USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 721 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 Set 1.1: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 56 SER OG : rot -147:sc= 1.04 USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 1.05 USER MOD Set 2.2: A 60 THR OG1 : rot -71:sc= 1.24 USER MOD Single : A 1 ALA N :NH3+ 168:sc= 1.17 (180deg=1) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0401 USER MOD Single : A 24 LYS NZ :NH3+ -152:sc= 2.36 (180deg=0.208) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 1.29 (180deg=1.22) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0654) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 18:sc= -0.735 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.5! C(o=-1.5!,f=-10!) USER MOD Single : A 50 SER OG : rot -50:sc= 0.934 USER MOD Single : A 57 LYS NZ :NH3+ 158:sc= 1.23 (180deg=1.04) USER MOD Single : A 64 LYS NZ :NH3+ -177:sc= -0.6 (180deg=-0.622) USER MOD Single : A 68 SER OG : rot -20:sc= -0.942 USER MOD Single : A 71 LYS NZ :NH3+ -150:sc= 1.08 (180deg=1) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 10:sc= -0.885! USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.319 X(o=-0.32,f=-0.37) USER MOD Single : A 88 HIS : no HD1:sc= -0.445 X(o=-0.45,f=-0.21) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.775 -9.084 -13.722 1.00 5.43 N ATOM 2 CA ALA A 1 11.070 -8.966 -14.429 1.00 70.43 C ATOM 3 C ALA A 1 11.279 -7.545 -14.959 1.00 64.31 C ATOM 4 O ALA A 1 11.849 -7.347 -16.033 1.00 11.34 O ATOM 5 CB ALA A 1 11.134 -9.975 -15.568 1.00 13.44 C ATOM 0 H1 ALA A 1 9.563 -10.088 -13.552 1.00 5.43 H new ATOM 0 H2 ALA A 1 9.829 -8.582 -12.813 1.00 5.43 H new ATOM 0 H3 ALA A 1 9.022 -8.665 -14.304 1.00 5.43 H new ATOM 0 HA ALA A 1 11.870 -9.180 -13.721 1.00 70.43 H new ATOM 0 HB1 ALA A 1 12.090 -9.882 -16.083 1.00 13.44 H new ATOM 0 HB2 ALA A 1 11.035 -10.984 -15.167 1.00 13.44 H new ATOM 0 HB3 ALA A 1 10.323 -9.783 -16.270 1.00 13.44 H new ATOM 13 N GLY A 2 10.823 -6.561 -14.193 1.00 23.52 N ATOM 14 CA GLY A 2 11.061 -5.172 -14.530 1.00 43.34 C ATOM 15 C GLY A 2 11.936 -4.523 -13.482 1.00 22.33 C ATOM 16 O GLY A 2 11.441 -3.849 -12.578 1.00 43.52 O ATOM 0 H GLY A 2 10.288 -6.704 -13.337 1.00 23.52 H new ATOM 0 HA2 GLY A 2 11.540 -5.104 -15.507 1.00 43.34 H new ATOM 0 HA3 GLY A 2 10.112 -4.640 -14.602 1.00 43.34 H new ATOM 20 N GLU A 3 13.236 -4.743 -13.595 1.00 61.53 N ATOM 21 CA GLU A 3 14.169 -4.364 -12.571 1.00 15.33 C ATOM 22 C GLU A 3 14.389 -2.859 -12.491 1.00 0.23 C ATOM 23 O GLU A 3 15.163 -2.275 -13.251 1.00 42.30 O ATOM 24 CB GLU A 3 15.476 -5.096 -12.800 1.00 23.51 C ATOM 25 CG GLU A 3 15.431 -6.535 -12.324 1.00 64.24 C ATOM 26 CD GLU A 3 16.691 -7.303 -12.650 1.00 62.31 C ATOM 27 OE1 GLU A 3 17.665 -7.212 -11.876 1.00 12.05 O ATOM 28 OE2 GLU A 3 16.706 -8.017 -13.673 1.00 12.03 O ATOM 0 H GLU A 3 13.665 -5.191 -14.405 1.00 61.53 H new ATOM 0 HA GLU A 3 13.745 -4.650 -11.608 1.00 15.33 H new ATOM 0 HB2 GLU A 3 15.717 -5.076 -13.863 1.00 23.51 H new ATOM 0 HB3 GLU A 3 16.278 -4.571 -12.281 1.00 23.51 H new ATOM 0 HG2 GLU A 3 15.271 -6.551 -11.246 1.00 64.24 H new ATOM 0 HG3 GLU A 3 14.578 -7.037 -12.780 1.00 64.24 H new ATOM 35 N ILE A 4 13.665 -2.253 -11.571 1.00 31.32 N ATOM 36 CA ILE A 4 13.884 -0.874 -11.172 1.00 43.34 C ATOM 37 C ILE A 4 14.968 -0.876 -10.092 1.00 13.23 C ATOM 38 O ILE A 4 15.357 -1.952 -9.631 1.00 34.54 O ATOM 39 CB ILE A 4 12.579 -0.228 -10.635 1.00 24.11 C ATOM 40 CG1 ILE A 4 11.400 -0.578 -11.551 1.00 62.02 C ATOM 41 CG2 ILE A 4 12.724 1.288 -10.526 1.00 52.30 C ATOM 42 CD1 ILE A 4 10.064 -0.061 -11.055 1.00 74.41 C ATOM 0 H ILE A 4 12.900 -2.708 -11.073 1.00 31.32 H new ATOM 0 HA ILE A 4 14.197 -0.282 -12.032 1.00 43.34 H new ATOM 0 HB ILE A 4 12.388 -0.626 -9.638 1.00 24.11 H new ATOM 0 HG12 ILE A 4 11.590 -0.171 -12.544 1.00 62.02 H new ATOM 0 HG13 ILE A 4 11.343 -1.661 -11.656 1.00 62.02 H new ATOM 0 HG21 ILE A 4 11.796 1.716 -10.147 1.00 52.30 H new ATOM 0 HG22 ILE A 4 13.539 1.527 -9.843 1.00 52.30 H new ATOM 0 HG23 ILE A 4 12.941 1.704 -11.510 1.00 52.30 H new ATOM 0 HD11 ILE A 4 9.280 -0.348 -11.756 1.00 74.41 H new ATOM 0 HD12 ILE A 4 9.850 -0.488 -10.075 1.00 74.41 H new ATOM 0 HD13 ILE A 4 10.101 1.026 -10.977 1.00 74.41 H new ATOM 54 N GLY A 5 15.488 0.296 -9.729 1.00 20.44 N ATOM 55 CA GLY A 5 16.545 0.390 -8.724 1.00 74.00 C ATOM 56 C GLY A 5 16.095 0.013 -7.317 1.00 44.41 C ATOM 57 O GLY A 5 16.258 0.782 -6.369 1.00 72.45 O ATOM 0 H GLY A 5 15.194 1.193 -10.116 1.00 20.44 H new ATOM 0 HA2 GLY A 5 17.370 -0.259 -9.017 1.00 74.00 H new ATOM 0 HA3 GLY A 5 16.931 1.409 -8.711 1.00 74.00 H new ATOM 61 N PHE A 6 15.524 -1.169 -7.201 1.00 54.32 N ATOM 62 CA PHE A 6 15.137 -1.747 -5.925 1.00 73.21 C ATOM 63 C PHE A 6 15.793 -3.114 -5.775 1.00 35.51 C ATOM 64 O PHE A 6 16.347 -3.653 -6.740 1.00 44.55 O ATOM 65 CB PHE A 6 13.615 -1.902 -5.836 1.00 24.11 C ATOM 66 CG PHE A 6 12.850 -0.617 -5.981 1.00 74.23 C ATOM 67 CD1 PHE A 6 12.940 0.372 -5.018 1.00 4.41 C ATOM 68 CD2 PHE A 6 12.035 -0.406 -7.081 1.00 65.44 C ATOM 69 CE1 PHE A 6 12.232 1.550 -5.150 1.00 2.21 C ATOM 70 CE2 PHE A 6 11.322 0.769 -7.218 1.00 53.33 C ATOM 71 CZ PHE A 6 11.421 1.749 -6.253 1.00 53.04 C ATOM 0 H PHE A 6 15.312 -1.765 -8.001 1.00 54.32 H new ATOM 0 HA PHE A 6 15.465 -1.082 -5.126 1.00 73.21 H new ATOM 0 HB2 PHE A 6 13.287 -2.595 -6.611 1.00 24.11 H new ATOM 0 HB3 PHE A 6 13.364 -2.354 -4.876 1.00 24.11 H new ATOM 0 HD1 PHE A 6 13.570 0.221 -4.154 1.00 4.41 H new ATOM 0 HD2 PHE A 6 11.956 -1.170 -7.841 1.00 65.44 H new ATOM 0 HE1 PHE A 6 12.311 2.316 -4.393 1.00 2.21 H new ATOM 0 HE2 PHE A 6 10.688 0.920 -8.079 1.00 53.33 H new ATOM 0 HZ PHE A 6 10.867 2.670 -6.358 1.00 53.04 H new ATOM 81 N ILE A 7 15.742 -3.670 -4.574 1.00 63.20 N ATOM 82 CA ILE A 7 16.295 -4.995 -4.323 1.00 71.13 C ATOM 83 C ILE A 7 15.333 -6.082 -4.803 1.00 71.12 C ATOM 84 O ILE A 7 15.682 -6.905 -5.650 1.00 11.21 O ATOM 85 CB ILE A 7 16.594 -5.201 -2.822 1.00 54.24 C ATOM 86 CG1 ILE A 7 17.494 -4.077 -2.297 1.00 64.24 C ATOM 87 CG2 ILE A 7 17.239 -6.563 -2.586 1.00 44.21 C ATOM 88 CD1 ILE A 7 18.867 -4.036 -2.938 1.00 25.32 C ATOM 0 H ILE A 7 15.324 -3.225 -3.757 1.00 63.20 H new ATOM 0 HA ILE A 7 17.229 -5.069 -4.880 1.00 71.13 H new ATOM 0 HB ILE A 7 15.652 -5.171 -2.274 1.00 54.24 H new ATOM 0 HG12 ILE A 7 16.998 -3.121 -2.463 1.00 64.24 H new ATOM 0 HG13 ILE A 7 17.611 -4.192 -1.219 1.00 64.24 H new ATOM 0 HG21 ILE A 7 17.442 -6.690 -1.523 1.00 44.21 H new ATOM 0 HG22 ILE A 7 16.563 -7.349 -2.923 1.00 44.21 H new ATOM 0 HG23 ILE A 7 18.173 -6.625 -3.144 1.00 44.21 H new ATOM 0 HD11 ILE A 7 19.443 -3.214 -2.513 1.00 25.32 H new ATOM 0 HD12 ILE A 7 19.385 -4.977 -2.750 1.00 25.32 H new ATOM 0 HD13 ILE A 7 18.762 -3.888 -4.013 1.00 25.32 H new ATOM 100 N ILE A 8 14.121 -6.070 -4.265 1.00 53.40 N ATOM 101 CA ILE A 8 13.115 -7.072 -4.598 1.00 23.32 C ATOM 102 C ILE A 8 12.422 -6.746 -5.922 1.00 10.43 C ATOM 103 O ILE A 8 12.091 -5.588 -6.197 1.00 71.24 O ATOM 104 CB ILE A 8 12.062 -7.190 -3.470 1.00 11.33 C ATOM 105 CG1 ILE A 8 12.742 -7.602 -2.163 1.00 45.24 C ATOM 106 CG2 ILE A 8 10.974 -8.192 -3.832 1.00 53.12 C ATOM 107 CD1 ILE A 8 11.802 -7.677 -0.979 1.00 74.53 C ATOM 0 H ILE A 8 13.808 -5.372 -3.591 1.00 53.40 H new ATOM 0 HA ILE A 8 13.629 -8.027 -4.704 1.00 23.32 H new ATOM 0 HB ILE A 8 11.592 -6.215 -3.341 1.00 11.33 H new ATOM 0 HG12 ILE A 8 13.214 -8.575 -2.302 1.00 45.24 H new ATOM 0 HG13 ILE A 8 13.537 -6.891 -1.939 1.00 45.24 H new ATOM 0 HG21 ILE A 8 10.250 -8.252 -3.020 1.00 53.12 H new ATOM 0 HG22 ILE A 8 10.471 -7.869 -4.744 1.00 53.12 H new ATOM 0 HG23 ILE A 8 11.421 -9.173 -3.992 1.00 53.12 H new ATOM 0 HD11 ILE A 8 12.359 -7.975 -0.091 1.00 74.53 H new ATOM 0 HD12 ILE A 8 11.348 -6.700 -0.812 1.00 74.53 H new ATOM 0 HD13 ILE A 8 11.021 -8.410 -1.181 1.00 74.53 H new ATOM 119 N LYS A 9 12.220 -7.772 -6.740 1.00 51.42 N ATOM 120 CA LYS A 9 11.535 -7.629 -8.015 1.00 25.42 C ATOM 121 C LYS A 9 10.129 -8.221 -7.941 1.00 61.52 C ATOM 122 O LYS A 9 9.643 -8.542 -6.857 1.00 12.53 O ATOM 123 CB LYS A 9 12.351 -8.282 -9.134 1.00 45.23 C ATOM 124 CG LYS A 9 13.062 -9.559 -8.720 1.00 50.12 C ATOM 125 CD LYS A 9 13.865 -10.145 -9.867 1.00 34.30 C ATOM 126 CE LYS A 9 14.797 -11.244 -9.386 1.00 31.31 C ATOM 127 NZ LYS A 9 15.535 -11.875 -10.513 1.00 13.30 N ATOM 0 H LYS A 9 12.526 -8.724 -6.537 1.00 51.42 H new ATOM 0 HA LYS A 9 11.438 -6.567 -8.241 1.00 25.42 H new ATOM 0 HB2 LYS A 9 11.688 -8.503 -9.971 1.00 45.23 H new ATOM 0 HB3 LYS A 9 13.091 -7.567 -9.494 1.00 45.23 H new ATOM 0 HG2 LYS A 9 13.724 -9.352 -7.879 1.00 50.12 H new ATOM 0 HG3 LYS A 9 12.330 -10.290 -8.377 1.00 50.12 H new ATOM 0 HD2 LYS A 9 13.187 -10.545 -10.621 1.00 34.30 H new ATOM 0 HD3 LYS A 9 14.446 -9.357 -10.346 1.00 34.30 H new ATOM 0 HE2 LYS A 9 15.509 -10.830 -8.672 1.00 31.31 H new ATOM 0 HE3 LYS A 9 14.221 -12.004 -8.858 1.00 31.31 H new ATOM 0 HZ1 LYS A 9 16.160 -12.620 -10.145 1.00 13.30 H new ATOM 0 HZ2 LYS A 9 14.857 -12.292 -11.182 1.00 13.30 H new ATOM 0 HZ3 LYS A 9 16.105 -11.155 -11.001 1.00 13.30 H new ATOM 141 N GLU A 10 9.478 -8.345 -9.091 1.00 24.42 N ATOM 142 CA GLU A 10 8.107 -8.816 -9.149 1.00 32.34 C ATOM 143 C GLU A 10 8.008 -10.284 -8.747 1.00 73.20 C ATOM 144 O GLU A 10 9.007 -11.009 -8.756 1.00 44.30 O ATOM 145 CB GLU A 10 7.549 -8.638 -10.562 1.00 22.12 C ATOM 146 CG GLU A 10 7.426 -7.193 -11.024 1.00 2.31 C ATOM 147 CD GLU A 10 8.767 -6.531 -11.255 1.00 13.12 C ATOM 148 OE1 GLU A 10 9.615 -7.138 -11.941 1.00 31.13 O ATOM 149 OE2 GLU A 10 8.975 -5.408 -10.752 1.00 61.35 O ATOM 0 H GLU A 10 9.884 -8.123 -10.000 1.00 24.42 H new ATOM 0 HA GLU A 10 7.522 -8.224 -8.445 1.00 32.34 H new ATOM 0 HB2 GLU A 10 8.191 -9.174 -11.261 1.00 22.12 H new ATOM 0 HB3 GLU A 10 6.565 -9.105 -10.610 1.00 22.12 H new ATOM 0 HG2 GLU A 10 6.847 -7.160 -11.947 1.00 2.31 H new ATOM 0 HG3 GLU A 10 6.870 -6.625 -10.278 1.00 2.31 H new ATOM 156 N GLY A 11 6.794 -10.717 -8.435 1.00 54.22 N ATOM 157 CA GLY A 11 6.559 -12.083 -8.030 1.00 75.12 C ATOM 158 C GLY A 11 5.121 -12.295 -7.606 1.00 32.12 C ATOM 159 O GLY A 11 4.358 -11.332 -7.488 1.00 0.23 O ATOM 0 H GLY A 11 5.958 -10.134 -8.457 