USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 ASN :FLIP amide:sc= 1.01 F(o=-1.5,f=2.2) USER MOD Set 1.2: A 11 THR OG1 : rot -108:sc= 1.21 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.256 (180deg=-0.74) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.886 (180deg=-1.62!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= -1.25 F(o=-2.9!,f=-1.3) USER MOD Single : A 8 LYS NZ :NH3+ -110:sc= 1.27 (180deg=-0.286) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 41:sc= 0.324 USER MOD Single : A 19 ASN : amide:sc= 0.553 K(o=0.55,f=-6.7!) USER MOD Single : A 21 THR OG1 : rot -150:sc= 0.00339 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= -0.0341 (180deg=-0.224) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -1.93! C(o=-6.6!,f=-1.9!) USER MOD Single : A 52 THR OG1 : rot 82:sc= 0.419 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.702 -11.234 -2.980 1.00 45.55 N ATOM 2 CA MET A 1 -2.267 -10.907 -1.589 1.00 3.44 C ATOM 3 C MET A 1 -2.822 -9.550 -1.125 1.00 40.11 C ATOM 4 O MET A 1 -3.382 -8.798 -1.920 1.00 4.04 O ATOM 5 CB MET A 1 -0.735 -10.883 -1.500 1.00 40.25 C ATOM 6 CG MET A 1 -0.076 -9.947 -2.509 1.00 71.02 C ATOM 7 SD MET A 1 -0.156 -10.589 -4.191 1.00 74.44 S ATOM 8 CE MET A 1 0.958 -9.468 -5.044 1.00 1.42 C ATOM 0 H1 MET A 1 -3.396 -12.008 -2.954 1.00 45.55 H new ATOM 0 H2 MET A 1 -3.136 -10.395 -3.414 1.00 45.55 H new ATOM 0 H3 MET A 1 -1.877 -11.527 -3.542 1.00 45.55 H new ATOM 0 HA MET A 1 -2.663 -11.684 -0.935 1.00 3.44 H new ATOM 0 HB2 MET A 1 -0.443 -10.582 -0.494 1.00 40.25 H new ATOM 0 HB3 MET A 1 -0.355 -11.893 -1.653 1.00 40.25 H new ATOM 0 HG2 MET A 1 -0.564 -8.973 -2.471 1.00 71.02 H new ATOM 0 HG3 MET A 1 0.966 -9.792 -2.231 1.00 71.02 H new ATOM 0 HE1 MET A 1 0.765 -9.509 -6.116 1.00 1.42 H new ATOM 0 HE2 MET A 1 0.797 -8.452 -4.684 1.00 1.42 H new ATOM 0 HE3 MET A 1 1.989 -9.763 -4.850 1.00 1.42 H new ATOM 20 N ASN A 2 -2.647 -9.238 0.162 1.00 1.31 N ATOM 21 CA ASN A 2 -3.102 -7.957 0.725 1.00 54.32 C ATOM 22 C ASN A 2 -1.938 -6.954 0.843 1.00 13.41 C ATOM 23 O ASN A 2 -0.891 -7.266 1.413 1.00 2.23 O ATOM 24 CB ASN A 2 -3.734 -8.169 2.107 1.00 33.01 C ATOM 25 CG ASN A 2 -4.872 -9.175 2.094 1.00 33.44 C ATOM 26 OD1 ASN A 2 -6.070 -8.721 1.798 1.00 75.41 O flip ATOM 27 ND2 ASN A 2 -4.676 -10.361 2.338 1.00 32.31 N flip ATOM 0 H ASN A 2 -2.193 -9.854 0.837 1.00 1.31 H new ATOM 0 HA ASN A 2 -3.849 -7.548 0.045 1.00 54.32 H new ATOM 0 HB2 ASN A 2 -2.966 -8.507 2.803 1.00 33.01 H new ATOM 0 HB3 ASN A 2 -4.105 -7.215 2.481 1.00 33.01 H new ATOM 0 HD21 ASN A 2 -3.736 -10.687 2.565 1.00 32.31 H new ATOM 0 HD22 ASN A 2 -5.453 -11.022 2.314 1.00 32.31 