USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 615 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 152:sc= -0.501 (180deg=-1.63!) USER MOD Single : A 1 MET N :NH3+ -155:sc= 0.986 (180deg=-0.101!) USER MOD Single : A 2 THR OG1 : rot 141:sc= 1.41 USER MOD Single : A 6 SER OG : rot -120:sc= -0.116 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -42:sc= 0.509 USER MOD Single : A 28 TYR OH : rot 180:sc= -0.022 USER MOD Single : A 29 LYS NZ :NH3+ -115:sc= -0.0987 (180deg=-1.23) USER MOD Single : A 36 SER OG : rot 44:sc= 0.176 USER MOD Single : A 37 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.051) USER MOD Single : A 41 GLN : amide:sc=-0.00369 X(o=-0.0037,f=-0.011) USER MOD Single : A 44 GLN : amide:sc= -0.255 K(o=-0.26,f=-1.8) USER MOD Single : A 49 GLN : amide:sc= 0.227 K(o=0.23,f=-1.5) USER MOD Single : A 54 GLN : amide:sc= -0.181 K(o=-0.18,f=-4.5!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 2:sc= 0.816 USER MOD Single : A 66 CYS SG : rot 50:sc= -3.52! USER MOD Single : A 70 GLN : amide:sc= -0.088 K(o=-0.088,f=-3.1!) USER MOD Single : A 72 SER OG : rot -128:sc= 0.368 USER MOD Single : A 78 SER OG : rot 42:sc= 0.467 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.841 7.404 10.075 1.00 33.54 N ATOM 2 CA MET A 1 -6.472 6.440 8.997 1.00 53.55 C ATOM 3 C MET A 1 -5.181 5.667 9.349 1.00 50.21 C ATOM 4 O MET A 1 -4.557 5.910 10.390 1.00 74.51 O ATOM 5 CB MET A 1 -6.336 7.167 7.626 1.00 4.43 C ATOM 6 CG MET A 1 -5.269 8.265 7.571 1.00 73.55 C ATOM 7 SD MET A 1 -5.648 9.646 8.671 1.00 3.12 S ATOM 8 CE MET A 1 -4.273 10.743 8.325 1.00 75.01 C ATOM 0 H1 MET A 1 -7.864 7.587 10.042 1.00 33.54 H new ATOM 0 H2 MET A 1 -6.591 7.002 11.001 1.00 33.54 H new ATOM 0 H3 MET A 1 -6.325 8.296 9.934 1.00 33.54 H new ATOM 0 HA MET A 1 -7.277 5.710 8.914 1.00 53.55 H new ATOM 0 HB2 MET A 1 -6.110 6.425 6.860 1.00 4.43 H new ATOM 0 HB3 MET A 1 -7.300 7.606 7.369 1.00 4.43 H new ATOM 0 HG2 MET A 1 -4.302 7.842 7.843 1.00 73.55 H new ATOM 0 HG3 MET A 1 -5.181 8.632 6.548 1.00 73.55 H new ATOM 0 HE1 MET A 1 -4.578 11.775 8.500 1.00 75.01 H new ATOM 0 HE2 MET A 1 -3.437 10.496 8.979 1.00 75.01 H new ATOM 0 HE3 MET A 1 -3.967 10.626 7.285 1.00 75.01 H new ATOM 18 N THR A 2 -4.806 4.729 8.468 1.00 54.44 N ATOM 19 CA THR A 2 -3.604 3.881 8.626 1.00 53.30 C ATOM 20 C THR A 2 -2.296 4.646 8.292 1.00 62.34 C ATOM 21 O THR A 2 -2.294 5.639 7.559 1.00 11.25 O ATOM 22 CB THR A 2 -3.704 2.600 7.717 1.00 21.41 C ATOM 23 OG1 THR A 2 -4.349 2.932 6.482 1.00 50.11 O ATOM 24 CG2 THR A 2 -4.462 1.440 8.375 1.00 11.32 C ATOM 0 H THR A 2 -5.330 4.531 7.616 1.00 54.44 H new ATOM 0 HA THR A 2 -3.566 3.587 9.675 1.00 53.30 H new ATOM 0 HB THR A 2 -2.681 2.264 7.549 1.00 21.41 H new ATOM 0 HG1 THR A 2 -3.915 2.451 5.747 1.00 50.11 H new ATOM 0 HG21 THR A 2 -4.492 0.591 7.692 1.00 11.32 H new ATOM 0 HG22 THR A 2 -3.954 1.148 9.294 1.00 11.32 H new ATOM 0 HG23 THR A 2 -5.479 1.755 8.607 1.00 11.32 H new ATOM 32 N ARG A 3 -1.187 4.156 8.867 1.00 11.51 N ATOM 33 CA ARG A 3 0.181 4.620 8.564 1.00 72.00 C ATOM 34 C ARG A 3 1.180 3.462 8.779 1.00 53.51 C ATOM 35 O ARG A 3 1.169 2.812 9.829 1.00 25.32 O ATOM 36 CB ARG A 3 0.592 5.829 9.455 1.00 21.42 C ATOM 37 CG ARG A 3 2.047 6.302 9.213 1.00 35.32 C ATOM 38 CD ARG A 3 2.498 7.450 10.123 1.00 42.02 C ATOM 39 NE ARG A 3 3.917 7.781 9.889 1.00 4.34 N ATOM 40 CZ ARG A 3 4.548 8.830 10.354 1.00 13.05 C ATOM 41 NH1 ARG A 3 3.936 9.744 11.042 1.00 4.25 N ATOM 42 NH2 ARG A 3 5.806 8.963 10.110 1.00 22.11 N ATOM 0 H ARG A 3 -1.213 3.415 9.567 1.00 11.51 H new ATOM 0 HA ARG A 3 0.199 4.946 7.524 1.00 72.00 H new ATOM 0 HB2 ARG A 3 -0.089 6.659 9.266 1.00 21.42 H new ATOM 0 HB3 ARG A 3 0.476 5.555 10.504 1.00 21.42 H new ATOM 0 HG2 ARG A 3 2.720 5.456 9.355 1.00 35.32 H new ATOM 0 HG3 ARG A 3 2.146 6.617 8.174 1.00 35.32 H new ATOM 0 HD2 ARG A 3 1.880 8.329 9.939 1.00 42.02 H new ATOM 0 HD3 ARG A 3 2.353 7.171 11.167 1.00 42.02 H new ATOM 0 HE ARG A 3 4.455 7.134 9.313 1.00 4.34 H new ATOM 0 HH11 ARG A 3 2.938 9.656 11.233 1.00 4.25 H new ATOM 0 HH12 ARG A 3 4.453 10.551 11.392 1.00 4.25 H new ATOM 0 HH21 ARG A 3 6.297 8.257 9.561 1.00 22.11 H new ATOM 0 HH22 ARG A 3 6.311 9.775 10.465 1.00 22.11 H new ATOM 56 N VAL A 4 2.043 3.218 7.777 1.00 55.12 N ATOM 57 CA VAL A 4 3.120 2.196 7.846 1.00 70.21 C ATOM 58 C VAL A 4 4.472 2.834 7.424 1.00 51.43 C ATOM 59 O VAL A 4 4.539 3.559 6.428 1.00 72.10 O ATOM 60 CB VAL A 4 2.788 0.944 6.935 1.00 55.52 C ATOM 61 CG1 VAL A 4 3.946 -0.094 6.927 1.00 23.34 C ATOM 62 CG2 VAL A 4 1.450 0.274 7.366 1.00 14.34 C ATOM 0 H VAL A 4 2.019 3.722 6.891 1.00 55.12 H new ATOM 0 HA VAL A 4 3.194 1.842 8.874 1.00 70.21 H new ATOM 0 HB VAL A 4 2.674 1.314 5.916 1.00 55.52 H new ATOM 0 HG11 VAL A 4 3.676 -0.936 6.290 1.00 23.34 H new ATOM 0 HG12 VAL A 4 4.852 0.375 6.544 1.00 23.34 H new ATOM 0 HG13 VAL A 4 4.123 -0.449 7.942 1.00 23.34 H new ATOM 0 HG21 VAL A 4 1.248 -0.582 6.723 1.00 14.34 H new ATOM 0 HG22 VAL A 4 1.527 -0.060 8.401 1.00 14.34 H new ATOM 0 HG23 VAL A 4 0.637 0.994 7.277 1.00 14.34 H new ATOM 72 N ARG A 5 5.545 2.559 8.193 1.00 70.03 N ATOM 73 CA ARG A 5 6.896 3.100 7.917 1.00 74.54 C ATOM 74 C ARG A 5 7.687 2.156 6.977 1.00 14.14 C ATOM 75 O ARG A 5 7.556 0.932 7.052 1.00 70.42 O ATOM 76 CB ARG A 5 7.687 3.303 9.246 1.00 51.25 C ATOM 77 CG ARG A 5 9.105 3.906 9.065 1.00 72.03 C ATOM 78 CD ARG A 5 9.885 4.052 10.386 1.00 11.35 C ATOM 79 NE ARG A 5 9.267 5.018 11.311 1.00 42.34 N ATOM 80 CZ ARG A 5 9.649 5.233 12.552 1.00 24.20 C ATOM 81 NH1 ARG A 5 10.649 4.592 13.085 1.00 44.35 N ATOM 82 NH2 ARG A 5 9.037 6.126 13.246 1.00 32.12 N ATOM 0 H ARG A 5 5.503 1.960 9.018 1.00 70.03 H new ATOM 0 HA ARG A 5 6.775 4.065 7.424 1.00 74.54 H new ATOM 0 HB2 ARG A 5 7.110 3.955 9.902 1.00 51.25 H new ATOM 0 HB3 ARG A 5 7.777 2.341 9.751 1.00 51.25 H new ATOM 0 HG2 ARG A 5 9.675 3.275 8.384 1.00 72.03 H new ATOM 0 HG3 ARG A 5 9.017 4.885 8.594 1.00 72.03 H new ATOM 0 HD2 ARG A 5 9.950 3.079 10.874 1.00 11.35 H new ATOM 0 HD3 ARG A 5 10.905 4.367 10.167 1.00 11.35 H new ATOM 0 HE ARG A 5 8.480 5.564 10.961 1.00 42.34 H new ATOM 0 HH11 ARG A 5 11.161 3.900 12.538 1.00 44.35 H new ATOM 0 HH12 ARG A 5 10.920 4.782 14.050 1.00 44.35 H new ATOM 0 HH21 ARG A 5 8.269 6.655 12.833 1.00 32.12 H new ATOM 0 HH22 ARG A 5 9.320 6.306 14.209 1.00 32.12 H new ATOM 96 N SER A 6 8.496 2.749 6.093 1.00 21.44 N ATOM 97 CA SER A 6 9.443 2.023 5.223 1.00 44.04 C ATOM 98 C SER A 6 10.867 2.596 5.404 1.00 2.14 C ATOM 99 O SER A 6 11.027 3.755 5.776 1.00 44.24 O ATOM 100 CB SER A 6 9.010 2.146 3.744 1.00 65.33 C ATOM 101 OG SER A 6 9.942 1.519 2.876 1.00 64.05 O ATOM 0 H SER A 6 8.516 3.759 5.956 1.00 21.44 H new ATOM 0 HA SER A 6 9.443 0.970 5.503 1.00 44.04 H new ATOM 0 HB2 SER A 6 8.027 1.693 3.613 1.00 65.33 H new ATOM 0 HB3 SER A 6 8.914 3.199 3.478 1.00 65.33 H new ATOM 0 HG SER A 6 10.302 2.181 2.250 1.00 64.05 H new ATOM 107 N THR A 7 11.890 1.771 5.148 1.00 53.52 N ATOM 108 CA THR A 7 13.310 2.204 5.158 1.00 10.21 C ATOM 109 C THR A 7 13.840 2.405 3.716 1.00 51.45 C ATOM 110 O THR A 7 13.377 1.727 2.788 1.00 5.31 O ATOM 111 CB THR A 7 14.220 1.185 5.939 1.00 34.01 C ATOM 112 OG1 THR A 7 13.834 -0.171 5.644 1.00 0.33 O ATOM 113 CG2 THR A 7 14.185 1.449 7.457 1.00 73.04 C ATOM 0 H THR A 7 11.766 0.783 4.927 1.00 53.52 H new ATOM 0 HA THR A 7 13.353 3.160 5.679 1.00 10.21 H new ATOM 0 HB THR A 7 15.247 1.330 5.604 1.00 34.01 H new ATOM 0 HG1 THR A 7 14.412 -0.790 6.137 1.00 0.33 H new ATOM 0 HG21 THR A 7 14.824 0.728 7.967 1.00 73.04 H new ATOM 0 HG22 THR A 7 14.544 2.458 7.659 1.00 73.04 H new ATOM 0 HG23 THR A 7 13.162 1.348 7.820 1.00 73.04 H new ATOM 121 N PRO A 8 14.831 3.341 3.517 1.00 61.44 N ATOM 122 CA PRO A 8 15.353 3.704 2.172 1.00 64.02 C ATOM 123 C PRO A 8 16.054 2.524 1.430 1.00 75.53 C ATOM 124 O PRO A 8 17.231 2.217 1.666 1.00 40.11 O ATOM 125 CB PRO A 8 16.327 4.881 2.488 1.00 51.45 C ATOM 126 CG PRO A 8 16.765 4.630 3.890 1.00 60.43 C ATOM 127 CD PRO A 8 15.524 4.132 4.586 1.00 31.42 C ATOM 0 HA PRO A 8 14.558 3.975 1.478 1.00 64.02 H new ATOM 0 HB2 PRO A 8 17.174 4.891 1.802 1.00 51.45 H new ATOM 0 HB3 PRO A 8 15.829 5.846 2.394 1.00 51.45 H new ATOM 0 HG2 PRO A 8 17.566 3.892 3.930 1.00 60.43 H new ATOM 0 HG3 PRO A 8 17.145 5.539 4.357 1.00 60.43 H new ATOM 0 HD2 PRO A 8 15.767 3.515 5.451 1.00 31.42 H new ATOM 0 HD3 PRO A 8 14.905 4.954 4.945 1.00 31.42 H new ATOM 135 N GLY A 9 15.287 1.849 0.551 1.00 13.25 N ATOM 136 CA GLY A 9 15.812 0.771 -0.310 1.00 62.51 C ATOM 137 C GLY A 9 15.590 -0.636 0.250 1.00 65.13 C ATOM 138 O GLY A 9 16.462 -1.509 0.128 1.00 63.03 O ATOM 0 H GLY A 9 14.293 2.034 0.418 1.00 13.25 H new ATOM 0 HA2 GLY A 9 15.339 0.840 -1.290 1.00 62.51 H new ATOM 