USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 837 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 3 LYS NZ :NH3+ -157:sc= -0.0395 (180deg=-0.373) USER MOD Single : A 4 GLN : amide:sc= -0.0261 K(o=-0.026,f=-1.3) USER MOD Single : A 7 SER OG : rot 180:sc= 0.00464 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.448 X(o=-0.45,f=-0.15) USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= -0.167 (180deg=-0.457) USER MOD Single : A 28 SER OG : rot 136:sc= -0.393 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 152:sc= 0 (180deg=-0.00165) USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= 0.271 (180deg=0.203) USER MOD Single : A 43 HIS : no HD1:sc= -0.323 X(o=-0.32,f=-0.015) USER MOD Single : A 44 SER OG : rot 69:sc= 0.888 USER MOD Single : A 46 SER OG : rot 94:sc= 0.0031 USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= -0.0295 (180deg=-0.457) USER MOD Single : A 49 TYR OH : rot 170:sc= 0.836 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.22) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -30:sc= 0.218 USER MOD Single : A 72 LYS NZ :NH3+ 158:sc= -0.0337 (180deg=-0.452) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.816 USER MOD Single : A 76 THR OG1 : rot 95:sc= 0.395 USER MOD Single : A 78 GLN :FLIP amide:sc= -1.45! C(o=-2.3!,f=-1.4!) USER MOD Single : A 81 LYS NZ :NH3+ 145:sc= 0.252 (180deg=0.00212) USER MOD Single : A 82 LYS NZ :NH3+ 169:sc= -1.92! (180deg=-2.8!) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.503 F(o=-3.2!,f=-0.5) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.869! C(o=-0.87!,f=-9.9!) USER MOD Single : A 94 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.249) USER MOD Single : A 96 LYS NZ :NH3+ 179:sc=-5.47e-05 (180deg=-0.0021) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.0232 K(o=-0.023,f=-1.5!) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN :FLIP amide:sc= -0.057 F(o=-2.1!,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.430 -2.411 8.842 1.00 0.20 N ATOM 37 CA LYS A 3 -1.445 -3.470 9.224 1.00 0.18 C ATOM 38 C LYS A 3 -0.071 -3.060 8.692 1.00 0.15 C ATOM 39 O LYS A 3 0.078 -2.729 7.533 1.00 0.16 O ATOM 40 CB LYS A 3 -1.872 -4.802 8.585 1.00 0.19 C ATOM 41 CG LYS A 3 -0.945 -5.949 9.034 1.00 0.20 C ATOM 42 CD LYS A 3 -1.263 -6.362 10.478 1.00 0.81 C ATOM 43 CE LYS A 3 -0.627 -7.724 10.777 1.00 1.03 C ATOM 44 NZ LYS A 3 -1.373 -8.793 10.054 1.00 1.67 N ATOM 0 HA LYS A 3 -1.405 -3.587 10.307 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.901 -5.030 8.863 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.848 -4.713 7.499 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -1.067 -6.804 8.369 1.00 0.20 H new ATOM 0 HG3 LYS A 3 0.096 -5.634 8.960 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -0.884 -5.612 11.173 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.342 -6.414 10.622 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.419 -7.724 10.469 1.00 1.03 H new ATOM 0 HE3 LYS A 3 -0.643 -7.917 11.850 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -1.221 -9.705 10.530 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -2.388 -8.568 10.053 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -1.031 -8.853 9.074 1.00 1.67 H new ATOM 58 N GLN A 4 0.937 -3.086 9.524 1.00 0.15 N ATOM 59 CA GLN A 4 2.307 -2.705 9.059 1.00 0.14 C ATOM 60 C GLN A 4 3.093 -3.975 8.737 1.00 0.12 C ATOM 61 O GLN A 4 3.246 -4.846 9.568 1.00 0.13 O ATOM 62 CB GLN A 4 3.023 -1.933 10.174 1.00 0.16 C ATOM 63 CG GLN A 4 4.414 -1.489 9.700 1.00 0.17 C ATOM 64 CD GLN A 4 5.133 -0.767 10.844 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.870 -1.026 12.001 1.00 0.29 O ATOM 66 NE2 GLN A 4 6.038 0.134 10.566 1.00 0.31 N ATOM 0 H GLN A 4 0.872 -3.354 10.506 1.00 0.15 H new ATOM 0 HA GLN A 4 2.236 -2.079 8.170 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.433 -1.062 10.461 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.116 -2.561 11.060 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.994 -2.354 9.379 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.323 -0.828 8.838 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.259 0.352 9.594 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.523 0.619 11.321 1.00 0.31 H new ATOM 75 N ILE A 5 3.608 -4.078 7.540 1.00 0.10 N ATOM 76 CA ILE A 5 4.404 -5.280 7.158 1.00 0.10 C ATOM 77 C ILE A 5 5.888 -4.933 7.236 1.00 0.10 C ATOM 78 O ILE A 5 6.382 -4.133 6.465 1.00 0.11 O ATOM 79 CB ILE A 5 4.071 -5.668 5.719 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.553 -5.755 5.530 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.703 -7.014 5.384 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.934 -6.636 6.619 1.00 0.19 C ATOM 0 H ILE A 5 3.510 -3.376 6.806 1.00 0.10 H new ATOM 0 HA ILE A 5 4.170 -6.105 7.831 1.00 0.10 H new ATOM 0 HB ILE A 5 4.470 -4.904 5.052 1.00 0.11 H new ATOM 0 HG12 ILE A 5 2.117 -4.757 5.568 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.325 -6.166 4.546 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.461 -7.284 4.356 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.785 -6.946 5.496 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.316 -7.776 6.060 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.855 -6.690 6.474 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.358 -7.638 6.561 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.147 -6.208 7.598 1.00 0.19 H new ATOM 94 N GLU A 6 6.609 -5.536 8.143 1.00 0.11 N ATOM 95 CA GLU A 6 8.070 -5.247 8.247 1.00 0.13 C ATOM 96 C GLU A 6 8.856 -6.340 7.525 1.00 0.12 C ATOM 97 O GLU A 6 10.068 -6.300 7.464 1.00 0.13 O ATOM 98 CB GLU A 6 8.489 -5.201 9.718 1.00 0.15 C ATOM 99 CG GLU A 6 7.707 -4.105 10.446 1.00 0.17 C ATOM 100 CD GLU A 6 8.198 -2.730 9.980 1.00 1.45 C ATOM 101 OE1 GLU A 6 9.310 -2.370 10.332 1.00 2.25 O ATOM 102 OE2 GLU A 6 7.455 -2.063 9.278 1.00 2.25 O ATOM 0 H GLU A 6 6.251 -6.215 8.815 1.00 0.11 H new ATOM 0 HA GLU A 6 8.279 -4.281 7.787 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.304 -6.166 10.189 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.559 -5.009 9.795 1.00 0.15 H new ATOM 0 HG2 GLU A 6 6.641 -4.210 10.245 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.839 -4.204 11.523 1.00 0.17 H new ATOM 109 N SER A 7 8.183 -7.316 6.961 1.00 0.12 N ATOM 110 CA SER A 7 8.926 -8.400 6.236 1.00 0.13 C ATOM 111 C SER A 7 8.052 -9.050 5.159 1.00 0.12 C ATOM 112 O SER A 7 6.839 -9.061 5.241 1.00 0.12 O ATOM 113 CB SER A 7 9.350 -9.478 7.232 1.00 0.15 C ATOM 114 OG SER A 7 8.195 -10.024 7.855 1.00 0.15 O ATOM 0 H SER A 7 7.167 -7.410 6.970 1.00 0.12 H new ATOM 0 HA SER A 7 9.796 -7.950 5.759 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.906 -10.263 6.720 1.00 0.15 H new ATOM 0 HB3 SER A 7 10.016 -9.053 7.983 1.00 0.15 H new ATOM 0 HG SER A 7 8.464 -10.717 8.493 1.00 0.15 H new ATOM 120 N LYS A 8 8.680 -9.627 4.164 1.00 0.14 N ATOM 121 CA LYS A 8 7.921 -10.317 3.083 1.00 0.15 C ATOM 122 C LYS A 8 7.154 -11.479 3.705 1.00 0.15 C ATOM 123 O LYS A 8 6.093 -11.853 3.251 1.00 0.16 O ATOM 124 CB LYS A 8 8.896 -10.857 2.037 1.00 0.18 C ATOM 125 CG LYS A 8 8.125 -11.302 0.792 1.00 0.21 C ATOM 126 CD LYS A 8 9.099 -11.850 -0.264 1.00 0.43 C ATOM 127 CE LYS A 8 9.876 -13.053 0.288 1.00 0.80 C ATOM 128 NZ LYS A 8 10.329 -13.913 -0.841 1.00 1.65 N ATOM 0 H LYS A 8 9.694 -9.648 4.056 1.00 0.14 H new ATOM 0 HA LYS A 8 7.233 -9.621 2.604 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.622 -10.088 1.771 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.457 -11.696 2.448 1.00 0.18 H new ATOM 0 HG2 LYS A 8 7.398 -12.068 1.060 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.566 -10.461 0.381 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.547 -12.145 -1.156 1.00 0.43 H new ATOM 0 HD3 LYS A 8 9.796 -11.067 -0.564 1.00 0.43 H new ATOM 0 HE2 LYS A 8 10.735 -12.711 0.866 1.00 0.80 H new ATOM 0 HE3 LYS A 8 9.244 -13.627 0.966 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 10.855 -14.728 -0.467 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 9.502 -14.250 -1.374 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 10.946 -13.362 -1.471 1.00 1.65 H new ATOM 142 N THR A 9 7.692 -12.057 4.747 1.00 0.15 N ATOM 143 CA THR A 9 6.993 -13.200 5.387 1.00 0.17 C ATOM 144 C THR A 9 5.617 -12.737 5.843 1.00 0.16 C ATOM 145 O THR A 9 4.615 -13.366 5.571 1.00 0.17 O ATOM 146 CB THR A 9 7.790 -13.684 6.601 1.00 0.19 C ATOM 147 OG1 THR A 9 9.114 -14.010 6.196 1.00 0.22 O ATOM 148 CG2 THR A 9 7.115 -14.924 7.191 1.00 0.23 C ATOM 0 H THR A 9 8.577 -11.787 5.176 1.00 0.15 H new ATOM 0 HA THR A 9 6.899 -14.018 4.673 1.00 0.17 H new ATOM 0 HB THR A 9 7.824 -12.897 7.354 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.627 -14.319 6.972 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.681 -15.270 8.056 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.100 -14.674 7.499 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.082 -15.713 6.439 1.00 0.23 H new ATOM 156 N ALA A 10 5.561 -11.630 6.520 1.00 0.15 N ATOM 157 CA ALA A 10 4.249 -11.110 6.978 1.00 0.15 C ATOM 158 C ALA A 10 3.438 -10.664 5.764 1.00 0.14 C ATOM 159 O ALA A 10 2.225 -10.695 5.770 1.00 0.15 O ATOM 160 CB ALA A 10 4.462 -9.927 7.922 1.00 0.17 C ATOM 0 H ALA A 10 6.368 -11.062 6.777 1.00 0.15 H new ATOM 0 HA ALA A 10 3.710 -11.894 7.510 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.496 -9.549 8.255 1.00 0.17 H new ATOM 0 HB2 ALA A 10 5.043 -10.251 8.786 1.00 0.17 H new ATOM 0 HB3 ALA A 10 5.000 -9.136 7.399 1.00 0.17 H new ATOM 166 N PHE A 11 4.096 -10.250 4.717 1.00 0.14 N ATOM 167 CA PHE A 11 3.345 -9.800 3.516 1.00 0.13 C ATOM 168 C PHE A 11 2.495 -10.958 3.014 1.00 0.14 C ATOM 169 O PHE A 11 1.338 -10.804 2.675 1.00 0.14 O ATOM 170 CB PHE A 11 4.342 -9.405 2.417 1.00 0.14 C ATOM 171 CG PHE A 11 3.603 -8.723 1.288 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.982 -7.488 1.507 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.544 -9.322 0.021 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.298 -6.856 0.466 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.861 -8.687 -1.022 1.00 0.14 C ATOM 176 CZ PHE A 11 2.236 -7.456 -0.798 1.00 0.14 C ATOM 0 H PHE A 11 5.112 -10.204 4.642 1.00 0.14 H new ATOM 0 HA PHE A 11 2.715 -8.947 3.767 1.00 0.13 H new ATOM 0 HB2 PHE A 11 5.102 -8.738 2.823 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.859 -10.289 2.045 1.00 0.14 H new ATOM 0 HD1 PHE A 11 3.032 -7.024 2.481 1.00 0.14 H new ATOM 0 HD2 PHE A 11 4.026 -10.273 -0.149 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.817 -5.904 0.636 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.816 -9.147 -1.998 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.705 -6.967 -1.601 1.00 0.14 H new ATOM 186 N GLN A 12 3.070 -12.118 2.976 1.00 0.14 N ATOM 187 CA GLN A 12 2.319 -13.309 2.503 1.00 0.16 C ATOM 188 C GLN A 12 1.203 -13.632 3.499 1.00 0.15 C ATOM 189 O GLN A 12 0.093 -13.951 3.124 1.00 0.16 O ATOM 190 CB GLN A 12 3.289 -14.489 2.453 1.00 0.18 C ATOM 191 CG GLN A 12 4.379 -14.214 1.415 1.00 0.17 C ATOM 192 CD GLN A 12 3.756 -14.122 0.019 1.00 0.40 C ATOM 193 OE1 GLN A 12 4.044 -13.210 -0.730 1.00 1.12 O ATOM 194 NE2 GLN A 12 2.907 -15.037 -0.365 1.00 1.31 N ATOM 0 H GLN A 12 4.035 -12.297 3.254 1.00 0.14 H new ATOM 0 HA GLN A 12 1.888 -13.119 1.520 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.738 -14.645 3.434 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.753 -15.403 2.198 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.896 -13.285 1.654 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.125 -15.008 1.439 1.00 0.17 H new ATOM 0 HE21 GLN A 12 2.664 -15.803 0.263 1.00 1.31 H new ATOM 0 HE22 GLN A 12 2.487 -14.985 -1.293 1.00 1.31 H new ATOM 203 N GLU A 13 1.503 -13.552 4.766 1.00 0.16 N ATOM 204 CA GLU A 13 0.480 -13.853 5.809 1.00 0.17 C ATOM 205 C GLU A 13 -0.649 -12.829 5.745 1.00 0.15 C ATOM 206 O GLU A 13 -1.805 -13.146 5.950 1.00 0.16 O ATOM 207 CB GLU A 13 1.151 -13.795 7.183 1.00 0.19 C ATOM 208 CG GLU A 13 2.212 -14.893 7.280 1.00 0.28 C ATOM 209 CD GLU A 13 1.538 -16.265 7.240 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.345 -16.325 7.489 1.00 1.77 O ATOM 211 OE2 GLU A 13 2.227 -17.230 6.957 1.00 1.67 O ATOM 0 H GLU A 13 2.420 -13.289 5.127 1.00 0.16 H new ATOM 0 HA GLU A 13 0.062 -14.845 5.638 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.609 -12.818 7.335 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.407 -13.924 7.969 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.921 -14.801 6.457 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.780 -14.783 8.204 1.00 0.28 H new ATOM 218 N ALA A 14 -0.324 -11.600 5.473 1.00 0.15 N ATOM 219 CA ALA A 14 -1.374 -10.556 5.403 1.00 0.14 C ATOM 220 C ALA A 14 -2.266 -10.827 4.189 1.00 0.13 C ATOM 221 O ALA A 14 -3.476 -10.737 4.261 1.00 0.13 O ATOM 222 CB ALA A 14 -0.710 -9.183 5.272 1.00 0.15 C ATOM 0 H ALA A 14 0.626 -11.274 5.296 1.00 0.15 H new ATOM 0 HA ALA A 14 -1.982 -10.573 6.307 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.478 -8.411 5.220 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.072 -9.003 6.138 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.106 -9.156 4.365 1.00 0.15 H new ATOM 228 N LEU A 15 -1.680 -11.169 3.073 1.00 0.12 N ATOM 229 CA LEU A 15 -2.498 -11.454 1.866 1.00 0.12 C ATOM 230 C LEU A 15 -3.423 -12.629 