1.00 0.34 C ATOM 1167 CG1 ILE A 78 5.863 0.534 -0.605 1.00 0.40 C ATOM 1168 CG2 ILE A 78 7.604 -1.156 0.050 1.00 0.40 C ATOM 1169 CD1 ILE A 78 4.788 0.036 0.308 1.00 0.51 C ATOM 0 H ILE A 78 6.095 0.552 -3.259 1.00 0.25 H new ATOM 0 HA ILE A 78 8.398 0.802 -1.575 1.00 0.28 H new ATOM 0 HB ILE A 78 6.255 -1.350 -1.603 1.00 0.34 H new ATOM 0 HG12 ILE A 78 6.445 1.291 -0.080 1.00 0.40 H new ATOM 0 HG13 ILE A 78 5.397 1.026 -1.459 1.00 0.40 H new ATOM 0 HG21 ILE A 78 6.911 -1.612 0.757 1.00 0.40 H new ATOM 0 HG22 ILE A 78 8.290 -1.915 -0.327 1.00 0.40 H new ATOM 0 HG23 ILE A 78 8.171 -0.372 0.552 1.00 0.40 H new ATOM 0 HD11 ILE A 78 4.162 0.871 0.623 1.00 0.51 H new ATOM 0 HD12 ILE A 78 4.176 -0.698 -0.217 1.00 0.51 H new ATOM 0 HD13 ILE A 78 5.241 -0.429 1.184 1.00 0.51 H new ATOM 1181 N ASN A 79 8.365 -1.439 -3.943 1.00 0.34 N ATOM 1182 CA ASN A 79 9.283 -2.356 -4.649 1.00 0.43 C ATOM 1183 C ASN A 79 10.533 -1.619 -5.061 1.00 0.46 C ATOM 1184 O ASN A 79 11.643 -2.155 -4.976 1.00 0.50 O ATOM 1185 CB ASN A 79 8.667 -3.060 -5.879 1.00 0.55 C ATOM 1186 CG ASN A 79 7.770 -4.252 -5.562 1.00 0.62 C ATOM 1187 OD1 ASN A 79 6.984 -4.174 -4.527 1.00 1.33 O flip ATOM 1188 ND2 ASN A 79 7.759 -5.227 -6.290 1.00 0.84 N flip ATOM 0 H ASN A 79 7.483 -1.256 -4.421 1.00 0.34 H new ATOM 0 HA ASN A 79 9.514 -3.146 -3.935 1.00 0.43 H new ATOM 0 HB2 ASN A 79 8.088 -2.329 -6.444 1.00 0.55 H new ATOM 0 HB3 ASN A 79 9.475 -3.396 -6.528 1.00 0.55 H new ATOM 0 HD21 ASN A 79 8.383 -5.269 -7.096 1.00 0.84 H new ATOM 0 HD22 ASN A 79 7.126 -6.003 -6.094 1.00 0.84 H new ATOM 1195 N GLY A 80 10.351 -0.387 -5.500 1.00 0.47 N ATOM 1196 CA GLY A 80 11.467 0.449 -5.841 1.00 0.56 C ATOM 1197 C GLY A 80 12.269 0.782 -4.616 1.00 0.55 C ATOM 1198 O GLY A 80 13.481 0.624 -4.604 1.00 0.63 O ATOM 0 H GLY A 80 9.437 0.049 -5.626 1.00 0.47 H new ATOM 0 HA2 GLY A 80 12.099 -0.058 -6.570 1.00 0.56 H new ATOM 0 HA3 GLY A 80 11.112 1.366 -6.311 1.00 0.56 H new ATOM 1202 N ALA A 81 11.571 1.201 -3.567 1.00 0.49 N ATOM 1203 CA ALA A 81 12.190 1.532 -2.293 1.00 0.53 C ATOM 1204 C ALA A 81 13.039 0.379 -1.767 1.00 0.50 C ATOM 1205 O ALA A 81 14.177 0.582 -1.389 1.00 0.61 O ATOM 1206 CB ALA A 81 11.132 1.926 -1.269 1.00 0.53 C ATOM 0 H ALA A 81 10.558 1.320 -3.578 1.00 0.49 H new ATOM 0 HA ALA A 81 12.851 