H new ATOM 34 N LEU A 3 -2.127 -5.750 0.299 1.00 40.53 N ATOM 35 CA LEU A 3 -1.110 -4.688 0.369 1.00 52.33 C ATOM 36 C LEU A 3 -1.641 -3.447 1.101 1.00 24.04 C ATOM 37 O LEU A 3 -2.794 -3.049 0.921 1.00 60.10 O ATOM 38 CB LEU A 3 -0.632 -4.272 -1.037 1.00 51.31 C ATOM 39 CG LEU A 3 0.179 -5.317 -1.826 1.00 13.24 C ATOM 40 CD1 LEU A 3 1.297 -5.901 -0.967 1.00 54.04 C ATOM 41 CD2 LEU A 3 -0.724 -6.415 -2.380 1.00 73.25 C ATOM 0 H LEU A 3 -2.977 -5.481 -0.197 1.00 40.53 H new ATOM 0 HA LEU A 3 -0.269 -5.100 0.927 1.00 52.33 H new ATOM 0 HB2 LEU A 3 -1.507 -4.002 -1.628 1.00 51.31 H new ATOM 0 HB3 LEU A 3 -0.024 -3.373 -0.938 1.00 51.31 H new ATOM 0 HG LEU A 3 0.639 -4.812 -2.675 1.00 13.24 H new ATOM 0 HD11 LEU A 3 1.855 -6.636 -1.547 1.00 54.04 H new ATOM 0 HD12 LEU A 3 1.968 -5.102 -0.651 1.00 54.04 H new ATOM 0 HD13 LEU A 3 0.867 -6.382 -0.088 1.00 54.04 H new ATOM 0 HD21 LEU A 3 -0.122 -7.137 -2.932 1.00 73.25 H new ATOM 0 HD22 LEU A 3 -1.231 -6.919 -1.557 1.00 73.25 H new ATOM 0 HD23 LEU A 3 -1.465 -5.975 -3.048 1.00 73.25 H new ATOM 53 N THR A 4 -0.785 -2.828 1.909 1.00 45.43 N ATOM 54 CA THR A 4 -1.132 -1.584 2.602 1.00 14.43 C ATOM 55 C THR A 4 -0.727 -0.372 1.748 1.00 41.31 C ATOM 56 O THR A 4 0.287 0.282 2.000 1.00 31.32 O ATOM 57 CB THR A 4 -0.449 -1.505 3.992 1.00 61.20 C ATOM 58 OG1 THR A 4 -0.720 -2.699 4.738 1.00 21.41 O ATOM 59 CG2 THR A 4 -0.934 -0.297 4.788 1.00 3.31 C ATOM 0 H THR A 4 0.158 -3.166 2.103 1.00 45.43 H new ATOM 0 HA THR A 4 -2.211 -1.573 2.754 1.00 14.43 H new ATOM 0 HB THR A 4 0.623 -1.401 3.827 1.00 61.20 H new ATOM 0 HG1 THR A 4 -0.284 -2.643 5.614 1.00 21.41 H new ATOM 0 HG21 THR A 4 -0.434 -0.275 5.756 1.00 3.31 H new ATOM 0 HG22 THR A 4 -0.704 0.616 4.239 1.00 3.31 H new ATOM 0 HG23 THR A 4 -2.011 -0.369 4.938 1.00 3.31 H new ATOM 67 N VAL A 5 -1.525 -0.092 0.722 1.00 45.24 N ATOM 68 CA VAL A 5 -1.187 0.932 -0.275 1.00 25.03 C ATOM 69 C VAL A 5 -1.360 2.355 0.285 1.00 1.12 C ATOM 70 O VAL A 5 -2.481 2.811 0.515 1.00 74.12 O ATOM 71 CB VAL A 5 -2.049 0.767 -1.553 1.00 43.41 C ATOM 72 CG1 VAL A 5 -1.616 1.749 -2.640 1.00 42.24 C ATOM 73 CG2 VAL A 5 -1.978 -0.673 -2.063 1.00 64.10 C ATOM 0 H VAL A 5 -2.416 -0.560 0.554 1.00 45.24 H new ATOM 0 HA VAL A 5 -0.137 0.791 -0.530 1.00 25.03 H new ATOM 0 HB VAL A 5 -3.084 0.992 -1.295 1.00 43.41 H new ATOM 0 HG11 VAL A 5 -2.238 1.610 -3.524 1.00 42.24 H new ATOM 0 HG12 VAL A 5 -1.728 2.770 -2.274 1.00 42.24 H new ATOM 0 HG13 VAL A 5 -0.573 1.569 -2.898 1.00 42.24 H new ATOM 0 HG21 VAL A 5 -2.589 -0.772 -2.961 1.00 64.10 H new ATOM 0 HG22 VAL A 5 -0.944 -0.925 -2.298 1.00 64.10 H new ATOM 0 HG23 VAL A 5 -2.351 -1.350 -1.294 1.00 