2.162 1.00 0.13 C ATOM 231 O LEU A 15 -4.570 -12.651 1.765 1.00 0.13 O ATOM 232 CB LEU A 15 -1.577 -11.824 0.697 1.00 0.13 C ATOM 233 CG LEU A 15 -0.795 -10.587 0.228 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.353 -11.030 -0.689 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.718 -9.625 -0.539 1.00 0.17 C ATOM 0 H LEU A 15 -0.672 -11.262 2.948 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.083 -10.573 1.603 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -0.884 -12.607 1.004 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.166 -12.225 -0.127 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.397 -10.070 1.101 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.910 -10.155 -1.024 1.00 0.17 H new ATOM 0 HD12 LEU A 15 1.019 -11.697 -0.142 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.054 -11.554 -1.554 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.148 -8.755 -0.864 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.131 -10.134 -1.410 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.531 -9.304 0.112 1.00 0.17 H new ATOM 247 N ASP A 16 -2.925 -13.609 2.859 1.00 0.13 N ATOM 248 CA ASP A 16 -3.761 -14.794 3.182 1.00 0.15 C ATOM 249 C ASP A 16 -4.853 -14.413 4.186 1.00 0.15 C ATOM 250 O ASP A 16 -5.950 -14.935 4.151 1.00 0.16 O ATOM 251 CB ASP A 16 -2.872 -15.890 3.781 1.00 0.17 C ATOM 252 CG ASP A 16 -3.635 -17.216 3.800 1.00 0.19 C ATOM 253 OD1 ASP A 16 -4.848 -17.180 3.688 1.00 1.07 O ATOM 254 OD2 ASP A 16 -2.991 -18.244 3.930 1.00 1.07 O ATOM 0 H ASP A 16 -1.971 -13.640 3.220 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.234 -15.159 2.270 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -1.959 -15.993 3.195 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.572 -15.617 4.793 1.00 0.17 H new ATOM 259 N ALA A 17 -4.552 -13.525 5.095 1.00 0.15 N ATOM 260 CA ALA A 17 -5.563 -13.123 6.122 1.00 0.16 C ATOM 261 C ALA A 17 -6.693 -12.303 5.483 1.00 0.15 C ATOM 262 O ALA A 17 -7.844 -12.424 5.855 1.00 0.17 O ATOM 263 CB ALA A 17 -4.879 -12.287 7.205 1.00 0.18 C ATOM 0 H ALA A 17 -3.648 -13.058 5.173 1.00 0.15 H new ATOM 0 HA ALA A 17 -5.992 -14.024 6.560 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.613 -11.992 7.955 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.094 -12.877 7.678 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.442 -11.395 6.755 1.00 0.18 H new ATOM 269 N ALA A 18 -6.376 -11.465 4.536 1.00 0.14 N ATOM 270 CA ALA A 18 -7.432 -10.633 3.886 1.00 0.15 C ATOM 271 C ALA A 18 -8.446 -11.539 3.186 1.00 0.14 C ATOM 272 O ALA A 18 -9.616 -11.226 3.096 1.00 0.17 O ATOM 273 CB ALA A 18 -6.787 -9.710 2.855 1.00 0.15 C ATOM 0 H ALA A 18 -5.431 -11.319 4.182 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.940 -10.039 4.646 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.556 -9.102 2.379 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.065 -9.060 3.350 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.278 -10.308 2.099 1.00 0.15 H new ATOM 279 N GLY A 19 -8.006 -12.659 2.689 1.00 0.16 N ATOM 280 CA GLY A 19 -8.939 -13.587 1.992 1.00 0.20 C ATOM 281 C GLY A 19 -9.427 -12.962 0.680 1.00 0.16 C ATOM 282 O GLY A 19 -8.645 -12.606 -0.179 1.00 0.17 O ATOM 0 H GLY A 19 -7.037 -12.974 2.735 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.437 -14.533 1.788 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.790 -13.810 2.636 1.00 0.20 H new ATOM 286 N ASP A 20 -10.720 -12.851 0.507 1.00 0.15 N ATOM 287 CA ASP A 20 -11.269 -12.282 -0.763 1.00 0.14 C ATOM 288 C ASP A 20 -11.447 -10.762 -0.640 1.00 0.12 C ATOM 289 O ASP A 20 -11.931 -10.117 -1.549 1.00 0.13 O ATOM 290 CB ASP A 20 -12.632 -12.916 -1.038 1.00 0.15 C ATOM 291 CG ASP A 20 -12.480 -14.433 -1.173 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.420 -14.871 -1.586 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.428 -15.132 -0.857 1.00 1.07 O ATOM 0 H ASP A 20 -11.422 -13.131 1.192 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.574 -12.493 -1.576 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.323 -12.681 -0.228 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -13.059 -12.501 -1.951 1.00 0.15 H new ATOM 298 N LYS A 21 -11.085 -10.187 0.474 1.00 0.12 N ATOM 299 CA LYS A 21 -11.265 -8.715 0.647 1.00 0.12 C ATOM 300 C LYS A 21 -10.196 -7.954 -0.142 1.00 0.10 C ATOM 301 O LYS A 21 -9.097 -8.436 -0.342 1.00 0.11 O ATOM 302 CB LYS A 21 -11.145 -8.364 2.135 1.00 0.15 C ATOM 303 CG LYS A 21 -12.322 -8.980 2.905 1.00 0.21 C ATOM 304 CD LYS A 21 -12.442 -8.345 4.297 1.00 0.31 C ATOM 305 CE LYS A 21 -11.344 -8.888 5.218 1.00 0.80 C ATOM 306 NZ LYS A 21 -11.525 -8.334 6.591 1.00 1.50 N ATOM 0 H LYS A 21 -10.673 -10.671 1.272 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.249 -8.430 0.275 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.201 -8.738 2.532 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.139 -7.282 2.265 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.247 -8.830 2.349 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.179 -10.056 3.000 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -12.360 -7.261 4.219 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -13.423 -8.561 4.721 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -11.384 -9.977 5.246 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -10.362 -8.615 4.831 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -10.678 -8.534 7.160 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -11.670 -7.306 6.534 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -12.354 -8.776 7.037 1.00 1.50 H new ATOM 320 N LEU A 22 -10.511 -6.769 -0.599 1.00 0.11 N ATOM 321 CA LEU A 22 -9.523 -5.982 -1.378 1.00 0.12 C ATOM 322 C LEU A 22 -8.310 -5.730 -0.470 1.00 0.12 C ATOM 323 O LEU A 22 -8.424 -5.723 0.740 1.00 0.14 O ATOM 324 CB LEU A 22 -10.187 -4.654 -1.810 1.00 0.15 C ATOM 325 CG LEU A 22 -9.811 -4.261 -3.253 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.412 -2.869 -3.591 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.281 -4.217 -3.415 1.00 0.47 C ATOM 0 H LEU A 22 -11.415 -6.316 -0.463 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.196 -6.509 -2.274 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.270 -4.748 -1.731 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.885 -3.859 -1.128 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.216 -5.008 -3.936 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -10.144 -2.595 -4.611 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.497 -2.909 -3.499 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -10.017 -2.125 -2.900 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -8.031 -3.938 -4.439 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.863 -3.482 -2.727 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.863 -5.199 -3.194 1.00 0.47 H new ATOM 339 N VAL A 23 -7.155 -5.531 -1.037 1.00 0.11 N ATOM 340 CA VAL A 23 -5.942 -5.289 -0.211 1.00 0.11 C ATOM 341 C VAL A 23 -5.053 -4.290 -0.934 1.00 0.11 C ATOM 342 O VAL A 23 -4.548 -4.562 -2.006 1.00 0.17 O ATOM 343 CB VAL A 23 -5.164 -6.598 -0.039 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.856 -6.321 0.714 1.00 0.16 C ATOM 345 CG2 VAL A 23 -6.001 -7.605 0.750 1.00 0.12 C ATOM 0 H VAL A 23 -6.998 -5.526 -2.045 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.237 -4.906 0.766 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.941 -7.011 -1.023 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.302 -7.252 0.836 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.253 -5.612 0.147 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.082 -5.902 1.694 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.440 -8.532 0.867 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.233 -7.195 1.733 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.928 -7.807 0.213 1.00 0.12 H new ATOM 355 N VAL A 24 -4.851 -3.142 -0.354 1.00 0.09 N ATOM 356 CA VAL A 24 -3.981 -2.112 -0.995 1.00 0.09 C ATOM 357 C VAL A 24 -2.648 -2.085 -0.242 1.00 0.09 C ATOM 358 O VAL A 24 -2.617 -2.249 0.961 1.00 0.10 O ATOM 359 CB VAL A 24 -4.669 -0.739 -0.910 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.830 0.305 -1.650 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.049 -0.820 -1.565 1.00 0.14 C ATOM 0 H VAL A 24 -5.253 -2.868 0.543 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.809 -2.349 -2.045 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.770 -0.454 0.137 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.320 1.276 -1.588 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.842 0.367 -1.194 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.729 0.016 -2.696 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.538 0.152 -1.505 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -5.939 -1.107 -2.611 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.655 -1.563 -1.046 1.00 0.14 H new ATOM 371 N VAL A 25 -1.542 -1.900 -0.934 1.00 0.09 N ATOM 372 CA VAL A 25 -0.207 -1.883 -0.241 1.00 0.09 C ATOM 373 C VAL A 25 0.526 -0.589 -0.579 1.00 0.10 C ATOM 374 O VAL A 25 0.767 -0.286 -1.729 1.00 0.11 O ATOM 375 CB VAL A 25 0.635 -3.070 -0.720 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.912 -3.172 0.120 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.169 -4.359 -0.573 1.00 0.10 C ATOM 0 H VAL A 25 -1.506 -1.761 -1.944 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.361 -1.951 0.836 1.00 0.09 H new ATOM 0 HB VAL A 25 0.900 -2.921 -1.767 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.507 -4.018 -0.224 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.491 -2.254 0.015 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.648 -3.317 1.168 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.431 -5.203 -0.914 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.437 -4.504 0.474 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.076 -4.292 -1.174 1.00 0.10 H new ATOM 387 N ASP A 26 0.901 0.172 0.419 1.00 0.11 N ATOM 388 CA ASP A 26 1.640 1.452 0.170 1.00 0.12 C ATOM 389 C ASP A 26 3.146 1.258 0.412 1.00 0.14 C ATOM 390 O ASP A 26 3.570 0.919 1.497 1.00 0.20 O ATOM 391 CB ASP A 26 1.111 2.544 1.103 1.00 0.14 C ATOM 392 CG ASP A 26 1.879 3.837 0.830 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.865 4.280 -0.304 1.00 1.04 O ATOM 394 OD2 ASP A 26 2.487 4.350 1.755 1.00 1.05 O ATOM 0 H ASP A 26 0.727 -0.038 1.402 1.00 0.11 H new ATOM 0 HA ASP A 26 1.484 1.748 -0.867 1.00 0.12 H new ATOM 0 HB2 ASP A 26 0.044 2.697 0.939 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.234 2.244 2.144 1.00 0.14 H new ATOM 399 N PHE A 27 3.953 1.482 -0.595 1.00 0.13 N ATOM 400 CA PHE A 27 5.440 1.333 -0.448 1.00 0.13 C ATOM 401 C PHE A 27 6.085 2.689 -0.188 1.00 0.22 C ATOM 402 O PHE A 27 7.238 2.903 -0.507 1.00 0.73 O ATOM 403 CB PHE A 27 6.032 0.739 -1.726 1.00 0.11 C ATOM 404 CG PHE A 27 5.683 -0.722 -1.819 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.451 -1.660 -1.119 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.611 -1.143 -2.608 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.143 -3.022 -1.209 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.303 -2.505 -2.697 1.00 0.14 C ATOM 409 CZ PHE A 27 5.068 -3.444 -1.999 1.00 0.14 C ATOM 0 H PHE A 27 3.644 1.765 -1.525 1.00 0.13 H new ATOM 0 HA PHE A 27 5.638 0.670 0.394 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.648 1.270 -2.597 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.115 0.864 -1.729 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.281 -1.333 -0.510 1.00 0.11 H new ATOM 0 HD2 PHE A 27 4.020 -0.418 -3.149 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.734 -3.747 -0.669 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.473 -2.831 -3.306 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.829 -4.495 -2.069 1.00 0.14 H new ATOM 419 N SER A 28 5.362 3.616 0.360 1.00 0.30 N ATOM 420 CA SER A 28 5.960 4.956 0.596 1.00 0.24 C ATOM 421 C SER A 28 7.175 4.833 1.507 1.00 0.24 C ATOM 422 O SER A 28 7.223 4.003 2.393 1.00 0.28 O ATOM 423 CB SER A 28 4.928 5.860 1.267 1.00 0.27 C ATOM 424 OG SER A 28 3.794 5.984 0.420 1.00 0.29 O ATOM 0 H SER A 28 4.391 3.509 0.654 1.00 0.30 H new ATOM 0 HA SER A 28 6.265 5.381 -0.360 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.633 5.443 2.230 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.360 6.842 1.463 1.00 0.27 H new ATOM 0 HG SER A 28 2.976 5.888 0.952 1.00 0.29 H new ATOM 430 N ALA A 29 8.157 5.668 1.302 1.00 0.20 N ATOM 431 CA ALA A 29 9.368 5.617 2.161 1.00 0.21 C ATOM 432 C ALA A 29 9.070 6.407 3.429 1.00 0.22 C ATOM 433 O ALA A 29 8.659 7.549 3.376 1.00 0.22 O ATOM 434 CB ALA A 29 10.559 6.247 1.416 1.00 0.19 C ATOM 0 H ALA A 29 8.170 6.383 0.575 1.00 0.20 H new ATOM 0 HA ALA A 29 9.622 4.586 2.407 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.446 6.208 2.049 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.746 5.694 0.495 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.330 7.285 1.176 1.00 0.19 H new ATOM 440 N THR A 30 9.267 5.818 4.568 1.00 0.23 N ATOM 441 CA THR A 30 8.984 6.556 5.820 1.00 0.24 C ATOM 442 C THR A 30 10.005 7.684 5.955 1.00 0.22 C ATOM 443 O THR A 30 9.699 8.758 6.433 1.00 0.22 O ATOM 444 CB THR A 30 9.091 5.607 7.017 1.00 0.28 C ATOM 445 OG1 THR A 30 8.834 6.329 8.211 1.00 0.30 O ATOM 446 CG2 THR A 30 10.496 5.004 7.073 1.00 