1.00 54.22 H new ATOM 0 HA2 GLY A 11 6.800 -12.755 -8.854 1.00 75.12 H new ATOM 0 HA3 GLY A 11 7.224 -12.339 -7.205 1.00 75.12 H new ATOM 163 N ASP A 12 4.750 -13.543 -7.365 1.00 2.33 N ATOM 164 CA ASP A 12 3.383 -13.884 -6.975 1.00 1.50 C ATOM 165 C ASP A 12 3.127 -13.546 -5.516 1.00 10.21 C ATOM 166 O ASP A 12 1.995 -13.276 -5.116 1.00 3.14 O ATOM 167 CB ASP A 12 3.094 -15.370 -7.215 1.00 20.33 C ATOM 168 CG ASP A 12 2.754 -15.683 -8.655 1.00 42.22 C ATOM 169 OD1 ASP A 12 1.611 -15.403 -9.072 1.00 1.22 O ATOM 170 OD2 ASP A 12 3.619 -16.229 -9.372 1.00 1.43 O ATOM 0 H ASP A 12 5.378 -14.344 -7.432 1.00 2.33 H new ATOM 0 HA ASP A 12 2.714 -13.289 -7.597 1.00 1.50 H new ATOM 0 HB2 ASP A 12 3.964 -15.956 -6.918 1.00 20.33 H new ATOM 0 HB3 ASP A 12 2.267 -15.681 -6.577 1.00 20.33 H new ATOM 175 N GLU A 13 4.181 -13.572 -4.722 1.00 23.41 N ATOM 176 CA GLU A 13 4.077 -13.255 -3.303 1.00 35.01 C ATOM 177 C GLU A 13 4.509 -11.817 -3.042 1.00 32.15 C ATOM 178 O GLU A 13 4.561 -11.368 -1.898 1.00 21.02 O ATOM 179 CB GLU A 13 4.924 -14.220 -2.458 1.00 43.25 C ATOM 180 CG GLU A 13 6.417 -14.167 -2.753 1.00 11.01 C ATOM 181 CD GLU A 13 6.814 -14.967 -3.977 1.00 40.55 C ATOM 182 OE1 GLU A 13 6.656 -14.461 -5.105 1.00 52.40 O ATOM 183 OE2 GLU A 13 7.285 -16.111 -3.810 1.00 21.22 O ATOM 0 H GLU A 13 5.123 -13.810 -5.033 1.00 23.41 H new ATOM 0 HA GLU A 13 3.033 -13.368 -3.012 1.00 35.01 H new ATOM 0 HB2 GLU A 13 4.766 -13.995 -1.403 1.00 43.25 H new ATOM 0 HB3 GLU A 13 4.569 -15.237 -2.624 1.00 43.25 H new ATOM 0 HG2 GLU A 13 6.716 -13.128 -2.894 1.00 11.01 H new ATOM 0 HG3 GLU A 13 6.965 -14.542 -1.889 1.00 11.01 H new ATOM 190 N VAL A 14 4.809 -11.099 -4.111 1.00 55.32 N ATOM 191 CA VAL A 14 5.256 -9.721 -4.002 1.00 21.51 C ATOM 192 C VAL A 14 4.162 -8.769 -4.463 1.00 12.44 C ATOM 193 O VAL A 14 3.703 -8.839 -5.604 1.00 1.34 O ATOM 194 CB VAL A 14 6.530 -9.474 -4.841 1.00 11.22 C ATOM 195 CG1 VAL A 14 7.045 -8.057 -4.634 1.00 60.31 C ATOM 196 CG2 VAL A 14 7.611 -10.492 -4.495 1.00 53.15 C ATOM 0 H VAL A 14 4.751 -11.449 -5.067 1.00 55.32 H new ATOM 0 HA VAL A 14 5.486 -9.535 -2.953 1.00 21.51 H new ATOM 0 HB VAL A 14 6.271 -9.594 -5.893 1.00 11.22 H new ATOM 0 HG11 VAL A 14 7.942 -7.905 -5.234 1.00 60.31 H new ATOM 0 HG12 VAL A 14 6.279 -7.343 -4.939 1.00 60.31 H new ATOM 0 HG13 VAL A 14 7.283 -7.906 -3.581 1.00 60.31 H new ATOM 0 HG21 VAL A 14 8.499 -10.299 -5.097 1.00 53.15 H new ATOM 0 HG22 VAL A 14 7.865 -10.408 -3.438 1.00 53.15 H new ATOM 0 HG23 VAL A 14 7.244 -11.497 -4.702 1.00 53.15 H new ATOM 206 N ALA A 15 3.736 -7.892 -3.569 1.00 74.24 N ATOM 207 CA ALA A 15 2.750 -6.882 -3.910 1.00 64.31 C ATOM 208 C ALA A 15 3.372 -5.499 -3.842 1.00 23.41 C ATOM 209 O ALA A 15 3.625 -4.975 -2.756 1.00 24.11 O ATOM 210 CB ALA A 15 1.541 -6.963 -2.983 1.00 62.12 C ATOM 0 H ALA A 15 4.058 -7.860 -2.602 1.00 74.24 H new ATOM 0 HA ALA A 15 2.410 -7.069 -4.929 1.00 64.31 H new ATOM 0 HB1 ALA A 15 0.818 -6.196 -3.260 1.00 62.12 H new ATOM 0 HB2 ALA A 15 1.079 -7.946 -3.073 1.00 62.12 H new ATOM 0 HB3 ALA A 15 1.861 -6.805 -1.953 1.00 62.12 H new ATOM 216 N ASP A 16 3.653 -4.919 -5.001 1.00 20.34 N ATOM 217 CA ASP A 16 4.147 -3.558 -5.056 1.00 3.14 C ATOM 218 C ASP A 16 3.009 -2.602 -5.310 1.00 52.01 C ATOM 219 O ASP A 16 2.199 -2.791 -6.222 1.00 44.31 O ATOM 220 CB ASP A 16 5.242 -3.373 -6.108 1.00 74.04 C ATOM 221 CG ASP A 16 4.837 -3.787 -7.506 1.00 71.42 C ATOM 222 OD1 ASP A 16 4.968 -4.983 -7.836 1.00 12.24 O ATOM 223 OD2 ASP A 16 4.418 -2.916 -8.290 1.00 11.32 O ATOM 0 H ASP A 16 3.547 -5.371 -5.909 1.00 20.34 H new ATOM 0 HA ASP A 16 4.597 -3.340 -4.087 1.00 3.14 H new ATOM 0 HB2 ASP A 16 5.541 -2.325 -6.124 1.00 74.04 H new ATOM 0 HB3 ASP A 16 6.118 -3.950 -5.810 1.00 74.04 H new ATOM 228 N VAL A 17 2.940 -1.597 -4.472 1.00 0.42 N ATOM 229 CA VAL A 17 1.908 -0.590 -4.562 1.00 51.03 C ATOM 230 C VAL A 17 2.533 0.782 -4.474 1.00 24.11 C ATOM 231 O VAL A 17 3.386 1.042 -3.623 1.00 2.42 O ATOM 232 CB VAL A 17 0.863 -0.723 -3.433 1.00 63.12 C ATOM 233 CG1 VAL A 17 -0.326 0.197 -3.675 1.00 3.20 C ATOM 234 CG2 VAL A 17 0.401 -2.165 -3.270 1.00 54.02 C ATOM 0 H VAL A 17 3.598 -1.453 -3.706 1.00 0.42 H new ATOM 0 HA VAL A 17 1.402 -0.731 -5.517 1.00 51.03 H new ATOM 0 HB VAL A 17 1.346 -0.419 -2.504 1.00 63.12 H new ATOM 0 HG11 VAL A 17 -1.046 0.082 -2.864 1.00 3.20 H new ATOM 0 HG12 VAL A 17 0.016 1.231 -3.713 1.00 3.20 H new ATOM 0 HG13 VAL A 17 -0.801 -0.063 -4.621 1.00 3.20 H new ATOM 0 HG21 VAL A 17 -0.334 -2.223 -2.467 1.00 54.02 H new ATOM 0 HG22 VAL A 17 -0.050 -2.510 -4.200 1.00 54.02 H new ATOM 0 HG23 VAL A 17 1.256 -2.796 -3.025 1.00 54.02 H new ATOM 244 N THR A 18 2.119 1.644 -5.363 1.00 5.33 N ATOM 245 CA THR A 18 2.539 3.019 -5.335 1.00 50.35 C ATOM 246 C THR A 18 1.455 3.840 -4.654 1.00 15.22 C ATOM 247 O THR A 18 0.342 3.962 -5.165 1.00 40.32 O ATOM 248 CB THR A 18 2.801 3.543 -6.756 1.00 11.51 C ATOM 249 OG1 THR A 18 3.762 2.701 -7.407 1.00 65.35 O ATOM 250 CG2 THR A 18 3.316 4.974 -6.734 1.00 24.53 C ATOM 0 H THR A 18 1.482 1.414 -6.126 1.00 5.33 H new ATOM 0 HA THR A 18 3.473 3.103 -4.780 1.00 50.35 H new ATOM 0 HB THR A 18 1.858 3.529 -7.302 1.00 11.51 H new ATOM 0 HG1 THR A 18 3.928 3.034 -8.314 1.00 65.35 H new ATOM 0 HG21 THR A 18 3.491 5.313 -7.755 1.00 24.53 H new ATOM 0 HG22 THR A 18 2.577 5.619 -6.259 1.00 24.53 H new ATOM 0 HG23 THR A 18 4.249 5.016 -6.173 1.00 24.53 H new ATOM 258 N ILE A 19 1.770 4.380 -3.496 1.00 51.23 N ATOM 259 CA ILE A 19 0.779 5.086 -2.710 1.00 1.20 C ATOM 260 C ILE A 19 0.882 6.570 -2.989 1.00 35.10 C ATOM 261 O ILE A 19 1.978 7.121 -3.068 1.00 43.12 O ATOM 262 CB ILE A 19 0.964 4.851 -1.195 1.00 23.13 C ATOM 263 CG1 ILE A 19 1.190 3.362 -0.896 1.00 13.43 C ATOM 264 CG2 ILE A 19 -0.245 5.371 -0.426 1.00 53.34 C ATOM 265 CD1 ILE A 19 1.491 3.071 0.562 1.00 74.41 C ATOM 0 H ILE A 19 2.700 4.344 -3.079 1.00 51.23 H new ATOM 0 HA ILE A 19 -0.201 4.703 -2.996 1.00 1.20 H new ATOM 0 HB ILE A 19 1.847 5.401 -0.870 1.00 23.13 H new ATOM 0 HG12 ILE A 19 0.303 2.802 -1.193 1.00 13.43 H new ATOM 0 HG13 ILE A 19 2.016 2.999 -1.508 1.00 13.43 H new ATOM 0 HG21 ILE A 19 -0.100 5.198 0.640 1.00 53.34 H new ATOM 0 HG22 ILE A 19 -0.360 6.440 -0.608 1.00 53.34 H new ATOM 0 HG23 ILE A 19 -1.141 4.848 -0.760 1.00 53.34 H new ATOM 0 HD11 ILE A 19 1.639 1.999 0.696 1.00 74.41 H new ATOM 0 HD12 ILE A 19 2.395 3.602 0.860 1.00 74.41 H new ATOM 0 HD13 ILE A 19 0.656 3.402 1.179 1.00 74.41 H new ATOM 277 N PHE A 20 -0.263 7.197 -3.159 1.00 31.32 N ATOM 278 CA PHE A 20 -0.319 8.611 -3.461 1.00 1.11 C ATOM 279 C PHE A 20 -0.982 9.357 -2.321 1.00 22.30 C ATOM 280 O PHE A 20 -2.080 9.001 -1.884 1.00 43.13 O ATOM 281 CB PHE A 20 -1.108 8.874 -4.742 1.00 0.22 C ATOM 282 CG PHE A 20 -0.715 8.007 -5.907 1.00 41.11 C ATOM 283 CD1 PHE A 20 0.352 8.355 -6.717 1.00 31.14 C ATOM 284 CD2 PHE A 20 -1.421 6.848 -6.193 1.00 53.40 C ATOM 285 CE1 PHE A 20 0.711 7.564 -7.792 1.00 4.53 C ATOM 286 CE2 PHE A 20 -1.068 6.055 -7.268 1.00 74.44 C ATOM 287 CZ PHE A 20 0.000 6.412 -8.068 1.00 15.43 C ATOM 0 H PHE A 20 -1.175 6.745 -3.092 1.00 31.32 H new ATOM 0 HA PHE A 20 0.704 8.960 -3.598 1.00 1.11 H new ATOM 0 HB2 PHE A 20 -2.168 8.726 -4.537 1.00 0.22 H new ATOM 0 HB3 PHE A 20 -0.980 9.919 -5.024 1.00 0.22 H new ATOM 0 HD1 PHE A 20 0.911 9.255 -6.507 1.00 31.14 H new ATOM 0 HD2 PHE A 20 -2.255 6.562 -5.569 1.00 53.40 H new ATOM 0 HE1 PHE A 20 1.546 7.846 -8.416 1.00 4.53 H new ATOM 0 HE2 PHE A 20 -1.627 5.156 -7.483 1.00 74.44 H new ATOM 0 HZ PHE A 20 0.279 5.792 -8.907 1.00 15.43 H new ATOM 297 N ALA A 21 -0.308 10.377 -1.845 1.00 40.13 N ATOM 298 CA ALA A 21 -0.844 11.238 -0.809 1.00 51.23 C ATOM 299 C ALA A 21 -0.619 12.692 -1.181 1.00 35.33 C ATOM 300 O ALA A 21 -0.055 12.985 -2.234 1.00 34.32 O ATOM 301 CB ALA A 21 -0.207 10.919 0.533 1.00 1.23 C ATOM 0 H ALA A 21 0.626 10.636 -2.162 1.00 40.13 H new ATOM 0 HA ALA A 21 -1.916 11.062 -0.722 1.00 51.23 H new ATOM 0 HB1 ALA A 21 -0.622 11.575 1.298 1.00 1.23 H new ATOM 0 HB2 ALA A 21 -0.412 9.881 0.795 1.00 1.23 H new ATOM 0 HB3 ALA A 21 0.870 11.071 0.470 1.00 1.23 H new ATOM 307 N GLU A 22 -1.068 13.597 -0.331 1.00 32.52 N ATOM 308 CA GLU A 22 -0.906 15.015 -0.591 1.00 72.21 C ATOM 309 C GLU A 22 0.542 15.438 -0.365 1.00 25.13 C ATOM 310 O GLU A 22 1.113 16.187 -1.159 1.00 51.53 O ATOM 311 CB GLU A 22 -1.838 15.827 0.304 1.00 63.52 C ATOM 312 CG GLU A 22 -3.305 15.468 0.140 1.00 23.33 C ATOM 313 CD GLU A 22 -3.796 15.639 -1.282 1.00 63.00 C ATOM 314 OE1 GLU A 22 -4.165 16.774 -1.657 1.00 45.30 O ATOM 315 OE2 GLU A 22 -3.814 14.640 -2.034 1.00 70.34 O ATOM 0 H GLU A 22 -1.546 13.376 0.543 1.00 32.52 H new ATOM 0 HA GLU A 22 -1.165 15.207 -1.632 1.00 72.21 H new ATOM 0 HB2 GLU A 22 -1.550 15.677 1.345 1.00 63.52 H new ATOM 0 HB3 GLU A 22 -1.705 16.887 0.086 1.00 63.52 H new ATOM 0 HG2 GLU A 22 -3.458 14.434 0.450 1.00 23.33 H new ATOM 0 HG3 GLU A 22 -3.903 16.092 0.804 1.00 23.33 H new ATOM 322 N THR A 23 1.142 14.937 0.706 1.00 61.54 N ATOM 323 CA THR A 23 2.499 15.327 1.071 1.00 34.11 C ATOM 324 C THR A 23 3.329 14.125 1.504 1.00 1.02 C ATOM 325 O THR A 23 2.802 13.025 1.681 1.00 12.35 O ATOM 326 CB THR A 23 2.502 16.361 2.217 1.00 13.42 C ATOM 327 OG1 THR A 23 1.730 15.870 3.322 1.00 60.53 O ATOM 328 CG2 THR A 23 1.949 17.700 1.753 1.00 42.31 C ATOM 0 H THR A 23 0.712 14.261 1.337 1.00 61.54 H new ATOM 0 HA THR A 23 2.940 15.771 0.179 1.00 34.11 H new ATOM 0 HB THR A 23 3.534 16.512 2.534 1.00 13.42 H new ATOM 0 HG1 THR A 23 1.738 16.531 4.046 1.00 60.53 H new ATOM 0 HG21 THR A 23 1.964 18.407 2.582 1.00 42.31 H new ATOM 0 HG22 THR A 23 2.562 18.084 0.938 1.00 42.31 H new ATOM 0 HG23 THR A 23 0.924 17.570 1.406 1.00 42.31 H new ATOM 336 N LYS A 24 4.627 14.358 1.679 1.00 52.34 N ATOM 337 CA LYS A 24 5.552 13.345 2.177 1.00 74.54 C ATOM 338 C LYS A 24 5.089 12.828 3.538 1.00 45.34 C ATOM 339 O LYS A 24 5.135 11.631 3.815 1.00 41.44 O ATOM 340 CB LYS A 24 6.954 13.961 2.287 1.00 24.41 C ATOM 341 CG LYS A 24 8.065 12.979 2.634 1.00 25.10 C ATOM 342 CD LYS A 24 8.687 13.304 3.984 1.00 33.21 C ATOM 343 CE LYS A 24 7.855 12.749 5.125 1.00 30.01 C ATOM 344 NZ LYS A 24 8.204 13.350 6.436 1.00 52.21 N ATOM 0 H LYS A 24 