2.383 -2.458 1.00 0.53 H new ATOM 0 HB1 ALA A 81 11.615 2.170 -0.323 1.00 0.53 H new ATOM 0 HB2 ALA A 81 10.582 2.795 -1.630 1.00 0.53 H new ATOM 0 HB3 ALA A 81 10.442 1.095 -1.121 1.00 0.53 H new ATOM 1212 N LEU A 82 12.485 -0.831 -1.793 1.00 0.42 N ATOM 1213 CA LEU A 82 13.176 -2.035 -1.322 1.00 0.44 C ATOM 1214 C LEU A 82 14.419 -2.339 -2.149 1.00 0.56 C ATOM 1215 O LEU A 82 15.438 -2.795 -1.610 1.00 0.74 O ATOM 1216 CB LEU A 82 12.237 -3.248 -1.337 1.00 0.40 C ATOM 1217 CG LEU A 82 11.050 -3.202 -0.374 1.00 0.38 C ATOM 1218 CD1 LEU A 82 10.133 -4.385 -0.604 1.00 0.45 C ATOM 1219 CD2 LEU A 82 11.532 -3.192 1.057 1.00 0.46 C ATOM 0 H LEU A 82 11.543 -1.007 -2.141 1.00 0.42 H new ATOM 0 HA LEU A 82 13.490 -1.837 -0.297 1.00 0.44 H new ATOM 0 HB2 LEU A 82 11.851 -3.369 -2.349 1.00 0.40 H new ATOM 0 HB3 LEU A 82 12.825 -4.138 -1.112 1.00 0.40 H new ATOM 0 HG LEU A 82 10.492 -2.285 -0.563 1.00 0.38 H new ATOM 0 HD11 LEU A 82 9.294 -4.335 0.090 1.00 0.45 H new ATOM 0 HD12 LEU A 82 9.759 -4.362 -1.628 1.00 0.45 H new ATOM 0 HD13 LEU A 82 10.685 -5.311 -0.440 1.00 0.45 H new ATOM 0 HD21 LEU A 82 10.675 -3.159 1.729 1.00 0.46 H new ATOM 0 HD22 LEU A 82 12.112 -4.094 1.252 1.00 0.46 H new ATOM 0 HD23 LEU A 82 12.158 -2.315 1.224 1.00 0.46 H new ATOM 1231 N ALA A 83 14.352 -2.065 -3.442 1.00 0.56 N ATOM 1232 CA ALA A 83 15.461 -2.338 -4.344 1.00 0.71 C ATOM 1233 C ALA A 83 16.651 -1.422 -4.058 1.00 0.84 C ATOM 1234 O ALA A 83 17.796 -1.772 -4.342 1.00 1.00 O ATOM 1235 CB ALA A 83 15.020 -2.236 -5.792 1.00 0.78 C ATOM 0 H ALA A 83 13.536 -1.651 -3.893 1.00 0.56 H new ATOM 0 HA ALA A 83 15.790 -3.362 -4.167 1.00 0.71 H new ATOM 0 HB1 ALA A 83 15.867 -2.444 -6.446 1.00 0.78 H new ATOM 0 HB2 ALA A 83 14.228 -2.960 -5.983 1.00 0.78 H new ATOM 0 HB3 ALA A 83 14.648 -1.231 -5.989 1.00 0.78 H new ATOM 1241 N GLU A 84 16.383 -0.257 -3.496 1.00 0.89 N ATOM 1242 CA GLU A 84 17.454 0.630 -3.090 1.00 1.12 C ATOM 1243 C GLU A 84 17.591 0.664 -1.566 1.00 1.10 C ATOM 1244 O GLU A 84 18.279 1.537 -1.012 1.00 1.37 O ATOM 1245 CB GLU A 84 17.298 2.065 -3.630 1.00 1.34 C ATOM 1246 CG GLU A 84 17.427 2.234 -5.141 1.00 1.96 C ATOM 1247 CD GLU A 84 16.151 1.989 -5.893 1.00 2.48 C ATOM 1248 OE1 GLU A 84 15.340 2.943 -5.998 1.00 2.77 O ATOM 1249 OE2 GLU A 84 15.944 0.883 -6.422 1.00 