64.10 H new ATOM 83 N ASN A 6 -0.237 3.052 0.495 1.00 12.32 N ATOM 84 CA ASN A 6 -0.233 4.403 1.092 1.00 53.14 C ATOM 85 C ASN A 6 -0.870 4.404 2.494 1.00 61.01 C ATOM 86 O ASN A 6 -1.382 5.427 2.954 1.00 52.31 O ATOM 87 CB ASN A 6 -0.973 5.412 0.200 1.00 72.40 C ATOM 88 CG ASN A 6 -0.394 5.509 -1.198 1.00 51.34 C ATOM 89 OD1 ASN A 6 -1.012 4.832 -2.142 1.00 11.30 O flip ATOM 90 ND2 ASN A 6 0.584 6.209 -1.435 1.00 25.11 N flip ATOM 0 H ASN A 6 0.692 2.703 0.259 1.00 12.32 H new ATOM 0 HA ASN A 6 0.812 4.702 1.178 1.00 53.14 H new ATOM 0 HB2 ASN A 6 -2.023 5.126 0.133 1.00 72.40 H new ATOM 0 HB3 ASN A 6 -0.940 6.395 0.669 1.00 72.40 H new ATOM 0 HD21 ASN A 6 1.040 6.721 -0.680 1.00 25.11 H new ATOM 0 HD22 ASN A 6 0.942 6.279 -2.388 1.00 25.11 H new ATOM 97 N GLY A 7 -0.829 3.262 3.170 1.00 41.01 N ATOM 98 CA GLY A 7 -1.456 3.144 4.481 1.00 42.50 C ATOM 99 C GLY A 7 -2.889 2.615 4.419 1.00 22.23 C ATOM 100 O GLY A 7 -3.513 2.377 5.450 1.00 22.13 O ATOM 0 H GLY A 7 -0.373 2.413 2.837 1.00 41.01 H new ATOM 0 HA2 GLY A 7 -0.857 2.480 5.104 1.00 42.50 H new ATOM 0 HA3 GLY A 7 -1.457 4.121 4.965 1.00 42.50 H new ATOM 104 N LYS A 8 -3.414 2.426 3.206 1.00 12.34 N ATOM 105 CA LYS A 8 -4.790 1.937 3.013 1.00 23.13 C ATOM 106 C LYS A 8 -4.796 0.437 2.665 1.00 24.23 C ATOM 107 O LYS A 8 -3.966 -0.026 1.883 1.00 65.51 O ATOM 108 CB LYS A 8 -5.505 2.731 1.899 1.00 44.05 C ATOM 109 CG LYS A 8 -5.762 4.204 2.227 1.00 10.24 C ATOM 110 CD LYS A 8 -4.466 5.005 2.316 1.00 60.14 C ATOM 111 CE LYS A 8 -4.711 6.465 2.660 1.00 31.01 C ATOM 112 NZ LYS A 8 -3.433 7.195 2.876 1.00 23.31 N ATOM 0 H LYS A 8 -2.909 2.603 2.338 1.00 12.34 H new ATOM 0 HA LYS A 8 -5.326 2.084 3.951 1.00 23.13 H new ATOM 0 HB2 LYS A 8 -4.906 2.674 0.990 1.00 44.05 H new ATOM 0 HB3 LYS A 8 -6.459 2.249 1.683 1.00 44.05 H new ATOM 0 HG2 LYS A 8 -6.405 4.639 1.462 1.00 10.24 H new ATOM 0 HG3 LYS A 8 -6.299 4.276 3.173 1.00 10.24 H new ATOM 0 HD2 LYS A 8 -3.818 4.560 3.071 1.00 60.14 H new ATOM 0 HD3 LYS A 8 -3.937 4.942 1.365 1.00 60.14 H new ATOM 0 HE2 LYS A 8 -5.272 6.941 1.855 1.00 31.01 H new ATOM 0 HE3 LYS A 8 -5.325 6.530 3.558 1.00 31.01 H new ATOM 0 HZ1 LYS A 8 -3.334 7.431 3.884 1.00 23.31 H new ATOM 0 HZ2 LYS A 8 -2.636 6.595 2.581 1.00 23.31 H new ATOM 0 HZ3 LYS A 8 -3.434 8.070 2.314 1.00 23.31 H new ATOM 126 N PRO A 9 -5.741 -0.336 3.231 1.00 73.12 N ATOM 127 CA PRO A 9 -5.826 -1.787 2.990 1.00 21.45 C ATOM 128 C PRO A 9 -6.386 -2.134 1.598 1.00 44.54 C ATOM 129 O PRO A 9 -7.497 -1.737 1.238 1.00 34.22 O ATOM 130 CB PRO A 9 -6.771 -2.266 4.099 1.00 35.51 C ATOM 131 CG PRO A 9 -7.650 -1.092 4.376 1.00 41.21 C ATOM 132 CD PRO A 9 -6.800 0.135 