5.067 15.256 1.479 1.00 52.34 H new ATOM 0 HA LYS A 24 5.578 12.503 1.486 1.00 74.54 H new ATOM 0 HB2 LYS A 24 7.198 14.442 1.340 1.00 24.41 H new ATOM 0 HB3 LYS A 24 6.932 14.744 3.045 1.00 24.41 H new ATOM 0 HG2 LYS A 24 7.665 11.965 2.650 1.00 25.10 H new ATOM 0 HG3 LYS A 24 8.833 13.007 1.861 1.00 25.10 H new ATOM 0 HD2 LYS A 24 9.694 12.890 4.031 1.00 33.21 H new ATOM 0 HD3 LYS A 24 8.781 14.385 4.092 1.00 33.21 H new ATOM 0 HE2 LYS A 24 6.799 12.926 4.919 1.00 30.01 H new ATOM 0 HE3 LYS A 24 7.993 11.669 5.177 1.00 30.01 H new ATOM 0 HZ1 LYS A 24 7.999 12.670 7.195 1.00 52.21 H new ATOM 0 HZ2 LYS A 24 9.216 13.589 6.450 1.00 52.21 H new ATOM 0 HZ3 LYS A 24 7.642 14.213 6.583 1.00 52.21 H new ATOM 358 N ASP A 25 4.644 13.746 4.385 1.00 13.25 N ATOM 359 CA ASP A 25 4.158 13.408 5.717 1.00 15.11 C ATOM 360 C ASP A 25 2.911 12.541 5.647 1.00 11.32 C ATOM 361 O ASP A 25 2.812 11.527 6.339 1.00 51.15 O ATOM 362 CB ASP A 25 3.856 14.685 6.492 1.00 11.32 C ATOM 363 CG ASP A 25 5.036 15.180 7.302 1.00 75.14 C ATOM 364 OD1 ASP A 25 6.186 15.085 6.823 1.00 61.13 O ATOM 365 OD2 ASP A 25 4.813 15.680 8.423 1.00 35.21 O ATOM 0 H ASP A 25 4.609 14.742 4.170 1.00 13.25 H new ATOM 0 HA ASP A 25 4.935 12.841 6.229 1.00 15.11 H new ATOM 0 HB2 ASP A 25 3.550 15.464 5.793 1.00 11.32 H new ATOM 0 HB3 ASP A 25 3.013 14.507 7.160 1.00 11.32 H new ATOM 370 N ALA A 26 1.961 12.940 4.808 1.00 4.01 N ATOM 371 CA ALA A 26 0.740 12.167 4.620 1.00 55.35 C ATOM 372 C ALA A 26 1.069 10.799 4.033 1.00 62.51 C ATOM 373 O ALA A 26 0.435 9.799 4.367 1.00 31.35 O ATOM 374 CB ALA A 26 -0.233 12.919 3.723 1.00 64.44 C ATOM 0 H ALA A 26 2.013 13.792 4.249 1.00 4.01 H new ATOM 0 HA ALA A 26 0.265 12.021 5.590 1.00 55.35 H new ATOM 0 HB1 ALA A 26 -1.139 12.328 3.593 1.00 64.44 H new ATOM 0 HB2 ALA A 26 -0.486 13.875 4.182 1.00 64.44 H new ATOM 0 HB3 ALA A 26 0.229 13.094 2.751 1.00 64.44 H new ATOM 380 N LEU A 27 2.075 10.771 3.168 1.00 45.32 N ATOM 381 CA LEU A 27 2.561 9.550 2.571 1.00 40.41 C ATOM 382 C LEU A 27 3.027 8.582 3.653 1.00 0.14 C ATOM 383 O LEU A 27 2.683 7.399 3.634 1.00 50.42 O ATOM 384 CB LEU A 27 3.720 9.903 1.645 1.00 21.52 C ATOM 385 CG LEU A 27 3.833 9.057 0.392 1.00 73.40 C ATOM 386 CD1 LEU A 27 2.668 9.316 -0.544 1.00 71.03 C ATOM 387 CD2 LEU A 27 5.159 9.319 -0.306 1.00 34.25 C ATOM 0 H LEU A 27 2.575 11.606 2.864 1.00 45.32 H new ATOM 0 HA LEU A 27 1.764 9.066 2.007 1.00 40.41 H new ATOM 0 HB2 LEU A 27 3.622 10.948 1.350 1.00 21.52 H new ATOM 0 HB3 LEU A 27 4.650 9.817 2.206 1.00 21.52 H new ATOM 0 HG LEU A 27 3.799 8.007 0.683 1.00 73.40 H new ATOM 0 HD11 LEU A 27 2.773 8.697 -1.435 1.00 71.03 H new ATOM 0 HD12 LEU A 27 1.734 9.070 -0.039 1.00 71.03 H new ATOM 0 HD13 LEU A 27 2.659 10.367 -0.832 1.00 71.03 H new ATOM 0 HD21 LEU A 27 5.225 8.704 -1.204 1.00 34.25 H new ATOM 0 HD22 LEU A 27 5.223 10.372 -0.581 1.00 34.25 H new ATOM 0 HD23 LEU A 27 5.980 9.069 0.366 1.00 34.25 H new ATOM 399 N GLU A 28 3.808 9.102 4.597 1.00 60.32 N ATOM 400 CA GLU A 28 4.271 8.325 5.736 1.00 61.04 C ATOM 401 C GLU A 28 3.106 7.783 6.557 1.00 25.12 C ATOM 402 O GLU A 28 3.128 6.632 6.992 1.00 24.02 O ATOM 403 CB GLU A 28 5.175 9.181 6.621 1.00 1.24 C ATOM 404 CG GLU A 28 6.614 9.246 6.147 1.00 74.20 C ATOM 405 CD GLU A 28 7.552 9.751 7.221 1.00 21.13 C ATOM 406 OE1 GLU A 28 7.513 10.959 7.534 1.00 62.51 O ATOM 407 OE2 GLU A 28 8.333 8.945 7.763 1.00 3.05 O ATOM 0 H GLU A 28 4.134 10.068 4.591 1.00 60.32 H new ATOM 0 HA GLU A 28 4.835 7.475 5.351 1.00 61.04 H new ATOM 0 HB2 GLU A 28 4.771 10.192 6.666 1.00 1.24 H new ATOM 0 HB3 GLU A 28 5.154 8.784 7.636 1.00 1.24 H new ATOM 0 HG2 GLU A 28 6.933 8.254 5.826 1.00 74.20 H new ATOM 0 HG3 GLU A 28 6.678 9.899 5.276 1.00 74.20 H new ATOM 414 N SER A 29 2.092 8.616 6.757 1.00 41.14 N ATOM 415 CA SER A 29 0.918 8.229 7.526 1.00 63.20 C ATOM 416 C SER A 29 0.238 7.023 6.889 1.00 51.12 C ATOM 417 O SER A 29 -0.009 6.007 7.548 1.00 24.11 O ATOM 418 CB SER A 29 -0.062 9.403 7.608 1.00 10.33 C ATOM 419 OG SER A 29 -1.131 9.125 8.493 1.00 52.24 O ATOM 0 H SER A 29 2.060 9.569 6.395 1.00 41.14 H new ATOM 0 HA SER A 29 1.234 7.957 8.533 1.00 63.20 H new ATOM 0 HB2 SER A 29 0.466 10.296 7.942 1.00 10.33 H new ATOM 0 HB3 SER A 29 -0.457 9.619 6.615 1.00 10.33 H new ATOM 0 HG SER A 29 -1.738 9.894 8.525 1.00 52.24 H new ATOM 425 N GLU A 30 -0.044 7.140 5.599 1.00 44.11 N ATOM 426 CA GLU A 30 -0.671 6.083 4.844 1.00 45.25 C ATOM 427 C GLU A 30 0.221 4.846 4.785 1.00 73.21 C ATOM 428 O GLU A 30 -0.253 3.723 4.942 1.00 52.02 O ATOM 429 CB GLU A 30 -0.975 6.601 3.442 1.00 13.54 C ATOM 430 CG GLU A 30 -2.040 7.688 3.413 1.00 44.43 C ATOM 431 CD GLU A 30 -3.300 7.287 4.154 1.00 34.31 C ATOM 432 OE1 GLU A 30 -4.042 6.416 3.653 1.00 2.13 O ATOM 433 OE2 GLU A 30 -3.562 7.846 5.240 1.00 34.54 O ATOM 0 H GLU A 30 0.159 7.976 5.052 1.00 44.11 H new ATOM 0 HA GLU A 30 -1.598 5.787 5.335 1.00 45.25 H new ATOM 0 HB2 GLU A 30 -0.058 6.991 3.001 1.00 13.54 H new ATOM 0 HB3 GLU A 30 -1.300 5.768 2.818 1.00 13.54 H new ATOM 0 HG2 GLU A 30 -1.637 8.599 3.855 1.00 44.43 H new ATOM 0 HG3 GLU A 30 -2.290 7.920 2.378 1.00 44.43 H new ATOM 440 N LEU A 31 1.515 5.065 4.587 1.00 10.20 N ATOM 441 CA LEU A 31 2.479 3.974 4.508 1.00 22.35 C ATOM 442 C LEU A 31 2.464 3.158 5.790 1.00 21.55 C ATOM 443 O LEU A 31 2.388 1.929 5.757 1.00 74.32 O ATOM 444 CB LEU A 31 3.886 4.523 4.281 1.00 51.44 C ATOM 445 CG LEU A 31 4.936 3.472 3.914 1.00 45.42 C ATOM 446 CD1 LEU A 31 4.638 2.868 2.551 1.00 21.04 C ATOM 447 CD2 LEU A 31 6.332 4.078 3.951 1.00 12.20 C ATOM 0 H LEU A 31 1.923 5.993 4.478 1.00 10.20 H new ATOM 0 HA LEU A 31 2.199 3.336 3.670 1.00 22.35 H new ATOM 0 HB2 LEU A 31 3.846 5.268 3.487 1.00 51.44 H new ATOM 0 HB3 LEU A 31 4.210 5.038 5.185 1.00 51.44 H new ATOM 0 HG LEU A 31 4.895 2.670 4.651 1.00 45.42 H new ATOM 0 HD11 LEU A 31 5.396 2.123 2.309 1.00 21.04 H new ATOM 0 HD12 LEU A 31 3.657 2.394 2.570 1.00 21.04 H new ATOM 0 HD13 LEU A 31 4.647 3.653 1.795 1.00 21.04 H new ATOM 0 HD21 LEU A 31 7.066 3.317 3.687 1.00 12.20 H new ATOM 0 HD22 LEU A 31 6.391 4.901 3.238 1.00 12.20 H new ATOM 0 HD23 LEU A 31 6.540 4.451 4.954 1.00 12.20 H new ATOM 459 N ALA A 32 2.528 3.858 6.915 1.00 14.52 N ATOM 460 CA ALA A 32 2.529 3.221 8.229 1.00 52.24 C ATOM 461 C ALA A 32 1.319 2.307 8.402 1.00 21.52 C ATOM 462 O ALA A 32 1.420 1.224 8.984 1.00 50.04 O ATOM 463 CB ALA A 32 2.557 4.273 9.329 1.00 53.40 C ATOM 0 H ALA A 32 2.580 4.876 6.945 1.00 14.52 H new ATOM 0 HA ALA A 32 3.428 2.608 8.303 1.00 52.24 H new ATOM 0 HB1 ALA A 32 2.557 3.782 10.302 1.00 53.40 H new ATOM 0 HB2 ALA A 32 3.456 4.880 9.229 1.00 53.40 H new ATOM 0 HB3 ALA A 32 1.677 4.911 9.245 1.00 53.40 H new ATOM 469 N LYS A 33 0.181 2.745 7.880 1.00 33.10 N ATOM 470 CA LYS A 33 -1.048 1.973 7.935 1.00 22.21 C ATOM 471 C LYS A 33 -0.921 0.683 7.134 1.00 61.33 C ATOM 472 O LYS A 33 -1.362 -0.380 7.571 1.00 52.11 O ATOM 473 CB LYS A 33 -2.197 2.811 7.387 1.00 23.43 C ATOM 474 CG LYS A 33 -2.438 4.098 8.152 1.00 3.03 C ATOM 475 CD LYS A 33 -3.468 4.961 7.454 1.00 12.32 C ATOM 476 CE LYS A 33 -3.695 6.270 8.186 1.00 65.14 C ATOM 477 NZ LYS A 33 -4.706 7.107 7.493 1.00 70.12 N ATOM 0 H LYS A 33 0.086 3.644 7.408 1.00 33.10 H new ATOM 0 HA LYS A 33 -1.246 1.709 8.974 1.00 22.21 H new ATOM 0 HB2 LYS A 33 -1.992 3.053 6.344 1.00 23.43 H new ATOM 0 HB3 LYS A 33 -3.109 2.214 7.403 1.00 23.43 H new ATOM 0 HG2 LYS A 33 -2.777 3.867 9.162 1.00 3.03 H new ATOM 0 HG3 LYS A 33 -1.502 4.649 8.248 1.00 3.03 H new ATOM 0 HD2 LYS A 33 -3.140 5.166 6.435 1.00 12.32 H new ATOM 0 HD3 LYS A 33 -4.410 4.417 7.382 1.00 12.32 H new ATOM 0 HE2 LYS A 33 -4.025 6.067 9.205 1.00 65.14 H new ATOM 0 HE3 LYS A 33 -2.755 6.817 8.258 1.00 65.14 H new ATOM 0 HZ1 LYS A 33 -4.742 8.047 7.937 1.00 70.12 H new ATOM 0 HZ2 LYS A 33 -4.446 7.207 6.491 1.00 70.12 H new ATOM 0 HZ3 LYS A 33 -5.640 6.655 7.565 1.00 70.12 H new ATOM 491 N TYR A 34 -0.309 0.779 5.966 1.00 42.24 N ATOM 492 CA TYR A 34 -0.126 -0.380 5.103 1.00 22.45 C ATOM 493 C TYR A 34 0.906 -1.334 5.692 1.00 12.33 C ATOM 494 O TYR A 34 0.783 -2.547 5.552 1.00 4.44 O ATOM 495 CB TYR A 34 0.272 0.054 3.690 1.00 0.34 C ATOM 496 CG TYR A 34 -0.895 0.560 2.869 1.00 13.01 C ATOM 497 CD1 TYR A 34 -1.663 1.633 3.304 1.00 31.13 C ATOM 498 CD2 TYR A 34 -1.231 -0.038 1.659 1.00 40.41 C ATOM 499 CE1 TYR A 34 -2.733 2.094 2.563 1.00 61.14 C ATOM 500 CE2 TYR A 34 -2.300 0.421 0.911 1.00 14.04 C ATOM 501 CZ TYR A 34 -3.048 1.486 1.368 1.00 1.30 C ATOM 502 OH TYR A 34 -4.114 1.942 0.631 1.00 35.14 O ATOM 0 H TYR A 34 0.071 1.648 5.591 1.00 42.24 H new ATOM 0 HA TYR A 34 -1.076 -0.910 5.037 1.00 22.45 H new ATOM 0 HB2 TYR A 34 1.027 0.837 3.757 1.00 0.34 H new ATOM 0 HB3 TYR A 34 0.732 -0.789 3.174 1.00 0.34 H new ATOM 0 HD1 TYR A 34 -1.419 2.115 4.239 1.00 31.13 H new ATOM 0 HD2 TYR A 34 -0.649 -0.873 1.298 1.00 40.41 H new ATOM 0 HE1 TYR A 34 -3.320 2.928 2.919 1.00 61.14 H new ATOM 0 HE2 TYR A 34 -2.548 -0.053 -0.027 1.00 14.04 H new ATOM 0 HH TYR A 34 -4.201 1.406 -0.185 1.00 35.14 H new ATOM 512 N ILE A 35 1.917 -0.784 6.360 1.00 30.02 N ATOM 513 CA ILE A 35 2.898 -1.605 7.063 1.00 31.11 C ATOM 514 C ILE A 35 2.224 -2.366 8.206 1.00 54.53 C ATOM 515 O ILE A 35 2.491 -3.548 8.429 1.00 1.43 O ATOM 516 CB ILE A 35 4.061 -0.754 7.625 1.00 42.22 C ATOM 517 CG1 ILE A 35 4.777 -0.017 6.491 1.00 53.20 C ATOM 518 CG2 ILE A 35 5.045 -1.624 8.397 1.00 51.40 C ATOM 519 CD1 ILE A 35 5.870 0.922 6.965 1.00 45.45 C ATOM 0 H ILE A 35 2.078 0.221 6.429 1.00 30.02 H new ATOM 0 HA ILE A 35 3.312 -2.310 6.342 1.00 31.11 H new ATOM 0 HB ILE A 35 3.645 -0.018 8.313 1.00 42.22 H new ATOM 0 HG12 ILE A 35 5.210 -0.750 5.811 1.00 53.20 H new ATOM 0 HG13 ILE A 35 4.044 0.553 5.921 1.00 53.20 H new ATOM 0 HG21 ILE A 35 5.854 -1.004 8.783 1.00 51.40 H new ATOM 0 HG22 ILE A 35 4.530 -2.107 9.228 1.00 51.40 H new ATOM 0 HG23 ILE A 35 5.456 -2.385 7.734 1.00 51.40 H new ATOM 0 HD11 ILE A 35 6.331 1.407 6.105 1.00 45.45 H new ATOM 0 HD12 ILE A 35 5.440 1.679 7.621 1.00 45.45 H new ATOM 0 HD13 ILE A 35 6.625 0.356 7.510 1.00 45.45 H new ATOM 531 N GLU A 36 1.336 -1.679 8.914 1.00 52.32 N ATOM 532 CA GLU A 36 0.566 -2.294 9.988 1.00 2.34 C ATOM 