0 HA3 GLY A 9 16.880 0.927 -0.460 1.00 62.51 H new ATOM 142 N GLY A 10 14.417 -0.850 0.867 1.00 1.31 N ATOM 143 CA GLY A 10 14.012 -2.173 1.374 1.00 74.31 C ATOM 144 C GLY A 10 12.584 -2.544 0.970 1.00 71.22 C ATOM 145 O GLY A 10 11.836 -1.689 0.482 1.00 34.01 O ATOM 0 H GLY A 10 13.726 -0.117 1.028 1.00 1.31 H new ATOM 0 HA2 GLY A 10 14.701 -2.929 0.997 1.00 74.31 H new ATOM 0 HA3 GLY A 10 14.092 -2.182 2.461 1.00 74.31 H new ATOM 149 N ASP A 11 12.196 -3.817 1.181 1.00 34.33 N ATOM 150 CA ASP A 11 10.835 -4.303 0.852 1.00 71.12 C ATOM 151 C ASP A 11 9.776 -3.711 1.817 1.00 50.42 C ATOM 152 O ASP A 11 10.019 -3.556 3.013 1.00 4.51 O ATOM 153 CB ASP A 11 10.791 -5.855 0.869 1.00 3.22 C ATOM 154 CG ASP A 11 9.403 -6.432 0.495 1.00 11.03 C ATOM 155 OD1 ASP A 11 8.976 -6.275 -0.669 1.00 14.44 O ATOM 156 OD2 ASP A 11 8.734 -7.039 1.358 1.00 13.34 O ATOM 0 H ASP A 11 12.806 -4.532 1.579 1.00 34.33 H new ATOM 0 HA ASP A 11 10.592 -3.962 -0.154 1.00 71.12 H new ATOM 0 HB2 ASP A 11 11.537 -6.240 0.174 1.00 3.22 H new ATOM 0 HB3 ASP A 11 11.068 -6.209 1.862 1.00 3.22 H new ATOM 161 N LEU A 12 8.614 -3.371 1.258 1.00 41.25 N ATOM 162 CA LEU A 12 7.453 -2.838 2.002 1.00 41.03 C ATOM 163 C LEU A 12 6.330 -3.901 2.039 1.00 34.24 C ATOM 164 O LEU A 12 6.269 -4.753 1.166 1.00 50.51 O ATOM 165 CB LEU A 12 6.948 -1.540 1.303 1.00 22.22 C ATOM 166 CG LEU A 12 5.684 -0.852 1.920 1.00 21.32 C ATOM 167 CD1 LEU A 12 5.956 -0.330 3.355 1.00 52.03 C ATOM 168 CD2 LEU A 12 5.152 0.264 0.988 1.00 34.04 C ATOM 0 H LEU A 12 8.442 -3.457 0.256 1.00 41.25 H new ATOM 0 HA LEU A 12 7.745 -2.601 3.025 1.00 41.03 H new ATOM 0 HB2 LEU A 12 7.763 -0.816 1.302 1.00 22.22 H new ATOM 0 HB3 LEU A 12 6.731 -1.777 0.261 1.00 22.22 H new ATOM 0 HG LEU A 12 4.903 -1.607 2.007 1.00 21.32 H new ATOM 0 HD11 LEU A 12 5.055 0.141 3.748 1.00 52.03 H new ATOM 0 HD12 LEU A 12 6.240 -1.163 3.998 1.00 52.03 H new ATOM 0 HD13 LEU A 12 6.765 0.400 3.329 1.00 52.03 H new ATOM 0 HD21 LEU A 12 4.274 0.727 1.439 1.00 34.04 H new ATOM 0 HD22 LEU A 12 5.926 1.018 0.845 1.00 34.04 H new ATOM 0 HD23 LEU A 12 4.881 -0.166 0.024 1.00 34.04 H new ATOM 180 N GLU A 13 5.482 -3.866 3.079 1.00 22.35 N ATOM 181 CA GLU A 13 4.224 -4.642 3.130 1.00 41.23 C ATOM 182 C GLU A 13 3.140 -3.826 3.867 1.00 62.20 C ATOM 183 O GLU A 13 3.386 -3.291 4.954 1.00 62.24 O ATOM 184 CB GLU A 13 4.426 -6.022 3.817 1.00 42.20 C ATOM 185 CG GLU A 13 3.131 -6.859 3.932 1.00 44.34 C ATOM 186 CD GLU A 13 3.325 -8.254 4.559 1.00 71.02 C ATOM 187 OE1 GLU A 13 3.723 -8.343 5.741 1.00 2.41 O ATOM 188 OE2 GLU A 13 3.072 -9.268 3.875 1.00 35.41 O ATOM 0 H GLU A 13 5.646 -3.299 3.911 1.00 22.35 H new ATOM 0 HA GLU A 13 3.902 -4.834 2.106 1.00 41.23 H new ATOM 0 HB2 GLU A 13 5.167 -6.592 3.256 1.00 42.20 H new ATOM 0 HB3 GLU A 13 4.835 -5.864 4.815 1.00 42.20 H new ATOM 0 HG2 GLU A 13 2.407 -6.304 4.528 1.00 44.34 H new ATOM 0 HG3 GLU A 13 2.701 -6.978 2.938 1.00 44.34 H new ATOM 195 N LEU A 14 1.947 -3.722 3.259 1.00 50.42 N ATOM 196 CA LEU A 14 0.785 -3.044 3.859 1.00 42.31 C ATOM 197 C LEU A 14 -0.268 -4.093 4.246 1.00 13.11 C ATOM 198 O LEU A 14 -0.947 -4.658 3.378 1.00 21.12 O ATOM 199 CB LEU A 14 0.200 -1.997 2.870 1.00 1.03 C ATOM 200 CG LEU A 14 1.197 -0.892 2.384 1.00 14.50 C ATOM 201 CD1 LEU A 14 0.497 0.163 1.509 1.00 33.12 C ATOM 202 CD2 LEU A 14 1.937 -0.234 3.568 1.00 12.25 C ATOM 0 H LEU A 14 1.760 -4.107 2.333 1.00 50.42 H new ATOM 0 HA LEU A 14 1.095 -2.511 4.758 1.00 42.31 H new ATOM 0 HB2 LEU A 14 -0.184 -2.524 1.996 1.00 1.03 H new ATOM 0 HB3 LEU A 14 -0.650 -1.509 3.347 1.00 1.03 H new ATOM 0 HG LEU A 14 1.944 -1.387 1.763 1.00 14.50 H new ATOM 0 HD11 LEU A 14 1.222 0.912 1.192 1.00 33.12 H new ATOM 0 HD12 LEU A 14 0.067 -0.320 0.632 1.00 33.12 H new ATOM 0 HD13 LEU A 14 -0.295 0.645 2.083 1.00 33.12 H new ATOM 0 HD21 LEU A 14 2.620 0.528 3.192 1.00 12.25 H new ATOM 0 HD22 LEU A 14 1.212 0.228 4.239 1.00 12.25 H new ATOM 0 HD23 LEU A 14 2.502 -0.992 4.111 1.00 12.25 H new ATOM 214 N VAL A 15 -0.373 -4.358 5.555 1.00 0.22 N ATOM 215 CA VAL A 15 -1.309 -5.348 6.110 1.00 63.43 C ATOM 216 C VAL A 15 -2.655 -4.660 6.414 1.00 50.21 C ATOM 217 O VAL A 15 -2.717 -3.693 7.186 1.00 24.43 O ATOM 218 CB VAL A 15 -0.729 -6.019 7.409 1.00 53.30 C ATOM 219 CG1 VAL A 15 -1.686 -7.111 7.958 1.00 65.31 C ATOM 220 CG2 VAL A 15 0.693 -6.587 7.146 1.00 14.04 C ATOM 0 H VAL A 15 0.192 -3.890 6.264 1.00 0.22 H new ATOM 0 HA VAL A 15 -1.460 -6.138 5.374 1.00 63.43 H new ATOM 0 HB VAL A 15 -0.645 -5.250 8.177 1.00 53.30 H new ATOM 0 HG11 VAL A 15 -1.255 -7.555 8.856 1.00 65.31 H new ATOM 0 HG12 VAL A 15 -2.649 -6.662 8.201 1.00 65.31 H new ATOM 0 HG13 VAL A 15 -1.827 -7.884 7.203 1.00 65.31 H new ATOM 0 HG21 VAL A 15 1.076 -7.047 8.057 1.00 14.04 H new ATOM 0 HG22 VAL A 15 0.645 -7.335 6.355 1.00 14.04 H new ATOM 0 HG23 VAL A 15 1.357 -5.778 6.841 1.00 14.04 H new ATOM 230 N VAL A 16 -3.720 -5.158 5.777 1.00 42.03 N ATOM 231 CA VAL A 16 -5.060 -4.542 5.809 1.00 40.12 C ATOM 232 C VAL A 16 -6.051 -5.358 6.670 1.00 61.41 C ATOM 233 O VAL A 16 -6.143 -6.579 6.532 1.00 33.24 O ATOM 234 CB VAL A 16 -5.596 -4.413 4.342 1.00 33.55 C ATOM 235 CG1 VAL A 16 -7.009 -3.822 4.268 1.00 70.33 C ATOM 236 CG2 VAL A 16 -4.615 -3.600 3.475 1.00 73.40 C ATOM 0 H VAL A 16 -3.680 -6.010 5.217 1.00 42.03 H new ATOM 0 HA VAL A 16 -4.975 -3.556 6.267 1.00 40.12 H new ATOM 0 HB VAL A 16 -5.666 -5.426 3.945 1.00 33.55 H new ATOM 0 HG11 VAL A 16 -7.323 -3.759 3.226 1.00 70.33 H new ATOM 0 HG12 VAL A 16 -7.700 -4.462 4.817 1.00 70.33 H new ATOM 0 HG13 VAL A 16 -7.010 -2.825 4.708 1.00 70.33 H new ATOM 0 HG21 VAL A 16 -5.005 -3.522 2.460 1.00 73.40 H new ATOM 0 HG22 VAL A 16 -4.498 -2.602 3.897 1.00 73.40 H new ATOM 0 HG23 VAL A 16 -3.647 -4.101 3.454 1.00 73.40 H new ATOM 246 N HIS A 17 -6.770 -4.657 7.575 1.00 23.40 N ATOM 247 CA HIS A 17 -7.873 -5.226 8.384 1.00 0.24 C ATOM 248 C HIS A 17 -9.013 -4.186 8.577 1.00 64.00 C ATOM 249 O HIS A 17 -9.705 -4.200 9.603 1.00 63.14 O ATOM 250 CB HIS A 17 -7.339 -5.739 9.757 1.00 52.05 C ATOM 251 CG HIS A 17 -6.519 -7.002 9.668 1.00 52.44 C ATOM 252 ND1 HIS A 17 -5.166 -7.061 9.938 1.00 43.20 N ATOM 253 CD2 HIS A 17 -6.878 -8.261 9.318 1.00 13.13 C ATOM 254 CE1 HIS A 17 -4.738 -8.291 9.757 1.00 34.14 C ATOM 255 NE2 HIS A 17 -5.753 -9.038 9.383 1.00 13.22 N ATOM 0 H HIS A 17 -6.600 -3.670 7.767 1.00 23.40 H new ATOM 0 HA HIS A 17 -8.289 -6.077 7.845 1.00 0.24 H new ATOM 0 HB2 HIS A 17 -6.733 -4.957 10.214 1.00 52.05 H new ATOM 0 HB3 HIS A 17 -8.185 -5.915 10.421 1.00 52.05 H new ATOM 0 HD2 HIS A 17 -7.868 -8.590 9.039 1.00 13.13 H new ATOM 0 HE1 HIS A 17 -3.722 -8.631 9.893 1.00 34.14 H new ATOM 0 HE2 HIS A 17 -5.709 -10.036 9.175 1.00 13.22 H new ATOM 264 N LEU A 18 -9.210 -3.292 7.575 1.00 5.32 N ATOM 265 CA LEU A 18 -10.405 -2.395 7.510 1.00 34.21 C ATOM 266 C LEU A 18 -11.750 -3.179 7.504 1.00 14.52 C ATOM 267 O LEU A 18 -11.782 -4.390 7.262 1.00 72.12 O ATOM 268 CB LEU A 18 -10.313 -1.414 6.288 1.00 32.53 C ATOM 269 CG LEU A 18 -9.866 -1.976 4.886 1.00 33.22 C ATOM 270 CD1 LEU A 18 -10.758 -3.110 4.333 1.00 61.40 C ATOM 271 CD2 LEU A 18 -9.737 -0.841 3.846 1.00 35.21 C ATOM 0 H LEU A 18 -8.560 -3.169 6.799 1.00 5.32 H new ATOM 0 HA LEU A 18 -10.397 -1.803 8.425 1.00 34.21 H new ATOM 0 HB2 LEU A 18 -11.293 -0.955 6.161 1.00 32.53 H new ATOM 0 HB3 LEU A 18 -9.621 -0.617 6.558 1.00 32.53 H new ATOM 0 HG LEU A 18 -8.889 -2.425 5.063 1.00 33.22 H new ATOM 0 HD11 LEU A 18 -10.376 -3.435 3.365 1.00 61.40 H new ATOM 0 HD12 LEU A 18 -10.750 -3.950 5.027 1.00 61.40 H new ATOM 0 HD13 LEU A 18 -11.779 -2.746 4.216 1.00 61.40 H new ATOM 0 HD21 LEU A 18 -9.427 -1.259 2.888 1.00 35.21 H new ATOM 0 HD22 LEU A 18 -10.699 -0.342 3.730 1.00 35.21 H new ATOM 0 HD23 LEU A 18 -8.993 -0.120 4.185 1.00 35.21 H new ATOM 283 N SER A 19 -12.864 -2.454 7.695 1.00 64.20 N ATOM 284 CA SER A 19 -14.215 -3.061 7.823 1.00 52.13 C ATOM 285 C SER A 19 -14.903 -3.200 6.433 1.00 71.41 C ATOM 286 O SER A 19 -16.129 -3.143 6.329 1.00 41.13 O ATOM 287 CB SER A 19 -15.067 -2.200 8.801 1.00 10.43 C ATOM 288 OG SER A 19 -16.329 -2.790 9.080 1.00 10.45 O ATOM 0 H SER A 19 -12.863 -1.436 7.766 1.00 64.20 H new ATOM 0 HA SER A 19 -14.122 -4.069 8.228 1.00 52.13 H new ATOM 0 HB2 SER A 19 -14.519 -2.063 9.733 1.00 10.43 H new ATOM 0 HB3 SER A 19 -15.218 -1.210 8.372 1.00 10.43 H new ATOM 0 HG SER A 19 -16.710 -3.153 8.253 1.00 10.45 H new ATOM 294 N GLY A 20 -14.092 -3.424 5.371 1.00 75.25 N ATOM 295 CA GLY A 20 -14.593 -3.647 4.001 1.00 4.11 C ATOM 296 C GLY A 20 -14.271 -5.058 3.473 1.00 23.33 C ATOM 297 O GLY A 20 -13.304 -5.217 2.714 1.00 44.33 O ATOM 0 H GLY A 20 -13.075 -3.454 5.444 1.00 75.25 H new ATOM 0 HA2 GLY A 20 -15.672 -3.495 3.984 1.00 4.11 H new