4.148 1.00 74.11 C ATOM 0 HA PRO A 9 -4.845 -2.263 3.008 1.00 21.45 H new ATOM 0 HB2 PRO A 9 -7.353 -3.130 3.778 1.00 35.51 H new ATOM 0 HB3 PRO A 9 -6.218 -2.566 4.989 1.00 35.51 H new ATOM 0 HG2 PRO A 9 -8.518 -1.092 3.717 1.00 41.21 H new ATOM 0 HG3 PRO A 9 -8.026 -1.120 5.399 1.00 41.21 H new ATOM 0 HD2 PRO A 9 -7.379 0.947 3.707 1.00 74.11 H new ATOM 0 HD3 PRO A 9 -6.382 0.512 5.082 1.00 74.11 H new ATOM 140 N SER A 10 -5.599 -2.875 0.820 1.00 4.35 N ATOM 141 CA SER A 10 -6.004 -3.313 -0.526 1.00 22.33 C ATOM 142 C SER A 10 -5.697 -4.800 -0.722 1.00 53.21 C ATOM 143 O SER A 10 -4.824 -5.355 -0.056 1.00 50.23 O ATOM 144 CB SER A 10 -5.275 -2.486 -1.597 1.00 73.30 C ATOM 145 OG SER A 10 -5.682 -2.851 -2.910 1.00 51.12 O ATOM 0 H SER A 10 -4.669 -3.190 1.096 1.00 4.35 H new ATOM 0 HA SER A 10 -7.078 -3.159 -0.627 1.00 22.33 H new ATOM 0 HB2 SER A 10 -5.473 -1.426 -1.436 1.00 73.30 H new ATOM 0 HB3 SER A 10 -4.199 -2.628 -1.497 1.00 73.30 H new ATOM 0 HG SER A 10 -5.200 -2.305 -3.566 1.00 51.12 H new ATOM 151 N THR A 11 -6.404 -5.447 -1.643 1.00 34.03 N ATOM 152 CA THR A 11 -6.232 -6.888 -1.871 1.00 63.23 C ATOM 153 C THR A 11 -6.174 -7.218 -3.368 1.00 75.12 C ATOM 154 O THR A 11 -7.159 -7.046 -4.088 1.00 52.23 O ATOM 155 CB THR A 11 -7.388 -7.697 -1.233 1.00 32.22 C ATOM 156 OG1 THR A 11 -7.520 -7.363 0.157 1.00 24.41 O ATOM 157 CG2 THR A 11 -7.154 -9.201 -1.369 1.00 34.21 C ATOM 0 H THR A 11 -7.099 -5.004 -2.244 1.00 34.03 H new ATOM 0 HA THR A 11 -5.287 -7.166 -1.404 1.00 63.23 H new ATOM 0 HB THR A 11 -8.304 -7.437 -1.763 1.00 32.22 H new ATOM 0 HG1 THR A 11 -7.199 -8.109 0.705 1.00 24.41 H new ATOM 0 HG21 THR A 11 -7.983 -9.741 -0.911 1.00 34.21 H new ATOM 0 HG22 THR A 11 -7.088 -9.465 -2.424 1.00 34.21 H new ATOM 0 HG23 THR A 11 -6.224 -9.471 -0.868 1.00 34.21 H new ATOM 165 N VAL A 12 -5.017 -7.689 -3.839 1.00 22.13 N ATOM 166 CA VAL A 12 -4.878 -8.110 -5.236 1.00 13.10 C ATOM 167 C VAL A 12 -5.184 -9.613 -5.391 1.00 55.10 C ATOM 168 O VAL A 12 -4.426 -10.474 -4.931 1.00 11.02 O ATOM 169 CB VAL A 12 -3.471 -7.777 -5.805 1.00 41.41 C ATOM 170 CG1 VAL A 12 -3.258 -6.264 -5.866 1.00 42.13 C ATOM 171 CG2 VAL A 12 -2.372 -8.432 -4.978 1.00 31.25 C ATOM 0 H VAL A 12 -4.170 -7.788 -3.280 1.00 22.13 H new ATOM 0 HA VAL A 12 -5.608 -7.545 -5.816 1.00 13.10 H new ATOM 0 HB VAL A 12 -3.419 -8.179 -6.817 1.00 41.41 H new ATOM 0 HG11 VAL A 12 -2.267 -6.052 -6.267 1.00 42.13 H new ATOM 0 HG12 VAL A 12 -4.014 -5.816 -6.511 1.00 42.13 H new ATOM 0 HG13 VAL A 12 -3.341 -5.844 -4.864 1.00 42.13 H new ATOM 0 HG21 VAL A 12 -1.399 -8.180 -5.401 1.00 31.25 H new ATOM 0 HG22 VAL A 12 -2.425 -8.071 -3.951 1.00 31.25 