533 C GLU A 36 -0.364 -3.367 9.435 1.00 24.31 C ATOM 534 O GLU A 36 -0.489 -4.454 10.004 1.00 3.02 O ATOM 535 CB GLU A 36 -0.235 -1.225 10.733 1.00 0.00 C ATOM 536 CG GLU A 36 0.256 -0.962 12.149 1.00 2.43 C ATOM 537 CD GLU A 36 0.081 -2.159 13.064 1.00 15.32 C ATOM 538 OE1 GLU A 36 1.000 -3.000 13.133 1.00 3.24 O ATOM 539 OE2 GLU A 36 -0.979 -2.265 13.717 1.00 4.40 O ATOM 0 H GLU A 36 1.131 -0.691 8.763 1.00 52.32 H new ATOM 0 HA GLU A 36 1.256 -2.769 10.686 1.00 2.34 H new ATOM 0 HB2 GLU A 36 -0.195 -0.295 10.167 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.281 -1.530 10.772 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.310 -0.686 12.118 1.00 2.43 H new ATOM 0 HG3 GLU A 36 -0.285 -0.111 12.564 1.00 2.43 H new ATOM 546 N LEU A 37 -1.003 -3.054 8.319 1.00 22.12 N ATOM 547 CA LEU A 37 -1.858 -3.998 7.625 1.00 22.21 C ATOM 548 C LEU A 37 -1.047 -5.216 7.192 1.00 13.43 C ATOM 549 O LEU A 37 -1.513 -6.351 7.276 1.00 70.25 O ATOM 550 CB LEU A 37 -2.486 -3.307 6.413 1.00 42.51 C ATOM 551 CG LEU A 37 -3.886 -3.787 6.032 1.00 21.11 C ATOM 552 CD1 LEU A 37 -4.514 -2.846 5.017 1.00 25.43 C ATOM 553 CD2 LEU A 37 -3.852 -5.200 5.480 1.00 71.31 C ATOM 0 H LEU A 37 -0.942 -2.140 7.871 1.00 22.12 H new ATOM 0 HA LEU A 37 -2.651 -4.338 8.292 1.00 22.21 H new ATOM 0 HB2 LEU A 37 -2.530 -2.236 6.610 1.00 42.51 H new ATOM 0 HB3 LEU A 37 -1.827 -3.447 5.556 1.00 42.51 H new ATOM 0 HG LEU A 37 -4.494 -3.789 6.937 1.00 21.11 H new ATOM 0 HD11 LEU A 37 -5.510 -3.203 4.757 1.00 25.43 H new ATOM 0 HD12 LEU A 37 -4.587 -1.846 5.445 1.00 25.43 H new ATOM 0 HD13 LEU A 37 -3.895 -2.813 4.120 1.00 25.43 H new ATOM 0 HD21 LEU A 37 -4.863 -5.513 5.218 1.00 71.31 H new ATOM 0 HD22 LEU A 37 -3.222 -5.228 4.591 1.00 71.31 H new ATOM 0 HD23 LEU A 37 -3.447 -5.875 6.234 1.00 71.31 H new ATOM 565 N ALA A 38 0.183 -4.968 6.760 1.00 14.22 N ATOM 566 CA ALA A 38 1.059 -6.028 6.280 1.00 52.31 C ATOM 567 C ALA A 38 1.390 -7.004 7.397 1.00 51.34 C ATOM 568 O ALA A 38 1.325 -8.214 7.205 1.00 24.13 O ATOM 569 CB ALA A 38 2.332 -5.443 5.689 1.00 13.34 C ATOM 0 H ALA A 38 0.598 -4.037 6.732 1.00 14.22 H new ATOM 0 HA ALA A 38 0.533 -6.573 5.496 1.00 52.31 H new ATOM 0 HB1 ALA A 38 2.974 -6.250 5.336 1.00 13.34 H new ATOM 0 HB2 ALA A 38 2.079 -4.789 4.854 1.00 13.34 H new ATOM 0 HB3 ALA A 38 2.857 -4.869 6.453 1.00 13.34 H new ATOM 575 N LYS A 39 1.721 -6.470 8.565 1.00 33.42 N ATOM 576 CA LYS A 39 2.064 -7.291 9.723 1.00 3.13 C ATOM 577 C LYS A 39 0.850 -8.065 10.233 1.00 24.50 C ATOM 578 O LYS A 39 0.988 -9.075 10.925 1.00 41.53 O ATOM 579 CB LYS A 39 2.633 -6.416 10.829 1.00 15.12 C ATOM 580 CG LYS A 39 3.958 -5.774 10.465 1.00 23.31 C ATOM 581 CD LYS A 39 4.453 -4.862 11.568 1.00 11.33 C ATOM 582 CE LYS A 39 5.767 -4.202 11.191 1.00 33.01 C ATOM 583 NZ LYS A 39 6.886 -5.179 11.103 1.00 10.02 N ATOM 0 H LYS A 39 1.760 -5.466 8.738 1.00 33.42 H new ATOM 0 HA LYS A 39 2.817 -8.016 9.415 1.00 3.13 H new ATOM 0 HB2 LYS A 39 1.913 -5.634 11.071 1.00 15.12 H new ATOM 0 HB3 LYS A 39 2.764 -7.018 11.728 1.00 15.12 H new ATOM 0 HG2 LYS A 39 4.699 -6.550 10.273 1.00 23.31 H new ATOM 0 HG3 LYS A 39 3.846 -5.204 9.543 1.00 23.31 H new ATOM 0 HD2 LYS A 39 3.705 -4.096 11.773 1.00 11.33 H new ATOM 0 HD3 LYS A 39 4.582 -5.435 12.486 1.00 11.33 H new ATOM 0 HE2 LYS A 39 5.654 -3.695 10.233 1.00 33.01 H new ATOM 0 HE3 LYS A 39 6.012 -3.438 11.929 1.00 33.01 H new ATOM 0 HZ1 LYS A 39 7.785 -4.668 10.995 1.00 10.02 H new ATOM 0 HZ2 LYS A 39 6.916 -5.752 11.970 1.00 10.02 H new ATOM 0 HZ3 LYS A 39 6.740 -5.801 10.282 1.00 10.02 H new ATOM 597 N SER A 40 -0.336 -7.573 9.902 1.00 32.43 N ATOM 598 CA SER A 40 -1.572 -8.236 10.278 1.00 10.40 C ATOM 599 C SER A 40 -1.823 -9.444 9.378 1.00 61.10 C ATOM 600 O SER A 40 -2.606 -10.333 9.718 1.00 74.44 O ATOM 601 CB SER A 40 -2.747 -7.255 10.194 1.00 61.13 C ATOM 602 OG SER A 40 -3.970 -7.885 10.536 1.00 21.34 O ATOM 0 H SER A 40 -0.466 -6.712 9.371 1.00 32.43 H new ATOM 0 HA SER A 40 -1.481 -8.584 11.307 1.00 10.40 H new ATOM 0 HB2 SER A 40 -2.569 -6.413 10.864 1.00 61.13 H new ATOM 0 HB3 SER A 40 -2.814 -6.850 9.184 1.00 61.13 H new ATOM 0 HG SER A 40 -4.701 -7.235 10.475 1.00 21.34 H new ATOM 608 N VAL A 41 -1.177 -9.458 8.218 1.00 20.21 N ATOM 609 CA VAL A 41 -1.320 -10.559 7.275 1.00 0.31 C ATOM 610 C VAL A 41 -0.096 -11.465 7.314 1.00 53.11 C ATOM 611 O VAL A 41 -0.212 -12.681 7.465 1.00 40.41 O ATOM 612 CB VAL A 41 -1.520 -10.047 5.827 1.00 24.35 C ATOM 613 CG1 VAL A 41 -1.675 -11.211 4.860 1.00 13.05 C ATOM 614 CG2 VAL A 41 -2.721 -9.116 5.747 1.00 51.21 C ATOM 0 H VAL A 41 -0.548 -8.717 7.908 1.00 20.21 H new ATOM 0 HA VAL A 41 -2.204 -11.122 7.575 1.00 0.31 H new ATOM 0 HB VAL A 41 -0.632 -9.483 5.540 1.00 24.35 H new ATOM 0 HG11 VAL A 41 -1.814 -10.828 3.849 1.00 13.05 H new ATOM 0 HG12 VAL A 41 -0.780 -11.833 4.892 1.00 13.05 H new ATOM 0 HG13 VAL A 41 -2.542 -11.808 5.145 1.00 13.05 H new ATOM 0 HG21 VAL A 41 -2.844 -8.768 4.721 1.00 51.21 H new ATOM 0 HG22 VAL A 41 -3.618 -9.652 6.058 1.00 51.21 H new ATOM 0 HG23 VAL A 41 -2.563 -8.261 6.404 1.00 51.21 H new ATOM 624 N CYS A 42 1.073 -10.858 7.212 1.00 42.43 N ATOM 625 CA CYS A 42 2.315 -11.593 7.090 1.00 52.52 C ATOM 626 C CYS A 42 3.340 -11.062 8.083 1.00 4.32 C ATOM 627 O CYS A 42 3.686 -9.882 8.066 1.00 63.40 O ATOM 628 CB CYS A 42 2.839 -11.471 5.660 1.00 53.23 C ATOM 629 SG CYS A 42 4.393 -12.335 5.333 1.00 0.55 S ATOM 0 H CYS A 42 1.186 -9.844 7.212 1.00 42.43 H new ATOM 0 HA CYS A 42 2.137 -12.645 7.314 1.00 52.52 H new ATOM 0 HB2 CYS A 42 2.079 -11.853 4.978 1.00 53.23 H new ATOM 0 HB3 CYS A 42 2.974 -10.414 5.428 1.00 53.23 H new ATOM 0 HG CYS A 42 4.598 -13.224 6.259 1.00 0.55 H new ATOM 635 N ALA A 43 3.808 -11.940 8.951 1.00 3.20 N ATOM 636 CA ALA A 43 4.783 -11.568 9.963 1.00 54.42 C ATOM 637 C ALA A 43 6.179 -11.466 9.362 1.00 31.43 C ATOM 638 O ALA A 43 6.945 -10.553 9.684 1.00 40.43 O ATOM 639 CB ALA A 43 4.768 -12.573 11.104 1.00 15.03 C ATOM 0 H ALA A 43 3.528 -12.920 8.976 1.00 3.20 H new ATOM 0 HA ALA A 43 4.511 -10.588 10.355 1.00 54.42 H new ATOM 0 HB1 ALA A 43 5.503 -12.282 11.855 1.00 15.03 H new ATOM 0 HB2 ALA A 43 3.777 -12.595 11.556 1.00 15.03 H new ATOM 0 HB3 ALA A 43 5.014 -13.563 10.720 1.00 15.03 H new ATOM 645 N GLY A 44 6.499 -12.393 8.468 1.00 44.32 N ATOM 646 CA GLY A 44 7.822 -12.437 7.875 1.00 75.53 C ATOM 647 C GLY A 44 7.890 -11.709 6.551 1.00 21.21 C ATOM 648 O GLY A 44 8.625 -12.110 5.646 1.00 33.42 O ATOM 0 H GLY A 44 5.862 -13.119 8.141 1.00 44.32 H new ATOM 0 HA2 GLY A 44 8.541 -11.996 8.566 1.00 75.53 H new ATOM 0 HA3 GLY A 44 8.117 -13.476 7.730 1.00 75.53 H new ATOM 652 N VAL A 45 7.125 -10.636 6.440 1.00 13.44 N ATOM 653 CA VAL A 45 7.089 -9.850 5.220 1.00 14.35 C ATOM 654 C VAL A 45 8.381 -9.051 5.040 1.00 63.32 C ATOM 655 O VAL A 45 8.826 -8.334 5.942 1.00 53.04 O ATOM 656 CB VAL A 45 5.862 -8.902 5.195 1.00 63.44 C ATOM 657 CG1 VAL A 45 5.852 -7.972 6.400 1.00 74.14 C ATOM 658 CG2 VAL A 45 5.821 -8.101 3.902 1.00 70.43 C ATOM 0 H VAL A 45 6.519 -10.289 7.183 1.00 13.44 H new ATOM 0 HA VAL A 45 6.997 -10.548 4.388 1.00 14.35 H new ATOM 0 HB VAL A 45 4.968 -9.523 5.245 1.00 63.44 H new ATOM 0 HG11 VAL A 45 4.979 -7.322 6.350 1.00 74.14 H new ATOM 0 HG12 VAL A 45 5.813 -8.563 7.315 1.00 74.14 H new ATOM 0 HG13 VAL A 45 6.757 -7.365 6.398 1.00 74.14 H new ATOM 0 HG21 VAL A 45 4.951 -7.444 3.909 1.00 70.43 H new ATOM 0 HG22 VAL A 45 6.728 -7.502 3.816 1.00 70.43 H new ATOM 0 HG23 VAL A 45 5.754 -8.782 3.054 1.00 70.43 H new ATOM 668 N GLU A 46 8.998 -9.212 3.883 1.00 64.41 N ATOM 669 CA GLU A 46 10.178 -8.444 3.528 1.00 4.54 C ATOM 670 C GLU A 46 9.817 -7.468 2.415 1.00 62.41 C ATOM 671 O GLU A 46 9.256 -7.858 1.394 1.00 50.31 O ATOM 672 CB GLU A 46 11.324 -9.378 3.110 1.00 3.14 C ATOM 673 CG GLU A 46 10.951 -10.355 2.006 1.00 1.25 C ATOM 674 CD GLU A 46 12.009 -11.415 1.774 1.00 42.33 C ATOM 675 OE1 GLU A 46 13.021 -11.117 1.101 1.00 53.12 O ATOM 676 OE2 GLU A 46 11.827 -12.557 2.253 1.00 13.21 O ATOM 0 H GLU A 46 8.698 -9.874 3.167 1.00 64.41 H new ATOM 0 HA GLU A 46 10.524 -7.878 4.393 1.00 4.54 H new ATOM 0 HB2 GLU A 46 12.169 -8.774 2.778 1.00 3.14 H new ATOM 0 HB3 GLU A 46 11.658 -9.940 3.982 1.00 3.14 H new ATOM 0 HG2 GLU A 46 10.008 -10.839 2.260 1.00 1.25 H new ATOM 0 HG3 GLU A 46 10.787 -9.804 1.080 1.00 1.25 H new ATOM 683 N TYR A 47 10.113 -6.197 2.612 1.00 32.22 N ATOM 684 CA TYR A 47 9.626 -5.183 1.701 1.00 32.51 C ATOM 685 C TYR A 47 10.686 -4.146 1.377 1.00 54.31 C ATOM 686 O TYR A 47 11.613 -3.918 2.154 1.00 73.11 O ATOM 687 CB TYR A 47 8.388 -4.497 2.289 1.00 31.02 C ATOM 688 CG TYR A 47 8.579 -3.956 3.694 1.00 5.34 C ATOM 689 CD1 TYR A 47 9.072 -2.674 3.908 1.00 32.24 C ATOM 690 CD2 TYR A 47 8.261 -4.728 4.806 1.00 1.54 C ATOM 691 CE1 TYR A 47 9.245 -2.180 5.188 1.00 2.04 C ATOM 692 CE2 TYR A 47 8.430 -4.239 6.087 1.00 4.41 C ATOM 693 CZ TYR A 47 8.922 -2.967 6.273 1.00 73.14 C ATOM 694 OH TYR A 47 9.098 -2.481 7.551 1.00 24.15 O ATOM 0 H TYR A 47 10.680 -5.847 3.384 1.00 32.22 H new ATOM 0 HA TYR A 47 9.362 -5.684 0.770 1.00 32.51 H new ATOM 0 HB2 TYR A 47 8.096 -3.676 1.633 1.00 31.02 H new ATOM 0 HB3 TYR A 47 7.562 -5.208 2.296 1.00 31.02 H new ATOM 0 HD1 TYR A 47 9.324 -2.054 3.061 1.00 32.24 H new ATOM 0 HD2 TYR A 47 7.875 -5.727 4.666 1.00 1.54 H new ATOM 0 HE1 TYR A 47 9.631 -1.183 5.337 1.00 2.04 H new ATOM 0 HE2 TYR A 47 8.177 -4.852 6.939 1.00 4.41 H new ATOM 0 HH TYR A 47 8.821 -3.161 8.200 1.00 24.15 H new ATOM 704 N ASN A 48 10.540 -3.544 0.211 1.00 61.10 N ATOM 705 CA ASN A 48 11.343 -2.394 -0.179 1.00 43.44 C ATOM 706 C ASN A 48 10.413 -1.261 -0.552 1.00 60.04 C ATOM 707 O ASN A 48 9.215 -1.474 -0.746 1.00 32.54 O ATOM 708 CB ASN A 48 12.253 -2.690 -1.374 1.00 1.53 C ATOM 709 CG ASN A 48 13.244 -3.812 -1.136 1.00 1.25 C ATOM 710 OD1 ASN A 48 13.615 -4.517 -2.069 1.00 70.22 O ATOM 711 ND2 ASN A 48 13.694 -3.979 0.100 1.00 22.23 N ATOM 0 H ASN A 48 9.863 -3.836 -0.494 1.00 61.10 H new ATOM 0 HA ASN A 48 11.980 -2.133 0.666 1.00 43.44 H new ATOM 0 HB2 ASN A 48 11.634 -2.944 -2.234 1.00 1.53 H new ATOM 0 HB3 ASN A 48 12.802 -1.784 -1.632 1.00 1.53 H new ATOM 0 HD21 ASN A 48 14.372 -4.714 0.301 1.00 22.23 H new ATOM 