ATOM 0 HA3 GLY A 20 -14.156 -2.905 3.333 1.00 4.11 H new ATOM 301 N PRO A 21 -15.066 -6.121 3.855 1.00 11.01 N ATOM 302 CA PRO A 21 -14.819 -7.524 3.421 1.00 51.43 C ATOM 303 C PRO A 21 -15.315 -7.822 1.979 1.00 25.35 C ATOM 304 O PRO A 21 -15.935 -6.968 1.330 1.00 1.43 O ATOM 305 CB PRO A 21 -15.591 -8.374 4.488 1.00 12.12 C ATOM 306 CG PRO A 21 -16.155 -7.379 5.475 1.00 53.54 C ATOM 307 CD PRO A 21 -16.257 -6.066 4.734 1.00 53.53 C ATOM 0 HA PRO A 21 -13.754 -7.751 3.373 1.00 51.43 H new ATOM 0 HB2 PRO A 21 -16.386 -8.957 4.023 1.00 12.12 H new ATOM 0 HB3 PRO A 21 -14.924 -9.081 4.982 1.00 12.12 H new ATOM 0 HG2 PRO A 21 -17.132 -7.700 5.836 1.00 53.54 H new ATOM 0 HG3 PRO A 21 -15.508 -7.285 6.347 1.00 53.54 H new ATOM 0 HD2 PRO A 21 -17.183 -5.989 4.164 1.00 53.53 H new ATOM 0 HD3 PRO A 21 -16.227 -5.212 5.410 1.00 53.53 H new ATOM 315 N GLY A 22 -15.030 -9.050 1.493 1.00 72.50 N ATOM 316 CA GLY A 22 -15.435 -9.488 0.143 1.00 64.23 C ATOM 317 C GLY A 22 -14.608 -8.833 -0.975 1.00 25.23 C ATOM 318 O GLY A 22 -13.612 -9.406 -1.435 1.00 53.42 O ATOM 0 H GLY A 22 -14.518 -9.757 2.020 1.00 72.50 H new ATOM 0 HA2 GLY A 22 -15.336 -10.571 0.074 1.00 64.23 H new ATOM 0 HA3 GLY A 22 -16.489 -9.254 -0.008 1.00 64.23 H new ATOM 322 N GLY A 23 -15.014 -7.618 -1.396 1.00 13.41 N ATOM 323 CA GLY A 23 -14.317 -6.866 -2.456 1.00 50.23 C ATOM 324 C GLY A 23 -15.221 -6.485 -3.643 1.00 51.02 C ATOM 325 O GLY A 23 -16.448 -6.493 -3.498 1.00 52.23 O ATOM 0 H GLY A 23 -15.827 -7.135 -1.014 1.00 13.41 H new ATOM 0 HA2 GLY A 23 -13.894 -5.958 -2.027 1.00 50.23 H new ATOM 0 HA3 GLY A 23 -13.482 -7.463 -2.824 1.00 50.23 H new ATOM 329 N PRO A 24 -14.656 -6.126 -4.848 1.00 42.43 N ATOM 330 CA PRO A 24 -13.188 -6.049 -5.095 1.00 31.11 C ATOM 331 C PRO A 24 -12.526 -4.763 -4.506 1.00 32.33 C ATOM 332 O PRO A 24 -12.848 -3.632 -4.898 1.00 63.41 O ATOM 333 CB PRO A 24 -13.106 -6.090 -6.642 1.00 61.43 C ATOM 334 CG PRO A 24 -14.372 -5.427 -7.102 1.00 32.24 C ATOM 335 CD PRO A 24 -15.434 -5.787 -6.074 1.00 63.34 C ATOM 0 HA PRO A 24 -12.640 -6.853 -4.604 1.00 31.11 H new ATOM 0 HB2 PRO A 24 -12.226 -5.561 -7.007 1.00 61.43 H new ATOM 0 HB3 PRO A 24 -13.038 -7.114 -7.009 1.00 61.43 H new ATOM 0 HG2 PRO A 24 -14.244 -4.347 -7.168 1.00 32.24 H new ATOM 0 HG3 PRO A 24 -14.656 -5.776 -8.095 1.00 32.24 H new ATOM 0 HD2 PRO A 24 -16.115 -4.954 -5.896 1.00 63.34 H new ATOM 0 HD3 PRO A 24 -16.041 -6.629 -6.406 1.00 63.34 H new ATOM 343 N VAL A 25 -11.618 -4.965 -3.532 1.00 71.25 N ATOM 344 CA VAL A 25 -10.860 -3.869 -2.898 1.00 70.53 C ATOM 345 C VAL A 25 -9.647 -3.495 -3.784 1.00 25.13 C ATOM 346 O VAL A 25 -8.818 -4.355 -4.113 1.00 55.43 O ATOM 347 CB VAL A 25 -10.358 -4.261 -1.458 1.00 63.31 C ATOM 348 CG1 VAL A 25 -9.636 -3.069 -0.779 1.00 45.21 C ATOM 349 CG2 VAL A 25 -11.516 -4.801 -0.575 1.00 4.45 C ATOM 0 H VAL A 25 -11.390 -5.888 -3.164 1.00 71.25 H new ATOM 0 HA VAL A 25 -11.530 -3.015 -2.798 1.00 70.53 H new ATOM 0 HB VAL A 25 -9.636 -5.070 -1.569 1.00 63.31 H new ATOM 0 HG11 VAL A 25 -9.299 -3.366 0.214 1.00 45.21 H new ATOM 0 HG12 VAL A 25 -8.776 -2.774 -1.381 1.00 45.21 H new ATOM 0 HG13 VAL A 25 -10.324 -2.228 -0.692 1.00 45.21 H new ATOM 0 HG21 VAL A 25 -11.131 -5.061 0.411 1.00 4.45 H new ATOM 0 HG22 VAL A 25 -12.284 -4.035 -0.474 1.00 4.45 H new ATOM 0 HG23 VAL A 25 -11.947 -5.687 -1.042 1.00 4.45 H new ATOM 359 N ARG A 26 -9.563 -2.217 -4.180 1.00 0.04 N ATOM 360 CA ARG A 26 -8.491 -1.710 -5.067 1.00 4.53 C ATOM 361 C ARG A 26 -7.432 -0.907 -4.285 1.00 23.35 C ATOM 362 O ARG A 26 -7.679 -0.443 -3.179 1.00 51.22 O ATOM 363 CB ARG A 26 -9.109 -0.835 -6.190 1.00 51.10 C ATOM 364 CG ARG A 26 -10.009 -1.613 -7.176 1.00 41.44 C ATOM 365 CD ARG A 26 -10.590 -0.713 -8.278 1.00 41.33 C ATOM 366 NE ARG A 26 -11.284 -1.484 -9.320 1.00 23.15 N ATOM 367 CZ ARG A 26 -11.709 -1.006 -10.467 1.00 34.21 C ATOM 368 NH1 ARG A 26 -11.609 0.258 -10.755 1.00 32.15 N ATOM 369 NH2 ARG A 26 -12.236 -1.811 -11.322 1.00 52.50 N ATOM 0 H ARG A 26 -10.233 -1.501 -3.898 1.00 0.04 H new ATOM 0 HA ARG A 26 -7.987 -2.569 -5.510 1.00 4.53 H new ATOM 0 HB2 ARG A 26 -9.695 -0.037 -5.733 1.00 51.10 H new ATOM 0 HB3 ARG A 26 -8.303 -0.359 -6.749 1.00 51.10 H new ATOM 0 HG2 ARG A 26 -9.431 -2.416 -7.634 1.00 41.44 H new ATOM 0 HG3 ARG A 26 -10.825 -2.081 -6.626 1.00 41.44 H new ATOM 0 HD2 ARG A 26 -11.284 -0.000 -7.833 1.00 41.33 H new ATOM 0 HD3 ARG A 26 -9.786 -0.134 -8.732 1.00 41.33 H new ATOM 0 HE ARG A 26 -11.449 -2.474 -9.137 1.00 23.15 H new ATOM 0 HH11 ARG A 26 -11.193 0.903 -10.083 1.00 32.15 H new ATOM 0 HH12 ARG A 26 -11.947 0.605 -11.653 1.00 32.15 H new ATOM 0 HH21 ARG A 26 -12.319 -2.804 -11.104 1.00 52.50 H new ATOM 0 HH22 ARG A 26 -12.571 -1.456 -12.218 1.00 52.50 H new ATOM 383 N TRP A 27 -6.241 -0.771 -4.885 1.00 53.31 N ATOM 384 CA TRP A 27 -5.143 0.071 -4.361 1.00 23.21 C ATOM 385 C TRP A 27 -4.850 1.226 -5.330 1.00 33.11 C ATOM 386 O TRP A 27 -4.826 1.009 -6.537 1.00 62.43 O ATOM 387 CB TRP A 27 -3.859 -0.774 -4.161 1.00 33.33 C ATOM 388 CG TRP A 27 -3.891 -1.660 -2.949 1.00 31.12 C ATOM 389 CD1 TRP A 27 -4.228 -2.986 -2.883 1.00 34.34 C ATOM 390 CD2 TRP A 27 -3.572 -1.259 -1.615 1.00 3.22 C ATOM 391 NE1 TRP A 27 -4.106 -3.431 -1.594 1.00 72.15 N ATOM 392 CE2 TRP A 27 -3.713 -2.387 -0.799 1.00 2.43 C ATOM 393 CE3 TRP A 27 -3.172 -0.048 -1.036 1.00 62.20 C ATOM 394 CZ2 TRP A 27 -3.465 -2.348 0.559 1.00 32.45 C ATOM 395 CZ3 TRP A 27 -2.930 -0.010 0.321 1.00 20.34 C ATOM 396 CH2 TRP A 27 -3.074 -1.156 1.106 1.00 63.43 C ATOM 0 H TRP A 27 -6.005 -1.245 -5.757 1.00 53.31 H new ATOM 0 HA TRP A 27 -5.454 0.478 -3.399 1.00 23.21 H new ATOM 0 HB2 TRP A 27 -3.702 -1.392 -5.045 1.00 33.33 H new ATOM 0 HB3 TRP A 27 -3.003 -0.103 -4.085 1.00 33.33 H new ATOM 0 HD1 TRP A 27 -4.543 -3.590 -3.722 1.00 34.34 H new ATOM 0 HE1 TRP A 27 -4.280 -4.385 -1.277 1.00 72.15 H new ATOM 0 HE3 TRP A 27 -3.055 0.839 -1.641 1.00 62.20 H new ATOM 0 HZ2 TRP A 27 -3.576 -3.231 1.171 1.00 32.45 H new ATOM 0 HZ3 TRP A 27 -2.625 0.918 0.783 1.00 20.34 H new ATOM 0 HH2 TRP A 27 -2.873 -1.100 2.166 1.00 63.43 H new ATOM 407 N TYR A 28 -4.632 2.447 -4.793 1.00 3.23 N ATOM 408 CA TYR A 28 -4.239 3.636 -5.596 1.00 31.00 C ATOM 409 C TYR A 28 -3.092 4.413 -4.904 1.00 12.03 C ATOM 410 O TYR A 28 -3.252 4.884 -3.788 1.00 64.02 O ATOM 411 CB TYR A 28 -5.458 4.585 -5.790 1.00 14.44 C ATOM 412 CG TYR A 28 -6.630 3.984 -6.591 1.00 54.44 C ATOM 413 CD1 TYR A 28 -6.674 4.081 -7.984 1.00 21.13 C ATOM 414 CD2 TYR A 28 -7.696 3.333 -5.953 1.00 0.40 C ATOM 415 CE1 TYR A 28 -7.720 3.552 -8.710 1.00 45.02 C ATOM 416 CE2 TYR A 28 -8.743 2.799 -6.683 1.00 5.12 C ATOM 417 CZ TYR A 28 -8.753 2.916 -8.058 1.00 32.34 C ATOM 418 OH TYR A 28 -9.792 2.386 -8.788 1.00 11.52 O ATOM 0 H TYR A 28 -4.722 2.640 -3.795 1.00 3.23 H new ATOM 0 HA TYR A 28 -3.893 3.284 -6.568 1.00 31.00 H new ATOM 0 HB2 TYR A 28 -5.825 4.886 -4.809 1.00 14.44 H new ATOM 0 HB3 TYR A 28 -5.119 5.490 -6.295 1.00 14.44 H new ATOM 0 HD1 TYR A 28 -5.871 4.582 -8.504 1.00 21.13 H new ATOM 0 HD2 TYR A 28 -7.700 3.247 -4.876 1.00 0.40 H new ATOM 0 HE1 TYR A 28 -7.729 3.636 -9.787 1.00 45.02 H new ATOM 0 HE2 TYR A 28 -9.551 2.291 -6.178 1.00 5.12 H new ATOM 0 HH TYR A 28 -10.440 1.970 -8.181 1.00 11.52 H new ATOM 428 N LYS A 29 -1.962 4.609 -5.603 1.00 53.41 N ATOM 429 CA LYS A 29 -0.818 5.391 -5.088 1.00 30.41 C ATOM 430 C LYS A 29 -0.781 6.788 -5.747 1.00 62.21 C ATOM 431 O LYS A 29 -0.564 6.920 -6.957 1.00 72.25 O ATOM 432 CB LYS A 29 0.515 4.619 -5.311 1.00 72.32 C ATOM 433 CG LYS A 29 1.817 5.441 -5.109 1.00 51.42 C ATOM 434 CD LYS A 29 1.897 6.169 -3.741 1.00 21.45 C ATOM 435 CE LYS A 29 3.239 6.889 -3.540 1.00 11.01 C ATOM 436 NZ LYS A 29 3.504 7.908 -4.589 1.00 31.43 N ATOM 0 H LYS A 29 -1.813 4.232 -6.539 1.00 53.41 H new ATOM 0 HA LYS A 29 -0.943 5.532 -4.014 1.00 30.41 H new ATOM 0 HB2 LYS A 29 0.537 3.767 -4.631 1.00 72.32 H new ATOM 0 HB3 LYS A 29 0.515 4.218 -6.325 1.00 72.32 H new ATOM 0 HG2 LYS A 29 2.674 4.774 -5.205 1.00 51.42 H new ATOM 0 HG3 LYS A 29 1.896 6.179 -5.907 1.00 51.42 H new ATOM 0 HD2 LYS A 29 1.085 6.893 -3.669 1.00 21.45 H new ATOM 0 HD3 LYS A 29 1.752 5.446 -2.938 1.00 21.45 H new ATOM 0 HE2 LYS A 29 3.246 7.370 -2.562 1.00 11.01 H new ATOM 0 HE3 LYS A 29 4.045 6.155 -3.540 1.00 11.01 H new ATOM 0 HZ1 LYS A 29 4.332 7.622 -5.150 1.00 31.43 H new ATOM 0 HZ2 LYS A 29 2.675 7.989 -5.212 1.00 31.43 H new ATOM 0 HZ3 LYS A 29 3.691 8.828 -4.140 1.00 31.43 H new ATOM 450 N ASP A 30 -1.034 7.810 -4.899 1.00 72.23 N ATOM 451 CA ASP A 30 -1.007 9.257 -5.238 1.00 35.22 C ATOM 452 C ASP A 30 -1.935 9.687 -6.434 1.00 2.24 C ATOM 453 O ASP A 30 -1.978 10.873 -6.788 1.00 50.33 O ATOM 454 CB ASP A 30 0.473 9.704 -5.446 1.00 63.03 C ATOM 455 CG