H new ATOM 0 HG23 VAL A 12 -2.504 -9.514 -4.990 1.00 31.25 H new ATOM 181 N ASP A 13 -6.324 -9.914 -6.004 1.00 11.20 N ATOM 182 CA ASP A 13 -6.748 -11.296 -6.235 1.00 1.34 C ATOM 183 C ASP A 13 -6.088 -11.874 -7.497 1.00 10.02 C ATOM 184 O ASP A 13 -5.904 -11.170 -8.495 1.00 51.34 O ATOM 185 CB ASP A 13 -8.275 -11.353 -6.357 1.00 44.44 C ATOM 186 CG ASP A 13 -8.787 -12.758 -6.625 1.00 51.14 C ATOM 187 OD1 ASP A 13 -8.673 -13.619 -5.729 1.00 13.34 O ATOM 188 OD2 ASP A 13 -9.304 -13.011 -7.735 1.00 50.34 O ATOM 0 H ASP A 13 -6.978 -9.214 -6.354 1.00 11.20 H new ATOM 0 HA ASP A 13 -6.431 -11.902 -5.386 1.00 1.34 H new ATOM 0 HB2 ASP A 13 -8.724 -10.976 -5.438 1.00 44.44 H new ATOM 0 HB3 ASP A 13 -8.596 -10.693 -7.163 1.00 44.44 H new ATOM 193 N GLY A 14 -5.742 -13.157 -7.446 1.00 50.04 N ATOM 194 CA GLY A 14 -5.074 -13.810 -8.568 1.00 41.41 C ATOM 195 C GLY A 14 -3.552 -13.758 -8.463 1.00 55.33 C ATOM 196 O GLY A 14 -2.848 -13.901 -9.466 1.00 52.21 O ATOM 0 H GLY A 14 -5.912 -13.763 -6.644 1.00 50.04 H new ATOM 0 HA2 GLY A 14 -5.395 -14.851 -8.620 1.00 41.41 H new ATOM 0 HA3 GLY A 14 -5.386 -13.334 -9.498 1.00 41.41 H new ATOM 200 N ALA A 15 -3.041 -13.571 -7.244 1.00 50.43 N ATOM 201 CA ALA A 15 -1.597 -13.449 -7.018 1.00 64.54 C ATOM 202 C ALA A 15 -1.226 -13.609 -5.536 1.00 1.45 C ATOM 203 O ALA A 15 -1.888 -13.058 -4.651 1.00 33.40 O ATOM 204 CB ALA A 15 -1.099 -12.104 -7.539 1.00 72.21 C ATOM 0 H ALA A 15 -3.605 -13.501 -6.397 1.00 50.43 H new ATOM 0 HA ALA A 15 -1.112 -14.258 -7.565 1.00 64.54 H new ATOM 0 HB1 ALA A 15 -0.026 -12.022 -7.367 1.00 72.21 H new ATOM 0 HB2 ALA A 15 -1.302 -12.030 -8.607 1.00 72.21 H new ATOM 0 HB3 ALA A 15 -1.613 -11.298 -7.015 1.00 72.21 H new ATOM 210 N GLU A 16 -0.164 -14.367 -5.275 1.00 65.30 N ATOM 211 CA GLU A 16 0.365 -14.531 -3.916 1.00 45.41 C ATOM 212 C GLU A 16 1.586 -13.626 -3.694 1.00 30.13 C ATOM 213 O GLU A 16 1.747 -13.025 -2.629 1.00 44.11 O ATOM 214 CB GLU A 16 0.755 -15.993 -3.671 1.00 61.20 C ATOM 215 CG GLU A 16 -0.409 -16.972 -3.776 1.00 0.12 C ATOM 216 CD GLU A 16 0.031 -18.416 -3.606 1.00 31.25 C ATOM 217 OE1 GLU A 16 0.081 -18.901 -2.455 1.00 2.43 O ATOM 218 OE2 GLU A 16 0.336 -19.074 -4.625 1.00 63.50 O ATOM 0 H GLU A 16 0.352 -14.882 -5.988 1.00 65.30 H new ATOM 0 HA GLU A 16 -0.416 -14.244 -3.211 1.00 45.41 H new ATOM 0 HB2 GLU A 16 1.523 -16.279 -4.390 1.00 61.20 H new ATOM 0 HB3 GLU A 16 1.200 -16.078 -2.679 1.00 61.20 H new ATOM 0 HG2 GLU A 16 -1.153 -16.730 -3.017 1.00 0.12 H new ATOM 0 HG3 GLU A 16 -0.893 -16.854 -4.746 1.00 0.12 H new ATOM 225 N SER A 17 2.447 -13.544 -4.707 1.00 2.22 N ATOM 226 CA SER A 17 3.652 -12.707 -4.648 1.00 