0 HD22 ASN A 48 13.362 -3.373 0.850 1.00 22.23 H new ATOM 718 N VAL A 49 10.963 -0.074 -0.677 1.00 12.35 N ATOM 719 CA VAL A 49 10.178 1.104 -0.999 1.00 52.55 C ATOM 720 C VAL A 49 11.078 2.220 -1.518 1.00 23.21 C ATOM 721 O VAL A 49 12.231 2.345 -1.094 1.00 53.41 O ATOM 722 CB VAL A 49 9.382 1.591 0.239 1.00 64.10 C ATOM 723 CG1 VAL A 49 10.315 1.943 1.388 1.00 25.24 C ATOM 724 CG2 VAL A 49 8.492 2.775 -0.114 1.00 52.51 C ATOM 0 H VAL A 49 11.960 0.105 -0.560 1.00 12.35 H new ATOM 0 HA VAL A 49 9.468 0.834 -1.781 1.00 52.55 H new ATOM 0 HB VAL A 49 8.742 0.771 0.564 1.00 64.10 H new ATOM 0 HG11 VAL A 49 9.729 2.281 2.242 1.00 25.24 H new ATOM 0 HG12 VAL A 49 10.893 1.063 1.670 1.00 25.24 H new ATOM 0 HG13 VAL A 49 10.993 2.737 1.076 1.00 25.24 H new ATOM 0 HG21 VAL A 49 7.945 3.096 0.773 1.00 52.51 H new ATOM 0 HG22 VAL A 49 9.108 3.597 -0.478 1.00 52.51 H new ATOM 0 HG23 VAL A 49 7.785 2.480 -0.889 1.00 52.51 H new ATOM 734 N SER A 50 10.571 3.004 -2.461 1.00 22.54 N ATOM 735 CA SER A 50 11.290 4.169 -2.949 1.00 43.45 C ATOM 736 C SER A 50 11.509 5.150 -1.804 1.00 11.20 C ATOM 737 O SER A 50 10.736 5.179 -0.842 1.00 25.33 O ATOM 738 CB SER A 50 10.495 4.851 -4.059 1.00 63.32 C ATOM 739 OG SER A 50 9.567 3.949 -4.645 1.00 73.32 O ATOM 0 H SER A 50 9.664 2.852 -2.902 1.00 22.54 H new ATOM 0 HA SER A 50 12.253 3.850 -3.347 1.00 43.45 H new ATOM 0 HB2 SER A 50 9.965 5.713 -3.655 1.00 63.32 H new ATOM 0 HB3 SER A 50 11.177 5.225 -4.823 1.00 63.32 H new ATOM 0 HG SER A 50 10.026 3.116 -4.882 1.00 73.32 H new ATOM 745 N GLU A 51 12.551 5.946 -1.891 1.00 14.41 N ATOM 746 CA GLU A 51 12.824 6.919 -0.853 1.00 42.40 C ATOM 747 C GLU A 51 11.955 8.145 -1.061 1.00 62.10 C ATOM 748 O GLU A 51 11.947 8.752 -2.132 1.00 5.52 O ATOM 749 CB GLU A 51 14.302 7.301 -0.803 1.00 3.22 C ATOM 750 CG GLU A 51 14.886 7.731 -2.134 1.00 64.11 C ATOM 751 CD GLU A 51 15.268 6.556 -3.011 1.00 52.51 C ATOM 752 OE1 GLU A 51 16.387 6.027 -2.846 1.00 4.41 O ATOM 753 OE2 GLU A 51 14.452 6.157 -3.869 1.00 12.24 O ATOM 0 H GLU A 51 13.219 5.941 -2.662 1.00 14.41 H new ATOM 0 HA GLU A 51 12.582 6.466 0.109 1.00 42.40 H new ATOM 0 HB2 GLU A 51 14.431 8.111 -0.085 1.00 3.22 H new ATOM 0 HB3 GLU A 51 14.872 6.450 -0.429 1.00 3.22 H new ATOM 0 HG2 GLU A 51 14.161 8.352 -2.661 1.00 64.11 H new ATOM 0 HG3 GLU A 51 15.766 8.349 -1.957 1.00 64.11 H new ATOM 760 N LEU A 52 11.213 8.491 -0.033 1.00 30.24 N ATOM 761 CA LEU A 52 10.273 9.584 -0.116 1.00 52.20 C ATOM 762 C LEU A 52 10.923 10.872 0.363 1.00 31.14 C ATOM 763 O LEU A 52 11.317 11.003 1.522 1.00 12.40 O ATOM 764 CB LEU A 52 8.983 9.280 0.668 1.00 0.20 C ATOM 765 CG LEU A 52 9.088 9.162 2.196 1.00 55.25 C ATOM 766 CD1 LEU A 52 7.712 9.309 2.819 1.00 34.30 C ATOM 767 CD2 LEU A 52 9.693 7.832 2.622 1.00 42.53 C ATOM 0 H LEU A 52 11.244 8.028 0.875 1.00 30.24 H new ATOM 0 HA LEU A 52 9.988 9.711 -1.160 1.00 52.20 H new ATOM 0 HB2 LEU A 52 8.260 10.063 0.441 1.00 0.20 H new ATOM 0 HB3 LEU A 52 8.571 8.346 0.287 1.00 0.20 H new ATOM 0 HG LEU A 52 9.746 9.959 2.542 1.00 55.25 H new ATOM 0 HD11 LEU A 52 7.792 9.224 3.903 1.00 34.30 H new ATOM 0 HD12 LEU A 52 7.298 10.284 2.561 1.00 34.30 H new ATOM 0 HD13 LEU A 52 7.056 8.525 2.442 1.00 34.30 H new ATOM 0 HD21 LEU A 52 9.749 7.790 3.710 1.00 42.53 H new ATOM 0 HD22 LEU A 52 9.069 7.015 2.259 1.00 42.53 H new ATOM 0 HD23 LEU A 52 10.695 7.737 2.203 1.00 42.53 H new ATOM 779 N THR A 53 11.060 11.809 -0.555 1.00 30.15 N ATOM 780 CA THR A 53 11.686 13.080 -0.272 1.00 64.44 C ATOM 781 C THR A 53 10.618 14.171 -0.214 1.00 64.01 C ATOM 782 O THR A 53 9.423 13.869 -0.261 1.00 3.24 O ATOM 783 CB THR A 53 12.732 13.399 -1.357 1.00 1.43 C ATOM 784 OG1 THR A 53 13.165 12.171 -1.963 1.00 12.42 O ATOM 785 CG2 THR A 53 13.943 14.110 -0.768 1.00 41.43 C ATOM 0 H THR A 53 10.739 11.708 -1.518 1.00 30.15 H new ATOM 0 HA THR A 53 12.193 13.034 0.692 1.00 64.44 H new ATOM 0 HB THR A 53 12.271 14.056 -2.095 1.00 1.43 H new ATOM 0 HG1 THR A 53 13.830 12.365 -2.656 1.00 12.42 H new ATOM 0 HG21 THR A 53 14.662 14.321 -1.560 1.00 41.43 H new ATOM 0 HG22 THR A 53 13.627 15.046 -0.307 1.00 41.43 H new ATOM 0 HG23 THR A 53 14.408 13.473 -0.015 1.00 41.43 H new ATOM 793 N GLU A 54 11.038 15.425 -0.119 1.00 31.05 N ATOM 794 CA GLU A 54 10.118 16.545 0.016 1.00 20.35 C ATOM 795 C GLU A 54 9.148 16.622 -1.166 1.00 73.25 C ATOM 796 O GLU A 54 7.983 16.979 -1.007 1.00 2.23 O ATOM 797 CB GLU A 54 10.908 17.849 0.112 1.00 1.30 C ATOM 798 CG GLU A 54 12.124 17.774 1.023 1.00 30.50 C ATOM 799 CD GLU A 54 11.800 17.304 2.428 1.00 12.42 C ATOM 800 OE1 GLU A 54 11.269 18.108 3.226 1.00 21.02 O ATOM 801 OE2 GLU A 54 12.107 16.137 2.751 1.00 11.21 O ATOM 0 H GLU A 54 12.022 15.694 -0.133 1.00 31.05 H new ATOM 0 HA GLU A 54 9.534 16.393 0.924 1.00 20.35 H new ATOM 0 HB2 GLU A 54 11.234 18.138 -0.887 1.00 1.30 H new ATOM 0 HB3 GLU A 54 10.246 18.637 0.472 1.00 1.30 H new ATOM 0 HG2 GLU A 54 12.857 17.098 0.582 1.00 30.50 H new ATOM 0 HG3 GLU A 54 12.589 18.758 1.076 1.00 30.50 H new ATOM 808 N GLU A 55 9.646 16.285 -2.349 1.00 12.44 N ATOM 809 CA GLU A 55 8.857 16.358 -3.577 1.00 44.13 C ATOM 810 C GLU A 55 8.119 15.050 -3.867 1.00 53.31 C ATOM 811 O GLU A 55 7.455 14.922 -4.896 1.00 44.01 O ATOM 812 CB GLU A 55 9.774 16.686 -4.753 1.00 24.01 C ATOM 813 CG GLU A 55 10.465 18.032 -4.635 1.00 3.24 C ATOM 814 CD GLU A 55 11.668 18.141 -5.543 1.00 71.42 C ATOM 815 OE1 GLU A 55 11.493 18.380 -6.752 1.00 50.21 O ATOM 816 OE2 GLU A 55 12.802 17.987 -5.047 1.00 52.15 O ATOM 0 H GLU A 55 10.601 15.955 -2.487 1.00 12.44 H new ATOM 0 HA GLU A 55 8.111 17.141 -3.441 1.00 44.13 H new ATOM 0 HB2 GLU A 55 10.531 15.906 -4.840 1.00 24.01 H new ATOM 0 HB3 GLU A 55 9.190 16.667 -5.673 1.00 24.01 H new ATOM 0 HG2 GLU A 55 9.757 18.824 -4.878 1.00 3.24 H new ATOM 0 HG3 GLU A 55 10.777 18.189 -3.602 1.00 3.24 H new ATOM 823 N SER A 56 8.239 14.073 -2.980 1.00 4.33 N ATOM 824 CA SER A 56 7.617 12.784 -3.209 1.00 51.24 C ATOM 825 C SER A 56 6.220 12.733 -2.598 1.00 74.31 C ATOM 826 O SER A 56 6.062 12.601 -1.384 1.00 23.51 O ATOM 827 CB SER A 56 8.483 11.677 -2.619 1.00 41.13 C ATOM 828 OG SER A 56 9.844 11.827 -3.003 1.00 45.14 O ATOM 0 H SER A 56 8.757 14.150 -2.104 1.00 4.33 H new ATOM 0 HA SER A 56 7.524 12.636 -4.285 1.00 51.24 H new ATOM 0 HB2 SER A 56 8.406 11.692 -1.532 1.00 41.13 H new ATOM 0 HB3 SER A 56 8.114 10.707 -2.951 1.00 41.13 H new ATOM 0 HG SER A 56 10.258 10.943 -3.094 1.00 45.14 H new ATOM 834 N LYS A 57 5.210 12.859 -3.446 1.00 73.12 N ATOM 835 CA LYS A 57 3.830 12.693 -3.014 1.00 2.40 C ATOM 836 C LYS A 57 3.332 11.310 -3.411 1.00 13.52 C ATOM 837 O LYS A 57 2.141 11.003 -3.318 1.00 44.10 O ATOM 838 CB LYS A 57 2.930 13.806 -3.577 1.00 42.31 C ATOM 839 CG LYS A 57 3.264 14.257 -4.996 1.00 41.44 C ATOM 840 CD LYS A 57 2.916 13.210 -6.041 1.00 32.44 C ATOM 841 CE LYS A 57 3.120 13.750 -7.447 1.00 42.25 C ATOM 842 NZ LYS A 57 2.864 12.717 -8.483 1.00 32.14 N ATOM 0 H LYS A 57 5.320 13.076 -4.437 1.00 73.12 H new ATOM 0 HA LYS A 57 3.788 12.776 -1.928 1.00 2.40 H new ATOM 0 HB2 LYS A 57 1.896 13.460 -3.557 1.00 42.31 H new ATOM 0 HB3 LYS A 57 2.990 14.670 -2.915 1.00 42.31 H new ATOM 0 HG2 LYS A 57 2.724 15.178 -5.217 1.00 41.44 H new ATOM 0 HG3 LYS A 57 4.327 14.488 -5.059 1.00 41.44 H new ATOM 0 HD2 LYS A 57 3.536 12.326 -5.894 1.00 32.44 H new ATOM 0 HD3 LYS A 57 1.879 12.897 -5.915 1.00 32.44 H new ATOM 0 HE2 LYS A 57 2.455 14.599 -7.609 1.00 42.25 H new ATOM 0 HE3 LYS A 57 4.140 14.120 -7.549 1.00 42.25 H new ATOM 0 HZ1 LYS A 57 2.646 13.180 -9.388 1.00 32.14 H new ATOM 0 HZ2 LYS A 57 3.708 12.120 -8.594 1.00 32.14 H new ATOM 0 HZ3 LYS A 57 2.058 12.127 -8.193 1.00 32.14 H new ATOM 856 N GLU A 58 4.273 10.481 -3.848 1.00 5.22 N ATOM 857 CA GLU A 58 4.004 9.092 -4.167 1.00 54.43 C ATOM 858 C GLU A 58 5.238 8.252 -3.859 1.00 21.12 C ATOM 859 O GLU A 58 6.360 8.765 -3.855 1.00 64.42 O ATOM 860 CB GLU A 58 3.621 8.922 -5.643 1.00 33.45 C ATOM 861 CG GLU A 58 4.779 9.087 -6.621 1.00 72.42 C ATOM 862 CD GLU A 58 5.103 10.533 -6.942 1.00 1.12 C ATOM 863 OE1 GLU A 58 5.710 11.224 -6.098 1.00 25.02 O ATOM 864 OE2 GLU A 58 4.770 10.977 -8.059 1.00 3.20 O ATOM 0 H GLU A 58 5.244 10.758 -3.990 1.00 5.22 H new ATOM 0 HA GLU A 58 3.164 8.759 -3.558 1.00 54.43 H new ATOM 0 HB2 GLU A 58 3.185 7.933 -5.780 1.00 33.45 H new ATOM 0 HB3 GLU A 58 2.847 9.649 -5.890 1.00 33.45 H new ATOM 0 HG2 GLU A 58 5.666 8.609 -6.205 1.00 72.42 H new ATOM 0 HG3 GLU A 58 4.539 8.563 -7.546 1.00 72.42 H new ATOM 871 N LEU A 59 5.037 6.974 -3.587 1.00 22.12 N ATOM 872 CA LEU A 59 6.152 6.063 -3.372 1.00 41.10 C ATOM 873 C LEU A 59 5.737 4.642 -3.702 1.00 3.31 C ATOM 874 O LEU A 59 4.574 4.275 -3.542 1.00 73.43 O ATOM 875 CB LEU A 59 6.685 6.149 -1.930 1.00 55.40 C ATOM 876 CG LEU A 59 5.878 5.418 -0.841 1.00 4.10 C ATOM 877 CD1 LEU A 59 6.527 5.635 0.516 1.00 50.32 C ATOM 878 CD2 LEU A 59 4.428 5.874 -0.801 1.00 25.41 C ATOM 0 H LEU A 59 4.116 6.543 -3.510 1.00 22.12 H new ATOM 0 HA LEU A 59 6.961 6.361 -4.039 1.00 41.10 H new ATOM 0 HB2 LEU A 59 7.701 5.755 -1.920 1.00 55.40 H new ATOM 0 HB3 LEU A 59 6.749 7.202 -1.655 1.00 55.40 H new ATOM 0 HG LEU A 59 5.881 4.356 -1.086 1.00 4.10 H new ATOM 0 HD11 LEU A 59 5.951 5.115 1.282 1.00 50.32 H new ATOM 0 HD12 LEU A 59 7.544 5.244 0.499 1.00 50.32 H new ATOM 0 HD13 LEU A 59 6.551 6.701 0.741 1.00 50.32 H new ATOM 0 HD21 LEU A 59 3.898 5.332 -0.018 1.00 25.41 H new ATOM 0 HD22 LEU A 59 4.388 6.943 -0.592 1.00 25.41 H new ATOM 0 HD23 LEU A 59 3.957 5.674 -1.764 1.00 25.41 H new ATOM 890 N THR A 60 6.681 3.855 -4.173 1.00 73.14 N ATOM 891 CA THR A 60 6.402 2.484 -4.545 1.00 12.44 C ATOM 892 C THR A 60 6.971 1.519 -3.515 1.00 65.33 C ATOM 893 O THR A 60 8.188 1.381 -3.380 1.00 0.24 O ATOM 894 CB THR A 60 6.975 2.155 -5.937 1.00 41.43 C ATOM 895 OG1 THR A 60 6.450 3.077 -6.906 1.00 3.31 O ATOM 896 CG2 THR A 60 6.627 0.729 -6.345 1.00 23.22 C ATOM 0 H THR A 60 7.651 4.142 -4.308 1.00 73.14 H new ATOM 0 HA THR A 60 5.319 2.369 -4.580 1.00 12.44 H new ATOM 0 HB THR A 60 8.060 2.246 -5.893 1.00 41.43 H new ATOM 0 HG1 THR A 60 5.501 2.887 -7.057 1.00 3.31 H new ATOM 0 HG21 THR A 60 7.043 0.521 -7.331 1.00 23.22 H new ATOM 0 HG22 THR