3.17 O ATOM 0 H GLU A 84 15.443 0.093 -3.312 1.00 0.89 H new ATOM 0 HA GLU A 84 18.362 0.218 -3.531 1.00 1.12 H new ATOM 0 HB2 GLU A 84 16.321 2.441 -3.325 1.00 1.34 H new ATOM 0 HB3 GLU A 84 18.047 2.695 -3.150 1.00 1.34 H new ATOM 0 HG2 GLU A 84 17.775 3.245 -5.355 1.00 1.96 H new ATOM 0 HG3 GLU A 84 18.191 1.549 -5.509 1.00 1.96 H new ATOM 1256 N ALA A 85 16.978 -0.287 -0.890 1.00 1.08 N ATOM 1257 CA ALA A 85 17.035 -0.339 0.566 1.00 1.24 C ATOM 1258 C ALA A 85 17.883 -1.498 1.053 1.00 1.57 C ATOM 1259 O ALA A 85 18.827 -1.299 1.821 1.00 1.86 O ATOM 1260 CB ALA A 85 15.642 -0.416 1.180 1.00 1.36 C ATOM 0 H ALA A 85 16.434 -1.035 -1.320 1.00 1.08 H new ATOM 0 HA ALA A 85 17.504 0.589 0.893 1.00 1.24 H new ATOM 0 HB1 ALA A 85 15.725 -0.453 2.266 1.00 1.36 H new ATOM 0 HB2 ALA A 85 15.067 0.464 0.890 1.00 1.36 H new ATOM 0 HB3 ALA A 85 15.136 -1.313 0.824 1.00 1.36 H new ATOM 1266 N ALA A 86 17.557 -2.695 0.610 1.00 2.28 N ATOM 1267 CA ALA A 86 18.255 -3.879 1.045 1.00 2.95 C ATOM 1268 C ALA A 86 18.225 -4.922 -0.046 1.00 3.59 C ATOM 1269 O ALA A 86 19.250 -5.141 -0.699 1.00 4.18 O ATOM 1270 CB ALA A 86 17.643 -4.429 2.332 1.00 3.65 C ATOM 1271 OXT ALA A 86 17.155 -5.534 -0.272 1.00 3.96 O ATOM 0 H ALA A 86 16.805 -2.870 -0.057 1.00 2.28 H new ATOM 0 HA ALA A 86 19.292 -3.616 1.254 1.00 2.95 H new ATOM 0 HB1 ALA A 86 18.186 -5.322 2.641 1.00 3.65 H new ATOM 0 HB2 ALA A 86 17.708 -3.675 3.117 1.00 3.65 H new ATOM 0 HB3 ALA A 86 16.597 -4.683 2.158 1.00 3.65 H new TER 1277 ALA A 86 HETATM 1278 P24 SXV A 87 -6.738 11.041 1.430 1.00 1.02 P HETATM 1279 O26 SXV A 87 -7.591 12.134 0.743 1.00 1.46 O HETATM 1280 O23 SXV A 87 -7.208 10.491 2.802 1.00 1.45 O HETATM 1281 O27 SXV A 87 -5.282 11.518 1.528 1.00 1.00 O HETATM 1282 C28 SXV A 87 -4.989 12.723 2.294 1.00 1.26 C HETATM 1283 C29 SXV A 87 -3.513 13.105 2.151 1.00 1.33 C HETATM 1284 C30 SXV A 87 -2.701 11.999 2.807 1.00 1.50 C HETATM 1285 C31 SXV A 87 -3.138 13.226 0.662 1.00 1.44 C HETATM 1286 C32 SXV A 87 -3.262 14.483 2.884 1.00 1.82 C HETATM 1287 O33 SXV A 87 -4.261 15.465 2.493 1.00 2.23 O HETATM 1288 C34 SXV A 87 -1.890 15.064 2.557 1.00 2.37 C HETATM 1289 O35 SXV A 87 -0.829 14.459 2.745 1.00 2.83 O HETATM 1290 N36 SXV A 87 -1.959 16.263 2.078 1.00 3.05 N HETATM 1291 C37 SXV A 87 -0.832 17.085 1.669 1.00 