24.35 C ATOM 227 C SER A 17 4.247 -12.489 -6.045 1.00 44.02 C ATOM 228 O SER A 17 4.757 -13.423 -6.666 1.00 75.22 O ATOM 229 CB SER A 17 4.706 -13.340 -3.729 1.00 10.10 C ATOM 230 OG SER A 17 4.986 -14.682 -4.101 1.00 43.31 O ATOM 0 H SER A 17 2.334 -14.049 -5.586 1.00 2.22 H new ATOM 0 HA SER A 17 3.359 -11.739 -4.242 1.00 24.35 H new ATOM 0 HB2 SER A 17 5.623 -12.752 -3.767 1.00 10.10 H new ATOM 0 HB3 SER A 17 4.354 -13.314 -2.698 1.00 10.10 H new ATOM 0 HG SER A 17 5.026 -14.749 -5.078 1.00 43.31 H new ATOM 236 N LEU A 18 4.185 -11.250 -6.523 1.00 61.11 N ATOM 237 CA LEU A 18 4.700 -10.886 -7.852 1.00 53.24 C ATOM 238 C LEU A 18 5.636 -9.680 -7.753 1.00 23.01 C ATOM 239 O LEU A 18 5.598 -8.934 -6.776 1.00 60.22 O ATOM 240 CB LEU A 18 3.538 -10.545 -8.805 1.00 33.35 C ATOM 241 CG LEU A 18 2.639 -11.720 -9.225 1.00 61.43 C ATOM 242 CD1 LEU A 18 1.445 -11.219 -10.041 1.00 14.01 C ATOM 243 CD2 LEU A 18 3.441 -12.746 -10.021 1.00 51.42 C ATOM 0 H LEU A 18 3.780 -10.468 -6.008 1.00 61.11 H new ATOM 0 HA LEU A 18 5.252 -11.740 -8.244 1.00 53.24 H new ATOM 0 HB2 LEU A 18 2.914 -9.789 -8.328 1.00 33.35 H new ATOM 0 HB3 LEU A 18 3.954 -10.093 -9.705 1.00 33.35 H new ATOM 0 HG LEU A 18 2.259 -12.203 -8.325 1.00 61.43 H new ATOM 0 HD11 LEU A 18 0.821 -12.065 -10.329 1.00 14.01 H new ATOM 0 HD12 LEU A 18 0.859 -10.524 -9.440 1.00 14.01 H new ATOM 0 HD13 LEU A 18 1.804 -10.711 -10.936 1.00 14.01 H new ATOM 0 HD21 LEU A 18 2.790 -13.571 -10.311 1.00 51.42 H new ATOM 0 HD22 LEU A 18 3.849 -12.275 -10.915 1.00 51.42 H new ATOM 0 HD23 LEU A 18 4.257 -13.126 -9.407 1.00 51.42 H new ATOM 255 N ASN A 19 6.475 -9.485 -8.762 1.00 25.42 N ATOM 256 CA ASN A 19 7.300 -8.277 -8.836 1.00 71.01 C ATOM 257 C ASN A 19 6.435 -7.062 -9.204 1.00 50.45 C ATOM 258 O ASN A 19 5.311 -7.214 -9.691 1.00 41.41 O ATOM 259 CB ASN A 19 8.459 -8.459 -9.835 1.00 64.45 C ATOM 260 CG ASN A 19 8.003 -8.885 -11.220 1.00 44.35 C ATOM 261 OD1 ASN A 19 6.923 -8.536 -11.672 1.00 44.44 O ATOM 262 ND2 ASN A 19 8.828 -9.646 -11.905 1.00 13.12 N ATOM 0 H ASN A 19 6.605 -10.138 -9.535 1.00 25.42 H new ATOM 0 HA ASN A 19 7.739 -8.099 -7.854 1.00 71.01 H new ATOM 0 HB2 ASN A 19 9.010 -7.522 -9.915 1.00 64.45 H new ATOM 0 HB3 ASN A 19 9.152 -9.204 -9.444 1.00 64.45 H new ATOM 0 HD21 ASN A 19 8.573 -9.961 -12.841 1.00 13.12 H new ATOM 0 HD22 ASN A 19 9.723 -9.921 -11.501 1.00 13.12 H new ATOM 269 N VAL A 20 6.946 -5.858 -8.966 1.00 31.41 N ATOM 270 CA VAL A 20 6.162 -4.639 -9.204 1.00 2.34 C ATOM 271 C VAL A 20 5.723 -4.531 -10.675 1.00 1.15 C ATOM 272 O VAL A 20 4.628 -4.057 -10.971 1.00 12.54 O ATOM 273 CB VAL A 20 6.943 -3.360 -8.806 1.00 5.22 C ATOM 274 CG1 