A 60 7.045 0.031 -5.620 1.00 23.22 H new ATOM 0 HG23 THR A 60 5.544 0.614 -6.376 1.00 23.22 H new ATOM 904 N ALA A 61 6.084 0.869 -2.782 1.00 24.01 N ATOM 905 CA ALA A 61 6.482 -0.098 -1.777 1.00 53.43 C ATOM 906 C ALA A 61 6.013 -1.489 -2.168 1.00 55.13 C ATOM 907 O ALA A 61 4.835 -1.693 -2.458 1.00 25.32 O ATOM 908 CB ALA A 61 5.915 0.291 -0.420 1.00 35.31 C ATOM 0 H ALA A 61 5.075 0.996 -2.866 1.00 24.01 H new ATOM 0 HA ALA A 61 7.570 -0.106 -1.711 1.00 53.43 H new ATOM 0 HB1 ALA A 61 6.221 -0.443 0.326 1.00 35.31 H new ATOM 0 HB2 ALA A 61 6.291 1.274 -0.137 1.00 35.31 H new ATOM 0 HB3 ALA A 61 4.827 0.320 -0.475 1.00 35.31 H new ATOM 914 N ARG A 62 6.932 -2.438 -2.198 1.00 1.30 N ATOM 915 CA ARG A 62 6.571 -3.811 -2.502 1.00 51.43 C ATOM 916 C ARG A 62 6.846 -4.724 -1.330 1.00 1.32 C ATOM 917 O ARG A 62 7.987 -4.868 -0.888 1.00 13.31 O ATOM 918 CB ARG A 62 7.269 -4.338 -3.757 1.00 21.31 C ATOM 919 CG ARG A 62 8.725 -3.946 -3.914 1.00 1.41 C ATOM 920 CD ARG A 62 9.328 -4.633 -5.132 1.00 61.55 C ATOM 921 NE ARG A 62 8.368 -4.719 -6.239 1.00 20.34 N ATOM 922 CZ ARG A 62 8.701 -4.832 -7.524 1.00 14.43 C ATOM 923 NH1 ARG A 62 9.975 -4.853 -7.891 1.00 73.43 N ATOM 924 NH2 ARG A 62 7.755 -4.944 -8.448 1.00 75.35 N ATOM 0 H ARG A 62 7.924 -2.286 -2.017 1.00 1.30 H new ATOM 0 HA ARG A 62 5.499 -3.807 -2.701 1.00 51.43 H new ATOM 0 HB2 ARG A 62 7.203 -5.426 -3.757 1.00 21.31 H new ATOM 0 HB3 ARG A 62 6.721 -3.985 -4.630 1.00 21.31 H new ATOM 0 HG2 ARG A 62 8.808 -2.864 -4.020 1.00 1.41 H new ATOM 0 HG3 ARG A 62 9.282 -4.223 -3.019 1.00 1.41 H new ATOM 0 HD2 ARG A 62 10.212 -4.085 -5.459 1.00 61.55 H new ATOM 0 HD3 ARG A 62 9.658 -5.635 -4.858 1.00 61.55 H new ATOM 0 HE ARG A 62 7.375 -4.690 -6.008 1.00 20.34 H new ATOM 0 HH11 ARG A 62 10.710 -4.782 -7.187 1.00 73.43 H new ATOM 0 HH12 ARG A 62 10.220 -4.940 -8.877 1.00 73.43 H new ATOM 0 HH21 ARG A 62 6.772 -4.944 -8.174 1.00 75.35 H new ATOM 0 HH22 ARG A 62 8.011 -5.030 -9.432 1.00 75.35 H new ATOM 938 N PHE A 63 5.788 -5.332 -0.838 1.00 70.31 N ATOM 939 CA PHE A 63 5.876 -6.251 0.274 1.00 72.34 C ATOM 940 C PHE A 63 5.915 -7.678 -0.252 1.00 53.33 C ATOM 941 O PHE A 63 4.991 -8.111 -0.943 1.00 51.32 O ATOM 942 CB PHE A 63 4.667 -6.081 1.201 1.00 53.43 C ATOM 943 CG PHE A 63 4.389 -4.659 1.607 1.00 1.22 C ATOM 944 CD1 PHE A 63 3.558 -3.859 0.839 1.00 20.22 C ATOM 945 CD2 PHE A 63 4.948 -4.127 2.757 1.00 50.43 C ATOM 946 CE1 PHE A 63 3.292 -2.555 1.209 1.00 14.12 C ATOM 947 CE2 PHE A 63 4.686 -2.822 3.132 1.00 14.43 C ATOM 948 CZ PHE A 63 3.856 -2.035 2.357 1.00 10.53 C ATOM 0 H PHE A 63 4.843 -5.202 -1.198 1.00 70.31 H new ATOM 0 HA PHE A 63 6.785 -6.040 0.837 1.00 72.34 H new ATOM 0 HB2 PHE A 63 3.784 -6.483 0.704 1.00 53.43 H new ATOM 0 HB3 PHE A 63 4.827 -6.678 2.099 1.00 53.43 H new ATOM 0 HD1 PHE A 63 3.113 -4.260 -0.060 1.00 20.22 H new ATOM 0 HD2 PHE A 63 5.596 -4.738 3.368 1.00 50.43 H new ATOM 0 HE1 PHE A 63 2.643 -1.942 0.601 1.00 14.12 H new ATOM 0 HE2 PHE A 63 5.130 -2.418 4.030 1.00 14.43 H new ATOM 0 HZ PHE A 63 3.649 -1.016 2.648 1.00 10.53 H new ATOM 958 N LYS A 64 6.988 -8.396 0.036 1.00 41.03 N ATOM 959 CA LYS A 64 7.044 -9.807 -0.292 1.00 70.13 C ATOM 960 C LYS A 64 6.558 -10.619 0.893 1.00 52.21 C ATOM 961 O LYS A 64 7.179 -10.623 1.958 1.00 24.03 O ATOM 962 CB LYS A 64 8.450 -10.264 -0.672 1.00 21.13 C ATOM 963 CG LYS A 64 8.487 -11.739 -1.037 1.00 12.24 C ATOM 964 CD LYS A 64 9.898 -12.282 -1.141 1.00 62.15 C ATOM 965 CE LYS A 64 9.880 -13.779 -1.404 1.00 71.44 C ATOM 966 NZ LYS A 64 9.152 -14.524 -0.337 1.00 45.12 N ATOM 0 H LYS A 64 7.823 -8.028 0.492 1.00 41.03 H new ATOM 0 HA LYS A 64 6.402 -9.965 -1.159 1.00 70.13 H new ATOM 0 HB2 LYS A 64 8.809 -9.672 -1.514 1.00 21.13 H new ATOM 0 HB3 LYS A 64 9.129 -10.079 0.160 1.00 21.13 H new ATOM 0 HG2 LYS A 64 7.938 -12.308 -0.287 1.00 12.24 H new ATOM 0 HG3 LYS A 64 7.975 -11.887 -1.988 1.00 12.24 H new ATOM 0 HD2 LYS A 64 10.430 -11.773 -1.944 1.00 62.15 H new ATOM 0 HD3 LYS A 64 10.441 -12.076 -0.218 1.00 62.15 H new ATOM 0 HE2 LYS A 64 9.409 -13.972 -2.368 1.00 71.44 H new ATOM 0 HE3 LYS A 64 10.904 -14.148 -1.470 1.00 71.44 H new ATOM 0 HZ1 LYS A 64 9.207 -15.545 -0.527 1.00 45.12 H new ATOM 0 HZ2 LYS A 64 9.585 -14.320 0.586 1.00 45.12 H new ATOM 0 HZ3 LYS A 64 8.155 -14.227 -0.324 1.00 45.12 H new ATOM 980 N PHE A 65 5.451 -11.296 0.702 1.00 24.41 N ATOM 981 CA PHE A 65 4.866 -12.100 1.749 1.00 61.01 C ATOM 982 C PHE A 65 5.415 -13.519 1.682 1.00 4.03 C ATOM 983 O PHE A 65 6.241 -13.828 0.816 1.00 51.25 O ATOM 984 CB PHE A 65 3.346 -12.097 1.612 1.00 63.24 C ATOM 985 CG PHE A 65 2.760 -10.712 1.567 1.00 24.54 C ATOM 986 CD1 PHE A 65 2.438 -10.044 2.735 1.00 21.31 C ATOM 987 CD2 PHE A 65 2.545 -10.075 0.358 1.00 62.25 C ATOM 988 CE1 PHE A 65 1.908 -8.768 2.698 1.00 43.54 C ATOM 989 CE2 PHE A 65 2.018 -8.799 0.313 1.00 4.42 C ATOM 990 CZ PHE A 65 1.700 -8.146 1.485 1.00 53.13 C ATOM 0 H PHE A 65 4.933 -11.306 -0.177 1.00 24.41 H new ATOM 0 HA PHE A 65 5.126 -11.678 2.720 1.00 61.01 H new ATOM 0 HB2 PHE A 65 3.068 -12.632 0.704 1.00 63.24 H new ATOM 0 HB3 PHE A 65 2.911 -12.642 2.449 1.00 63.24 H new ATOM 0 HD1 PHE A 65 2.603 -10.526 3.688 1.00 21.31 H new ATOM 0 HD2 PHE A 65 2.792 -10.582 -0.563 1.00 62.25 H new ATOM 0 HE1 PHE A 65 1.657 -8.259 3.617 1.00 43.54 H new ATOM 0 HE2 PHE A 65 1.855 -8.314 -0.638 1.00 4.42 H new ATOM 0 HZ PHE A 65 1.288 -7.148 1.453 1.00 53.13 H new ATOM 1000 N GLU A 66 4.965 -14.366 2.601 1.00 15.02 N ATOM 1001 CA GLU A 66 5.386 -15.760 2.640 1.00 21.23 C ATOM 1002 C GLU A 66 5.108 -16.425 1.294 1.00 1.35 C ATOM 1003 O GLU A 66 6.015 -16.913 0.618 1.00 30.33 O ATOM 1004 CB GLU A 66 4.623 -16.522 3.730 1.00 11.40 C ATOM 1005 CG GLU A 66 4.385 -15.753 5.026 1.00 44.02 C ATOM 1006 CD GLU A 66 5.647 -15.415 5.794 1.00 61.43 C ATOM 1007 OE1 GLU A 66 6.712 -15.975 5.482 1.00 30.35 O ATOM 1008 OE2 GLU A 66 5.563 -14.606 6.743 1.00 41.45 O ATOM 0 H GLU A 66 4.304 -14.108 3.334 1.00 15.02 H new ATOM 0 HA GLU A 66 6.454 -15.787 2.858 1.00 21.23 H new ATOM 0 HB2 GLU A 66 3.657 -16.828 3.327 1.00 11.40 H new ATOM 0 HB3 GLU A 66 5.173 -17.433 3.965 1.00 11.40 H new ATOM 0 HG2 GLU A 66 3.857 -14.828 4.794 1.00 44.02 H new ATOM 0 HG3 GLU A 66 3.730 -16.341 5.668 1.00 44.02 H new ATOM 1015 N VAL A 67 3.840 -16.412 0.909 1.00 4.00 N ATOM 1016 CA VAL A 67 3.389 -17.039 -0.326 1.00 22.10 C ATOM 1017 C VAL A 67 2.319 -16.179 -0.989 1.00 63.53 C ATOM 1018 O VAL A 67 2.017 -15.085 -0.507 1.00 73.11 O ATOM 1019 CB VAL A 67 2.822 -18.453 -0.069 1.00 53.11 C ATOM 1020 CG1 VAL A 67 3.932 -19.419 0.306 1.00 64.23 C ATOM 1021 CG2 VAL A 67 1.757 -18.419 1.018 1.00 31.14 C ATOM 0 H VAL A 67 3.094 -15.967 1.444 1.00 4.00 H new ATOM 0 HA VAL A 67 4.253 -17.129 -0.985 1.00 22.10 H new ATOM 0 HB VAL A 67 2.359 -18.803 -0.992 1.00 53.11 H new ATOM 0 HG11 VAL A 67 3.509 -20.408 0.482 1.00 64.23 H new ATOM 0 HG12 VAL A 67 4.657 -19.474 -0.506 1.00 64.23 H new ATOM 0 HG13 VAL A 67 4.428 -19.070 1.212 1.00 64.23 H new ATOM 0 HG21 VAL A 67 1.372 -19.426 1.182 1.00 31.14 H new ATOM 0 HG22 VAL A 67 2.193 -18.042 1.943 1.00 31.14 H new ATOM 0 HG23 VAL A 67 0.942 -17.765 0.708 1.00 31.14 H new ATOM 1031 N SER A 68 1.733 -16.679 -2.073 1.00 53.44 N ATOM 1032 CA SER A 68 0.730 -15.933 -2.821 1.00 33.44 C ATOM 1033 C SER A 68 -0.529 -15.719 -1.988 1.00 25.14 C ATOM 1034 O SER A 68 -1.223 -14.713 -2.136 1.00 51.44 O ATOM 1035 CB SER A 68 0.386 -16.678 -4.110 1.00 53.04 C ATOM 1036 OG SER A 68 1.554 -16.945 -4.870 1.00 52.22 O ATOM 0 H SER A 68 1.938 -17.603 -2.453 1.00 53.44 H new ATOM 0 HA SER A 68 1.143 -14.955 -3.067 1.00 33.44 H new ATOM 0 HB2 SER A 68 -0.118 -17.614 -3.870 1.00 53.04 H new ATOM 0 HB3 SER A 68 -0.310 -16.084 -4.703 1.00 53.04 H new ATOM 0 HG SER A 68 2.272 -16.339 -4.591 1.00 52.22 H new ATOM 1042 N ALA A 69 -0.799 -16.669 -1.109 1.00 44.41 N ATOM 1043 CA ALA A 69 -1.957 -16.607 -0.224 1.00 64.54 C ATOM 1044 C ALA A 69 -1.935 -15.348 0.634 1.00 21.54 C ATOM 1045 O ALA A 69 -2.927 -14.624 0.714 1.00 23.33 O ATOM 1046 CB ALA A 69 -2.006 -17.842 0.660 1.00 35.21 C ATOM 0 H ALA A 69 -0.226 -17.504 -0.986 1.00 44.41 H new ATOM 0 HA ALA A 69 -2.852 -16.574 -0.845 1.00 64.54 H new ATOM 0 HB1 ALA A 69 -2.874 -17.785 1.317 1.00 35.21 H new ATOM 0 HB2 ALA A 69 -2.080 -18.733 0.037 1.00 35.21 H new ATOM 0 HB3 ALA A 69 -1.099 -17.895 1.262 1.00 35.21 H new ATOM 1052 N GLU A 70 -0.792 -15.091 1.261 1.00 61.20 N ATOM 1053 CA GLU A 70 -0.616 -13.912 2.099 1.00 60.31 C ATOM 1054 C GLU A 70 -0.785 -12.642 1.264 1.00 74.54 C ATOM 1055 O GLU A 70 -1.358 -11.651 1.717 1.00 14.24 O ATOM 1056 CB GLU A 70 0.777 -13.929 2.736 1.00 41.14 C ATOM 1057 CG GLU A 70 1.145 -15.245 3.407 1.00 24.11 C ATOM 1058 CD GLU A 70 0.430 -15.468 4.724 1.00 41.25 C ATOM 1059 OE1 GLU A 70 -0.794 -15.694 4.707 1.00 1.35 O ATOM 1060 OE2 GLU A 70 1.092 -15.426 5.783 1.00 63.15 O ATOM 0 H GLU A 70 0.032 -15.689 1.203 1.00 61.20 H new ATOM 0 HA GLU A 70 -1.371 -13.923 2.885 1.00 60.31 H new ATOM 0 HB2 GLU A 70 1.517 -13.707 1.967 1.00 41.14 H new ATOM 0 HB3 GLU A 70 0.835 -13.130 3.475 1.00 41.14 H new ATOM 0 HG2 GLU A 70 0.911 -16.067 2.731 1.00 24.11 H new ATOM 0 HG3 GLU A 70 2.221 -15.269 3.577 1.00 24.11 H new ATOM 1067 N LYS A 71 -0.293 -12.700 0.032 1.00 24.42 N ATOM 1068 CA LYS A 71 -0.340 -11.568 -0.884 1.00 12.44 C ATOM 1069 C LYS A 71 -1.784 -11.201 -1.193 1.00 33.04 C ATOM 1070 O LYS A 71 -2.183 -10.040 -1.093 1.00 74.45 O ATOM 1071 CB LYS A 71 0.405 -11.928 -2.174 1.00 61.04 C ATOM 1072 CG LYS A 71 1.125 -10.757 -2.824 1.00 34.22 C ATOM 1073 CD LYS A 71 0.237 -9.997 -3.796 1.00 71.02 C ATOM 1074 CE LYS A 71 0.057 -10.755 -5.101 1.00 51.23 C ATOM 1075 NZ LYS A 71 -0.633 -9.930 -6.128 1.00 12.42 N ATOM 0 H LYS A 71 0.149 -13.532 -0.359 1.00 24.42 H new ATOM 0 HA LYS A 71 0.141 -10.707 -0.419 1.00 12.44 H new ATOM 0 HB2 LYS A 71 1.131 -12.711 -1.955 1.00 61.04 H new ATOM 0 HB3 LYS A 71 -0.306 -12.344 -2.887 1.00 61.04 H new ATOM 0 HG2 LYS A 71 1.477 -10.076 -2.050 1.00 34.22 H new ATOM 0 HG3 LYS A 71 2.006 -11.123 -3.351 1.00 34.22 H new ATOM 0 HD2 LYS A 71 -0.737 -9.822 -3.339 1.00 71.02 H new ATOM 0 HD3 LYS A 71 0.674 -9.019 -4.000 1.00 71.02 H new ATOM 0 HE2 LYS A 