ASP A 30 0.675 11.229 -5.404 1.00 41.14 C ATOM 456 OD1 ASP A 30 0.430 11.835 -4.338 1.00 70.11 O ATOM 457 OD2 ASP A 30 1.070 11.834 -6.424 1.00 74.03 O ATOM 0 H ASP A 30 -1.272 7.647 -3.921 1.00 72.23 H new ATOM 0 HA ASP A 30 -1.442 9.785 -4.389 1.00 35.22 H new ATOM 0 HB2 ASP A 30 1.093 9.244 -4.677 1.00 63.03 H new ATOM 0 HB3 ASP A 30 0.825 9.327 -6.406 1.00 63.03 H new ATOM 462 N GLY A 31 -2.721 8.755 -7.016 1.00 32.21 N ATOM 463 CA GLY A 31 -3.554 9.068 -8.200 1.00 1.41 C ATOM 464 C GLY A 31 -3.741 7.901 -9.181 1.00 64.45 C ATOM 465 O GLY A 31 -4.743 7.866 -9.907 1.00 41.25 O ATOM 0 H GLY A 31 -2.797 7.791 -6.691 1.00 32.21 H new ATOM 0 HA2 GLY A 31 -4.535 9.399 -7.860 1.00 1.41 H new ATOM 0 HA3 GLY A 31 -3.103 9.904 -8.734 1.00 1.41 H new ATOM 469 N GLU A 32 -2.776 6.955 -9.246 1.00 32.12 N ATOM 470 CA GLU A 32 -2.896 5.765 -10.140 1.00 3.20 C ATOM 471 C GLU A 32 -3.026 4.470 -9.337 1.00 10.01 C ATOM 472 O GLU A 32 -2.437 4.343 -8.285 1.00 12.14 O ATOM 473 CB GLU A 32 -1.681 5.626 -11.100 1.00 65.12 C ATOM 474 CG GLU A 32 -1.849 4.513 -12.175 1.00 53.20 C ATOM 475 CD GLU A 32 -2.811 4.905 -13.321 1.00 2.32 C ATOM 476 OE1 GLU A 32 -4.025 5.072 -13.068 1.00 30.12 O ATOM 477 OE2 GLU A 32 -2.361 5.051 -14.473 1.00 3.25 O ATOM 0 H GLU A 32 -1.914 6.985 -8.701 1.00 32.12 H new ATOM 0 HA GLU A 32 -3.799 5.927 -10.729 1.00 3.20 H new ATOM 0 HB2 GLU A 32 -1.516 6.580 -11.602 1.00 65.12 H new ATOM 0 HB3 GLU A 32 -0.788 5.417 -10.511 1.00 65.12 H new ATOM 0 HG2 GLU A 32 -0.872 4.275 -12.596 1.00 53.20 H new ATOM 0 HG3 GLU A 32 -2.218 3.607 -11.694 1.00 53.20 H new ATOM 484 N ARG A 33 -3.777 3.499 -9.877 1.00 52.25 N ATOM 485 CA ARG A 33 -3.920 2.164 -9.272 1.00 0.21 C ATOM 486 C ARG A 33 -2.618 1.333 -9.343 1.00 35.33 C ATOM 487 O ARG A 33 -1.786 1.520 -10.240 1.00 75.33 O ATOM 488 CB ARG A 33 -5.077 1.346 -9.915 1.00 34.42 C ATOM 489 CG ARG A 33 -4.879 0.915 -11.393 1.00 2.42 C ATOM 490 CD ARG A 33 -5.211 2.032 -12.388 1.00 63.35 C ATOM 491 NE ARG A 33 -4.938 1.659 -13.787 1.00 11.54 N ATOM 492 CZ ARG A 33 -5.235 2.386 -14.839 1.00 42.15 C ATOM 493 NH1 ARG A 33 -5.882 3.506 -14.732 1.00 61.33 N ATOM 494 NH2 ARG A 33 -4.876 1.990 -16.008 1.00 15.13 N ATOM 0 H ARG A 33 -4.302 3.615 -10.744 1.00 52.25 H new ATOM 0 HA ARG A 33 -4.155 2.353 -8.225 1.00 0.21 H new ATOM 0 HB2 ARG A 33 -5.235 0.449 -9.316 1.00 34.42 H new ATOM 0 HB3 ARG A 33 -5.990 1.938 -9.851 1.00 34.42 H new ATOM 0 HG2 ARG A 33 -3.846 0.600 -11.539 1.00 2.42 H new ATOM 0 HG3 ARG A 33 -5.509 0.050 -11.602 1.00 2.42 H new ATOM 0 HD2 ARG A 33 -6.263 2.299 -12.288 1.00 63.35 H new ATOM 0 HD3 ARG A 33 -4.632 2.920 -12.135 1.00 63.35 H new ATOM 0 HE ARG A 33 -4.481 0.762 -13.952 1.00 11.54 H new ATOM 0 HH11 ARG A 33 -6.173 3.841 -13.814 1.00 61.33 H new ATOM 0 HH12 ARG A 33 -6.100 4.051 -15.566 1.00 61.33 H new ATOM 0 HH21 ARG A 33 -4.363 1.115 -16.115 1.00 15.13 H new ATOM 0 HH22 ARG A 33 -5.104 2.551 -16.829 1.00 15.13 H new ATOM 508 N LEU A 34 -2.472 0.406 -8.380 1.00 24.31 N ATOM 509 CA LEU A 34 -1.378 -0.594 -8.370 1.00 4.53 C ATOM 510 C LEU A 34 -1.824 -1.865 -9.113 1.00 2.43 C ATOM 511 O LEU A 34 -3.019 -2.180 -9.193 1.00 32.12 O ATOM 512 CB LEU A 34 -0.920 -0.981 -6.922 1.00 34.24 C ATOM 513 CG LEU A 34 -0.159 0.103 -6.098 1.00 20.24 C ATOM 514 CD1 LEU A 34 1.144 0.526 -6.806 1.00 43.23 C ATOM 515 CD2 LEU A 34 -1.055 1.308 -5.786 1.00 22.05 C ATOM 0 H LEU A 34 -3.106 0.325 -7.585 1.00 24.31 H new ATOM 0 HA LEU A 34 -0.527 -0.133 -8.872 1.00 4.53 H new ATOM 0 HB2 LEU A 34 -1.804 -1.276 -6.356 1.00 34.24 H new ATOM 0 HB3 LEU A 34 -0.280 -1.860 -6.994 1.00 34.24 H new ATOM 0 HG LEU A 34 0.118 -0.342 -5.142 1.00 20.24 H new ATOM 0 HD11 LEU A 34 1.653 1.282 -6.209 1.00 43.23 H new ATOM 0 HD12 LEU A 34 1.793 -0.342 -6.923 1.00 43.23 H new ATOM 0 HD13 LEU A 34 0.908 0.937 -7.788 1.00 43.23 H new ATOM 0 HD21 LEU A 34 -0.490 2.042 -5.211 1.00 22.05 H new ATOM 0 HD22 LEU A 34 -1.394 1.760 -6.718 1.00 22.05 H new ATOM 0 HD23 LEU A 34 -1.918 0.979 -5.207 1.00 22.05 H new ATOM 527 N ALA A 35 -0.838 -2.591 -9.626 1.00 12.30 N ATOM 528 CA ALA A 35 -1.035 -3.839 -10.377 1.00 21.52 C ATOM 529 C ALA A 35 0.160 -4.766 -10.112 1.00 24.25 C ATOM 530 O ALA A 35 1.305 -4.343 -10.282 1.00 33.31 O ATOM 531 CB ALA A 35 -1.186 -3.525 -11.874 1.00 33.31 C ATOM 0 H ALA A 35 0.143 -2.329 -9.533 1.00 12.30 H new ATOM 0 HA ALA A 35 -1.946 -4.342 -10.052 1.00 21.52 H new ATOM 0 HB1 ALA A 35 -1.332 -4.453 -12.427 1.00 33.31 H new ATOM 0 HB2 ALA A 35 -2.047 -2.874 -12.024 1.00 33.31 H new ATOM 0 HB3 ALA A 35 -0.286 -3.026 -12.234 1.00 33.31 H new ATOM 537 N SER A 36 -0.119 -6.008 -9.659 1.00 41.43 N ATOM 538 CA SER A 36 0.918 -6.980 -9.221 1.00 31.50 C ATOM 539 C SER A 36 1.991 -7.244 -10.317 1.00 1.14 C ATOM 540 O SER A 36 1.767 -8.026 -11.250 1.00 13.04 O ATOM 541 CB SER A 36 0.254 -8.302 -8.759 1.00 61.34 C ATOM 542 OG SER A 36 -0.609 -8.836 -9.753 1.00 73.23 O ATOM 0 H SER A 36 -1.070 -6.369 -9.585 1.00 41.43 H new ATOM 0 HA SER A 36 1.444 -6.535 -8.376 1.00 31.50 H new ATOM 0 HB2 SER A 36 1.027 -9.032 -8.519 1.00 61.34 H new ATOM 0 HB3 SER A 36 -0.312 -8.124 -7.844 1.00 61.34 H new ATOM 0 HG SER A 36 -0.173 -8.779 -10.629 1.00 73.23 H new ATOM 548 N GLN A 37 3.155 -6.569 -10.175 1.00 31.44 N ATOM 549 CA GLN A 37 4.214 -6.543 -11.207 1.00 13.00 C ATOM 550 C GLN A 37 5.584 -6.146 -10.608 1.00 72.13 C ATOM 551 O GLN A 37 5.746 -5.016 -10.129 1.00 2.31 O ATOM 552 CB GLN A 37 3.816 -5.534 -12.322 1.00 4.32 C ATOM 553 CG GLN A 37 4.756 -5.479 -13.545 1.00 21.53 C ATOM 554 CD GLN A 37 4.953 -6.834 -14.229 1.00 72.43 C ATOM 555 OE1 GLN A 37 4.194 -7.213 -15.107 1.00 22.14 O ATOM 556 NE2 GLN A 37 5.984 -7.564 -13.842 1.00 51.20 N ATOM 0 H GLN A 37 3.385 -6.028 -9.342 1.00 31.44 H new ATOM 0 HA GLN A 37 4.312 -7.546 -11.623 1.00 13.00 H new ATOM 0 HB2 GLN A 37 2.813 -5.782 -12.669 1.00 4.32 H new ATOM 0 HB3 GLN A 37 3.764 -4.538 -11.883 1.00 4.32 H new ATOM 0 HG2 GLN A 37 4.354 -4.771 -14.270 1.00 21.53 H new ATOM 0 HG3 GLN A 37 5.727 -5.096 -13.230 1.00 21.53 H new ATOM 0 HE21 GLN A 37 6.602 -7.223 -13.106 1.00 51.20 H new ATOM 0 HE22 GLN A 37 6.161 -8.468 -14.279 1.00 51.20 H new ATOM 565 N GLY A 38 6.560 -7.082 -10.663 1.00 32.43 N ATOM 566 CA GLY A 38 7.949 -6.832 -10.222 1.00 51.12 C ATOM 567 C GLY A 38 8.070 -6.495 -8.730 1.00 33.31 C ATOM 568 O GLY A 38 8.223 -7.390 -7.895 1.00 24.01 O ATOM 0 H GLY A 38 6.406 -8.028 -11.013 1.00 32.43 H new ATOM 0 HA2 GLY A 38 8.553 -7.713 -10.437 1.00 51.12 H new ATOM 0 HA3 GLY A 38 8.364 -6.011 -10.806 1.00 51.12 H new ATOM 572 N ARG A 39 7.983 -5.188 -8.413 1.00 73.12 N ATOM 573 CA ARG A 39 7.964 -4.677 -7.026 1.00 35.11 C ATOM 574 C ARG A 39 6.599 -4.918 -6.351 1.00 2.20 C ATOM 575 O ARG A 39 6.539 -5.303 -5.177 1.00 34.03 O ATOM 576 CB ARG A 39 8.259 -3.154 -6.997 1.00 15.40 C ATOM 577 CG ARG A 39 9.666 -2.740 -7.472 1.00 3.41 C ATOM 578 CD ARG A 39 9.880 -1.221 -7.321 1.00 71.23 C ATOM 579 NE ARG A 39 11.285 -0.826 -7.506 1.00 12.40 N ATOM 580 CZ ARG A 39 11.870 0.190 -6.906 1.00 24.01 C ATOM 581 NH1 ARG A 39 11.236 0.913 -6.032 1.00 60.41 N ATOM 582 NH2 ARG A 39 13.099 0.466 -7.169 1.00 33.44 N ATOM 0 H ARG A 39 7.923 -4.452 -9.116 1.00 73.12 H new ATOM 0 HA ARG A 39 8.736 -5.220 -6.481 1.00 35.11 H new ATOM 0 HB2 ARG A 39 7.521 -2.647 -7.619 1.00 15.40 H new ATOM 0 HB3 ARG A 39 8.118 -2.794 -5.978 1.00 15.40 H new ATOM 0 HG2 ARG A 39 10.420 -3.275 -6.895 1.00 3.41 H new ATOM 0 HG3 ARG A 39 9.800 -3.027 -8.515 1.00 3.41 H new ATOM 0 HD2 ARG A 39 9.260 -0.697 -8.048 1.00 71.23 H new ATOM 0 HD3 ARG A 39 9.546 -0.907 -6.332 1.00 71.23 H new ATOM 0 HE ARG A 39 11.850 -1.382 -8.148 1.00 12.40 H new ATOM 0 HH11 ARG A 39 10.267 0.698 -5.799 1.00 60.41 H new ATOM 0 HH12 ARG A 39 11.708 1.696 -5.579 1.00 60.41 H new ATOM 0 HH21 ARG A 39 13.617 -0.101 -7.840 1.00 33.44 H new ATOM 0 HH22 ARG A 39 13.555 1.252 -6.706 1.00 33.44 H new ATOM 596 N VAL A 40 5.507 -4.666 -7.109 1.00 73.53 N ATOM 597 CA VAL A 40 4.139 -4.685 -6.566 1.00 73.13 C ATOM 598 C VAL A 40 3.666 -6.142 -6.366 1.00 63.32 C ATOM 599 O VAL A 40 3.421 -6.861 -7.332 1.00 3.51 O ATOM 600 CB VAL A 40 3.134 -3.896 -7.491 1.00 34.23 C ATOM 601 CG1 VAL A 40 1.714 -3.864 -6.882 1.00 74.44 C ATOM 602 CG2 VAL A 40 3.658 -2.465 -7.786 1.00 72.11 C ATOM 0 H VAL A 40 5.553 -4.446 -8.104 1.00 73.53 H new ATOM 0 HA VAL A 40 4.155 -4.182 -5.599 1.00 73.13 H new ATOM 0 HB VAL A 40 3.067 -4.427 -8.440 1.00 34.23 H new ATOM 0 HG11 VAL A 40 1.046 -3.313 -7.544 1.00 74.44 H new ATOM 0 HG12 VAL A 40 1.346 -4.883 -6.762 1.00 74.44 H new ATOM 0 HG13 VAL A 40 1.746 -3.373 -5.909 1.00 74.44 H new ATOM 0 HG21 VAL A 40 2.947 -1.942 -8.426 1.00 72.11 H new ATOM 0 HG22 VAL A 40 3.773 -1.919 -6.849 1.00 72.11 H new ATOM 0 HG23 VAL A 