0.29 C ATOM 0 H THR A 30 9.609 4.864 4.686 1.00 0.23 H new ATOM 0 HA THR A 30 7.975 6.968 5.793 1.00 0.24 H new ATOM 0 HB THR A 30 8.361 4.804 6.912 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.900 5.724 8.979 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.569 4.329 7.926 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.691 4.450 6.155 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.231 5.802 7.178 1.00 0.29 H new ATOM 454 N TRP A 31 11.214 7.452 5.520 1.00 0.22 N ATOM 455 CA TRP A 31 12.255 8.515 5.614 1.00 0.21 C ATOM 456 C TRP A 31 11.950 9.652 4.639 1.00 0.19 C ATOM 457 O TRP A 31 12.404 10.766 4.816 1.00 0.22 O ATOM 458 CB TRP A 31 13.615 7.924 5.282 1.00 0.23 C ATOM 459 CG TRP A 31 13.630 7.452 3.864 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.464 6.170 3.491 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.800 8.218 2.635 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.568 6.084 2.115 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.763 7.323 1.541 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.990 9.585 2.364 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.912 7.764 0.226 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.136 10.035 1.041 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.098 9.126 -0.025 1.00 0.21 C ATOM 0 H TRP A 31 11.525 6.574 5.104 1.00 0.22 H new ATOM 0 HA TRP A 31 12.258 8.911 6.630 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.393 8.672 5.434 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.835 7.094 5.953 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.279 5.342 4.159 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.508 5.212 1.589 1.00 0.25 H new ATOM 0 HE3 TRP A 31 14.024 10.294 3.178 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.884 7.059 -0.591 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.278 11.087 0.844 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.212 9.478 -1.040 1.00 0.21 H new ATOM 478 N CYS A 32 11.187 9.390 3.611 1.00 0.18 N ATOM 479 CA CYS A 32 10.857 10.468 2.638 1.00 0.17 C ATOM 480 C CYS A 32 9.649 11.229 3.186 1.00 0.17 C ATOM 481 O CYS A 32 8.538 10.736 3.199 1.00 0.20 O ATOM 482 CB CYS A 32 10.542 9.840 1.266 1.00 0.18 C ATOM 483 SG CYS A 32 10.589 11.111 -0.034 1.00 0.26 S ATOM 0 H CYS A 32 10.780 8.478 3.405 1.00 0.18 H new ATOM 0 HA CYS A 32 11.694 11.154 2.506 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.264 9.055 1.043 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.559 9.371 1.290 1.00 0.18 H new ATOM 488 N GLY A 33 9.876 12.420 3.674 1.00 0.20 N ATOM 489 CA GLY A 33 8.765 13.217 4.259 1.00 0.23 C ATOM 490 C GLY A 33 7.658 13.455 3.231 1.00 0.21 C ATOM 491 O GLY A 33 6.494 13.276 3.532 1.00 0.22 O ATOM 0 H GLY A 33 10.789 12.875 3.691 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.356 12.696 5.125 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.147 14.174 4.614 1.00 0.23 H new ATOM 495 N PRO A 34 7.986 13.856 2.027 1.00 0.21 N ATOM 496 CA PRO A 34 6.932 14.088 1.007 1.00 0.22 C ATOM 497 C PRO A 34 6.009 12.875 0.862 1.00 0.22 C ATOM 498 O PRO A 34 4.823 13.009 0.657 1.00 0.24 O ATOM 499 CB PRO A 34 7.764 14.325 -0.262 1.00 0.29 C ATOM 500 CG PRO A 34 9.178 14.714 0.191 1.00 0.31 C ATOM 501 CD PRO A 34 9.390 14.119 1.592 1.00 0.24 C ATOM 0 HA PRO A 34 6.260 14.911 1.250 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.791 13.426 -0.878 1.00 0.29 H new ATOM 0 HB3 PRO A 34 7.323 15.115 -0.870 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.924 14.331 -0.506 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.290 15.798 0.213 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.987 13.207 1.563 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.901 14.814 2.258 1.00 0.24 H new ATOM 509 N ALA A 35 6.552 11.693 0.978 1.00 0.21 N ATOM 510 CA ALA A 35 5.715 10.467 0.849 1.00 0.23 C ATOM 511 C ALA A 35 4.934 10.227 2.148 1.00 0.23 C ATOM 512 O ALA A 35 3.739 10.015 2.132 1.00 0.22 O ATOM 513 CB ALA A 35 6.626 9.268 0.551 1.00 0.24 C ATOM 0 H ALA A 35 7.542 11.524 1.157 1.00 0.21 H new ATOM 0 HA ALA A 35 5.002 10.593 0.034 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.021 8.366 0.455 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.166 9.444 -0.380 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.339 9.142 1.366 1.00 0.24 H new ATOM 519 N LYS A 36 5.600 10.263 3.270 1.00 0.25 N ATOM 520 CA LYS A 36 4.892 10.039 4.565 1.00 0.27 C ATOM 521 C LYS A 36 3.809 11.102 4.738 1.00 0.26 C ATOM 522 O LYS A 36 2.783 10.868 5.342 1.00 0.27 O ATOM 523 CB LYS A 36 5.887 10.131 5.727 1.00 0.33 C ATOM 524 CG LYS A 36 5.203 9.672 7.020 1.00 0.37 C ATOM 525 CD LYS A 36 6.115 9.954 8.215 1.00 0.44 C ATOM 526 CE LYS A 36 5.478 9.391 9.489 1.00 0.89 C ATOM 527 NZ LYS A 36 6.375 9.653 10.651 1.00 1.59 N ATOM 0 H LYS A 36 6.602 10.437 3.347 1.00 0.25 H new ATOM 0 HA LYS A 36 4.439 9.048 4.561 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.759 9.510 5.524 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.243 11.155 5.835 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.253 10.192 7.145 1.00 0.37 H new ATOM 0 HG3 LYS A 36 4.978 8.607 6.965 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.093 9.501 8.054 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.274 11.027 8.319 1.00 0.44 H new ATOM 0 HE2 LYS A 36 4.505 9.852 9.656 1.00 0.89 H new ATOM 0 HE3 LYS A 36 5.309 8.320 9.381 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 5.943 9.271 11.516 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 7.294 9.193 10.491 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 6.515 10.678 10.757 1.00 1.59 H new ATOM 541 N MET A 37 4.034 12.271 4.220 1.00 0.28 N ATOM 542 CA MET A 37 3.022 13.353 4.365 1.00 0.30 C ATOM 543 C MET A 37 1.703 12.911 3.726 1.00 0.25 C ATOM 544 O MET A 37 0.640 13.325 4.130 1.00 0.25 O ATOM 545 CB MET A 37 3.534 14.623 3.669 1.00 0.38 C ATOM 546 CG MET A 37 2.623 15.814 4.006 1.00 0.44 C ATOM 547 SD MET A 37 1.102 15.723 3.028 1.00 1.54 S ATOM 548 CE MET A 37 1.726 16.551 1.544 1.00 2.10 C ATOM 0 H MET A 37 4.874 12.527 3.702 1.00 0.28 H new ATOM 0 HA MET A 37 2.856 13.559 5.422 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.555 14.835 3.987 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.561 14.470 2.590 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.383 15.810 5.069 1.00 0.44 H new ATOM 0 HG3 MET A 37 3.142 16.750 3.800 1.00 0.44 H new ATOM 0 HE1 MET A 37 1.182 16.191 0.671 1.00 2.10 H new ATOM 0 HE2 MET A 37 1.585 17.627 1.641 1.00 2.10 H new ATOM 0 HE3 MET A 37 2.787 16.333 1.425 1.00 2.10 H new ATOM 558 N ILE A 38 1.775 12.085 2.722 1.00 0.23 N ATOM 559 CA ILE A 38 0.545 11.607 2.017 1.00 0.25 C ATOM 560 C ILE A 38 -0.120 10.451 2.776 1.00 0.26 C ATOM 561 O ILE A 38 -1.184 9.998 2.405 1.00 0.31 O ATOM 562 CB ILE A 38 0.911 11.125 0.607 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.845 12.135 -0.064 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.354 10.980 -0.243 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.494 11.493 -1.276 1.00 0.49 C ATOM 0 H ILE A 38 2.648 11.712 2.350 1.00 0.23 H new ATOM 0 HA ILE A 38 -0.155 12.441 1.965 1.00 0.25 H new ATOM 0 HB ILE A 38 1.410 10.159 0.689 1.00 0.33 H new ATOM 0 HG12 ILE A 38 1.285 13.021 -0.364 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.609 12.464 0.640 1.00 0.34 H new ATOM 0 HG21 ILE A 38 -0.084 10.637 -1.242 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -1.023 10.255 0.221 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.857 11.944 -0.314 1.00 0.35 H new ATOM 0 HD11 ILE A 38 3.160 12.211 -1.755 1.00 0.49 H new ATOM 0 HD12 ILE A 38 3.067 10.620 -0.962 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.722 11.186 -1.982 1.00 0.49 H new ATOM 577 N LYS A 39 0.500 9.923 3.795 1.00 0.27 N ATOM 578 CA LYS A 39 -0.130 8.758 4.486 1.00 0.34 C ATOM 579 C LYS A 39 -1.510 9.080 5.113 1.00 0.30 C ATOM 580 O LYS A 39 -2.290 8.174 5.278 1.00 0.33 O ATOM 581 CB LYS A 39 0.792 8.110 5.557 1.00 0.46 C ATOM 582 CG LYS A 39 0.789 8.889 6.897 1.00 0.50 C ATOM 583 CD LYS A 39 1.689 8.213 7.964 1.00 0.65 C ATOM 584 CE LYS A 39 1.575 6.681 7.939 1.00 0.80 C ATOM 585 NZ LYS A 39 2.206 6.117 9.167 1.00 0.75 N ATOM 0 H LYS A 39 1.394 10.236 4.174 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.287 8.034 3.686 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.469 7.085 5.737 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.811 8.061 5.172 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.134 9.908 6.725 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.231 8.958 7.274 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.727 8.500 7.795 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.414 8.579 8.953 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.528 6.384 7.886 1.00 0.80 H new ATOM 0 HE3 LYS A 39 2.064 6.283 7.050 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 2.360 5.096 9.041 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 3.119 6.586 9.335 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.580 6.274 9.983 1.00 0.75 H new ATOM 599 N PRO A 40 -1.841 10.297 5.535 1.00 0.26 N ATOM 600 CA PRO A 40 -3.165 10.505 6.192 1.00 0.25 C ATOM 601 C PRO A 40 -4.326 10.086 5.294 1.00 0.20 C ATOM 602 O PRO A 40 -5.296 9.534 5.753 1.00 0.21 O ATOM 603 CB PRO A 40 -3.160 12.018 6.445 1.00 0.26 C ATOM 604 CG PRO A 40 -1.701 12.459 6.395 1.00 0.28 C ATOM 605 CD PRO A 40 -1.016 11.531 5.392 1.00 0.27 C ATOM 0 HA PRO A 40 -3.300 9.907 7.093 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.749 12.540 5.691 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.603 12.251 7.413 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.618 13.500 6.083 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.236 12.383 7.378 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -1.042 11.929 4.378 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.031 11.358 5.639 1.00 0.27 H new ATOM 613 N PHE A 41 -4.236 10.331 4.017 1.00 0.16 N ATOM 614 CA PHE A 41 -5.354 9.913 3.132 1.00 0.13 C ATOM 615 C PHE A 41 -5.374 8.388 3.081 1.00 0.13 C ATOM 616 O PHE A 41 -6.387 7.748 3.269 1.00 0.15 O ATOM 617 CB PHE A 41 -5.103 10.436 1.721 1.00 0.14 C ATOM 618 CG PHE A 41 -5.259 11.931 1.685 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.258 12.746 2.221 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.398 12.504 1.108 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.393 14.138 2.181 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.535 13.896 1.067 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.532 14.713 1.604 1.00 0.37 C ATOM 0 H PHE A 41 -3.452 10.793 3.556 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.298 10.305 3.511 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -4.100 10.160 1.396 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.802 9.973 1.024 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.380 12.301 2.666 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.171 11.872 0.695 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.620 14.768 2.595 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.413 14.340 0.622 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.637 15.787 1.573 1.00 0.37 H new ATOM 633 N PHE A 42 -4.228 7.807 2.865 1.00 0.12 N ATOM 634 CA PHE A 42 -4.126 6.325 2.823 1.00 0.13 C ATOM 635 C PHE A 42 -4.569 5.739 4.168 1.00 0.14 C ATOM 636 O PHE A 42 -5.415 4.871 4.232 1.00 0.16 O ATOM 637 CB PHE A 42 -2.667 5.955 2.514 1.00 0.13 C ATOM 638 CG PHE A 42 -2.503 4.454 2.489 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.868 3.721 1.351 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.998 3.791 3.615 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.729 2.325 1.346 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.858 2.398 3.607 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.224 1.665 2.472 1.00 0.13 C ATOM 0 H PHE A 42 -3.349 8.302 2.714 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.775 5.915 2.050 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.373 6.376 1.552 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -2.007 6.388 3.266 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.255 4.230 0.481 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.716 4.356 4.491 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -3.012 1.758 0.471 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.468 1.889 4.476 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.117 0.590 2.465 1.00 0.13 H new ATOM 653 N HIS A 43 -4.004 6.220 5.241 1.00 0.16 N ATOM 654 CA HIS A 43 -4.366 5.708 6.594 1.00 0.18 C ATOM 655 C HIS A 43 -5.806 6.103 6.961 1.00 0.16 C ATOM 656 O HIS A 43 -6.541 5.323 7.530 1.00 0.16 O ATOM 657 CB HIS A 43 -3.376 6.299 7.612 1.00 0.23 C ATOM 658 CG HIS A 43 -3.703 5.810 8.991 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.062 4.725 9.569 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.628 6.230 9.906 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.615 4.528 10.782 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.576 5.420 11.036 1.00 0.31 N ATOM 0 H HIS A 43 -3.298 6.956 5.238 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.311 4.619 6.601 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.358 6.014 7.348 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.420 