71 1.031 -11.065 -5.479 1.00 51.23 H new ATOM 0 HE3 LYS A 71 -0.518 -11.663 -4.918 1.00 51.23 H new ATOM 0 HZ1 LYS A 71 -1.178 -10.549 -6.762 1.00 12.42 H new ATOM 0 HZ2 LYS A 71 -1.276 -9.260 -5.660 1.00 12.42 H new ATOM 0 HZ3 LYS A 71 0.073 -9.403 -6.682 1.00 12.42 H new ATOM 1089 N LEU A 72 -2.562 -12.211 -1.549 1.00 53.32 N ATOM 1090 CA LEU A 72 -3.967 -12.022 -1.886 1.00 54.32 C ATOM 1091 C LEU A 72 -4.754 -11.479 -0.696 1.00 24.15 C ATOM 1092 O LEU A 72 -5.548 -10.557 -0.850 1.00 43.55 O ATOM 1093 CB LEU A 72 -4.583 -13.339 -2.364 1.00 75.55 C ATOM 1094 CG LEU A 72 -3.920 -13.961 -3.596 1.00 40.33 C ATOM 1095 CD1 LEU A 72 -4.584 -15.281 -3.949 1.00 13.51 C ATOM 1096 CD2 LEU A 72 -3.980 -13.003 -4.778 1.00 23.11 C ATOM 0 H LEU A 72 -2.242 -13.178 -1.613 1.00 53.32 H new ATOM 0 HA LEU A 72 -4.020 -11.290 -2.692 1.00 54.32 H new ATOM 0 HB2 LEU A 72 -4.541 -14.059 -1.547 1.00 75.55 H new ATOM 0 HB3 LEU A 72 -5.637 -13.169 -2.585 1.00 75.55 H new ATOM 0 HG LEU A 72 -2.873 -14.153 -3.361 1.00 40.33 H new ATOM 0 HD11 LEU A 72 -4.100 -15.709 -4.827 1.00 13.51 H new ATOM 0 HD12 LEU A 72 -4.490 -15.971 -3.111 1.00 13.51 H new ATOM 0 HD13 LEU A 72 -5.639 -15.112 -4.163 1.00 13.51 H new ATOM 0 HD21 LEU A 72 -3.504 -13.463 -5.644 1.00 23.11 H new ATOM 0 HD22 LEU A 72 -5.021 -12.779 -5.013 1.00 23.11 H new ATOM 0 HD23 LEU A 72 -3.459 -12.080 -4.525 1.00 23.11 H new ATOM 1108 N ILE A 73 -4.527 -12.047 0.485 1.00 22.42 N ATOM 1109 CA ILE A 73 -5.234 -11.614 1.689 1.00 21.35 C ATOM 1110 C ILE A 73 -4.962 -10.140 1.982 1.00 51.44 C ATOM 1111 O ILE A 73 -5.873 -9.384 2.334 1.00 70.51 O ATOM 1112 CB ILE A 73 -4.847 -12.465 2.918 1.00 24.05 C ATOM 1113 CG1 ILE A 73 -5.262 -13.919 2.705 1.00 42.03 C ATOM 1114 CG2 ILE A 73 -5.482 -11.915 4.190 1.00 54.23 C ATOM 1115 CD1 ILE A 73 -6.748 -14.112 2.487 1.00 21.32 C ATOM 0 H ILE A 73 -3.862 -12.806 0.635 1.00 22.42 H new ATOM 0 HA ILE A 73 -6.298 -11.751 1.498 1.00 21.35 H new ATOM 0 HB ILE A 73 -3.764 -12.419 3.034 1.00 24.05 H new ATOM 0 HG12 ILE A 73 -4.725 -14.317 1.844 1.00 42.03 H new ATOM 0 HG13 ILE A 73 -4.954 -14.504 3.571 1.00 42.03 H new ATOM 0 HG21 ILE A 73 -5.192 -12.534 5.039 1.00 54.23 H new ATOM 0 HG22 ILE A 73 -5.142 -10.893 4.354 1.00 54.23 H new ATOM 0 HG23 ILE A 73 -6.567 -11.924 4.088 1.00 54.23 H new ATOM 0 HD11 ILE A 73 -6.960 -15.172 2.344 1.00 21.32 H new ATOM 0 HD12 ILE A 73 -7.294 -13.747 3.357 1.00 21.32 H new ATOM 0 HD13 ILE A 73 -7.061 -13.557 1.603 1.00 21.32 H new ATOM 1127 N PHE A 74 -3.707 -9.736 1.826 1.00 22.10 N ATOM 1128 CA PHE A 74 -3.328 -8.340 2.001 1.00 4.10 C ATOM 1129 C PHE A 74 -4.082 -7.458 1.010 1.00 74.34 C ATOM 1130 O PHE A 74 -4.663 -6.437 1.389 1.00 60.42 O ATOM 1131 CB PHE A 74 -1.817 -8.178 1.816 1.00 63.31 C ATOM 1132 CG PHE A 74 -1.329 -6.760 1.951 1.00 15.12 C ATOM 1133 CD1 PHE A 74 -1.169 -6.184 3.203 1.00 4.24 C ATOM 1134 CD2 PHE A 74 -1.021 -6.008 0.826 1.00 24.13 C ATOM 1135 CE1 PHE A 74 -0.715 -4.885 3.330 1.00 62.30 C ATOM 1136 CE2 PHE A 74 -0.566 -4.709 0.949 1.00 21.42 C ATOM 1137 CZ PHE A 74 -0.414 -4.146 2.201 1.00 73.45 C ATOM 0 H PHE A 74 -2.935 -10.355 1.579 1.00 22.10 H new ATOM 0 HA PHE A 74 -3.592 -8.029 3.012 1.00 4.10 H new ATOM 0 HB2 PHE A 74 -1.303 -8.799 2.550 1.00 63.31 H new ATOM 0 HB3 PHE A 74 -1.540 -8.554 0.831 1.00 63.31 H new ATOM 0 HD1 PHE A 74 -1.402 -6.757 4.088 1.00 4.24 H new ATOM 0 HD2 PHE A 74 -1.138 -6.443 -0.156 1.00 24.13 H new ATOM 0 HE1 PHE A 74 -0.595 -4.448 4.310 1.00 62.30 H new ATOM 0 HE2 PHE A 74 -0.329 -4.134 0.066 1.00 21.42 H new ATOM 0 HZ PHE A 74 -0.061 -3.130 2.298 1.00 73.45 H new ATOM 1147 N GLU A 75 -4.089 -7.873 -0.252 1.00 65.23 N ATOM 1148 CA GLU A 75 -4.769 -7.125 -1.301 1.00 72.45 C ATOM 1149 C GLU A 75 -6.271 -7.046 -1.039 1.00 43.41 C ATOM 1150 O GLU A 75 -6.889 -6.006 -1.271 1.00 41.34 O ATOM 1151 CB GLU A 75 -4.499 -7.740 -2.674 1.00 2.11 C ATOM 1152 CG GLU A 75 -3.069 -7.567 -3.152 1.00 44.04 C ATOM 1153 CD GLU A 75 -2.933 -7.804 -4.640 1.00 42.54 C ATOM 1154 OE1 GLU A 75 -2.773 -8.969 -5.054 1.00 11.23 O ATOM 1155 OE2 GLU A 75 -3.000 -6.820 -5.409 1.00 10.13 O ATOM 0 H GLU A 75 -3.630 -8.725 -0.573 1.00 65.23 H new ATOM 0 HA GLU A 75 -4.370 -6.111 -1.293 1.00 72.45 H new ATOM 0 HB2 GLU A 75 -4.734 -8.804 -2.638 1.00 2.11 H new ATOM 0 HB3 GLU A 75 -5.173 -7.289 -3.403 1.00 2.11 H new ATOM 0 HG2 GLU A 75 -2.727 -6.560 -2.913 1.00 44.04 H new ATOM 0 HG3 GLU A 75 -2.421 -8.260 -2.614 1.00 44.04 H new ATOM 1162 N LEU A 76 -6.847 -8.132 -0.535 1.00 22.31 N ATOM 1163 CA LEU A 76 -8.251 -8.176 -0.192 1.00 32.41 C ATOM 1164 C LEU A 76 -8.588 -7.119 0.855 1.00 42.03 C ATOM 1165 O LEU A 76 -9.599 -6.419 0.749 1.00 32.30 O ATOM 1166 CB LEU A 76 -8.589 -9.570 0.324 1.00 4.11 C ATOM 1167 CG LEU A 76 -8.569 -10.678 -0.732 1.00 3.41 C ATOM 1168 CD1 LEU A 76 -8.832 -12.032 -0.091 1.00 55.34 C ATOM 1169 CD2 LEU A 76 -9.595 -10.398 -1.819 1.00 32.44 C ATOM 0 H LEU A 76 -6.348 -9.003 -0.355 1.00 22.31 H new ATOM 0 HA LEU A 76 -8.846 -7.961 -1.079 1.00 32.41 H new ATOM 0 HB2 LEU A 76 -7.883 -9.829 1.113 1.00 4.11 H new ATOM 0 HB3 LEU A 76 -9.579 -9.541 0.779 1.00 4.11 H new ATOM 0 HG LEU A 76 -7.579 -10.698 -1.188 1.00 3.41 H new ATOM 0 HD11 LEU A 76 -8.814 -12.807 -0.857 1.00 55.34 H new ATOM 0 HD12 LEU A 76 -8.062 -12.238 0.652 1.00 55.34 H new ATOM 0 HD13 LEU A 76 -9.809 -12.022 0.392 1.00 55.34 H new ATOM 0 HD21 LEU A 76 -9.566 -11.196 -2.561 1.00 32.44 H new ATOM 0 HD22 LEU A 76 -10.590 -10.350 -1.376 1.00 32.44 H new ATOM 0 HD23 LEU A 76 -9.365 -9.447 -2.300 1.00 32.44 H new ATOM 1181 N LYS A 77 -7.727 -6.995 1.859 1.00 70.42 N ATOM 1182 CA LYS A 77 -7.909 -5.988 2.893 1.00 23.23 C ATOM 1183 C LYS A 77 -7.705 -4.583 2.331 1.00 44.55 C ATOM 1184 O LYS A 77 -8.479 -3.672 2.628 1.00 65.34 O ATOM 1185 CB LYS A 77 -6.955 -6.230 4.066 1.00 12.15 C ATOM 1186 CG LYS A 77 -7.372 -7.380 4.966 1.00 30.32 C ATOM 1187 CD LYS A 77 -6.420 -7.541 6.141 1.00 44.21 C ATOM 1188 CE LYS A 77 -6.975 -8.492 7.193 1.00 54.30 C ATOM 1189 NZ LYS A 77 -7.140 -9.875 6.676 1.00 51.33 N ATOM 0 H LYS A 77 -6.899 -7.578 1.977 1.00 70.42 H new ATOM 0 HA LYS A 77 -8.933 -6.069 3.256 1.00 23.23 H new ATOM 0 HB2 LYS A 77 -5.957 -6.429 3.676 1.00 12.15 H new ATOM 0 HB3 LYS A 77 -6.888 -5.320 4.662 1.00 12.15 H new ATOM 0 HG2 LYS A 77 -8.382 -7.206 5.336 1.00 30.32 H new ATOM 0 HG3 LYS A 77 -7.399 -8.304 4.389 1.00 30.32 H new ATOM 0 HD2 LYS A 77 -5.461 -7.915 5.783 1.00 44.21 H new ATOM 0 HD3 LYS A 77 -6.234 -6.567 6.594 1.00 44.21 H new ATOM 0 HE2 LYS A 77 -6.307 -8.506 8.054 1.00 54.30 H new ATOM 0 HE3 LYS A 77 -7.938 -8.120 7.543 1.00 54.30 H new ATOM 0 HZ1 LYS A 77 -7.520 -10.484 7.429 1.00 51.33 H new ATOM 0 HZ2 LYS A 77 -7.798 -9.868 5.871 1.00 51.33 H new ATOM 0 HZ3 LYS A 77 -6.218 -10.242 6.366 1.00 51.33 H new ATOM 1203 N THR A 78 -6.677 -4.411 1.506 1.00 24.54 N ATOM 1204 CA THR A 78 -6.386 -3.104 0.931 1.00 22.53 C ATOM 1205 C THR A 78 -7.480 -2.659 -0.037 1.00 71.03 C ATOM 1206 O THR A 78 -7.720 -1.469 -0.192 1.00 43.32 O ATOM 1207 CB THR A 78 -5.015 -3.069 0.224 1.00 11.05 C ATOM 1208 OG1 THR A 78 -4.903 -4.149 -0.709 1.00 20.04 O ATOM 1209 CG2 THR A 78 -3.884 -3.148 1.237 1.00 44.03 C ATOM 0 H THR A 78 -6.037 -5.153 1.223 1.00 24.54 H new ATOM 0 HA THR A 78 -6.353 -2.405 1.767 1.00 22.53 H new ATOM 0 HB THR A 78 -4.939 -2.124 -0.315 1.00 11.05 H new ATOM 0 HG1 THR A 78 -5.777 -4.580 -0.817 1.00 20.04 H new ATOM 0 HG21 THR A 78 -2.927 -3.122 0.716 1.00 44.03 H new ATOM 0 HG22 THR A 78 -3.948 -2.302 1.921 1.00 44.03 H new ATOM 0 HG23 THR A 78 -3.965 -4.077 1.801 1.00 44.03 H new ATOM 1217 N ARG A 79 -8.156 -3.613 -0.670 1.00 45.03 N ATOM 1218 CA ARG A 79 -9.266 -3.306 -1.555 1.00 55.03 C ATOM 1219 C ARG A 79 -10.361 -2.551 -0.818 1.00 11.33 C ATOM 1220 O ARG A 79 -10.911 -1.579 -1.325 1.00 15.01 O ATOM 1221 CB ARG A 79 -9.830 -4.597 -2.131 1.00 4.44 C ATOM 1222 CG ARG A 79 -9.212 -5.011 -3.454 1.00 35.24 C ATOM 1223 CD ARG A 79 -9.848 -4.278 -4.629 1.00 71.01 C ATOM 1224 NE ARG A 79 -9.499 -2.857 -4.672 1.00 43.34 N ATOM 1225 CZ ARG A 79 -10.397 -1.867 -4.740 1.00 21.32 C ATOM 1226 NH1 ARG A 79 -11.697 -2.138 -4.717 1.00 0.12 N ATOM 1227 NH2 ARG A 79 -9.992 -0.609 -4.849 1.00 70.32 N ATOM 0 H ARG A 79 -7.950 -4.608 -0.583 1.00 45.03 H new ATOM 0 HA ARG A 79 -8.898 -2.671 -2.361 1.00 55.03 H new ATOM 0 HB2 ARG A 79 -9.683 -5.399 -1.408 1.00 4.44 H new ATOM 0 HB3 ARG A 79 -10.906 -4.482 -2.265 1.00 4.44 H new ATOM 0 HG2 ARG A 79 -8.141 -4.807 -3.435 1.00 35.24 H new ATOM 0 HG3 ARG A 79 -9.329 -6.086 -3.590 1.00 35.24 H new ATOM 0 HD2 ARG A 79 -9.534 -4.752 -5.559 1.00 71.01 H new ATOM 0 HD3 ARG A 79 -10.932 -4.379 -4.570 1.00 71.01 H new ATOM 0 HE ARG A 79 -8.511 -2.606 -4.649 1.00 43.34 H new ATOM 0 HH11 ARG A 79 -12.015 -3.105 -4.647 1.00 0.12 H new ATOM 0 HH12 ARG A 79 -12.377 -1.380 -4.769 1.00 0.12 H new ATOM 0 HH21 ARG A 79 -8.995 -0.395 -4.881 1.00 70.32 H new ATOM 0 HH22 ARG A 79 -10.677 0.145 -4.901 1.00 70.32 H new ATOM 1241 N SER A 80 -10.670 -3.009 0.384 1.00 71.04 N ATOM 1242 CA SER A 80 -11.734 -2.438 1.175 1.00 43.20 C ATOM 1243 C SER A 80 -11.293 -1.142 1.852 1.00 34.45 C ATOM 1244 O SER A 80 -12.125 -0.347 2.292 1.00 42.32 O ATOM 1245 CB SER A 80 -12.172 -3.467 2.211 1.00 73.01 C ATOM 1246 OG SER A 80 -12.419 -4.725 1.600 1.00 32.51 O ATOM 0 H SER A 80 -10.187 -3.787 0.834 1.00 71.04 H new ATOM 0 HA SER A 80 -12.571 -2.186 0.524 1.00 43.20 H new ATOM 0 HB2 SER A 80 -11.400 -3.573 2.973 1.00 73.01 H new ATOM 0 HB3 SER A 80 -13.073 -3.120 2.716 1.00 73.01 H new ATOM 0 HG SER A 80 -12.697 -5.371 2.282 1.00 32.51 H new ATOM 1252 N LEU A 81 -9.986 -0.935 1.921 1.00 72.22 N ATOM 1253 CA LEU A 81 -9.422 0.248 2.531 1.00 70.11 C ATOM 1254 C LEU A 81 -9.197 1.335 1.479 1.00 32.14 C ATOM 1255 O LEU A 81 -9.449 2.517 1.721 1.00 13.35 O ATOM 1256 CB LEU A 81 -8.109 -0.130 3.220 1.00 13.45 C ATOM 1257 CG LEU A 81 -7.164 1.026 3.486 1.00 12.10 C ATOM 1258 CD1 LEU A 81 -7.755 1.975 4.520 1.00 41.10 C ATOM 1259 CD2 LEU A 81 -5.807 0.516 3.940 1.00 32.53 C ATOM 0 H LEU A 81 -9.291 -1.586 1.554 1.00 72.22 H new ATOM 0 HA LEU A 81 -10.114 0.647 3.273 1.00 70.11 H new ATOM 0 HB2 LEU A 81 -8.341 -0.614 4.168 1.00 13.45 H new ATOM 0 HB3 LEU A 