40 4.622 -2.527 -8.290 1.00 72.11 H new ATOM 612 N GLN A 41 3.603 -6.585 -5.103 1.00 11.32 N ATOM 613 CA GLN A 41 3.117 -7.933 -4.744 1.00 42.40 C ATOM 614 C GLN A 41 1.753 -7.819 -4.027 1.00 70.40 C ATOM 615 O GLN A 41 1.681 -7.399 -2.862 1.00 33.21 O ATOM 616 CB GLN A 41 4.163 -8.661 -3.854 1.00 14.51 C ATOM 617 CG GLN A 41 5.569 -8.787 -4.478 1.00 21.33 C ATOM 618 CD GLN A 41 5.593 -9.629 -5.758 1.00 11.20 C ATOM 619 OE1 GLN A 41 5.457 -9.120 -6.866 1.00 32.30 O ATOM 620 NE2 GLN A 41 5.764 -10.931 -5.615 1.00 53.42 N ATOM 0 H GLN A 41 3.886 -6.024 -4.300 1.00 11.32 H new ATOM 0 HA GLN A 41 2.981 -8.524 -5.650 1.00 42.40 H new ATOM 0 HB2 GLN A 41 4.248 -8.128 -2.907 1.00 14.51 H new ATOM 0 HB3 GLN A 41 3.792 -9.660 -3.625 1.00 14.51 H new ATOM 0 HG2 GLN A 41 5.950 -7.790 -4.700 1.00 21.33 H new ATOM 0 HG3 GLN A 41 6.244 -9.231 -3.747 1.00 21.33 H new ATOM 0 HE21 GLN A 41 5.875 -11.332 -4.684 1.00 53.42 H new ATOM 0 HE22 GLN A 41 5.785 -11.536 -6.436 1.00 53.42 H new ATOM 629 N LEU A 42 0.671 -8.155 -4.753 1.00 11.15 N ATOM 630 CA LEU A 42 -0.712 -8.075 -4.240 1.00 12.12 C ATOM 631 C LEU A 42 -1.232 -9.446 -3.755 1.00 54.34 C ATOM 632 O LEU A 42 -0.910 -10.488 -4.335 1.00 74.33 O ATOM 633 CB LEU A 42 -1.648 -7.485 -5.336 1.00 54.31 C ATOM 634 CG LEU A 42 -1.422 -5.969 -5.663 1.00 11.44 C ATOM 635 CD1 LEU A 42 -2.316 -5.492 -6.828 1.00 12.44 C ATOM 636 CD2 LEU A 42 -1.650 -5.098 -4.406 1.00 44.41 C ATOM 0 H LEU A 42 0.730 -8.491 -5.714 1.00 11.15 H new ATOM 0 HA LEU A 42 -0.710 -7.413 -3.374 1.00 12.12 H new ATOM 0 HB2 LEU A 42 -1.516 -8.061 -6.252 1.00 54.31 H new ATOM 0 HB3 LEU A 42 -2.682 -7.621 -5.020 1.00 54.31 H new ATOM 0 HG LEU A 42 -0.386 -5.856 -5.981 1.00 11.44 H new ATOM 0 HD11 LEU A 42 -2.128 -4.436 -7.022 1.00 12.44 H new ATOM 0 HD12 LEU A 42 -2.088 -6.072 -7.723 1.00 12.44 H new ATOM 0 HD13 LEU A 42 -3.364 -5.631 -6.563 1.00 12.44 H new ATOM 0 HD21 LEU A 42 -1.488 -4.049 -4.656 1.00 44.41 H new ATOM 0 HD22 LEU A 42 -2.672 -5.233 -4.050 1.00 44.41 H new ATOM 0 HD23 LEU A 42 -0.952 -5.397 -3.625 1.00 44.41 H new ATOM 648 N GLU A 43 -2.031 -9.414 -2.676 1.00 21.14 N ATOM 649 CA GLU A 43 -2.747 -10.590 -2.136 1.00 22.23 C ATOM 650 C GLU A 43 -4.159 -10.155 -1.682 1.00 11.14 C ATOM 651 O GLU A 43 -4.315 -9.102 -1.054 1.00 44.21 O ATOM 652 CB GLU A 43 -1.952 -11.209 -0.951 1.00 51.21 C ATOM 653 CG GLU A 43 -2.550 -12.506 -0.369 1.00 42.30 C ATOM 654 CD GLU A 43 -1.731 -13.062 0.816 1.00 41.43 C ATOM 655 OE1 GLU A 43 -2.001 -12.687 1.977 1.00 74.32 O ATOM 656 OE2 GLU A 43 -0.821 -13.887 0.589 1.00 63.34 O ATOM 0 H GLU A 43 -2.203 -8.561 -2.144 1.00 21.14 H new ATOM 0 HA GLU A 43 -2.839 -11.351 -2.911 1.00 22.23 H new ATOM 0 HB2 GLU A 43 -0.935 -11.414 -1.284 1.00 51.21 H new ATOM 0 HB3 GLU A 43 -1.884 -10.469 -0.154 1.00 51.21 H new ATOM 0 HG2 GLU A 43 -3.572 -12.315 -0.041 1.00 42.30 H new ATOM 0 HG3 GLU A 43 -2.603 -13.260 -1.154 1.00 42.30 H new ATOM 663 N GLN A 44 -5.180 -10.971 -2.005 1.00 42.32 N ATOM 664 CA GLN A 44 -6.596 -10.658 -1.714 1.00 23.45 C ATOM 665 C GLN A 44 -7.281 -11.836 -0.962 1.00 72.44 C ATOM 666 O GLN A 44 -7.543 -12.904 -1.524 1.00 5.14 O ATOM 667 CB GLN A 44 -7.369 -10.256 -3.023 1.00 41.21 C ATOM 668 CG GLN A 44 -7.355 -11.271 -4.205 1.00 55.51 C ATOM 669 CD GLN A 44 -5.998 -11.415 -4.913 1.00 64.55 C ATOM 670 OE1 GLN A 44 -5.187 -12.277 -4.579 1.00 12.14 O ATOM 671 NE2 GLN A 44 -5.733 -10.559 -5.884 1.00 25.44 N ATOM 0 H GLN A 44 -5.049 -11.867 -2.475 1.00 42.32 H new ATOM 0 HA GLN A 44 -6.627 -9.793 -1.051 1.00 23.45 H new ATOM 0 HB2 GLN A 44 -8.408 -10.065 -2.755 1.00 41.21 H new ATOM 0 HB3 GLN A 44 -6.955 -9.314 -3.383 1.00 41.21 H new ATOM 0 HG2 GLN A 44 -7.659 -12.248 -3.830 1.00 55.51 H new ATOM 0 HG3 GLN A 44 -8.101 -10.964 -4.938 1.00 55.51 H new ATOM 0 HE21 GLN A 44 -6.422 -9.853 -6.143 1.00 25.44 H new ATOM 0 HE22 GLN A 44 -4.840 -10.605 -6.374 1.00 25.44 H new ATOM 680 N ALA A 45 -7.517 -11.623 0.343 1.00 52.13 N ATOM 681 CA ALA A 45 -8.196 -12.590 1.242 1.00 0.31 C ATOM 682 C ALA A 45 -9.588 -12.056 1.684 1.00 50.24 C ATOM 683 O ALA A 45 -10.151 -12.504 2.693 1.00 72.30 O ATOM 684 CB ALA A 45 -7.283 -12.861 2.453 1.00 1.11 C ATOM 0 H ALA A 45 -7.240 -10.763 0.817 1.00 52.13 H new ATOM 0 HA ALA A 45 -8.373 -13.525 0.711 1.00 0.31 H new ATOM 0 HB1 ALA A 45 -7.769 -13.570 3.123 1.00 1.11 H new ATOM 0 HB2 ALA A 45 -6.336 -13.277 2.109 1.00 1.11 H new ATOM 0 HB3 ALA A 45 -7.098 -11.928 2.985 1.00 1.11 H new ATOM 690 N GLY A 46 -10.146 -11.112 0.895 1.00 31.45 N ATOM 691 CA GLY A 46 -11.458 -10.499 1.185 1.00 4.42 C ATOM 692 C GLY A 46 -11.338 -9.162 1.929 1.00 74.24 C ATOM 693 O GLY A 46 -11.319 -8.096 1.304 1.00 31.10 O ATOM 0 H GLY A 46 -9.704 -10.757 0.047 1.00 31.45 H new ATOM 0 HA2 GLY A 46 -11.995 -10.342 0.250 1.00 4.42 H new ATOM 0 HA3 GLY A 46 -12.053 -11.190 1.782 1.00 4.42 H new ATOM 697 N ALA A 47 -11.269 -9.223 3.275 1.00 32.53 N ATOM 698 CA ALA A 47 -11.021 -8.036 4.134 1.00 55.04 C ATOM 699 C ALA A 47 -9.507 -7.747 4.240 1.00 4.02 C ATOM 700 O ALA A 47 -9.070 -6.589 4.216 1.00 63.54 O ATOM 701 CB ALA A 47 -11.627 -8.259 5.532 1.00 70.45 C ATOM 0 H ALA A 47 -11.382 -10.090 3.800 1.00 32.53 H new ATOM 0 HA ALA A 47 -11.501 -7.170 3.678 1.00 55.04 H new ATOM 0 HB1 ALA A 47 -11.440 -7.383 6.154 1.00 70.45 H new ATOM 0 HB2 ALA A 47 -12.702 -8.417 5.442 1.00 70.45 H new ATOM 0 HB3 ALA A 47 -11.169 -9.135 5.992 1.00 70.45 H new ATOM 707 N ARG A 48 -8.719 -8.832 4.372 1.00 70.04 N ATOM 708 CA ARG A 48 -7.246 -8.769 4.411 1.00 41.32 C ATOM 709 C ARG A 48 -6.668 -8.599 2.986 1.00 14.21 C ATOM 710 O ARG A 48 -6.704 -9.523 2.173 1.00 62.05 O ATOM 711 CB ARG A 48 -6.657 -10.041 5.080 1.00 20.43 C ATOM 712 CG ARG A 48 -5.108 -10.083 5.133 1.00 24.34 C ATOM 713 CD ARG A 48 -4.571 -11.446 5.599 1.00 31.22 C ATOM 714 NE ARG A 48 -3.097 -11.479 5.616 1.00 35.13 N ATOM 715 CZ ARG A 48 -2.350 -12.515 5.313 1.00 73.23 C ATOM 716 NH1 ARG A 48 -2.863 -13.624 4.886 1.00 72.21 N ATOM 717 NH2 ARG A 48 -1.074 -12.418 5.424 1.00 14.34 N ATOM 0 H ARG A 48 -9.088 -9.779 4.455 1.00 70.04 H new ATOM 0 HA ARG A 48 -6.962 -7.902 5.007 1.00 41.32 H new ATOM 0 HB2 ARG A 48 -7.044 -10.114 6.096 1.00 20.43 H new ATOM 0 HB3 ARG A 48 -7.013 -10.918 4.539 1.00 20.43 H new ATOM 0 HG2 ARG A 48 -4.708 -9.857 4.145 1.00 24.34 H new ATOM 0 HG3 ARG A 48 -4.750 -9.305 5.807 1.00 24.34 H new ATOM 0 HD2 ARG A 48 -4.951 -11.664 6.597 1.00 31.22 H new ATOM 0 HD3 ARG A 48 -4.944 -12.229 4.938 1.00 31.22 H new ATOM 0 HE ARG A 48 -2.616 -10.622 5.887 1.00 35.13 H new ATOM 0 HH11 ARG A 48 -3.874 -13.710 4.777 1.00 72.21 H new ATOM 0 HH12 ARG A 48 -2.257 -14.412 4.658 1.00 72.21 H new ATOM 0 HH21 ARG A 48 -0.655 -11.545 5.744 1.00 14.34 H new ATOM 0 HH22 ARG A 48 -0.480 -13.214 5.192 1.00 14.34 H new ATOM 731 N GLN A 49 -6.187 -7.393 2.684 1.00 23.40 N ATOM 732 CA GLN A 49 -5.436 -7.098 1.445 1.00 65.55 C ATOM 733 C GLN A 49 -3.939 -6.904 1.780 1.00 20.24 C ATOM 734 O GLN A 49 -3.586 -6.596 2.928 1.00 72.42 O ATOM 735 CB GLN A 49 -6.028 -5.831 0.770 1.00 4.40 C ATOM 736 CG GLN A 49 -7.541 -5.933 0.471 1.00 50.00 C ATOM 737 CD GLN A 49 -7.893 -6.972 -0.608 1.00 10.44 C ATOM 738 OE1 GLN A 49 -7.123 -7.224 -1.526 1.00 52.54 O ATOM 739 NE2 GLN A 49 -9.063 -7.578 -0.505 1.00 51.42 N ATOM 0 H GLN A 49 -6.304 -6.582 3.291 1.00 23.40 H new ATOM 0 HA GLN A 49 -5.525 -7.932 0.748 1.00 65.55 H new ATOM 0 HB2 GLN A 49 -5.852 -4.971 1.416 1.00 4.40 H new ATOM 0 HB3 GLN A 49 -5.495 -5.644 -0.162 1.00 4.40 H new ATOM 0 HG2 GLN A 49 -8.067 -6.186 1.391 1.00 50.00 H new ATOM 0 HG3 GLN A 49 -7.906 -4.956 0.154 1.00 50.00 H new ATOM 0 HE21 GLN A 49 -9.688 -7.352 0.269 1.00 51.42 H new ATOM 0 HE22 GLN A 49 -9.341 -8.272 -1.199 1.00 51.42 H new ATOM 748 N VAL A 50 -3.057 -7.131 0.794 1.00 12.43 N ATOM 749 CA VAL A 50 -1.596 -6.942 0.962 1.00 62.22 C ATOM 750 C VAL A 50 -1.014 -6.206 -0.268 1.00 44.52 C ATOM 751 O VAL A 50 -1.101 -6.710 -1.385 1.00 63.00 O ATOM 752 CB VAL A 50 -0.837 -8.319 1.163 1.00 54.00 C ATOM 753 CG1 VAL A 50 0.690 -8.110 1.332 1.00 34.13 C ATOM 754 CG2 VAL A 50 -1.414 -9.137 2.354 1.00 23.11 C ATOM 0 H VAL A 50 -3.327 -7.448 -0.137 1.00 12.43 H new ATOM 0 HA VAL A 50 -1.446 -6.344 1.861 1.00 62.22 H new ATOM 0 HB VAL A 50 -1.001 -8.899 0.255 1.00 54.00 H new ATOM 0 HG11 VAL A 50 1.177 -9.076 1.467 1.00 34.13 H new ATOM 0 HG12 VAL A 50 1.091 -7.623 0.443 1.00 34.13 H new ATOM 0 HG13 VAL A 50 0.877 -7.484 2.204 1.00 34.13 H new ATOM 0 HG21 VAL A 50 -0.863 -10.072 2.454 1.00 23.11 H new ATOM 0 HG22 VAL A 50 -1.317 -8.559 3.273 1.00 23.11 H new ATOM 0 HG23 VAL A 50 -2.466 -9.354 2.171 1.00 23.11 H new ATOM 764 N LEU A 51 -0.457 -5.000 -0.051 1.00 22.34 N ATOM 765 CA LEU A 51 0.353 -4.276 -1.069 1.00 53.04 C ATOM 766 C LEU A 51 