7.388 7.584 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.299 7.066 9.772 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.318 3.745 11.464 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.148 5.492 11.877 1.00 0.31 H new ATOM 670 N SER A 44 -6.217 7.303 6.640 1.00 0.15 N ATOM 671 CA SER A 44 -7.610 7.739 6.979 1.00 0.15 C ATOM 672 C SER A 44 -8.644 6.868 6.248 1.00 0.13 C ATOM 673 O SER A 44 -9.687 6.546 6.779 1.00 0.15 O ATOM 674 CB SER A 44 -7.821 9.200 6.578 1.00 0.18 C ATOM 675 OG SER A 44 -6.956 10.028 7.344 1.00 0.22 O ATOM 0 H SER A 44 -5.650 8.001 6.158 1.00 0.15 H new ATOM 0 HA SER A 44 -7.743 7.630 8.055 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.620 9.330 5.515 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.859 9.488 6.743 1.00 0.18 H new ATOM 0 HG SER A 44 -6.027 9.870 7.074 1.00 0.22 H new ATOM 681 N LEU A 45 -8.375 6.518 5.016 1.00 0.12 N ATOM 682 CA LEU A 45 -9.352 5.701 4.231 1.00 0.14 C ATOM 683 C LEU A 45 -9.558 4.332 4.869 1.00 0.13 C ATOM 684 O LEU A 45 -10.569 3.691 4.661 1.00 0.15 O ATOM 685 CB LEU A 45 -8.847 5.523 2.799 1.00 0.16 C ATOM 686 CG LEU A 45 -8.946 6.855 2.029 1.00 0.18 C ATOM 687 CD1 LEU A 45 -8.012 6.814 0.816 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.384 7.082 1.538 1.00 0.22 C ATOM 0 H LEU A 45 -7.519 6.763 4.518 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.306 6.228 4.224 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.813 5.178 2.811 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.433 4.757 2.292 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.660 7.667 2.698 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -8.082 7.756 0.271 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.986 6.664 1.152 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.303 5.993 0.160 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.439 8.026 0.996 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.676 6.266 0.876 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -11.059 7.115 2.393 1.00 0.22 H new ATOM 700 N SER A 46 -8.616 3.858 5.629 1.00 0.12 N ATOM 701 CA SER A 46 -8.787 2.517 6.247 1.00 0.12 C ATOM 702 C SER A 46 -10.113 2.490 6.996 1.00 0.14 C ATOM 703 O SER A 46 -10.812 1.496 7.012 1.00 0.16 O ATOM 704 CB SER A 46 -7.646 2.254 7.229 1.00 0.13 C ATOM 705 OG SER A 46 -6.409 2.301 6.532 1.00 0.14 O ATOM 0 H SER A 46 -7.742 4.335 5.848 1.00 0.12 H new ATOM 0 HA SER A 46 -8.777 1.750 5.473 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.657 2.998 8.025 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.774 1.280 7.701 1.00 0.13 H new ATOM 0 HG SER A 46 -6.035 3.205 6.591 1.00 0.14 H new ATOM 711 N GLU A 47 -10.474 3.580 7.610 1.00 0.15 N ATOM 712 CA GLU A 47 -11.761 3.622 8.346 1.00 0.18 C ATOM 713 C GLU A 47 -12.878 4.022 7.382 1.00 0.18 C ATOM 714 O GLU A 47 -14.043 3.859 7.682 1.00 0.21 O ATOM 715 CB GLU A 47 -11.666 4.664 9.466 1.00 0.22 C ATOM 716 CG GLU A 47 -10.718 4.175 10.566 1.00 0.23 C ATOM 717 CD GLU A 47 -9.263 4.290 10.106 1.00 1.34 C ATOM 718 OE1 GLU A 47 -9.011 5.010 9.155 1.00 2.05 O ATOM 719 OE2 GLU A 47 -8.422 3.649 10.717 1.00 2.16 O ATOM 0 H GLU A 47 -9.931 4.443 7.633 1.00 0.15 H new ATOM 0 HA GLU A 47 -11.975 2.641 8.771 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.308 5.611 9.062 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.655 4.850 9.885 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -10.867 4.763 11.472 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -10.946 3.139 10.817 1.00 0.23 H new ATOM 726 N LYS A 48 -12.543 4.524 6.213 1.00 0.17 N ATOM 727 CA LYS A 48 -13.618 4.897 5.250 1.00 0.19 C ATOM 728 C LYS A 48 -14.089 3.613 4.584 1.00 0.18 C ATOM 729 O LYS A 48 -15.263 3.411 4.351 1.00 0.21 O ATOM 730 CB LYS A 48 -13.094 5.866 4.190 1.00 0.20 C ATOM 731 CG LYS A 48 -14.269 6.339 3.327 1.00 0.30 C ATOM 732 CD LYS A 48 -13.758 7.151 2.140 1.00 0.82 C ATOM 733 CE LYS A 48 -14.946 7.539 1.254 1.00 1.03 C ATOM 734 NZ LYS A 48 -15.858 8.436 2.019 1.00 1.78 N ATOM 0 H LYS A 48 -11.588 4.687 5.894 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.434 5.395 5.775 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.608 6.718 4.665 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.343 5.376 3.570 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.837 5.480 2.971 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.949 6.945 3.926 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -13.241 8.045 2.490 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -13.036 6.568 1.568 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -14.594 8.042 0.353 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -15.481 6.646 0.932 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -16.472 8.953 1.357 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -16.444 7.868 2.663 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -15.295 9.114 2.571 1.00 1.78 H new ATOM 748 N TYR A 49 -13.163 2.728 4.310 1.00 0.16 N ATOM 749 CA TYR A 49 -13.515 1.411 3.696 1.00 0.17 C ATOM 750 C TYR A 49 -13.013 0.332 4.647 1.00 0.16 C ATOM 751 O TYR A 49 -12.090 -0.401 4.353 1.00 0.16 O ATOM 752 CB TYR A 49 -12.829 1.263 2.331 1.00 0.17 C ATOM 753 CG TYR A 49 -13.360 2.319 1.386 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.676 2.230 0.914 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.544 3.386 0.985 1.00 0.19 C ATOM 756 CE1 TYR A 49 -15.175 3.206 0.044 1.00 0.25 C ATOM 757 CE2 TYR A 49 -13.046 4.361 0.113 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.362 4.270 -0.356 1.00 0.21 C ATOM 759 OH TYR A 49 -14.855 5.232 -1.211 1.00 0.25 O ATOM 0 H TYR A 49 -12.168 2.864 4.488 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.591 1.330 3.541 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.750 1.367 2.441 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -13.014 0.269 1.924 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.306 1.408 1.222 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.529 3.456 1.348 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -16.190 3.137 -0.319 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.418 5.183 -0.197 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.226 5.982 -1.257 1.00 0.25 H new ATOM 769 N SER A 50 -13.626 0.239 5.796 1.00 0.17 N ATOM 770 CA SER A 50 -13.202 -0.769 6.795 1.00 0.18 C ATOM 771 C SER A 50 -13.432 -2.161 6.215 1.00 0.19 C ATOM 772 O SER A 50 -12.995 -3.153 6.761 1.00 0.21 O ATOM 773 CB SER A 50 -14.008 -0.573 8.077 1.00 0.20 C ATOM 774 OG SER A 50 -15.358 -0.960 7.850 1.00 0.22 O ATOM 0 H SER A 50 -14.409 0.826 6.083 1.00 0.17 H new ATOM 0 HA SER A 50 -12.144 -0.655 7.031 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.579 -1.167 8.884 1.00 0.20 H new ATOM 0 HB3 SER A 50 -13.965 0.470 8.391 1.00 0.20 H new ATOM 0 HG SER A 50 -15.876 -0.836 8.672 1.00 0.22 H new ATOM 780 N ASN A 51 -14.098 -2.236 5.091 1.00 0.20 N ATOM 781 CA ASN A 51 -14.340 -3.557 4.451 1.00 0.23 C ATOM 782 C ASN A 51 -13.163 -3.851 3.523 1.00 0.19 C ATOM 783 O ASN A 51 -13.157 -4.821 2.792 1.00 0.22 O ATOM 784 CB ASN A 51 -15.636 -3.508 3.637 1.00 0.32 C ATOM 785 CG ASN A 51 -16.023 -4.924 3.202 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.391 -5.745 4.018 1.00 1.13 O ATOM 787 ND2 ASN A 51 -15.957 -5.245 1.939 1.00 0.27 N ATOM 0 H ASN A 51 -14.484 -1.436 4.590 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.433 -4.335 5.209 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.436 -3.069 4.233 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.504 -2.871 2.762 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.214 -6.185 1.638 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.648 -4.556 1.253 1.00 0.27 H new ATOM 794 N VAL A 52 -12.150 -3.016 3.574 1.00 0.21 N ATOM 795 CA VAL A 52 -10.933 -3.217 2.733 1.00 0.17 C ATOM 796 C VAL A 52 -9.715 -3.179 3.657 1.00 0.13 C ATOM 797 O VAL A 52 -9.699 -2.457 4.635 1.00 0.14 O ATOM 798 CB VAL A 52 -10.839 -2.108 1.676 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.452 -2.132 1.018 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.916 -2.336 0.607 1.00 0.24 C ATOM 0 H VAL A 52 -12.119 -2.192 4.174 1.00 0.21 H new ATOM 0 HA VAL A 52 -10.979 -4.174 2.213 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.992 -1.140 2.153 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.391 -1.343 0.269 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.686 -1.972 1.777 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.293 -3.099 0.540 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.853 -1.551 -0.146 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.760 -3.306 0.134 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.901 -2.314 1.073 1.00 0.24 H new ATOM 810 N ILE A 53 -8.702 -3.962 3.379 1.00 0.11 N ATOM 811 CA ILE A 53 -7.499 -3.972 4.279 1.00 0.09 C ATOM 812 C ILE A 53 -6.388 -3.106 3.658 1.00 0.09 C ATOM 813 O ILE A 53 -5.931 -3.369 2.563 1.00 0.12 O ATOM 814 CB ILE A 53 -6.984 -5.413 4.417 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.148 -6.354 4.784 1.00 0.13 C ATOM 816 CG2 ILE A 53 -5.901 -5.484 5.515 1.00 0.13 C ATOM 817 CD1 ILE A 53 -8.883 -5.855 6.034 1.00 0.15 C ATOM 0 H ILE A 53 -8.652 -4.590 2.577 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.774 -3.577 5.257 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.553 -5.724 3.465 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.845 -6.419 3.949 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.766 -7.360 4.959 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.542 -6.509 5.606 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.070 -4.830 5.249 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.326 -5.163 6.466 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.700 -6.536 6.272 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.188 -5.815 6.873 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.284 -4.859 5.847 1.00 0.15 H new ATOM 829 N PHE A 54 -5.939 -2.084 4.356 1.00 0.08 N ATOM 830 CA PHE A 54 -4.843 -1.210 3.811 1.00 0.09 C ATOM 831 C PHE A 54 -3.517 -1.586 4.483 1.00 0.09 C ATOM 832 O PHE A 54 -3.410 -1.583 5.692 1.00 0.12 O ATOM 833 CB PHE A 54 -5.142 0.263 4.130 1.00 0.10 C ATOM 834 CG PHE A 54 -6.352 0.735 3.359 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.625 0.296 3.730 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.207 1.626 2.283 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.752 0.741 3.032 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.336 2.068 1.582 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.608 1.625 1.958 1.00 0.10 C ATOM 0 H PHE A 54 -6.284 -1.818 5.278 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.780 -1.352 2.732 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.316 0.382 5.200 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.279 0.879 3.877 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.739 -0.388 4.558 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.224 1.970 1.996 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.735 0.401 3.323 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.224 2.750 0.752 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.479 1.966 1.419 1.00 0.10 H new ATOM 849 N LEU A 55 -2.498 -1.898 3.713 1.00 0.09 N ATOM 850 CA LEU A 55 -1.169 -2.267 4.315 1.00 0.11 C ATOM 851 C LEU A 55 -0.174 -1.145 4.066 1.00 0.10 C ATOM 852 O LEU A 55 -0.123 -0.566 3.000 1.00 0.10 O ATOM 853 CB LEU A 55 -0.594 -3.554 3.679 1.00 0.12 C ATOM 854 CG LEU A 55 -1.365 -4.795 4.149 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.856 -4.646 3.835 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.807 -6.038 3.445 1.00 0.22 C ATOM 0 H LEU A 55 -2.527 -1.914 2.694 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.326 -2.432 5.381 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.645 -3.480 2.593 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.459 -3.655 3.943 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.245 -4.901 5.227 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.390 -5.534 4.174 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.250 -3.768 4.347 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -2.992 -4.530 2.760 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.353 -6.921 3.778 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -0.919 -5.927 2.367 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.249 -6.151 3.690 1.00 0.22 H new ATOM 868 N GLU A 56 0.645 -0.871 5.042 1.00 0.12 N ATOM 869 CA GLU A 56 1.690 0.177 4.894 1.00 0.13 C ATOM 870 C GLU A 56 3.023 -0.557 4.818 1.00 0.13 C ATOM 871 O GLU A 56 3.274 -1.457 5.594 1.00 0.14 O ATOM 872 CB GLU A 56 1.670 1.110 6.110 1.00 0.15 C ATOM 873 CG GLU A 56 2.569 2.319 5.835 1.00 0.17 C ATOM 874 CD GLU A 56 2.691 3.169 7.107 1.00 0.20 C ATOM 875 OE1 GLU A 56 1.791 3.953 7.366 1.00 1.13 O ATOM 876 OE2 GLU A 56 3.686 3.021 7.798 1.00 1.05 O ATOM 0 H GLU A 56 0.633 -1.337 5.949 1.00 0.12 H new ATOM 0 HA GLU A 56 1.522 0.786 4.006 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.651 1.439 6.314 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.017 0.579 6.996 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.555 1.986 5.512 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.153 2.917 5.024 1.00 0.17 H new ATOM 883 N VAL A 57 3.860 -0.226 3.866 