4.03 C HETATM 1292 C38 SXV A 87 -1.219 18.020 0.531 1.00 4.86 C HETATM 1293 C39 SXV A 87 -2.315 19.007 0.911 1.00 5.59 C HETATM 1294 O40 SXV A 87 -2.535 19.328 2.096 1.00 5.87 O HETATM 1295 N41 SXV A 87 -2.990 19.474 -0.113 1.00 6.22 N HETATM 1296 C42 SXV A 87 -4.083 20.423 -0.041 1.00 7.18 C HETATM 1297 C43 SXV A 87 -5.133 20.111 -1.087 1.00 7.81 C HETATM 1298 S1 SXV A 87 -6.356 21.401 -1.324 1.00 8.59 S HETATM 1299 C1 SXV A 87 -7.365 20.610 -2.596 1.00 9.00 C HETATM 1300 C2 SXV A 87 -8.509 21.465 -3.079 1.00 9.66 C HETATM 1301 C3 SXV A 87 -9.311 20.786 -4.174 1.00 10.13 C HETATM 1302 O3 SXV A 87 -9.296 21.228 -5.342 1.00 10.24 O HETATM 1303 C4 SXV A 87 -10.126 19.560 -3.810 1.00 10.73 C HETATM 0 HO33 SXV A 87 -4.413 16.089 3.233 1.00 2.23 H new HETATM 0 HN41 SXV A 87 -2.722 19.140 -1.039 1.00 6.22 H new HETATM 0 HN36 SXV A 87 -2.889 16.669 1.978 1.00 3.05 H new HETATM 0 H43A SXV A 87 -4.635 19.922 -2.038 1.00 7.81 H new HETATM 0 H42A SXV A 87 -4.532 20.394 0.952 1.00 7.18 H new HETATM 0 H38A SXV A 87 -0.337 18.573 0.208 1.00 4.86 H new HETATM 0 H37A SXV A 87 -0.477 17.669 2.518 1.00 4.03 H new HETATM 0 H31B SXV A 87 -3.309 12.271 0.165 1.00 1.44 H new HETATM 0 H31A SXV A 87 -3.753 13.995 0.193 1.00 1.44 H new HETATM 0 H30B SXV A 87 -2.978 11.919 3.858 1.00 1.50 H new HETATM 0 H30A SXV A 87 -2.904 11.053 2.306 1.00 1.50 H new HETATM 0 H28A SXV A 87 -5.618 13.543 1.947 1.00 1.26 H new HETATM 0 H4B SXV A 87 -9.464 18.784 -3.425 1.00 10.73 H new HETATM 0 H4A SXV A 87 -10.859 19.824 -3.047 1.00 10.73 H new HETATM 0 H43 SXV A 87 -5.645 19.190 -0.806 1.00 7.81 H new HETATM 0 H42 SXV A 87 -3.704 21.434 -0.190 1.00 7.18 H new HETATM 0 H4 SXV A 87 -10.642 19.190 -4.696 1.00 10.73 H new HETATM 0 H38 SXV A 87 -1.553 17.427 -0.320 1.00 4.86 H new HETATM 0 H37 SXV A 87 -0.007 16.446 1.354 1.00 4.03 H new HETATM 0 H32 SXV A 87 -3.323 14.275 3.952 1.00 1.82 H new HETATM 0 H31 SXV A 87 -2.086 13.498 0.573 1.00 1.44 H new HETATM 0 H30 SXV A 87 -1.639 12.231 2.728 1.00 1.50 H new HETATM 0 H2A SXV A 87 -9.166 21.697 -2.241 1.00 9.66 H new HETATM 0 H28 SXV A 87 -5.228 12.560 3.345 1.00 1.26 H new HETATM 0 H2 SXV A 87 -8.120 22.413 -3.451 1.00 9.66 H new HETATM 0 H1A SXV A 87 -6.730 20.355 -3.444 1.00 9.00 H new HETATM 0 H1 SXV A 87 -7.763 19.675 -2.202 1.00 9.00 H new