1.823 -4.256 -0.612 1.00 2.40 C ATOM 767 O LEU A 51 2.140 -3.711 0.441 1.00 62.54 O ATOM 768 CB LEU A 51 -0.209 -2.823 -1.302 1.00 41.45 C ATOM 769 CG LEU A 51 0.526 -1.856 -2.327 1.00 74.42 C ATOM 770 CD1 LEU A 51 1.776 -1.173 -1.726 1.00 14.24 C ATOM 771 CD2 LEU A 51 0.879 -2.589 -3.631 1.00 22.41 C ATOM 0 H LEU A 51 -0.551 -4.495 0.830 1.00 22.34 H new ATOM 0 HA LEU A 51 0.291 -4.793 -2.027 1.00 53.04 H new ATOM 0 HB2 LEU A 51 -1.244 -2.921 -1.630 1.00 41.45 H new ATOM 0 HB3 LEU A 51 -0.228 -2.321 -0.335 1.00 41.45 H new ATOM 0 HG LEU A 51 -0.185 -1.062 -2.556 1.00 74.42 H new ATOM 0 HD11 LEU A 51 2.233 -0.526 -2.475 1.00 14.24 H new ATOM 0 HD12 LEU A 51 1.485 -0.577 -0.861 1.00 14.24 H new ATOM 0 HD13 LEU A 51 2.493 -1.934 -1.418 1.00 14.24 H new ATOM 0 HD21 LEU A 51 1.381 -1.901 -4.311 1.00 22.41 H new ATOM 0 HD22 LEU A 51 1.540 -3.427 -3.410 1.00 22.41 H new ATOM 0 HD23 LEU A 51 -0.033 -2.960 -4.098 1.00 22.41 H new ATOM 783 N ARG A 52 2.714 -4.857 -1.410 1.00 71.40 N ATOM 784 CA ARG A 52 4.171 -4.827 -1.159 1.00 10.42 C ATOM 785 C ARG A 52 4.903 -4.032 -2.263 1.00 61.22 C ATOM 786 O ARG A 52 4.526 -4.112 -3.429 1.00 40.33 O ATOM 787 CB ARG A 52 4.726 -6.274 -1.088 1.00 74.33 C ATOM 788 CG ARG A 52 4.065 -7.161 -0.011 1.00 42.01 C ATOM 789 CD ARG A 52 4.598 -8.599 -0.027 1.00 34.23 C ATOM 790 NE ARG A 52 3.932 -9.451 0.972 1.00 75.21 N ATOM 791 CZ ARG A 52 3.716 -10.740 0.854 1.00 1.11 C ATOM 792 NH1 ARG A 52 4.056 -11.392 -0.211 1.00 64.24 N ATOM 793 NH2 ARG A 52 3.154 -11.371 1.816 1.00 24.10 N ATOM 0 H ARG A 52 2.452 -5.378 -2.247 1.00 71.40 H new ATOM 0 HA ARG A 52 4.346 -4.329 -0.206 1.00 10.42 H new ATOM 0 HB2 ARG A 52 4.596 -6.748 -2.061 1.00 74.33 H new ATOM 0 HB3 ARG A 52 5.798 -6.229 -0.896 1.00 74.33 H new ATOM 0 HG2 ARG A 52 4.238 -6.723 0.972 1.00 42.01 H new ATOM 0 HG3 ARG A 52 2.986 -7.175 -0.168 1.00 42.01 H new ATOM 0 HD2 ARG A 52 4.455 -9.026 -1.019 1.00 34.23 H new ATOM 0 HD3 ARG A 52 5.671 -8.589 0.164 1.00 34.23 H new ATOM 0 HE ARG A 52 3.611 -9.001 1.829 1.00 75.21 H new ATOM 0 HH11 ARG A 52 4.504 -10.904 -0.986 1.00 64.24 H new ATOM 0 HH12 ARG A 52 3.876 -12.394 -0.275 1.00 64.24 H new ATOM 0 HH21 ARG A 52 2.880 -10.872 2.662 1.00 24.10 H new ATOM 0 HH22 ARG A 52 2.981 -12.373 1.736 1.00 24.10 H new ATOM 807 N VAL A 53 5.934 -3.250 -1.876 1.00 31.41 N ATOM 808 CA VAL A 53 6.838 -2.544 -2.825 1.00 23.53 C ATOM 809 C VAL A 53 8.304 -2.862 -2.454 1.00 3.24 C ATOM 810 O VAL A 53 8.846 -2.304 -1.486 1.00 41.42 O ATOM 811 CB VAL A 53 6.609 -0.975 -2.837 1.00 65.12 C ATOM 812 CG1 VAL A 53 7.615 -0.261 -3.787 1.00 35.43 C ATOM 813 CG2 VAL A 53 5.145 -0.618 -3.211 1.00 24.13 C ATOM 0 H VAL A 53 6.168 -3.087 -0.897 1.00 31.41 H new ATOM 0 HA VAL A 53 6.611 -2.901 -3.829 1.00 23.53 H new ATOM 0 HB VAL A 53 6.792 -0.614 -1.825 1.00 65.12 H new ATOM 0 HG11 VAL A 53 7.430 0.813 -3.772 1.00 35.43 H new ATOM 0 HG12 VAL A 53 8.634 -0.459 -3.453 1.00 35.43 H new ATOM 0 HG13 VAL A 53 7.486 -0.637 -4.802 1.00 35.43 H new ATOM 0 HG21 VAL A 53 5.023 0.465 -3.210 1.00 24.13 H new ATOM 0 HG22 VAL A 53 4.918 -1.008 -4.203 1.00 24.13 H new ATOM 0 HG23 VAL A 53 4.465 -1.061 -2.483 1.00 24.13 H new ATOM 823 N GLN A 54 8.932 -3.779 -3.208 1.00 31.52 N ATOM 824 CA GLN A 54 10.342 -4.169 -2.973 1.00 43.02 C ATOM 825 C GLN A 54 11.291 -3.047 -3.459 1.00 34.51 C ATOM 826 O GLN A 54 11.267 -2.671 -4.633 1.00 73.23 O ATOM 827 CB GLN A 54 10.650 -5.549 -3.655 1.00 70.30 C ATOM 828 CG GLN A 54 11.843 -6.360 -3.043 1.00 41.45 C ATOM 829 CD GLN A 54 13.252 -6.018 -3.582 1.00 3.31 C ATOM 830 OE1 GLN A 54 13.536 -4.914 -4.020 1.00 31.33 O ATOM 831 NE2 GLN A 54 14.160 -6.972 -3.526 1.00 22.32 N ATOM 0 H GLN A 54 8.490 -4.267 -3.987 1.00 31.52 H new ATOM 0 HA GLN A 54 10.510 -4.298 -1.904 1.00 43.02 H new ATOM 0 HB2 GLN A 54 9.753 -6.166 -3.606 1.00 70.30 H new ATOM 0 HB3 GLN A 54 10.858 -5.373 -4.710 1.00 70.30 H new ATOM 0 HG2 GLN A 54 11.843 -6.207 -1.964 1.00 41.45 H new ATOM 0 HG3 GLN A 54 11.659 -7.421 -3.214 1.00 41.45 H new ATOM 0 HE21 GLN A 54 13.912 -7.891 -3.158 1.00 22.32 H new ATOM 0 HE22 GLN A 54 15.110 -6.791 -3.850 1.00 22.32 H new ATOM 840 N GLY A 55 12.126 -2.521 -2.545 1.00 25.13 N ATOM 841 CA GLY A 55 13.043 -1.415 -2.862 1.00 52.11 C ATOM 842 C GLY A 55 12.394 -0.033 -2.730 1.00 62.41 C ATOM 843 O GLY A 55 12.684 0.876 -3.520 1.00 34.21 O ATOM 0 H GLY A 55 12.183 -2.846 -1.580 1.00 25.13 H new ATOM 0 HA2 GLY A 55 13.907 -1.468 -2.200 1.00 52.11 H new ATOM 0 HA3 GLY A 55 13.413 -1.539 -3.880 1.00 52.11 H new ATOM 847 N ALA A 56 11.507 0.117 -1.726 1.00 71.32 N ATOM 848 CA ALA A 56 10.881 1.410 -1.374 1.00 10.44 C ATOM 849 C ALA A 56 11.942 2.438 -0.878 1.00 24.13 C ATOM 850 O ALA A 56 12.261 2.502 0.313 1.00 1.55 O ATOM 851 CB ALA A 56 9.760 1.187 -0.337 1.00 55.25 C ATOM 0 H ALA A 56 11.203 -0.656 -1.134 1.00 71.32 H new ATOM 0 HA ALA A 56 10.431 1.838 -2.270 1.00 10.44 H new ATOM 0 HB1 ALA A 56 9.304 2.144 -0.083 1.00 55.25 H new ATOM 0 HB2 ALA A 56 9.003 0.524 -0.756 1.00 55.25 H new ATOM 0 HB3 ALA A 56 10.180 0.735 0.562 1.00 55.25 H new ATOM 857 N ARG A 57 12.497 3.218 -1.827 1.00 44.24 N ATOM 858 CA ARG A 57 13.725 4.028 -1.618 1.00 52.21 C ATOM 859 C ARG A 57 13.457 5.450 -1.058 1.00 74.11 C ATOM 860 O ARG A 57 14.027 5.825 -0.026 1.00 10.24 O ATOM 861 CB ARG A 57 14.515 4.120 -2.953 1.00 12.43 C ATOM 862 CG ARG A 57 15.905 4.794 -2.855 1.00 53.44 C ATOM 863 CD ARG A 57 16.876 4.007 -1.960 1.00 60.53 C ATOM 864 NE ARG A 57 18.184 4.669 -1.829 1.00 11.05 N ATOM 865 CZ ARG A 57 19.167 4.261 -1.054 1.00 14.22 C ATOM 866 NH1 ARG A 57 19.058 3.195 -0.320 1.00 15.54 N ATOM 867 NH2 ARG A 57 20.271 4.925 -1.028 1.00 33.41 N ATOM 0 H ARG A 57 12.108 3.308 -2.766 1.00 44.24 H new ATOM 0 HA ARG A 57 14.311 3.514 -0.856 1.00 52.21 H new ATOM 0 HB2 ARG A 57 14.645 3.113 -3.349 1.00 12.43 H new ATOM 0 HB3 ARG A 57 13.913 4.671 -3.675 1.00 12.43 H new ATOM 0 HG2 ARG A 57 16.331 4.888 -3.854 1.00 53.44 H new ATOM 0 HG3 ARG A 57 15.789 5.804 -2.461 1.00 53.44 H new ATOM 0 HD2 ARG A 57 16.434 3.883 -0.971 1.00 60.53 H new ATOM 0 HD3 ARG A 57 17.018 3.008 -2.373 1.00 60.53 H new ATOM 0 HE ARG A 57 18.341 5.511 -2.383 1.00 11.05 H new ATOM 0 HH11 ARG A 57 18.195 2.651 -0.335 1.00 15.54 H new ATOM 0 HH12 ARG A 57 19.835 2.901 0.271 1.00 15.54 H new ATOM 0 HH21 ARG A 57 20.378 5.759 -1.605 1.00 33.41 H new ATOM 0 HH22 ARG A 57 21.038 4.616 -0.431 1.00 33.41 H new ATOM 881 N SER A 58 12.631 6.252 -1.758 1.00 24.22 N ATOM 882 CA SER A 58 12.390 7.676 -1.379 1.00 33.33 C ATOM 883 C SER A 58 11.105 8.226 -2.030 1.00 34.25 C ATOM 884 O SER A 58 10.181 8.659 -1.330 1.00 73.23 O ATOM 885 CB SER A 58 13.607 8.561 -1.764 1.00 1.12 C ATOM 886 OG SER A 58 13.391 9.924 -1.421 1.00 44.11 O ATOM 0 H SER A 58 12.118 5.949 -2.586 1.00 24.22 H new ATOM 0 HA SER A 58 12.259 7.708 -0.297 1.00 33.33 H new ATOM 0 HB2 SER A 58 14.499 8.194 -1.257 1.00 1.12 H new ATOM 0 HB3 SER A 58 13.793 8.480 -2.835 1.00 1.12 H new ATOM 0 HG SER A 58 14.176 10.453 -1.675 1.00 44.11 H new ATOM 892 N GLY A 59 11.052 8.194 -3.382 1.00 62.45 N ATOM 893 CA GLY A 59 9.838 8.567 -4.142 1.00 63.33 C ATOM 894 C GLY A 59 8.663 7.591 -3.938 1.00 15.15 C ATOM 895 O GLY A 59 7.534 7.865 -4.347 1.00 30.25 O ATOM 0 H GLY A 59 11.838 7.913 -3.969 1.00 62.45 H new ATOM 0 HA2 GLY A 59 9.525 9.568 -3.844 1.00 63.33 H new ATOM 0 HA3 GLY A 59 10.083 8.612 -5.203 1.00 63.33 H new ATOM 899 N ASP A 60 8.951 6.451 -3.288 1.00 0.01 N ATOM 900 CA ASP A 60 7.961 5.420 -2.922 1.00 73.41 C ATOM 901 C ASP A 60 7.146 5.818 -1.655 1.00 70.11 C ATOM 902 O ASP A 60 6.240 5.088 -1.237 1.00 31.31 O ATOM 903 CB ASP A 60 8.702 4.079 -2.685 1.00 35.14 C ATOM 904 CG ASP A 60 9.618 3.677 -3.862 1.00 62.41 C ATOM 905 OD1 ASP A 60 10.730 4.256 -3.991 1.00 12.03 O ATOM 906 OD2 ASP A 60 9.241 2.796 -4.666 1.00 34.01 O ATOM 0 H ASP A 60 9.899 6.214 -2.995 1.00 0.01 H new ATOM 0 HA ASP A 60 7.248 5.318 -3.740 1.00 73.41 H new ATOM 0 HB2 ASP A 60 9.300 4.157 -1.777 1.00 35.14 H new ATOM 0 HB3 ASP A 60 7.969 3.290 -2.517 1.00 35.14 H new ATOM 911 N ALA A 61 7.491 6.974 -1.041 1.00 24.52 N ATOM 912 CA ALA A 61 6.763 7.531 0.115 1.00 11.24 C ATOM 913 C ALA A 61 5.520 8.292 -0.366 1.00 23.21 C ATOM 914 O ALA A 61 5.619 9.159 -1.247 1.00 31.32 O ATOM 915 CB ALA A 61 7.673 8.458 0.939 1.00 15.30 C ATOM 0 H ALA A 61 8.283 7.545 -1.336 1.00 24.52 H new ATOM 0 HA ALA A 61 6.449 6.707 0.756 1.00 11.24 H new ATOM 0 HB1 ALA A 61 7.115 8.857 1.786 1.00 15.30 H new ATOM 0 HB2 ALA A 61 8.532 7.895 1.303 1.00 15.30 H new ATOM 0 HB3 ALA A 61 8.018 9.280 0.312 1.00 15.30 H new ATOM 921 N GLY A 62 4.357 7.953 0.198 1.00 75.30 N ATOM 922 CA GLY A 62 3.106 8.598 -0.173 1.00 60.12 C ATOM 923 C GLY A 62 1.867 7.842 0.289 1.00 1.51 C ATOM 