1.00 0.12 N ATOM 884 CA VAL A 57 5.163 -0.959 3.721 1.00 0.12 C ATOM 885 C VAL A 57 6.332 0.028 3.602 1.00 0.11 C ATOM 886 O VAL A 57 6.283 0.984 2.856 1.00 0.13 O ATOM 887 CB VAL A 57 5.097 -1.820 2.461 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.367 -2.655 2.349 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.888 -2.750 2.544 1.00 0.14 C ATOM 0 H VAL A 57 3.702 0.516 3.184 1.00 0.12 H new ATOM 0 HA VAL A 57 5.326 -1.580 4.602 1.00 0.12 H new ATOM 0 HB VAL A 57 5.005 -1.176 1.586 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.320 -3.270 1.450 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.233 -1.995 2.293 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.458 -3.299 3.224 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.840 -3.365 1.645 1.00 0.14 H new ATOM 0 HG22 VAL A 57 3.983 -3.393 3.419 1.00 0.14 H new ATOM 0 HG23 VAL A 57 2.977 -2.157 2.627 1.00 0.14 H new ATOM 899 N ASP A 58 7.388 -0.216 4.339 1.00 0.10 N ATOM 900 CA ASP A 58 8.584 0.675 4.296 1.00 0.09 C ATOM 901 C ASP A 58 9.605 0.085 3.324 1.00 0.09 C ATOM 902 O ASP A 58 10.102 -1.003 3.529 1.00 0.09 O ATOM 903 CB ASP A 58 9.199 0.711 5.691 1.00 0.10 C ATOM 904 CG ASP A 58 10.265 1.804 5.756 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.585 2.356 4.716 1.00 1.05 O ATOM 906 OD2 ASP A 58 10.742 2.072 6.845 1.00 1.02 O ATOM 0 H ASP A 58 7.471 -1.007 4.977 1.00 0.10 H new ATOM 0 HA ASP A 58 8.302 1.678 3.975 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.425 0.900 6.435 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.641 -0.256 5.929 1.00 0.10 H new ATOM 911 N VAL A 59 9.951 0.783 2.285 1.00 0.09 N ATOM 912 CA VAL A 59 10.956 0.217 1.346 1.00 0.10 C ATOM 913 C VAL A 59 12.309 0.160 2.050 1.00 0.11 C ATOM 914 O VAL A 59 13.227 -0.504 1.605 1.00 0.12 O ATOM 915 CB VAL A 59 11.076 1.107 0.111 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.749 1.121 -0.646 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.440 2.528 0.537 1.00 0.16 C ATOM 0 H VAL A 59 9.590 1.706 2.045 1.00 0.09 H new ATOM 0 HA VAL A 59 10.644 -0.782 1.040 1.00 0.10 H new ATOM 0 HB VAL A 59 11.856 0.714 -0.541 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.839 1.757 -1.526 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.496 0.107 -0.955 1.00 0.14 H new ATOM 0 HG13 VAL A 59 8.964 1.509 0.003 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.525 3.162 -0.346 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.663 2.922 1.193 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.392 2.516 1.068 1.00 0.16 H new ATOM 927 N ASP A 60 12.451 0.883 3.135 1.00 0.10 N ATOM 928 CA ASP A 60 13.761 0.902 3.857 1.00 0.12 C ATOM 929 C ASP A 60 13.791 -0.121 5.002 1.00 0.13 C ATOM 930 O ASP A 60 14.787 -0.786 5.204 1.00 0.15 O ATOM 931 CB ASP A 60 13.969 2.312 4.404 1.00 0.14 C ATOM 932 CG ASP A 60 14.468 3.223 3.277 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.636 3.715 2.535 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.670 3.406 3.172 1.00 1.07 O ATOM 0 H ASP A 60 11.719 1.459 3.550 1.00 0.10 H new ATOM 0 HA ASP A 60 14.560 0.630 3.167 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.035 2.698 4.812 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.691 2.295 5.220 1.00 0.14 H new ATOM 939 N ASP A 61 12.721 -0.273 5.742 1.00 0.13 N ATOM 940 CA ASP A 61 12.717 -1.279 6.859 1.00 0.15 C ATOM 941 C ASP A 61 12.040 -2.545 6.348 1.00 0.14 C ATOM 942 O ASP A 61 12.144 -3.608 6.929 1.00 0.19 O ATOM 943 CB ASP A 61 11.941 -0.733 8.063 1.00 0.16 C ATOM 944 CG ASP A 61 12.615 0.547 8.566 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.647 0.904 8.022 1.00 1.01 O ATOM 946 OD2 ASP A 61 12.084 1.147 9.488 1.00 1.07 O ATOM 0 H ASP A 61 11.853 0.250 5.626 1.00 0.13 H new ATOM 0 HA ASP A 61 13.739 -1.489 7.175 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.909 -0.526 7.781 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.911 -1.478 8.858 1.00 0.16 H new ATOM 951 N ALA A 62 11.349 -2.422 5.247 1.00 0.11 N ATOM 952 CA ALA A 62 10.647 -3.581 4.629 1.00 0.12 C ATOM 953 C ALA A 62 11.149 -3.713 3.191 1.00 0.11 C ATOM 954 O ALA A 62 10.401 -3.990 2.273 1.00 0.12 O ATOM 955 CB ALA A 62 9.130 -3.335 4.654 1.00 0.14 C ATOM 0 H ALA A 62 11.240 -1.544 4.739 1.00 0.11 H new ATOM 0 HA ALA A 62 10.849 -4.500 5.179 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.616 -4.183 4.202 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.797 -3.217 5.685 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.899 -2.430 4.093 1.00 0.14 H new ATOM 961 N GLN A 63 12.414 -3.484 2.997 1.00 0.11 N ATOM 962 CA GLN A 63 12.994 -3.556 1.631 1.00 0.12 C ATOM 963 C GLN A 63 12.792 -4.958 1.054 1.00 0.12 C ATOM 964 O GLN A 63 12.705 -5.129 -0.142 1.00 0.14 O ATOM 965 CB GLN A 63 14.489 -3.223 1.706 1.00 0.13 C ATOM 966 CG GLN A 63 15.236 -4.343 2.440 1.00 0.15 C ATOM 967 CD GLN A 63 16.675 -3.909 2.709 1.00 0.77 C ATOM 968 OE1 GLN A 63 17.433 -3.672 1.790 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.091 -3.798 3.943 1.00 1.43 N ATOM 0 H GLN A 63 13.078 -3.247 3.734 1.00 0.11 H new ATOM 0 HA GLN A 63 12.495 -2.838 0.980 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.894 -3.101 0.702 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.634 -2.276 2.225 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.734 -4.574 3.379 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.226 -5.254 1.841 1.00 0.15 H new ATOM 0 HE21 GLN A 63 16.455 -3.997 4.715 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.051 -3.513 4.134 1.00 1.43 H new ATOM 978 N ASP A 64 12.708 -5.965 1.878 1.00 0.13 N ATOM 979 CA ASP A 64 12.503 -7.330 1.336 1.00 0.13 C ATOM 980 C ASP A 64 11.146 -7.393 0.636 1.00 0.15 C ATOM 981 O ASP A 64 10.990 -8.051 -0.373 1.00 0.16 O ATOM 982 CB ASP A 64 12.551 -8.358 2.470 1.00 0.17 C ATOM 983 CG ASP A 64 11.635 -7.925 3.613 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.460 -7.741 3.361 1.00 1.02 O ATOM 985 OD2 ASP A 64 12.124 -7.784 4.721 1.00 1.05 O ATOM 0 H ASP A 64 12.772 -5.900 2.894 1.00 0.13 H new ATOM 0 HA ASP A 64 13.294 -7.559 0.622 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.243 -9.335 2.098 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.573 -8.462 2.833 1.00 0.17 H new ATOM 990 N VAL A 65 10.165 -6.707 1.157 1.00 0.17 N ATOM 991 CA VAL A 65 8.822 -6.730 0.516 1.00 0.22 C ATOM 992 C VAL A 65 8.863 -5.935 -0.793 1.00 0.22 C ATOM 993 O VAL A 65 8.325 -6.346 -1.802 1.00 0.26 O ATOM 994 CB VAL A 65 7.805 -6.068 1.455 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.388 -6.394 0.982 1.00 0.35 C ATOM 996 CG2 VAL A 65 8.010 -6.578 2.884 1.00 0.32 C ATOM 0 H VAL A 65 10.237 -6.133 1.997 1.00 0.17 H new ATOM 0 HA VAL A 65 8.537 -7.763 0.315 1.00 0.22 H new ATOM 0 HB VAL A 65 7.949 -4.988 1.442 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.665 -5.924 1.649 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.247 -6.017 -0.031 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.241 -7.474 0.991 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.285 -6.105 3.547 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.872 -7.659 2.908 1.00 0.32 H new ATOM 0 HG23 VAL A 65 9.019 -6.334 3.216 1.00 0.32 H new ATOM 1006 N ALA A 66 9.483 -4.788 -0.773 1.00 0.19 N ATOM 1007 CA ALA A 66 9.552 -3.947 -1.998 1.00 0.22 C ATOM 1008 C ALA A 66 10.504 -4.573 -3.018 1.00 0.23 C ATOM 1009 O ALA A 66 10.253 -4.559 -4.208 1.00 0.26 O ATOM 1010 CB ALA A 66 10.039 -2.545 -1.627 1.00 0.25 C ATOM 0 H ALA A 66 9.948 -4.395 0.046 1.00 0.19 H new ATOM 0 HA ALA A 66 8.558 -3.882 -2.441 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.090 -1.928 -2.524 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.346 -2.095 -0.916 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.029 -2.611 -1.176 1.00 0.25 H new ATOM 1016 N SER A 67 11.602 -5.110 -2.566 1.00 0.21 N ATOM 1017 CA SER A 67 12.567 -5.721 -3.519 1.00 0.23 C ATOM 1018 C SER A 67 11.872 -6.852 -4.272 1.00 0.23 C ATOM 1019 O SER A 67 12.167 -7.125 -5.417 1.00 0.24 O ATOM 1020 CB SER A 67 13.767 -6.275 -2.750 1.00 0.23 C ATOM 1021 OG SER A 67 13.333 -7.335 -1.905 1.00 0.22 O ATOM 0 H SER A 67 11.872 -5.152 -1.583 1.00 0.21 H new ATOM 0 HA SER A 67 12.914 -4.968 -4.226 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.525 -6.636 -3.446 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.229 -5.486 -2.156 1.00 0.23 H new ATOM 0 HG SER A 67 12.407 -7.174 -1.628 1.00 0.22 H new ATOM 1027 N GLU A 68 10.929 -7.492 -3.641 1.00 0.23 N ATOM 1028 CA GLU A 68 10.188 -8.590 -4.316 1.00 0.25 C ATOM 1029 C GLU A 68 9.483 -8.026 -5.552 1.00 0.22 C ATOM 1030 O GLU A 68 9.418 -8.654 -6.590 1.00 0.24 O ATOM 1031 CB GLU A 68 9.151 -9.169 -3.349 1.00 0.29 C ATOM 1032 CG GLU A 68 8.527 -10.429 -3.952 1.00 0.32 C ATOM 1033 CD GLU A 68 7.296 -10.831 -3.136 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.017 -10.157 -2.158 1.00 1.96 O ATOM 1035 OE2 GLU A 68 6.654 -11.801 -3.502 1.00 2.06 O ATOM 0 H GLU A 68 10.639 -7.300 -2.682 1.00 0.23 H new ATOM 0 HA GLU A 68 10.879 -9.378 -4.616 1.00 0.25 H new ATOM 0 HB2 GLU A 68 9.622 -9.406 -2.395 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.376 -8.429 -3.147 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.245 -10.247 -4.989 1.00 0.32 H new ATOM 0 HG3 GLU A 68 9.254 -11.241 -3.957 1.00 0.32 H new ATOM 1042 N ALA A 69 8.935 -6.844 -5.438 1.00 0.20 N ATOM 1043 CA ALA A 69 8.215 -6.231 -6.594 1.00 0.20 C ATOM 1044 C ALA A 69 9.167 -5.371 -7.431 1.00 0.19 C ATOM 1045 O ALA A 69 8.760 -4.756 -8.394 1.00 0.20 O ATOM 1046 CB ALA A 69 7.076 -5.354 -6.073 1.00 0.23 C ATOM 0 H ALA A 69 8.955 -6.275 -4.592 1.00 0.20 H new ATOM 0 HA ALA A 69 7.819 -7.030 -7.221 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.548 -4.905 -6.914 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.383 -5.964 -5.494 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.484 -4.567 -5.439 1.00 0.23 H new ATOM 1052 N GLU A 70 10.421 -5.298 -7.066 1.00 0.18 N ATOM 1053 CA GLU A 70 11.373 -4.449 -7.846 1.00 0.18 C ATOM 1054 C GLU A 70 10.835 -3.027 -7.911 1.00 0.17 C ATOM 1055 O GLU A 70 10.751 -2.443 -8.972 1.00 0.18 O ATOM 1056 CB GLU A 70 11.544 -4.958 -9.285 1.00 0.22 C ATOM 1057 CG GLU A 70 12.107 -6.379 -9.296 1.00 0.24 C ATOM 1058 CD GLU A 70 13.530 -6.382 -8.730 1.00 1.24 C ATOM 1059 OE1 GLU A 70 14.100 -5.312 -8.604 1.00 2.02 O ATOM 1060 OE2 GLU A 70 14.025 -7.457 -8.437 1.00 2.02 O ATOM 0 H GLU A 70 10.826 -5.786 -6.267 1.00 0.18 H new ATOM 0 HA GLU A 70 12.339 -4.488 -7.343 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.583 -4.939 -9.799 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.212 -4.293 -9.833 1.00 0.22 H new ATOM 0 HG2 GLU A 70 11.470 -7.036 -8.704 1.00 0.24 H new ATOM 0 HG3 GLU A 70 12.110 -6.770 -10.313 1.00 0.24 H new ATOM 1067 N VAL A 71 10.459 -2.454 -6.806 1.00 0.15 N ATOM 1068 CA VAL A 71 9.912 -1.075 -6.878 1.00 0.14 C ATOM 1069 C VAL A 71 11.006 -0.151 -7.402 1.00 0.14 C ATOM 1070 O VAL A 71 12.131 -0.173 -6.939 1.00 0.16 O ATOM 1071 CB VAL A 71 9.483 -0.596 -5.495 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.785 0.759 -5.640 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.517 -1.606 -4.865 1.00 0.15 C ATOM 0 H VAL A 71 10.505 -2.869 -5.875 1.00 0.15 H new ATOM 0 HA VAL A 71 9.044 -1.066 -7.538 1.00 0.14 H new ATOM 0 HB VAL A 71 10.358 -0.500 -4.853 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.472 1.114 -4.658 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.474 1.478 -6.083 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.911 0.651 -6.282 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.216 -1.255 -3.878 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.635 -1.709 -5.497 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.012 -2.573 -4.771 1.00 0.15 H new ATOM 1083 N LYS A 72 10.685 0.646 -8.389 1.00 0.15 N ATOM 1084 CA LYS A 72 11.694 1.566 -8.981 1.00 0.16 C ATOM 1085 C LYS A 72 11.470 2.996 -8.457 1.00 0.15 C ATOM 1086 O LYS A 72 12.295 3.868 -8.653 1.00 0.16 O ATOM 1087 CB LYS A 72 11.542 1.532 -10.509 1.00 0.19 C ATOM 1088 CG LYS A 72 11.774 0.099 -11.037 1.00 0.23 C ATOM 1089 CD LYS A 72 13.274 -0.202 -11.137 1.00 0.74 C ATOM 1090 CE LYS A 72 13.473 -1.566 -11.804 1.00 0.88 C ATOM 1091 NZ LYS A 72 13.076 -1.483 -13.239 1.00 1.60 N ATOM 0 H LYS A 72 9.758 0.697 -8.812 1.00 0.15 H new ATOM 0 HA LYS A 72 12.699 1.251 -8.701 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.546 1.874 -10.790 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.256 2.216 -10.968 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.296 -0.621 -10.373 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.309 -0.014 -12.016 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.775 0.575 -11.715 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.724 -0.201 -10.144 1.00 0.74 H new ATOM 0 HE2 LYS A 72 14.515 -1.874 -11.722 1.00 0.88 H new ATOM 0 HE3 LYS A 72 12.876 -2.322 -11.294 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 13.539 -2.247 -13.772 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 12.044 -1.580 -13.320 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 13.369 -0.564 -13.628 1.00 1.60 H new ATOM 1105 N ALA A 73 10.371 3.252 -7.788 1.00 0.13 N ATOM 1106 CA ALA A 73 10.133 4.634 -7.260 1.00 0.13 C ATOM 1107 C ALA A 73 9.037 4.635 -6.189 1.00 0.11 C ATOM 1108 O ALA