81 -7.593 -0.866 2.604 1.00 13.45 H new ATOM 0 HG LEU A 81 -7.027 1.577 2.555 1.00 12.10 H new ATOM 0 HD11 LEU A 81 -7.062 2.798 4.697 1.00 41.10 H new ATOM 0 HD12 LEU A 81 -8.701 2.371 4.152 1.00 41.10 H new ATOM 0 HD13 LEU A 81 -7.925 1.437 5.453 1.00 41.10 H new ATOM 0 HD21 LEU A 81 -5.144 1.361 4.125 1.00 32.53 H new ATOM 0 HD22 LEU A 81 -5.924 -0.062 4.857 1.00 32.53 H new ATOM 0 HD23 LEU A 81 -5.378 -0.118 3.164 1.00 32.53 H new ATOM 1271 N ALA A 82 -8.756 0.915 0.303 1.00 72.55 N ATOM 1272 CA ALA A 82 -8.481 1.835 -0.795 1.00 10.40 C ATOM 1273 C ALA A 82 -9.718 1.997 -1.660 1.00 2.41 C ATOM 1274 O ALA A 82 -9.656 2.477 -2.792 1.00 3.10 O ATOM 1275 CB ALA A 82 -7.307 1.343 -1.627 1.00 43.53 C ATOM 0 H ALA A 82 -8.579 -0.065 0.082 1.00 72.55 H new ATOM 0 HA ALA A 82 -8.216 2.806 -0.378 1.00 10.40 H new ATOM 0 HB1 ALA A 82 -7.119 2.044 -2.441 1.00 43.53 H new ATOM 0 HB2 ALA A 82 -6.420 1.271 -0.998 1.00 43.53 H new ATOM 0 HB3 ALA A 82 -7.540 0.361 -2.040 1.00 43.53 H new ATOM 1281 N ARG A 83 -10.836 1.579 -1.101 1.00 42.40 N ATOM 1282 CA ARG A 83 -12.132 1.725 -1.733 1.00 2.41 C ATOM 1283 C ARG A 83 -12.509 3.203 -1.798 1.00 33.52 C ATOM 1284 O ARG A 83 -12.104 3.991 -0.942 1.00 63.32 O ATOM 1285 CB ARG A 83 -13.162 0.916 -0.940 1.00 70.55 C ATOM 1286 CG ARG A 83 -14.607 1.139 -1.351 1.00 43.43 C ATOM 1287 CD ARG A 83 -15.536 0.192 -0.610 1.00 35.50 C ATOM 1288 NE ARG A 83 -15.154 0.044 0.796 1.00 32.02 N ATOM 1289 CZ ARG A 83 -15.808 -0.717 1.671 1.00 53.41 C ATOM 1290 NH1 ARG A 83 -16.973 -1.267 1.343 1.00 11.21 N ATOM 1291 NH2 ARG A 83 -15.314 -0.888 2.889 1.00 23.54 N ATOM 0 H ARG A 83 -10.871 1.125 -0.188 1.00 42.40 H new ATOM 0 HA ARG A 83 -12.104 1.345 -2.754 1.00 2.41 H new ATOM 0 HB2 ARG A 83 -12.929 -0.144 -1.046 1.00 70.55 H new ATOM 0 HB3 ARG A 83 -13.059 1.161 0.117 1.00 70.55 H new ATOM 0 HG2 ARG A 83 -14.893 2.170 -1.144 1.00 43.43 H new ATOM 0 HG3 ARG A 83 -14.711 0.989 -2.426 1.00 43.43 H new ATOM 0 HD2 ARG A 83 -16.559 0.564 -0.671 1.00 35.50 H new ATOM 0 HD3 ARG A 83 -15.522 -0.784 -1.095 1.00 35.50 H new ATOM 0 HE ARG A 83 -14.336 0.556 1.126 1.00 32.02 H new ATOM 0 HH11 ARG A 83 -17.370 -1.107 0.417 1.00 11.21 H new ATOM 0 HH12 ARG A 83 -17.470 -1.849 2.017 1.00 11.21 H new ATOM 0 HH21 ARG A 83 -14.437 -0.438 3.152 1.00 23.54 H new ATOM 0 HH22 ARG A 83 -15.811 -1.470 3.564 1.00 23.54 H new ATOM 1305 N LEU A 84 -13.287 3.577 -2.803 1.00 3.41 N ATOM 1306 CA LEU A 84 -13.589 4.980 -3.054 1.00 2.20 C ATOM 1307 C LEU A 84 -14.714 5.494 -2.171 1.00 50.32 C ATOM 1308 O LEU A 84 -15.401 6.448 -2.523 1.00 23.13 O ATOM 1309 CB LEU A 84 -13.954 5.186 -4.519 1.00 42.32 C ATOM 1310 CG LEU A 84 -12.824 4.924 -5.517 1.00 45.23 C ATOM 1311 CD1 LEU A 84 -13.331 5.078 -6.942 1.00 62.15 C ATOM 1312 CD2 LEU A 84 -11.656 5.868 -5.258 1.00 71.33 C ATOM 0 H LEU A 84 -13.722 2.928 -3.459 1.00 3.41 H new ATOM 0 HA LEU A 84 -12.691 5.549 -2.812 1.00 2.20 H new ATOM 0 HB2 LEU A 84 -14.791 4.532 -4.763 1.00 42.32 H new ATOM 0 HB3 LEU A 84 -14.301 6.211 -4.649 1.00 42.32 H new ATOM 0 HG LEU A 84 -12.473 3.900 -5.385 1.00 45.23 H new ATOM 0 HD11 LEU A 84 -12.516 4.889 -7.641 1.00 62.15 H new ATOM 0 HD12 LEU A 84 -14.136 4.365 -7.121 1.00 62.15 H new ATOM 0 HD13 LEU A 84 -13.705 6.091 -7.087 1.00 62.15 H new ATOM 0 HD21 LEU A 84 -10.861 5.669 -5.976 1.00 71.33 H new ATOM 0 HD22 LEU A 84 -11.991 6.900 -5.365 1.00 71.33 H new ATOM 0 HD23 LEU A 84 -11.279 5.712 -4.247 1.00 71.33 H new ATOM 1324 N GLU A 85 -14.879 4.885 -1.016 1.00 54.21 N ATOM 1325 CA GLU A 85 -15.898 5.312 -0.072 1.00 41.44 C ATOM 1326 C GLU A 85 -15.528 4.944 1.353 1.00 72.33 C ATOM 1327 O GLU A 85 -14.771 4.005 1.600 1.00 33.44 O ATOM 1328 CB GLU A 85 -17.268 4.714 -0.398 1.00 1.00 C ATOM 1329 CG GLU A 85 -17.278 3.195 -0.456 1.00 75.11 C ATOM 1330 CD GLU A 85 -18.667 2.621 -0.637 1.00 73.13 C ATOM 1331 OE1 GLU A 85 -19.569 2.974 0.148 1.00 44.12 O ATOM 1332 OE2 GLU A 85 -18.871 1.809 -1.563 1.00 23.40 O ATOM 0 H GLU A 85 -14.321 4.090 -0.705 1.00 54.21 H new ATOM 0 HA GLU A 85 -15.956 6.397 -0.161 1.00 41.44 H new ATOM 0 HB2 GLU A 85 -17.986 5.044 0.353 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -17.606 5.107 -1.357 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -16.644 2.864 -1.278 1.00 75.11 H new ATOM 0 HG3 GLU A 85 -16.843 2.799 0.462 1.00 75.11 H new ATOM 1339 N HIS A 86 -16.076 5.707 2.277 1.00 23.12 N ATOM 1340 CA HIS A 86 -15.956 5.420 3.702 1.00 75.21 C ATOM 1341 C HIS A 86 -17.310 4.995 4.258 1.00 72.33 C ATOM 1342 O HIS A 86 -17.401 4.369 5.311 1.00 41.20 O ATOM 1343 CB HIS A 86 -15.421 6.638 4.463 1.00 52.33 C ATOM 1344 CG HIS A 86 -13.984 6.504 4.872 1.00 13.02 C ATOM 1345 ND1 HIS A 86 -13.558 6.648 6.175 1.00 44.23 N ATOM 1346 CD2 HIS A 86 -12.872 6.233 4.144 1.00 14.44 C ATOM 1347 CE1 HIS A 86 -12.252 6.474 6.232 1.00 11.33 C ATOM 1348 NE2 HIS A 86 -11.808 6.222 5.016 1.00 1.01 N ATOM 0 H HIS A 86 -16.618 6.545 2.067 1.00 23.12 H new ATOM 0 HA HIS A 86 -15.245 4.605 3.834 1.00 75.21 H new ATOM 0 HB2 HIS A 86 -15.532 7.524 3.838 1.00 52.33 H new ATOM 0 HB3 HIS A 86 -16.030 6.797 5.353 1.00 52.33 H new ATOM 0 HD2 HIS A 86 -12.830 6.059 3.079 1.00 14.44 H new ATOM 0 HE1 HIS A 86 -11.647 6.529 7.125 1.00 11.33 H new ATOM 0 HE2 HIS A 86 -10.835 6.048 4.763 1.00 1.01 H new ATOM 1357 N HIS A 87 -18.354 5.342 3.516 1.00 54.35 N ATOM 1358 CA HIS A 87 -19.726 4.978 3.852 1.00 71.42 C ATOM 1359 C HIS A 87 -20.618 5.323 2.663 1.00 21.34 C ATOM 1360 O HIS A 87 -21.515 4.570 2.293 1.00 33.50 O ATOM 1361 CB HIS A 87 -20.209 5.695 5.135 1.00 54.23 C ATOM 1362 CG HIS A 87 -20.411 7.181 5.006 1.00 54.42 C ATOM 1363 ND1 HIS A 87 -21.642 7.745 4.752 1.00 51.14 N ATOM 1364 CD2 HIS A 87 -19.541 8.218 5.106 1.00 4.22 C ATOM 1365 CE1 HIS A 87 -21.522 9.058 4.695 1.00 43.22 C ATOM 1366 NE2 HIS A 87 -20.259 9.371 4.908 1.00 3.12 N ATOM 0 H HIS A 87 -18.273 5.888 2.658 1.00 54.35 H new ATOM 0 HA HIS A 87 -19.776 3.909 4.057 1.00 71.42 H new ATOM 0 HB2 HIS A 87 -21.149 5.244 5.451 1.00 54.23 H new ATOM 0 HB3 HIS A 87 -19.485 5.511 5.928 1.00 54.23 H new ATOM 0 HD2 HIS A 87 -18.482 8.149 5.304 1.00 4.22 H new ATOM 0 HE1 HIS A 87 -22.323 9.758 4.506 1.00 43.22 H new ATOM 0 HE2 HIS A 87 -19.877 10.317 4.923 1.00 3.12 H new ATOM 1375 N HIS A 88 -20.329 6.480 2.076 1.00 52.41 N ATOM 1376 CA HIS A 88 -20.953 6.960 0.849 1.00 55.03 C ATOM 1377 C HIS A 88 -20.125 8.123 0.340 1.00 23.11 C ATOM 1378 O HIS A 88 -19.813 9.039 1.100 1.00 75.53 O ATOM 1379 CB HIS A 88 -22.401 7.419 1.071 1.00 14.51 C ATOM 1380 CG HIS A 88 -23.432 6.351 0.860 1.00 34.22 C ATOM 1381 ND1 HIS A 88 -24.608 6.299 1.569 1.00 14.23 N ATOM 1382 CD2 HIS A 88 -23.460 5.296 0.013 1.00 63.30 C ATOM 1383 CE1 HIS A 88 -25.315 5.260 1.171 1.00 62.03 C ATOM 1384 NE2 HIS A 88 -24.642 4.630 0.227 1.00 41.02 N ATOM 0 H HIS A 88 -19.635 7.127 2.451 1.00 52.41 H new ATOM 0 HA HIS A 88 -20.987 6.143 0.128 1.00 55.03 H new ATOM 0 HB2 HIS A 88 -22.496 7.802 2.087 1.00 14.51 H new ATOM 0 HB3 HIS A 88 -22.613 8.249 0.397 1.00 14.51 H new ATOM 0 HD2 HIS A 88 -22.694 5.027 -0.700 1.00 63.30 H new ATOM 0 HE1 HIS A 88 -26.283 4.973 1.554 1.00 62.03 H new ATOM 0 HE2 HIS A 88 -24.948 3.789 -0.262 1.00 41.02 H new ATOM 1393 N HIS A 89 -19.739 8.079 -0.919 1.00 12.00 N ATOM 1394 CA HIS A 89 -18.860 9.095 -1.473 1.00 52.15 C ATOM 1395 C HIS A 89 -19.621 9.980 -2.447 1.00 43.55 C ATOM 1396 O HIS A 89 -19.252 11.132 -2.676 1.00 64.15 O ATOM 1397 CB HIS A 89 -17.674 8.431 -2.174 1.00 14.41 C ATOM 1398 CG HIS A 89 -16.531 9.358 -2.459 1.00 2.31 C ATOM 1399 ND1 HIS A 89 -15.484 9.541 -1.581 1.00 54.13 N ATOM 1400 CD2 HIS A 89 -16.261 10.140 -3.532 1.00 24.41 C ATOM 1401 CE1 HIS A 89 -14.621 10.393 -2.100 1.00 42.32 C ATOM 1402 NE2 HIS A 89 -15.068 10.773 -3.281 1.00 1.42 N ATOM 0 H HIS A 89 -20.018 7.353 -1.579 1.00 12.00 H new ATOM 0 HA HIS A 89 -18.487 9.719 -0.661 1.00 52.15 H new ATOM 0 HB2 HIS A 89 -17.315 7.609 -1.555 1.00 14.41 H new ATOM 0 HB3 HIS A 89 -18.018 7.997 -3.113 1.00 14.41 H new ATOM 0 HD2 HIS A 89 -16.869 10.246 -4.418 1.00 24.41 H new ATOM 0 HE1 HIS A 89 -13.703 10.723 -1.636 1.00 42.32 H new ATOM 0 HE2 HIS A 89 -14.603 11.431 -3.907 1.00 1.42 H new ATOM 1411 N HIS A 90 -20.686 9.439 -3.010 1.00 62.11 N ATOM 1412 CA HIS A 90 -21.478 10.162 -3.987 1.00 31.00 C ATOM 1413 C HIS A 90 -22.404 11.160 -3.298 1.00 10.00 C ATOM 1414 O HIS A 90 -23.166 10.802 -2.400 1.00 14.32 O ATOM 1415 CB HIS A 90 -22.296 9.187 -4.835 1.00 1.42 C ATOM 1416 CG HIS A 90 -22.881 9.814 -6.061 1.00 45.05 C ATOM 1417 ND1 HIS A 90 -24.154 10.337 -6.111 1.00 74.14 N ATOM 1418 CD2 HIS A 90 -22.351 10.005 -7.290 1.00 33.42 C ATOM 1419 CE1 HIS A 90 -24.383 10.817 -7.317 1.00 20.31 C ATOM 1420 NE2 HIS A 90 -23.304 10.631 -8.052 1.00 21.21 N ATOM 0 H HIS A 90 -21.023 8.498 -2.806 1.00 62.11 H new ATOM 0 HA HIS A 90 -20.798 10.712 -4.638 1.00 31.00 H new ATOM 0 HB2 HIS A 90 -21.661 8.352 -5.131 1.00 1.42 H new ATOM 0 HB3 HIS A 90 -23.101 8.775 -4.227 1.00 1.42 H new ATOM 0 HD2 HIS A 90 -21.361 9.718 -7.612 1.00 33.42 H new ATOM 0 HE1 HIS A 90 -25.299 11.284 -7.647 1.00 20.31 H new ATOM 0 HE2 HIS A 90 -23.196 10.908 -9.028 1.00 21.21 H new ATOM 1429 N HIS A 91 -22.316 12.410 -3.711 1.00 32.25 N ATOM 1430 CA HIS A 91 -23.198 13.453 -3.210 1.00 44.31 C ATOM 1431 C HIS A 91 -23.931 14.109 -4.369 1.00 30.25 C ATOM 1432 O HIS A 91 -25.114 13.784 -4.578 1.00 35.86 O ATOM 1433 CB HIS A 91 -22.415 14.501 -2.415 1.00 63.24 C ATOM 1434 CG HIS A 91 -22.120 14.093 -1.004 1.00 11.21 C ATOM 1435 ND1 HIS A 91 -20.857 13.778 -0.549 1.00 2.52 N ATOM 1436 CD2 HIS A 91 -22.940 13.971 0.065 1.00 54.33 C ATOM 1437 CE1 HIS A 91 -20.916 13.483 0.736 1.00 73.15 C ATOM 1438 NE2 HIS A 91 -22.169 13.594 1.137 1.00 11.04 N ATOM 1439 OXT HIS A 91 -23.308 14.911 -5.093 1.00 35.86 O ATOM 0 H HIS A 91 -21.636 12.732 -4.399 1.00 32.25 H new ATOM 0 HA HIS A 91 -23.925 12.996 -2.538 1.00 44.31 H new ATOM 0 HB2 HIS A 91 -21.475 14.706 -2.928 1.00 63.24 H new ATOM 0 HB3 HIS A 91 -22.981 15.432 -2.403 1.00 63.24 H new ATOM 0 HD2 HIS A 91 -24.007 14.139 0.074 1.00 54.33 H new ATOM 0 HE1 HIS A 91 -20.079 13.198 1.356 1.00 73.15 H new ATOM 0 HE2 HIS A 91 -22.508 13.428 2.085 1.00 11.04 H new TER 1448 HIS A 91