924 O GLY A 62 1.957 6.854 1.028 1.00 63.34 O ATOM 0 H GLY A 62 4.262 7.233 0.914 1.00 75.30 H new ATOM 0 HA2 GLY A 62 3.086 9.603 0.249 1.00 60.12 H new ATOM 0 HA3 GLY A 62 3.071 8.707 -1.257 1.00 60.12 H new ATOM 928 N GLU A 63 0.700 8.319 -0.161 1.00 22.53 N ATOM 929 CA GLU A 63 -0.610 7.764 0.219 1.00 35.41 C ATOM 930 C GLU A 63 -1.021 6.601 -0.709 1.00 12.41 C ATOM 931 O GLU A 63 -1.261 6.800 -1.909 1.00 32.34 O ATOM 932 CB GLU A 63 -1.679 8.883 0.172 1.00 43.15 C ATOM 933 CG GLU A 63 -1.379 10.085 1.097 1.00 22.40 C ATOM 934 CD GLU A 63 -2.336 11.267 0.869 1.00 43.43 C ATOM 935 OE1 GLU A 63 -2.067 12.095 -0.037 1.00 51.04 O ATOM 936 OE2 GLU A 63 -3.348 11.380 1.590 1.00 31.24 O ATOM 0 H GLU A 63 0.635 9.108 -0.805 1.00 22.53 H new ATOM 0 HA GLU A 63 -0.534 7.370 1.232 1.00 35.41 H new ATOM 0 HB2 GLU A 63 -1.769 9.242 -0.853 1.00 43.15 H new ATOM 0 HB3 GLU A 63 -2.645 8.459 0.447 1.00 43.15 H new ATOM 0 HG2 GLU A 63 -1.447 9.764 2.136 1.00 22.40 H new ATOM 0 HG3 GLU A 63 -0.354 10.417 0.933 1.00 22.40 H new ATOM 943 N TYR A 64 -1.052 5.388 -0.144 1.00 11.31 N ATOM 944 CA TYR A 64 -1.604 4.194 -0.805 1.00 55.11 C ATOM 945 C TYR A 64 -3.042 3.951 -0.279 1.00 60.43 C ATOM 946 O TYR A 64 -3.245 3.583 0.878 1.00 42.21 O ATOM 947 CB TYR A 64 -0.704 2.962 -0.548 1.00 34.00 C ATOM 948 CG TYR A 64 0.717 3.055 -1.142 1.00 44.44 C ATOM 949 CD1 TYR A 64 1.677 3.915 -0.601 1.00 63.24 C ATOM 950 CD2 TYR A 64 1.103 2.263 -2.228 1.00 52.15 C ATOM 951 CE1 TYR A 64 2.959 3.981 -1.117 1.00 63.42 C ATOM 952 CE2 TYR A 64 2.386 2.324 -2.743 1.00 43.14 C ATOM 953 CZ TYR A 64 3.311 3.179 -2.183 1.00 5.32 C ATOM 954 OH TYR A 64 4.586 3.242 -2.700 1.00 73.44 O ATOM 0 H TYR A 64 -0.692 5.204 0.792 1.00 11.31 H new ATOM 0 HA TYR A 64 -1.637 4.354 -1.883 1.00 55.11 H new ATOM 0 HB2 TYR A 64 -0.622 2.809 0.528 1.00 34.00 H new ATOM 0 HB3 TYR A 64 -1.196 2.080 -0.958 1.00 34.00 H new ATOM 0 HD1 TYR A 64 1.412 4.541 0.238 1.00 63.24 H new ATOM 0 HD2 TYR A 64 0.385 1.590 -2.674 1.00 52.15 H new ATOM 0 HE1 TYR A 64 3.682 4.658 -0.687 1.00 63.42 H new ATOM 0 HE2 TYR A 64 2.662 1.703 -3.582 1.00 43.14 H new ATOM 0 HH TYR A 64 5.119 3.879 -2.180 1.00 73.44 H new ATOM 964 N LEU A 65 -4.025 4.149 -1.152 1.00 3.34 N ATOM 965 CA LEU A 65 -5.452 4.139 -0.806 1.00 5.43 C ATOM 966 C LEU A 65 -6.051 2.738 -1.039 1.00 52.41 C ATOM 967 O LEU A 65 -6.223 2.307 -2.187 1.00 74.14 O ATOM 968 CB LEU A 65 -6.185 5.199 -1.680 1.00 22.21 C ATOM 969 CG LEU A 65 -7.736 5.294 -1.510 1.00 64.35 C ATOM 970 CD1 LEU A 65 -8.139 5.728 -0.079 1.00 44.21 C ATOM 971 CD2 LEU A 65 -8.346 6.228 -2.582 1.00 4.04 C ATOM 0 H LEU A 65 -3.853 4.325 -2.142 1.00 3.34 H new ATOM 0 HA LEU A 65 -5.577 4.385 0.248 1.00 5.43 H new ATOM 0 HB2 LEU A 65 -5.757 6.177 -1.459 1.00 22.21 H new ATOM 0 HB3 LEU A 65 -5.969 4.986 -2.727 1.00 22.21 H new ATOM 0 HG LEU A 65 -8.146 4.295 -1.658 1.00 64.35 H new ATOM 0 HD11 LEU A 65 -9.225 5.781 -0.007 1.00 44.21 H new ATOM 0 HD12 LEU A 65 -7.762 5.002 0.641 1.00 44.21 H new ATOM 0 HD13 LEU A 65 -7.713 6.708 0.138 1.00 44.21 H new ATOM 0 HD21 LEU A 65 -9.426 6.281 -2.447 1.00 4.04 H new ATOM 0 HD22 LEU A 65 -7.919 7.226 -2.481 1.00 4.04 H new ATOM 0 HD23 LEU A 65 -8.124 5.837 -3.575 1.00 4.04 H new ATOM 983 N CYS A 66 -6.325 2.017 0.061 1.00 42.54 N ATOM 984 CA CYS A 66 -7.067 0.743 0.015 1.00 13.11 C ATOM 985 C CYS A 66 -8.577 1.040 -0.095 1.00 60.41 C ATOM 986 O CYS A 66 -9.288 1.177 0.912 1.00 70.34 O ATOM 987 CB CYS A 66 -6.755 -0.098 1.267 1.00 0.32 C ATOM 988 SG CYS A 66 -7.509 -1.738 1.298 1.00 4.34 S ATOM 0 H CYS A 66 -6.042 2.296 1.000 1.00 42.54 H new ATOM 0 HA CYS A 66 -6.759 0.167 -0.858 1.00 13.11 H new ATOM 0 HB2 CYS A 66 -5.674 -0.211 1.349 1.00 0.32 H new ATOM 0 HB3 CYS A 66 -7.086 0.453 2.147 1.00 0.32 H new ATOM 0 HG CYS A 66 -7.267 -2.348 0.176 1.00 4.34 H new ATOM 994 N ASP A 67 -9.035 1.182 -1.342 1.00 42.03 N ATOM 995 CA ASP A 67 -10.420 1.533 -1.674 1.00 44.33 C ATOM 996 C ASP A 67 -11.351 0.296 -1.541 1.00 13.32 C ATOM 997 O ASP A 67 -11.515 -0.488 -2.489 1.00 43.23 O ATOM 998 CB ASP A 67 -10.450 2.132 -3.109 1.00 61.34 C ATOM 999 CG ASP A 67 -11.783 2.818 -3.450 1.00 2.42 C ATOM 1000 OD1 ASP A 67 -11.931 4.023 -3.155 1.00 52.30 O ATOM 1001 OD2 ASP A 67 -12.689 2.163 -4.009 1.00 35.33 O ATOM 0 H ASP A 67 -8.444 1.054 -2.164 1.00 42.03 H new ATOM 0 HA ASP A 67 -10.794 2.279 -0.973 1.00 44.33 H new ATOM 0 HB2 ASP A 67 -9.640 2.854 -3.211 1.00 61.34 H new ATOM 0 HB3 ASP A 67 -10.262 1.338 -3.831 1.00 61.34 H new ATOM 1006 N ALA A 68 -11.910 0.106 -0.331 1.00 64.14 N ATOM 1007 CA ALA A 68 -12.828 -1.019 -0.020 1.00 44.34 C ATOM 1008 C ALA A 68 -14.310 -0.598 -0.188 1.00 34.14 C ATOM 1009 O ALA A 68 -14.635 0.572 0.058 1.00 44.00 O ATOM 1010 CB ALA A 68 -12.561 -1.528 1.405 1.00 43.45 C ATOM 0 H ALA A 68 -11.741 0.725 0.462 1.00 64.14 H new ATOM 0 HA ALA A 68 -12.638 -1.827 -0.726 1.00 44.34 H new ATOM 0 HB1 ALA A 68 -13.237 -2.353 1.629 1.00 43.45 H new ATOM 0 HB2 ALA A 68 -11.530 -1.872 1.481 1.00 43.45 H new ATOM 0 HB3 ALA A 68 -12.727 -0.720 2.117 1.00 43.45 H new ATOM 1016 N PRO A 69 -15.235 -1.553 -0.597 1.00 52.00 N ATOM 1017 CA PRO A 69 -16.681 -1.249 -0.855 1.00 3.40 C ATOM 1018 C PRO A 69 -17.428 -0.576 0.333 1.00 52.42 C ATOM 1019 O PRO A 69 -18.356 0.218 0.129 1.00 25.22 O ATOM 1020 CB PRO A 69 -17.289 -2.644 -1.166 1.00 44.40 C ATOM 1021 CG PRO A 69 -16.132 -3.447 -1.680 1.00 55.11 C ATOM 1022 CD PRO A 69 -14.940 -2.992 -0.871 1.00 54.44 C ATOM 0 HA PRO A 69 -16.782 -0.519 -1.658 1.00 3.40 H new ATOM 0 HB2 PRO A 69 -17.722 -3.097 -0.274 1.00 44.40 H new ATOM 0 HB3 PRO A 69 -18.085 -2.574 -1.907 1.00 44.40 H new ATOM 0 HG2 PRO A 69 -16.308 -4.515 -1.554 1.00 55.11 H new ATOM 0 HG3 PRO A 69 -15.974 -3.273 -2.744 1.00 55.11 H new ATOM 0 HD2 PRO A 69 -14.839 -3.564 0.051 1.00 54.44 H new ATOM 0 HD3 PRO A 69 -14.009 -3.113 -1.425 1.00 54.44 H new ATOM 1030 N GLN A 70 -17.022 -0.916 1.568 1.00 25.30 N ATOM 1031 CA GLN A 70 -17.606 -0.332 2.798 1.00 42.42 C ATOM 1032 C GLN A 70 -16.898 0.990 3.194 1.00 14.23 C ATOM 1033 O GLN A 70 -17.555 2.018 3.408 1.00 22.34 O ATOM 1034 CB GLN A 70 -17.530 -1.351 3.968 1.00 24.01 C ATOM 1035 CG GLN A 70 -18.252 -2.700 3.720 1.00 44.32 C ATOM 1036 CD GLN A 70 -19.787 -2.637 3.747 1.00 20.10 C ATOM 1037 OE1 GLN A 70 -20.403 -1.631 3.430 1.00 44.23 O ATOM 1038 NE2 GLN A 70 -20.420 -3.730 4.123 1.00 14.22 N ATOM 0 H GLN A 70 -16.285 -1.598 1.747 1.00 25.30 H new ATOM 0 HA GLN A 70 -18.651 -0.102 2.591 1.00 42.42 H new ATOM 0 HB2 GLN A 70 -16.481 -1.554 4.184 1.00 24.01 H new ATOM 0 HB3 GLN A 70 -17.955 -0.889 4.859 1.00 24.01 H new ATOM 0 HG2 GLN A 70 -17.938 -3.089 2.752 1.00 44.32 H new ATOM 0 HG3 GLN A 70 -17.921 -3.415 4.473 1.00 44.32 H new ATOM 0 HE21 GLN A 70 -19.890 -4.562 4.385 1.00 14.22 H new ATOM 0 HE22 GLN A 70 -21.439 -3.744 4.152 1.00 14.22 H new ATOM 1047 N ASP A 71 -15.551 0.955 3.283 1.00 13.34 N ATOM 1048 CA ASP A 71 -14.736 2.103 3.749 1.00 3.30 C ATOM 1049 C ASP A 71 -13.329 2.132 3.085 1.00 62.24 C ATOM 1050 O ASP A 71 -12.579 1.158 3.137 1.00 10.05 O ATOM 1051 CB ASP A 71 -14.626 2.089 5.309 1.00 31.41 C ATOM 1052 CG ASP A 71 -14.509 0.672 5.914 1.00 61.41 C ATOM 1053 OD1 ASP A 71 -13.418 0.064 5.869 1.00 52.04 O ATOM 1054 OD2 ASP A 71 -15.516 0.166 6.447 1.00 30.01 O ATOM 0 H ASP A 71 -14.998 0.135 3.035 1.00 13.34 H new ATOM 0 HA ASP A 71 -15.244 3.017 3.442 1.00 3.30 H new ATOM 0 HB2 ASP A 71 -13.756 2.674 5.608 1.00 31.41 H new ATOM 0 HB3 ASP A 71 -15.502 2.582 5.730 1.00 31.41 H new ATOM 1059 N SER A 72 -12.990 3.281 2.469 1.00 24.03 N ATOM 1060 CA SER A 72 -11.674 3.514 1.818 1.00 21.05 C ATOM 1061 C SER A 72 -10.647 4.045 2.850 1.00 72.13 C ATOM 1062 O SER A 72 -10.853 5.115 3.436 1.00 13.43 O ATOM 1063 CB SER A 72 -11.828 4.526 0.656 1.00 60.24 C ATOM 1064 OG SER A 72 -12.842 4.120 -0.249 1.00 4.11 O ATOM 0 H SER A 72 -13.620 4.081 2.405 1.00 24.03 H new ATOM 0 HA SER A 72 -11.311 2.567 1.419 1.00 21.05 H new ATOM 0 HB2 SER A 72 -12.069 5.510 1.058 1.00 60.24 H new ATOM 0 HB3 SER A 72 -10.881 4.621 0.125 1.00 60.24 H new ATOM 0 HG SER A 72 -12.487 4.128 -1.163 1.00 4.11 H new ATOM 1070 N ARG A 73 -9.544 3.294 3.072 1.00 34.22 N ATOM 1071 CA ARG A 73 -8.510 3.641 4.090 1.00 21.20 C ATOM 1072 C ARG A 73 -7.226 4.185 3.424 1.00 14.41 C ATOM 1073 O ARG A 73 -6.689 3.583 2.488 1.00 15.10 O ATOM 1074 CB ARG A 73 -8.162 2.399 4.977 1.00 52.20 C ATOM 1075 CG ARG A 73 -9.057 2.188 6.227 1.00 74.12 C ATOM 1076 CD ARG A 73 -10.572 2.288 5.945 1.00 62.13 C ATOM 1077 NE ARG A 73 -11.390 1.776 7.056 1.00 45.33 N ATOM 1078 CZ ARG A 73 -11.664 2.405 8.172 1.00 63.51 C ATOM 1079 NH1 ARG A 73 -11.259 3.618 8.387 1.00 74.14 N ATOM 1080 NH2 ARG A 73 -12.374 1.813 9.066 1.00 11.41 N ATOM 0 H ARG A 