A 73 8.176 3.783 -6.168 1.00 0.12 O ATOM 1109 CB ALA A 73 9.716 5.561 -8.404 1.00 0.14 C ATOM 0 H ALA A 73 9.637 2.574 -7.586 1.00 0.13 H new ATOM 0 HA ALA A 73 11.061 4.988 -6.811 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.544 6.565 -8.015 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.507 5.593 -9.153 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.799 5.187 -8.860 1.00 0.14 H new ATOM 1115 N THR A 74 9.051 5.620 -5.322 1.00 0.11 N ATOM 1116 CA THR A 74 8.007 5.742 -4.256 1.00 0.11 C ATOM 1117 C THR A 74 7.408 7.151 -4.349 1.00 0.12 C ATOM 1118 O THR A 74 8.073 8.055 -4.807 1.00 0.15 O ATOM 1119 CB THR A 74 8.674 5.561 -2.878 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.482 6.688 -2.604 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.533 4.307 -2.874 1.00 0.14 C ATOM 0 H THR A 74 9.755 6.358 -5.309 1.00 0.11 H new ATOM 0 HA THR A 74 7.231 4.987 -4.383 1.00 0.11 H new ATOM 0 HB THR A 74 7.903 5.463 -2.114 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.908 6.580 -1.728 1.00 0.15 H new ATOM 0 HG21 THR A 74 10.000 4.189 -1.896 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.910 3.438 -3.086 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.307 4.394 -3.637 1.00 0.14 H new ATOM 1129 N PRO A 75 6.194 7.373 -3.890 1.00 0.13 N ATOM 1130 CA PRO A 75 5.321 6.309 -3.314 1.00 0.10 C ATOM 1131 C PRO A 75 4.694 5.426 -4.394 1.00 0.09 C ATOM 1132 O PRO A 75 4.242 5.907 -5.416 1.00 0.10 O ATOM 1133 CB PRO A 75 4.250 7.140 -2.589 1.00 0.12 C ATOM 1134 CG PRO A 75 4.251 8.538 -3.222 1.00 0.15 C ATOM 1135 CD PRO A 75 5.608 8.742 -3.917 1.00 0.16 C ATOM 0 HA PRO A 75 5.859 5.611 -2.673 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.270 6.674 -2.688 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.468 7.201 -1.523 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.437 8.632 -3.940 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.094 9.302 -2.460 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.491 9.113 -4.935 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.232 9.461 -3.386 1.00 0.16 H new ATOM 1143 N THR A 76 4.622 4.145 -4.146 1.00 0.09 N ATOM 1144 CA THR A 76 3.982 3.209 -5.119 1.00 0.09 C ATOM 1145 C THR A 76 2.894 2.428 -4.404 1.00 0.10 C ATOM 1146 O THR A 76 3.087 1.907 -3.322 1.00 0.12 O ATOM 1147 CB THR A 76 5.007 2.237 -5.703 1.00 0.10 C ATOM 1148 OG1 THR A 76 6.019 2.966 -6.378 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.310 1.284 -6.679 1.00 0.13 C ATOM 0 H THR A 76 4.983 3.702 -3.301 1.00 0.09 H new ATOM 0 HA THR A 76 3.559 3.789 -5.939 1.00 0.09 H new ATOM 0 HB THR A 76 5.460 1.657 -4.899 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.776 3.112 -5.773 1.00 0.11 H new ATOM 0 HG21 THR A 76 5.041 0.591 -7.095 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.538 0.724 -6.152 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.854 1.858 -7.485 1.00 0.13 H new ATOM 1157 N PHE A 77 1.747 2.356 -5.009 1.00 0.10 N ATOM 1158 CA PHE A 77 0.600 1.619 -4.405 1.00 0.10 C ATOM 1159 C PHE A 77 0.335 0.360 -5.231 1.00 0.10 C ATOM 1160 O PHE A 77 0.235 0.416 -6.440 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.641 2.516 -4.434 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.371 3.774 -3.641 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.561 3.787 -2.252 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.065 4.930 -4.297 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.317 4.960 -1.521 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.312 6.103 -3.569 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.119 6.119 -2.179 1.00 0.19 C ATOM 0 H PHE A 77 1.548 2.783 -5.914 1.00 0.10 H new ATOM 0 HA PHE A 77 0.829 1.345 -3.375 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.896 2.769 -5.463 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.496 1.986 -4.015 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -0.895 2.894 -1.744 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.212 4.919 -5.367 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.465 4.970 -0.451 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.651 6.993 -4.078 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.306 7.022 -1.617 1.00 0.19 H new ATOM 1177 N GLN A 78 0.203 -0.775 -4.588 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.070 -2.045 -5.336 1.00 0.09 C ATOM 1179 C GLN A 78 -1.350 -2.664 -4.812 1.00 0.08 C ATOM 1180 O GLN A 78 -1.609 -2.674 -3.625 1.00 0.09 O ATOM 1181 CB GLN A 78 1.083 -3.028 -5.133 1.00 0.09 C ATOM 1182 CG GLN A 78 2.314 -2.525 -5.885 1.00 0.12 C ATOM 1183 CD GLN A 78 3.431 -3.568 -5.794 1.00 0.15 C ATOM 1184 OE1 GLN A 78 4.673 -3.175 -5.806 1.00 0.27 O flip ATOM 1185 NE2 GLN A 78 3.168 -4.752 -5.711 1.00 0.29 N flip ATOM 0 H GLN A 78 0.272 -0.878 -3.576 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.170 -1.823 -6.398 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.307 -3.129 -4.071 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.801 -4.017 -5.494 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.063 -2.336 -6.929 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.650 -1.579 -5.461 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.195 -5.059 -5.702 1.00 0.29 H new ATOM 0 HE22 GLN A 78 3.920 -5.438 -5.651 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.157 -3.177 -5.695 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.447 -3.796 -5.272 1.00 0.07 C ATOM 1196 C PHE A 79 -3.356 -5.310 -5.343 1.00 0.07 C ATOM 1197 O PHE A 79 -2.855 -5.867 -6.295 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.549 -3.293 -6.197 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.685 -1.812 -5.974 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.780 -0.930 -6.574 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.691 -1.323 -5.139 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.889 0.445 -6.344 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.797 0.050 -4.903 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.899 0.934 -5.506 1.00 0.12 C ATOM 0 H PHE A 79 -1.979 -3.195 -6.699 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.669 -3.519 -4.241 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.302 -3.503 -7.238 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.490 -3.801 -5.984 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.998 -1.311 -7.214 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.387 -2.006 -4.675 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.196 1.128 -6.812 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.573 0.428 -4.254 1.00 0.14 H new ATOM 0 HZ PHE A 79 -4.984 1.995 -5.326 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.858 -5.975 -4.334 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.837 -7.465 -4.303 1.00 0.08 C ATOM 1216 C PHE A 80 -5.240 -7.982 -3.996 1.00 0.09 C ATOM 1217 O PHE A 80 -5.995 -7.363 -3.273 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.856 -7.951 -3.229 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.433 -7.698 -3.676 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.793 -6.485 -3.372 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.745 -8.691 -4.386 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.529 -6.273 -3.781 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.578 -8.476 -4.789 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.215 -7.267 -4.487 1.00 0.15 C ATOM 0 H PHE A 80 -4.288 -5.539 -3.518 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.514 -7.844 -5.273 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -3.048 -7.434 -2.289 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.004 -9.015 -3.044 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.320 -5.718 -2.824 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.236 -9.623 -4.623 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.021 -5.339 -3.551 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.108 -9.244 -5.333 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.236 -7.101 -4.799 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.594 -9.117 -4.542 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.951 -9.686 -4.288 1.00 0.12 C ATOM 1236 C LYS A 81 -6.817 -11.212 -4.265 1.00 0.11 C ATOM 1237 O LYS A 81 -6.327 -11.808 -5.197 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.891 -9.242 -5.418 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.343 -9.552 -5.041 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.274 -9.207 -6.209 1.00 0.73 C ATOM 1241 CE LYS A 81 -10.432 -7.687 -6.343 1.00 1.02 C ATOM 1242 NZ LYS A 81 -11.642 -7.389 -7.164 1.00 1.68 N ATOM 0 H LYS A 81 -5.000 -9.676 -5.155 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.360 -9.339 -3.339 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.774 -8.174 -5.601 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.629 -9.755 -6.343 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.443 -10.607 -4.785 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.628 -8.981 -4.157 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.873 -9.619 -7.135 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -11.250 -9.667 -6.052 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -10.525 -7.231 -5.357 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -9.546 -7.257 -6.810 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -12.098 -6.524 -6.809 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -11.363 -7.251 -8.156 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.309 -8.184 -7.100 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.207 -11.845 -3.193 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.054 -13.330 -3.104 1.00 0.13 C ATOM 1258 C LYS A 82 -5.587 -13.693 -3.316 1.00 0.13 C ATOM 1259 O LYS A 82 -5.268 -14.716 -3.885 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.906 -14.046 -4.158 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.379 -13.705 -3.951 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.179 -14.119 -5.188 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.666 -13.892 -4.929 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.147 -14.878 -3.922 1.00 1.22 N ATOM 0 H LYS A 82 -7.625 -11.402 -2.375 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.391 -13.650 -2.118 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.591 -13.747 -5.158 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.759 -15.124 -4.087 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.761 -14.219 -3.069 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.494 -12.636 -3.772 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.857 -13.540 -6.054 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -9.995 -15.168 -5.420 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -11.833 -12.877 -4.569 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -12.229 -13.998 -5.856 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.101 -14.613 -3.605 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -12.175 -15.826 -4.350 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -11.501 -14.885 -3.107 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.688 -12.864 -2.861 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.246 -13.165 -3.030 1.00 0.16 C ATOM 1280 C GLY A 83 -2.834 -12.936 -4.483 1.00 0.16 C ATOM 1281 O GLY A 83 -1.833 -13.462 -4.930 1.00 0.23 O ATOM 0 H GLY A 83 -4.895 -11.989 -2.379 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.653 -12.531 -2.371 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -3.045 -14.198 -2.744 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.595 -12.163 -5.231 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.240 -11.911 -6.668 1.00 0.15 C ATOM 1287 C GLN A 84 -3.116 -10.410 -6.942 1.00 0.12 C ATOM 1288 O GLN A 84 -3.980 -9.636 -6.600 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.332 -12.492 -7.578 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.295 -14.022 -7.528 1.00 0.33 C ATOM 1291 CD GLN A 84 -3.062 -14.525 -8.277 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -2.269 -13.663 -8.851 1.00 0.95 O flip ATOM 1293 NE2 GLN A 84 -2.820 -15.713 -8.341 1.00 2.07 N flip ATOM 0 H GLN A 84 -4.443 -11.698 -4.908 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.283 -12.391 -6.873 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.311 -12.133 -7.260 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -4.184 -12.150 -8.602 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -4.269 -14.362 -6.493 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -5.199 -14.433 -7.976 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -3.442 -16.385 -7.891 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -1.995 -16.039 -8.844 1.00 2.07 H new ATOM 1302 N LYS A 85 -2.054 -10.004 -7.595 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.865 -8.558 -7.926 1.00 0.12 C ATOM 1304 C LYS A 85 -2.723 -8.209 -9.142 1.00 0.14 C ATOM 1305 O LYS A 85 -2.615 -8.829 -10.182 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.386 -8.319 -8.255 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.132 -6.833 -8.508 1.00 0.20 C ATOM 1308 CD LYS A 85 1.278 -6.655 -9.068 1.00 0.28 C ATOM 1309 CE LYS A 85 1.586 -5.165 -9.197 1.00 1.28 C ATOM 1310 NZ LYS A 85 2.982 -4.985 -9.684 1.00 1.82 N ATOM 0 H LYS A 85 -1.305 -10.618 -7.915 