73 -9.341 2.436 2.559 1.00 34.22 H new ATOM 0 HA ARG A 73 -8.928 4.423 4.724 1.00 21.20 H new ATOM 0 HB2 ARG A 73 -8.221 1.505 4.356 1.00 52.20 H new ATOM 0 HB3 ARG A 73 -7.127 2.490 5.306 1.00 52.20 H new ATOM 0 HG2 ARG A 73 -8.842 1.208 6.653 1.00 74.12 H new ATOM 0 HG3 ARG A 73 -8.789 2.929 6.981 1.00 74.12 H new ATOM 0 HD2 ARG A 73 -10.834 3.329 5.755 1.00 62.13 H new ATOM 0 HD3 ARG A 73 -10.807 1.730 5.039 1.00 62.13 H new ATOM 0 HE ARG A 73 -11.782 0.841 6.947 1.00 45.33 H new ATOM 0 HH11 ARG A 73 -10.712 4.106 7.678 1.00 74.14 H new ATOM 0 HH12 ARG A 73 -11.487 4.084 9.265 1.00 74.14 H new ATOM 0 HH21 ARG A 73 -12.716 0.866 8.901 1.00 11.41 H new ATOM 0 HH22 ARG A 73 -12.595 2.290 9.940 1.00 11.41 H new ATOM 1094 N ILE A 74 -6.743 5.323 3.941 1.00 1.53 N ATOM 1095 CA ILE A 74 -5.499 5.966 3.486 1.00 3.22 C ATOM 1096 C ILE A 74 -4.295 5.410 4.284 1.00 60.24 C ATOM 1097 O ILE A 74 -4.231 5.579 5.501 1.00 25.44 O ATOM 1098 CB ILE A 74 -5.599 7.526 3.670 1.00 21.21 C ATOM 1099 CG1 ILE A 74 -6.796 8.108 2.845 1.00 54.22 C ATOM 1100 CG2 ILE A 74 -4.269 8.230 3.305 1.00 13.14 C ATOM 1101 CD1 ILE A 74 -7.041 9.597 3.040 1.00 32.23 C ATOM 0 H ILE A 74 -7.208 5.829 4.694 1.00 1.53 H new ATOM 0 HA ILE A 74 -5.352 5.747 2.428 1.00 3.22 H new ATOM 0 HB ILE A 74 -5.789 7.724 4.725 1.00 21.21 H new ATOM 0 HG12 ILE A 74 -6.615 7.919 1.787 1.00 54.22 H new ATOM 0 HG13 ILE A 74 -7.703 7.566 3.115 1.00 54.22 H new ATOM 0 HG21 ILE A 74 -4.377 9.306 3.444 1.00 13.14 H new ATOM 0 HG22 ILE A 74 -3.472 7.858 3.949 1.00 13.14 H new ATOM 0 HG23 ILE A 74 -4.021 8.022 2.264 1.00 13.14 H new ATOM 0 HD11 ILE A 74 -7.888 9.909 2.430 1.00 32.23 H new ATOM 0 HD12 ILE A 74 -7.257 9.796 4.090 1.00 32.23 H new ATOM 0 HD13 ILE A 74 -6.153 10.154 2.741 1.00 32.23 H new ATOM 1113 N PHE A 75 -3.345 4.763 3.580 1.00 14.31 N ATOM 1114 CA PHE A 75 -2.102 4.237 4.191 1.00 41.31 C ATOM 1115 C PHE A 75 -0.964 5.238 3.940 1.00 42.22 C ATOM 1116 O PHE A 75 -0.438 5.329 2.821 1.00 0.30 O ATOM 1117 CB PHE A 75 -1.716 2.839 3.597 1.00 65.35 C ATOM 1118 CG PHE A 75 -2.622 1.688 4.031 1.00 21.31 C ATOM 1119 CD1 PHE A 75 -3.959 1.637 3.635 1.00 15.15 C ATOM 1120 CD2 PHE A 75 -2.140 0.663 4.854 1.00 35.34 C ATOM 1121 CE1 PHE A 75 -4.781 0.609 4.053 1.00 23.23 C ATOM 1122 CE2 PHE A 75 -2.969 -0.364 5.268 1.00 62.11 C ATOM 1123 CZ PHE A 75 -4.287 -0.388 4.864 1.00 52.35 C ATOM 0 H PHE A 75 -3.414 4.590 2.577 1.00 14.31 H new ATOM 0 HA PHE A 75 -2.268 4.109 5.261 1.00 41.31 H new ATOM 0 HB2 PHE A 75 -1.731 2.905 2.509 1.00 65.35 H new ATOM 0 HB3 PHE A 75 -0.692 2.606 3.888 1.00 65.35 H new ATOM 0 HD1 PHE A 75 -4.356 2.411 2.994 1.00 15.15 H new ATOM 0 HD2 PHE A 75 -1.107 0.674 5.170 1.00 35.34 H new ATOM 0 HE1 PHE A 75 -5.815 0.587 3.743 1.00 23.23 H new ATOM 0 HE2 PHE A 75 -2.585 -1.146 5.907 1.00 62.11 H new ATOM 0 HZ PHE A 75 -4.934 -1.191 5.185 1.00 52.35 H new ATOM 1133 N LEU A 76 -0.607 6.001 4.985 1.00 44.45 N ATOM 1134 CA LEU A 76 0.512 6.953 4.918 1.00 31.22 C ATOM 1135 C LEU A 76 1.840 6.179 5.000 1.00 44.40 C ATOM 1136 O LEU A 76 2.307 5.835 6.090 1.00 21.32 O ATOM 1137 CB LEU A 76 0.423 7.992 6.072 1.00 71.12 C ATOM 1138 CG LEU A 76 -0.912 8.788 6.196 1.00 54.31 C ATOM 1139 CD1 LEU A 76 -0.859 9.772 7.387 1.00 31.42 C ATOM 1140 CD2 LEU A 76 -1.266 9.517 4.878 1.00 41.43 C ATOM 0 H LEU A 76 -1.079 5.977 5.889 1.00 44.45 H new ATOM 0 HA LEU A 76 0.462 7.495 3.973 1.00 31.22 H new ATOM 0 HB2 LEU A 76 0.597 7.471 7.013 1.00 71.12 H new ATOM 0 HB3 LEU A 76 1.236 8.708 5.949 1.00 71.12 H new ATOM 0 HG LEU A 76 -1.708 8.069 6.390 1.00 54.31 H new ATOM 0 HD11 LEU A 76 -1.802 10.315 7.452 1.00 31.42 H new ATOM 0 HD12 LEU A 76 -0.695 9.217 8.311 1.00 31.42 H new ATOM 0 HD13 LEU A 76 -0.042 10.479 7.239 1.00 31.42 H new ATOM 0 HD21 LEU A 76 -2.202 10.061 5.003 1.00 41.43 H new ATOM 0 HD22 LEU A 76 -0.470 10.218 4.625 1.00 41.43 H new ATOM 0 HD23 LEU A 76 -1.375 8.787 4.076 1.00 41.43 H new ATOM 1152 N VAL A 77 2.407 5.842 3.838 1.00 64.53 N ATOM 1153 CA VAL A 77 3.708 5.163 3.774 1.00 34.54 C ATOM 1154 C VAL A 77 4.838 6.201 3.826 1.00 52.50 C ATOM 1155 O VAL A 77 5.147 6.874 2.839 1.00 15.35 O ATOM 1156 CB VAL A 77 3.814 4.239 2.517 1.00 25.41 C ATOM 1157 CG1 VAL A 77 5.237 3.633 2.358 1.00 50.21 C ATOM 1158 CG2 VAL A 77 2.729 3.131 2.595 1.00 31.32 C ATOM 0 H VAL A 77 1.987 6.028 2.927 1.00 64.53 H new ATOM 0 HA VAL A 77 3.806 4.510 4.641 1.00 34.54 H new ATOM 0 HB VAL A 77 3.638 4.845 1.628 1.00 25.41 H new ATOM 0 HG11 VAL A 77 5.265 2.998 1.472 1.00 50.21 H new ATOM 0 HG12 VAL A 77 5.965 4.437 2.251 1.00 50.21 H new ATOM 0 HG13 VAL A 77 5.480 3.038 3.239 1.00 50.21 H new ATOM 0 HG21 VAL A 77 2.803 2.487 1.719 1.00 31.32 H new ATOM 0 HG22 VAL A 77 2.880 2.537 3.496 1.00 31.32 H new ATOM 0 HG23 VAL A 77 1.741 3.591 2.625 1.00 31.32 H new ATOM 1168 N SER A 78 5.407 6.346 5.021 1.00 31.23 N ATOM 1169 CA SER A 78 6.500 7.276 5.292 1.00 25.15 C ATOM 1170 C SER A 78 7.848 6.544 5.192 1.00 2.41 C ATOM 1171 O SER A 78 8.173 5.718 6.053 1.00 1.43 O ATOM 1172 CB SER A 78 6.308 7.894 6.702 1.00 73.13 C ATOM 1173 OG SER A 78 6.243 6.906 7.731 1.00 64.10 O ATOM 0 H SER A 78 5.117 5.812 5.840 1.00 31.23 H new ATOM 0 HA SER A 78 6.495 8.078 4.554 1.00 25.15 H new ATOM 0 HB2 SER A 78 7.132 8.577 6.911 1.00 73.13 H new ATOM 0 HB3 SER A 78 5.393 8.486 6.714 1.00 73.13 H new ATOM 0 HG SER A 78 6.917 6.215 7.564 1.00 64.10 H new ATOM 1179 N VAL A 79 8.633 6.832 4.133 1.00 0.23 N ATOM 1180 CA VAL A 79 10.003 6.297 4.018 1.00 24.31 C ATOM 1181 C VAL A 79 10.934 7.206 4.854 1.00 30.15 C ATOM 1182 O VAL A 79 11.223 8.349 4.481 1.00 32.33 O ATOM 1183 CB VAL A 79 10.510 6.195 2.524 1.00 33.45 C ATOM 1184 CG1 VAL A 79 11.964 5.652 2.459 1.00 31.31 C ATOM 1185 CG2 VAL A 79 9.559 5.318 1.662 1.00 54.01 C ATOM 0 H VAL A 79 8.345 7.425 3.355 1.00 0.23 H new ATOM 0 HA VAL A 79 10.010 5.274 4.395 1.00 24.31 H new ATOM 0 HB VAL A 79 10.506 7.203 2.110 1.00 33.45 H new ATOM 0 HG11 VAL A 79 12.284 5.593 1.419 1.00 31.31 H new ATOM 0 HG12 VAL A 79 12.627 6.322 3.006 1.00 31.31 H new ATOM 0 HG13 VAL A 79 12.002 4.659 2.907 1.00 31.31 H new ATOM 0 HG21 VAL A 79 9.936 5.268 0.640 1.00 54.01 H new ATOM 0 HG22 VAL A 79 9.512 4.313 2.081 1.00 54.01 H new ATOM 0 HG23 VAL A 79 8.561 5.757 1.660 1.00 54.01 H new ATOM 1195 N GLU A 80 11.352 6.676 6.006 1.00 53.12 N ATOM 1196 CA GLU A 80 12.126 7.403 7.027 1.00 41.13 C ATOM 1197 C GLU A 80 12.923 6.405 7.890 1.00 43.34 C ATOM 1198 O GLU A 80 12.863 5.191 7.652 1.00 44.13 O ATOM 1199 CB GLU A 80 11.167 8.262 7.913 1.00 60.01 C ATOM 1200 CG GLU A 80 10.014 7.467 8.562 1.00 65.41 C ATOM 1201 CD GLU A 80 9.046 8.330 9.391 1.00 31.45 C ATOM 1202 OE1 GLU A 80 8.456 9.274 8.828 1.00 23.52 O ATOM 1203 OE2 GLU A 80 8.837 8.045 10.593 1.00 63.22 O ATOM 0 H GLU A 80 11.160 5.708 6.265 1.00 53.12 H new ATOM 0 HA GLU A 80 12.831 8.073 6.535 1.00 41.13 H new ATOM 0 HB2 GLU A 80 11.750 8.740 8.700 1.00 60.01 H new ATOM 0 HB3 GLU A 80 10.743 9.059 7.301 1.00 60.01 H new ATOM 0 HG2 GLU A 80 9.451 6.959 7.779 1.00 65.41 H new ATOM 0 HG3 GLU A 80 10.436 6.694 9.204 1.00 65.41 H new ATOM 1210 N GLU A 81 13.651 6.935 8.897 1.00 42.21 N ATOM 1211 CA GLU A 81 14.547 6.137 9.771 1.00 44.01 C ATOM 1212 C GLU A 81 15.636 5.400 8.917 1.00 0.33 C ATOM 1213 O GLU A 81 15.526 4.199 8.647 1.00 4.44 O ATOM 1214 CB GLU A 81 13.720 5.160 10.671 1.00 2.22 C ATOM 1215 CG GLU A 81 14.556 4.274 11.615 1.00 1.32 C ATOM 1216 CD GLU A 81 13.717 3.339 12.505 1.00 0.23 C ATOM 1217 OE1 GLU A 81 12.740 2.730 12.007 1.00 61.02 O ATOM 1218 OE2 GLU A 81 14.023 3.208 13.707 1.00 25.14 O ATOM 0 H GLU A 81 13.636 7.928 9.129 1.00 42.21 H new ATOM 0 HA GLU A 81 15.076 6.810 10.446 1.00 44.01 H new ATOM 0 HB2 GLU A 81 13.023 5.745 11.270 1.00 2.22 H new ATOM 0 HB3 GLU A 81 13.123 4.515 10.027 1.00 2.22 H new ATOM 0 HG2 GLU A 81 15.242 3.672 11.019 1.00 1.32 H new ATOM 0 HG3 GLU A 81 15.166 4.915 12.252 1.00 1.32 H new ATOM 1225 N PRO A 82 16.680 6.143 8.415 1.00 34.22 N ATOM 1226 CA PRO A 82 17.727 5.577 7.539 1.00 3.03 C ATOM 1227 C PRO A 82 18.937 4.959 8.329 1.00 14.11 C ATOM 1228 O PRO A 82 18.993 3.716 8.477 1.00 37.28 O ATOM 1229 CB PRO A 82 18.112 6.803 6.665 1.00 72.02 C ATOM 1230 CG PRO A 82 17.825 8.027 7.504 1.00 11.00 C ATOM 1231 CD PRO A 82 16.908 7.594 8.646 1.00 72.23 C ATOM 1232 OXT PRO A 82 19.815 5.717 8.810 1.00 37.28 O ATOM 0 HA PRO A 82 17.388 4.722 6.954 1.00 3.03 H new ATOM 0 HB2 PRO A 82 19.164 6.764 6.381 1.00 72.02 H new ATOM 0 HB3 PRO A 82 17.533 6.820 5.742 1.00 72.02 H new ATOM 0 HG2 PRO A 82 18.751 8.450 7.894 1.00 11.00 H new ATOM 0 HG3 PRO A 82 17.349 8.802 6.903 1.00 11.00 H new ATOM 0 HD2 PRO A 82 17.372 7.773 9.616 1.00 72.23 H new ATOM 0 HD3 PRO A 82 15.970 8.149 8.634 1.00 72.23 H new