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.161 -7.934 -7.082 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.238 -8.666 -7.431 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.104 -8.898 -9.134 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.868 -6.440 -9.210 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.242 -6.270 -7.581 1.00 0.20 H new ATOM 0 HD2 LYS A 85 2.005 -7.133 -8.412 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.359 -7.140 -10.041 1.00 0.28 H new ATOM 0 HE2 LYS A 85 0.885 -4.697 -9.888 1.00 1.28 H new ATOM 0 HE3 LYS A 85 1.460 -4.672 -8.233 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 3.191 -3.970 -9.772 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 3.644 -5.418 -9.008 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 3.087 -5.441 -10.613 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.584 -7.225 -9.012 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.470 -6.822 -10.150 1.00 0.18 C ATOM 1326 C VAL A 86 -4.295 -5.336 -10.482 1.00 0.17 C ATOM 1327 O VAL A 86 -5.056 -4.783 -11.250 1.00 0.22 O ATOM 1328 CB VAL A 86 -5.927 -7.065 -9.761 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.202 -8.568 -9.658 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.195 -6.408 -8.408 1.00 0.26 C ATOM 0 H VAL A 86 -3.711 -6.681 -8.159 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.198 -7.415 -11.024 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.580 -6.637 -10.522 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.244 -8.729 -9.380 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.006 -9.041 -10.620 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.552 -9.006 -8.900 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.233 -6.576 -8.121 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.536 -6.842 -7.656 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.007 -5.337 -8.480 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.327 -4.666 -9.917 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.182 -3.216 -10.250 1.00 0.17 C ATOM 1342 C GLY A 87 -2.002 -2.584 -9.509 1.00 0.12 C ATOM 1343 O GLY A 87 -1.588 -3.042 -8.463 1.00 0.17 O ATOM 0 H GLY A 87 -2.647 -5.044 -9.257 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.041 -3.101 -11.325 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.100 -2.689 -9.991 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.470 -1.520 -10.055 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.323 -0.822 -9.408 1.00 0.13 C ATOM 1349 C GLU A 88 -0.120 0.543 -10.063 1.00 0.11 C ATOM 1350 O GLU A 88 -0.358 0.719 -11.241 1.00 0.14 O ATOM 1351 CB GLU A 88 0.943 -1.680 -9.557 1.00 0.21 C ATOM 1352 CG GLU A 88 2.194 -0.895 -9.126 1.00 0.58 C ATOM 1353 CD GLU A 88 2.671 0.016 -10.267 1.00 1.13 C ATOM 1354 OE1 GLU A 88 2.081 -0.036 -11.333 1.00 1.87 O ATOM 1355 OE2 GLU A 88 3.628 0.743 -10.054 1.00 1.93 O ATOM 0 H GLU A 88 -1.786 -1.103 -10.930 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.530 -0.675 -8.348 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.849 -2.582 -8.952 1.00 0.21 H new ATOM 0 HB3 GLU A 88 1.050 -2.001 -10.593 1.00 0.21 H new ATOM 0 HG2 GLU A 88 1.970 -0.296 -8.243 1.00 0.58 H new ATOM 0 HG3 GLU A 88 2.988 -1.588 -8.848 1.00 0.58 H new ATOM 1362 N PHE A 89 0.346 1.504 -9.314 1.00 0.10 N ATOM 1363 CA PHE A 89 0.600 2.849 -9.907 1.00 0.09 C ATOM 1364 C PHE A 89 1.495 3.657 -8.967 1.00 0.10 C ATOM 1365 O PHE A 89 1.601 3.364 -7.792 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.731 3.582 -10.161 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.315 4.135 -8.877 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.817 5.327 -8.343 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.366 3.469 -8.238 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.372 5.857 -7.170 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -2.916 3.995 -7.062 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.421 5.191 -6.529 1.00 0.14 C ATOM 0 H PHE A 89 0.561 1.418 -8.321 1.00 0.10 H new ATOM 0 HA PHE A 89 1.107 2.733 -10.865 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.570 4.395 -10.869 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.443 2.896 -10.620 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.004 5.840 -8.835 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.753 2.549 -8.651 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -0.989 6.780 -6.761 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.723 3.477 -6.566 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.848 5.598 -5.625 1.00 0.14 H new ATOM 1382 N SER A 90 2.147 4.668 -9.490 1.00 0.10 N ATOM 1383 CA SER A 90 3.057 5.516 -8.660 1.00 0.10 C ATOM 1384 C SER A 90 2.646 6.973 -8.804 1.00 0.09 C ATOM 1385 O SER A 90 1.942 7.343 -9.722 1.00 0.11 O ATOM 1386 CB SER A 90 4.507 5.377 -9.134 1.00 0.11 C ATOM 1387 OG SER A 90 4.605 5.782 -10.493 1.00 0.12 O ATOM 0 H SER A 90 2.085 4.944 -10.470 1.00 0.10 H new ATOM 0 HA SER A 90 2.984 5.191 -7.622 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.163 5.988 -8.514 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.838 4.344 -9.027 1.00 0.11 H new ATOM 0 HG SER A 90 5.533 5.694 -10.794 1.00 0.12 H new ATOM 1393 N GLY A 91 3.085 7.798 -7.898 1.00 0.09 N ATOM 1394 CA GLY A 91 2.738 9.251 -7.956 1.00 0.09 C ATOM 1395 C GLY A 91 2.033 9.659 -6.670 1.00 0.10 C ATOM 1396 O GLY A 91 1.218 8.933 -6.137 1.00 0.12 O ATOM 0 H GLY A 91 3.675 7.529 -7.111 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.641 9.846 -8.092 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.095 9.448 -8.814 1.00 0.09 H new ATOM 1400 N ALA A 92 2.346 10.816 -6.163 1.00 0.11 N ATOM 1401 CA ALA A 92 1.703 11.275 -4.905 1.00 0.14 C ATOM 1402 C ALA A 92 0.271 11.751 -5.181 1.00 0.13 C ATOM 1403 O ALA A 92 -0.052 12.903 -4.967 1.00 0.17 O ATOM 1404 CB ALA A 92 2.519 12.442 -4.352 1.00 0.18 C ATOM 0 H ALA A 92 3.021 11.465 -6.567 1.00 0.11 H new ATOM 0 HA ALA A 92 1.667 10.453 -4.191 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.065 12.797 -3.427 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.538 12.111 -4.153 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.536 13.252 -5.081 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.595 10.864 -5.622 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.021 11.248 -5.883 1.00 0.14 C ATOM 1412 C ASN A 93 -2.924 10.410 -4.976 1.00 0.13 C ATOM 1413 O ASN A 93 -3.206 9.262 -5.252 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.375 10.975 -7.341 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.767 11.539 -7.619 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.757 10.990 -7.190 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -3.885 12.631 -8.312 1.00 0.75 N ATOM 0 H ASN A 93 -0.373 9.887 -5.813 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.160 12.310 -5.679 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.641 11.437 -8.001 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.354 9.904 -7.541 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -4.809 13.023 -8.493 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.053 13.097 -8.675 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.369 10.974 -3.891 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.240 10.215 -2.948 1.00 0.15 C ATOM 1426 C LYS A 94 -5.629 9.953 -3.548 1.00 0.15 C ATOM 1427 O LYS A 94 -6.254 8.955 -3.260 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.391 11.040 -1.669 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.862 12.482 -2.007 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.712 13.486 -1.845 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.274 14.906 -1.898 1.00 0.59 C ATOM 1432 NZ LYS A 94 -4.792 15.180 -3.269 1.00 1.06 N ATOM 0 H LYS A 94 -3.167 11.934 -3.613 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.779 9.249 -2.742 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.110 10.562 -1.003 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.440 11.076 -1.138 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.238 12.516 -3.029 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.689 12.761 -1.354 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.199 13.320 -0.898 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.975 13.344 -2.635 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -5.073 15.021 -1.165 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -3.498 15.626 -1.639 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -4.858 16.207 -3.416 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -4.145 14.770 -3.973 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -5.735 14.754 -3.376 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.121 10.833 -4.375 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.467 10.626 -4.974 1.00 0.15 C ATOM 1448 C GLU A 95 -7.439 9.410 -5.901 1.00 0.15 C ATOM 1449 O GLU A 95 -8.431 8.741 -6.110 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.862 11.874 -5.761 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.899 13.072 -4.811 1.00 0.19 C ATOM 1452 CD GLU A 95 -8.430 14.301 -5.550 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -8.472 14.264 -6.766 1.00 1.55 O ATOM 1454 OE2 GLU A 95 -8.783 15.260 -4.883 1.00 1.61 O ATOM 0 H GLU A 95 -5.646 11.689 -4.662 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.197 10.449 -4.184 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.148 12.053 -6.565 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.837 11.732 -6.226 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -8.534 12.849 -3.954 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -6.900 13.272 -4.424 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.305 9.138 -6.470 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.179 7.984 -7.398 1.00 0.15 C ATOM 1463 C LYS A 96 -6.502 6.704 -6.632 1.00 0.14 C ATOM 1464 O LYS A 96 -7.088 5.778 -7.156 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.744 7.948 -7.917 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.613 6.967 -9.085 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.310 7.263 -9.837 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.161 6.293 -11.013 1.00 0.82 C ATOM 1469 NZ LYS A 96 -1.893 6.585 -11.743 1.00 1.45 N ATOM 0 H LYS A 96 -5.447 9.672 -6.331 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.867 8.076 -8.238 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.444 8.945 -8.238 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.069 7.655 -7.113 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.611 5.941 -8.717 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.466 7.064 -9.756 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.313 8.291 -10.199 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.459 7.165 -9.163 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -3.156 5.265 -10.651 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -4.012 6.390 -11.688 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -1.784 5.915 -12.531 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -1.922 7.556 -12.115 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.088 6.488 -11.092 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.137 6.660 -5.382 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.433 5.458 -4.557 1.00 0.13 C ATOM 1485 C LEU A 97 -7.942 5.257 -4.521 1.00 0.14 C ATOM 1486 O LEU A 97 -8.448 4.153 -4.563 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.969 5.705 -3.113 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.448 5.607 -2.995 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -4.039 6.064 -1.587 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -3.988 4.151 -3.227 1.00 0.19 C ATOM 0 H LEU A 97 -5.644 7.408 -4.895 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.925 4.591 -4.980 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.299 6.691 -2.786 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.435 4.977 -2.449 1.00 0.13 H new ATOM 0 HG LEU A 97 -3.978 6.241 -3.747 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.956 6.001 -1.484 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.359 7.094 -1.432 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.512 5.422 -0.844 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.903 4.094 -3.140 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.446 3.501 -2.481 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.290 3.828 -4.223 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.652 6.333 -4.414 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.141 6.251 -4.327 1.00 0.15 C ATOM 1504 C GLU A 98 -10.737 5.608 -5.583 1.00 0.16 C ATOM 1505 O GLU A 98 -11.667 4.831 -5.499 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.699 7.674 -4.160 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.225 7.649 -3.963 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.566 7.108 -2.573 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -11.645 6.783 -1.841 1.00 2.10 O ATOM 1510 OE2 GLU A 98 -13.742 7.034 -2.261 1.00 2.00 O ATOM 0 H GLU A 98 -8.270 7.278 -4.382 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.412 5.629 -3.474 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.226 8.156 -3.304 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.452 8.271 -5.038 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.631 8.654 -4.081 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.688 7.026 -4.728 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.247 5.941 -6.744 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.844 5.357 -7.986 1.00 0.17 C ATOM 1519 C ALA A 99 -10.558 3.858 -8.115 1.00 0.16 C ATOM 1520 O ALA A 99 -11.426 3.084 -8.468 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.283 6.076 -9.213 1.00 0.19 C ATOM 0 H ALA A 99 -9.469 6.584 -6.891 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.924 5.491 -7.921 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.719 5.649 -10.116 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.529 7.136 -9.158 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.200 5.956 -9.241 1.00 0.19 H new ATOM 1527 N THR A 100 -9.354 3.436 -7.862 1.00 0.16 N ATOM 1528 CA THR A 100 -9.042 1.989 -8.013 1.00 0.16 C ATOM 1529 C THR A 100 -9.807 1.173 -6.968 1.00 0.15 C ATOM 1530 O THR A 100 -10.310 0.105 -7.251 1.00 0.15 O ATOM 1531 CB THR A 100 -7.538 1.764 -7.860 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.844 2.649 -8.727 1.00 0.19 O ATOM 1533 CG2 THR A 100 -7.199 0.318 -8.233 1.00 0.20 C ATOM 0 H THR A 100 -8.577 4.024 -7.560 1.00 0.16 H new ATOM 0 HA THR A 100 -9.350 1.661 -9.006 1.00 0.16 H new ATOM 0 HB THR A 100 -7.242 1.952 -6.828 1.00 0.17 H new ATOM 0 HG1 THR A 100 -5.879 2.510 -8.632 1.00 0.19 H new ATOM 0 HG21 THR A 100 -6.127 0.156 -8.124 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.737 -0.363 -7.574 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.491 0.131 -9.266 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.908 1.668 -5.765 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.647 0.910 -4.711 1.00 0.13 C ATOM 1543 C ILE A 101 -12.084 0.720 -5.165 1.00 0.14 C ATOM 1544 O ILE A 101 -12.601 -0.374 -5.167 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.634 1.728 -3.413 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.212 1.742 -2.835 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.596 1.112 -2.391 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.072 2.887 -1.832 1.00 0.16 C ATOM 0 H ILE A 101 -9.514 2.560 -5.465 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.178 -0.060 -4.543 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.954 2.747 -3.630 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.999 0.791 -2.347 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.484 1.859 -3.638 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.578 1.701 -1.474 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.607 1.107 -2.800 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.288 0.090 -2.172 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.061 2.892 -1.425 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.267 3.835 -2.333 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.789 2.751 -1.022 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.721 1.776 -5.568 1.00 0.17 N ATOM 1561 CA ASN A 102 -14.120 1.662 -6.042 1.00 0.20 C ATOM 1562 C ASN A 102 -14.150 0.746 -7.261 1.00 0.19 C ATOM 1563 O ASN A 102 -15.102 0.034 -7.504 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.649 3.048 -6.416 1.00 0.25 C ATOM 1565 CG ASN A 102 -16.153 2.961 -6.664 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.843 2.197 -6.021 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.695 3.722 -7.571 1.00 0.55 N ATOM 0 H ASN A 102 -12.331 2.718 -5.590 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.749 1.246 -5.255 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.441 3.758 -5.616 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -14.142 3.415 -7.308 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.700 3.676 -7.741 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.115 4.364 -8.111 1.00 0.55 H new ATOM 1574 N GLU A 103 -13.113 0.787 -8.046 1.00 0.18 N ATOM 1575 CA GLU A 103 -13.057 -0.050 -9.271 1.00 0.18 C ATOM 1576 C GLU A 103 -12.954 -1.534 -8.908 1.00 0.16 C ATOM 1577 O GLU A 103 -13.571 -2.379 -9.529 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.810 0.349 -10.059 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.841 -0.303 -11.445 1.00 0.21 C ATOM 1580 CD GLU A 103 -12.946 0.328 -12.295 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -13.534 1.298 -11.846 1.00 2.21 O ATOM 1582 OE2 GLU A 103 -13.181 -0.166 -13.385 1.00 2.04 O ATOM 0 H GLU A 103 -12.293 1.372 -7.888 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.963 0.105 -9.857 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.763 1.433 -10.158 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.914 0.039 -9.521 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -10.876 -0.178 -11.937 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -12.013 -1.375 -11.348 1.00 0.21 H new ATOM 1589 N LEU A 104 -12.162 -1.862 -7.921 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.990 -3.295 -7.531 1.00 0.14 C ATOM 1591 C LEU A 104 -12.889 -3.651 -6.343 1.00 0.13 C ATOM 1592 O LEU A 104 -12.909 -4.784 -5.904 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.525 -3.536 -7.140 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.599 -3.223 -8.325 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -8.143 -3.389 -7.880 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.893 -4.179 -9.498 1.00 0.25 C ATOM 0 H LEU A 104 -11.624 -1.197 -7.365 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.268 -3.922 -8.378 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.261 -2.910 -6.288 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.390 -4.572 -6.828 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.772 -2.199 -8.656 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.480 -3.168 -8.716 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.933 -2.703 -7.059 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.979 -4.414 -7.547 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -9.230 -3.947 -10.332 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.728 -5.208 -9.179 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.929 -4.059 -9.814 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.627 -2.715 -5.805 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.495 -3.061 -4.640 1.00 0.15 C ATOM 1610 C VAL A 105 -15.587 -4.034 -5.096 1.00 0.16 C ATOM 1611 O VAL A 105 -16.152 -3.806 -6.153 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.151 -1.799 -4.047 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.290 -1.304 -4.956 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.713 -2.142 -2.661 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.840 -4.990 -4.380 1.00 1.08 O ATOM 0 H VAL A 105 -13.667 -1.744 -6.114 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.876 -3.522 -3.870 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.405 -1.009 -3.968 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.741 -0.412 -4.521 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.891 -1.065 -5.942 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -17.046 -2.084 -5.050 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.181 -1.257 -2.229 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.455 -2.935 -2.755 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.903 -2.478 -2.013 1.00 0.19 H new ATOM 1683 N LYS B 63 7.190 14.980 -5.907 1.00 0.19 N ATOM 1684 CA LYS B 63 6.018 14.060 -5.840 1.00 0.14 C ATOM 1685 C LYS B 63 6.515 12.609 -5.808 1.00 0.12 C ATOM 1686 O LYS B 63 5.781 11.703 -5.454 1.00 0.12 O ATOM 1687 CB LYS B 63 5.133 14.267 -7.077 1.00 0.17 C ATOM 1688 CG LYS B 63 4.655 15.729 -7.162 1.00 0.20 C ATOM 1689 CD LYS B 63 3.966 16.156 -5.858 1.00 0.40 C ATOM 1690 CE LYS B 63 3.032 17.342 -6.127 1.00 0.35 C ATOM 1691 NZ LYS B 63 2.379 17.759 -4.854 1.00 1.31 N ATOM 0 HA LYS B 63 5.440 14.270 -4.940 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.690 14.008 -7.977 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.273 13.599 -7.031 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.504 16.383 -7.360 1.00 0.20 H new ATOM 0 HG3 LYS B 63 3.964 15.842 -7.997 1.00 0.20 H new ATOM 0 HD2 LYS B 63 3.399 15.321 -5.446 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.714 16.432 -5.114 1.00 0.40 H new ATOM 0 HE2 LYS B 63 3.596 18.174 -6.549 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.276 17.064 -6.862 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 1.745 18.563 -5.036 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 1.828 16.965 -4.470 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 3.107 18.040 -4.166 1.00 1.31 H new ATOM 1705 N ILE B 64 7.753 12.393 -6.192 1.00 0.11 N ATOM 1706 CA ILE B 64 8.353 11.010 -6.200 1.00 0.11 C ATOM 1707 C ILE B 64 9.696 11.031 -5.450 1.00 0.10 C ATOM 1708 O ILE B 64 10.475 11.951 -5.605 1.00 0.11 O ATOM 1709 CB ILE B 64 8.634 10.564 -7.648 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.326 10.438 -8.443 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.369 9.215 -7.657 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.359 9.457 -7.757 1.00 0.15 C ATOM 0 H ILE B 64 8.387 13.128 -6.506 1.00 0.11 H new ATOM 0 HA ILE B 64 7.652 10.325 -5.723 1.00 0.11 H new ATOM 0 HB ILE B 64 9.261 11.321 -8.118 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.855 11.417 -8.533 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.542 10.094 -9.455 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.561 8.912 -8.686 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.315 9.313 -7.125 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.753 8.462 -7.166 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.440 9.385 -8.339 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.825 8.474 -7.691 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.126 9.817 -6.755 1.00 0.15 H new ATOM 1724 N CYS B 65 9.995 10.012 -4.671 1.00 0.09 N ATOM 1725 CA CYS B 65 11.318 9.964 -3.963 1.00 0.10 C ATOM 1726 C CYS B 65 12.233 9.013 -4.756 1.00 0.10 C ATOM 1727 O CYS B 65 11.864 7.893 -5.054 1.00 0.11 O ATOM 1728 CB CYS B 65 11.166 9.438 -2.524 1.00 0.10 C ATOM 1729 SG CYS B 65 9.775 10.245 -1.682 1.00 0.19 S ATOM 0 H CYS B 65 9.382 9.216 -4.496 1.00 0.09 H new ATOM 0 HA CYS B 65 11.736 10.969 -3.907 1.00 0.10 H new ATOM 0 HB2 CYS B 65 11.009 8.359 -2.542 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.086 9.617 -1.968 1.00 0.10 H new ATOM 1734 N SER B 66 13.408 9.453 -5.130 1.00 0.12 N ATOM 1735 CA SER B 66 14.319 8.573 -5.933 1.00 0.14 C ATOM 1736 C SER B 66 15.030 7.553 -5.032 1.00 0.14 C ATOM 1737 O SER B 66 15.448 7.858 -3.931 1.00 0.15 O ATOM 1738 CB SER B 66 15.370 9.439 -6.635 1.00 0.18 C ATOM 1739 OG SER B 66 14.723 10.315 -7.551 1.00 0.20 O ATOM 0 H SER B 66 13.777 10.380 -4.916 1.00 0.12 H new ATOM 0 HA SER B 66 13.720 8.034 -6.667 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.933 10.014 -5.900 1.00 0.18 H new ATOM 0 HB3 SER B 66 16.085 8.807 -7.162 1.00 0.18 H new ATOM 0 HG SER B 66 15.393 10.871 -8.000 1.00 0.20 H new ATOM 1745 N TRP B 67 15.183 6.340 -5.506 1.00 0.15 N ATOM 1746 CA TRP B 67 15.874 5.292 -4.697 1.00 0.16 C ATOM 1747 C TRP B 67 17.372 5.560 -4.688 1.00 0.19 C ATOM 1748 O TRP B 67 18.117 4.954 -3.943 1.00 0.21 O ATOM 1749 CB TRP B 67 15.609 3.905 -5.297 1.00 0.16 C ATOM 1750 CG TRP B 67 14.179 3.555 -5.068 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.135 4.280 -5.503 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.619 2.424 -4.344 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.970 3.669 -5.099 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.217 2.526 -4.373 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.184 1.332 -3.670 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.405 1.586 -3.753 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.372 0.378 -3.048 1.00 0.17 C ATOM 1758 CH2 TRP B 67 11.983 0.508 -3.085 1.00 0.16 C ATOM 0 H TRP B 67 14.857 6.032 -6.422 1.00 0.15 H new ATOM 0 HA TRP B 67 15.490 5.321 -3.677 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.833 3.905 -6.364 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.259 3.162 -4.835 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.199 5.193 -6.076 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.036 4.021 -5.312 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.258 1.226 -3.631 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.331 1.690 -3.788 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.821 -0.461 -2.538 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.358 -0.225 -2.597 1.00 0.16 H new ATOM 1769 N ASN B 68 17.827 6.472 -5.501 1.00 0.23 N ATOM 1770 CA ASN B 68 19.284 6.774 -5.537 1.00 0.27 C ATOM 1771 C ASN B 68 19.758 7.042 -4.109 1.00 0.26 C ATOM 1772 O ASN B 68 20.940 7.086 -3.830 1.00 0.30 O ATOM 1773 CB ASN B 68 19.526 8.015 -6.400 1.00 0.34 C ATOM 1774 CG ASN B 68 19.242 7.671 -7.863 1.00 0.40 C ATOM 1775 OD1 ASN B 68 18.783 6.485 -8.162 1.00 0.49 O flip ATOM 1776 ND2 ASN B 68 19.438 8.487 -8.741 1.00 0.40 N flip ATOM 0 H ASN B 68 17.253 7.021 -6.141 1.00 0.23 H new ATOM 0 HA ASN B 68 19.832 5.933 -5.961 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.881 8.831 -6.074 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.555 8.357 -6.287 1.00 0.34 H new ATOM 0 HD21 ASN B 68 19.796 9.413 -8.506 1.00 0.40 H new ATOM 0 HD22 ASN B 68 19.244 8.247 -9.713 1.00 0.40 H new