VAL A 20 6.055 -2.121 -8.917 1.00 45.54 C ATOM 275 CG2 VAL A 20 7.525 -3.487 -7.398 1.00 30.22 C ATOM 0 H VAL A 20 7.889 -5.695 -8.612 1.00 31.41 H new ATOM 0 HA VAL A 20 5.277 -4.716 -8.572 1.00 2.34 H new ATOM 0 HB VAL A 20 7.773 -3.245 -9.503 1.00 5.22 H new ATOM 0 HG11 VAL A 20 6.626 -1.237 -8.632 1.00 45.54 H new ATOM 0 HG12 VAL A 20 5.708 -2.013 -9.945 1.00 45.54 H new ATOM 0 HG13 VAL A 20 5.197 -2.228 -8.253 1.00 45.54 H new ATOM 0 HG21 VAL A 20 8.067 -2.576 -7.145 1.00 30.22 H new ATOM 0 HG22 VAL A 20 6.717 -3.639 -6.683 1.00 30.22 H new ATOM 0 HG23 VAL A 20 8.206 -4.337 -7.361 1.00 30.22 H new ATOM 285 N THR A 21 6.574 -4.994 -11.586 1.00 51.31 N ATOM 286 CA THR A 21 6.286 -4.943 -13.028 1.00 24.10 C ATOM 287 C THR A 21 5.014 -5.734 -13.386 1.00 52.33 C ATOM 288 O THR A 21 4.095 -5.201 -14.017 1.00 10.45 O ATOM 289 CB THR A 21 7.477 -5.490 -13.851 1.00 41.52 C ATOM 290 OG1 THR A 21 8.706 -4.956 -13.330 1.00 75.11 O ATOM 291 CG2 THR A 21 7.342 -5.119 -15.326 1.00 53.13 C ATOM 0 H THR A 21 7.475 -5.412 -11.356 1.00 51.31 H new ATOM 0 HA THR A 21 6.124 -3.895 -13.279 1.00 24.10 H new ATOM 0 HB THR A 21 7.481 -6.577 -13.770 1.00 41.52 H new ATOM 0 HG1 THR A 21 9.363 -4.882 -14.053 1.00 75.11 H new ATOM 0 HG21 THR A 21 8.192 -5.516 -15.880 1.00 53.13 H new ATOM 0 HG22 THR A 21 6.420 -5.542 -15.725 1.00 53.13 H new ATOM 0 HG23 THR A 21 7.317 -4.034 -15.428 1.00 53.13 H new ATOM 299 N GLU A 22 4.961 -7.005 -12.981 1.00 40.35 N ATOM 300 CA GLU A 22 3.764 -7.838 -13.188 1.00 35.33 C ATOM 301 C GLU A 22 2.563 -7.285 -12.412 1.00 72.24 C ATOM 302 O GLU A 22 1.421 -7.385 -12.862 1.00 63.01 O ATOM 303 CB GLU A 22 4.036 -9.298 -12.781 1.00 33.13 C ATOM 304 CG GLU A 22 4.825 -10.099 -13.817 1.00 42.22 C ATOM 305 CD GLU A 22 3.976 -10.523 -15.015 1.00 11.41 C ATOM 306 OE1 GLU A 22 3.542 -9.646 -15.790 1.00 72.20 O ATOM 307 OE2 GLU A 22 3.723 -11.740 -15.177 1.00 44.22 O ATOM 0 H GLU A 22 5.728 -7.483 -12.509 1.00 40.35 H new ATOM 0 HA GLU A 22 3.524 -7.812 -14.251 1.00 35.33 H new ATOM 0 HB2 GLU A 22 4.583 -9.305 -11.838 1.00 33.13 H new ATOM 0 HB3 GLU A 22 3.084 -9.797 -12.600 1.00 33.13 H new ATOM 0 HG2 GLU A 22 5.666 -9.501 -14.168 1.00 42.22 H new ATOM 0 HG3 GLU A 22 5.242 -10.987 -13.341 1.00 42.22 H new ATOM 314 N LEU A 23 2.825 -6.689 -11.249 1.00 15.51 N ATOM 315 CA LEU A 23 1.771 -6.034 -10.468 1.00 41.31 C ATOM 316 C LEU A 23 1.140 -4.895 -11.294 1.00 42.43 C ATOM 317 O LEU A 23 -0.083 -4.770 -11.369 1.00 12.20 O ATOM 318 CB LEU A 23 2.348 -5.511 -9.135 1.00 42.21 C ATOM 319 CG LEU A 23 1.323 -5.117 -8.044 1.00 1.24 C ATOM 320 CD1 LEU A 23 2.009 -4.992 -6.688 1.00 1.42 C ATOM 321 CD2 LEU A 23 0.606 -3.812 -8.388 1.00 51.31 C ATOM 0 H LEU A 23 3.753 -6.645 -10.827 1.00 15.51 H new ATOM 0 HA LEU A 23 0.989 -6.756 -10.233 1.00 41.31 H new ATOM 0 HB2 LEU A 23 3.005 -6.277 -8.724 1.00 42.21 H new ATOM 0 HB3 LEU A 23 2.968 -4.641 -9.350 1.00 42.21 H new ATOM 0 HG LEU A 23 0.576 -5.909 -7.997 1.00 1.24 H new ATOM 0 HD11 LEU A 23 1.274 -4.714 -5.933 1.00 1.42 H new ATOM 0 HD12 LEU A 23 2.462 -5.947 -6.420 1.00 1.42 H new ATOM 0 HD13 LEU A 23 2.782 -4.226 -6.741 1.00 1.42 H new ATOM 0 HD21 LEU A 23 -0.105 -3.569 -7.599 1.00 51.31 H new ATOM 0 HD22 LEU A 23 1.337 -3.008 -8.478 1.00 51.31 H new ATOM 0 HD23 LEU A 23 0.074 -3.927 -9.333 1.00 51.31 H new ATOM 333 N LEU A 24 1.988 -4.078 -11.926 1.00 65.53 N ATOM 334 CA LEU A 24 1.525 -2.995 -12.807 1.00 72.44 C ATOM 335 C LEU A 24 0.682 -3.547 -13.968 1.00 24.12 C ATOM 336 O LEU A 24 -0.323 -2.953 -14.359 1.00 41.53 O ATOM 337 CB LEU A 24 2.724 -2.212 -13.368 1.00 14.41 C ATOM 338 CG LEU A 24 3.605 -1.506 -12.324 1.00 25.14 C ATOM 339 CD1 LEU A 24 4.813 -0.858 -12.994 1.00 34.32 C ATOM 340 CD2 LEU A 24 2.797 -0.471 -11.546 1.00 72.44 C ATOM 0 H LEU A 24 3.003 -4.144 -11.845 1.00 65.53 H new ATOM 0 HA LEU A 24 0.902 -2.326 -12.213 1.00 72.44 H new ATOM 0 HB2 LEU A 24 3.349 -2.899 -13.939 1.00 14.41 H new ATOM 0 HB3 LEU A 24 2.351 -1.464 -14.068 1.00 14.41 H new ATOM 0 HG LEU A 24 3.966 -2.254 -11.618 1.00 25.14 H new ATOM 0 HD11 LEU A 24 5.425 -0.363 -12.240 1.00 34.32 H new ATOM 0 HD12 LEU A 24 5.404 -1.623 -13.496 1.00 34.32 H new ATOM 0 HD13 LEU A 24 4.473 -0.124 -13.725 1.00 34.32 H new ATOM 0 HD21 LEU A 24 3.440 0.016 -10.813 1.00 72.44 H new ATOM 0 HD22 LEU A 24 2.402 0.275 -12.235 1.00 72.44 H new ATOM 0 HD23 LEU A 24 1.971 -0.964 -11.033 1.00 72.44 H new ATOM 352 N SER A 25 1.106 -4.686 -14.514 1.00 43.13 N ATOM 353 CA SER A 25 0.374 -5.350 -15.605 1.00 75.21 C ATOM 354 C SER A 25 -0.954 -5.945 -15.110 1.00 64.43 C ATOM 355 O SER A 25 -1.938 -6.007 -15.849 1.00 3.12 O ATOM 356 CB SER A 25 1.239 -6.455 -16.230 1.00 43.20 C ATOM 357 OG SER A 25 0.548 -7.131 -17.272 1.00 63.41 O ATOM 0 H SER A 25 1.953 -5.173 -14.222 1.00 43.13 H new ATOM 0 HA SER A 25 0.148 -4.597 -16.360 1.00 75.21 H new ATOM 0 HB2 SER A 25 2.158 -6.020 -16.624 1.00 43.20 H new ATOM 0 HB3 SER A 25 1.529 -7.170 -15.460 1.00 43.20 H new ATOM 0 HG SER A 25 1.126 -7.827 -17.650 1.00 63.41 H new ATOM 363 N ALA A 26 -0.973 -6.385 -13.852 1.00 51.32 N ATOM 364 CA ALA A 26 -2.186 -6.939 -13.239 1.00 0.20 C ATOM 365 C ALA A 26 -3.232 -5.845 -12.973 1.00 34.11 C ATOM 366 O ALA A 26 -4.411 -6.003 -13.299 1.00 32.31 O ATOM 367 CB ALA A 26 -1.840 -7.666 -11.943 1.00 22.35 C ATOM 0 H ALA A 26 -0.162 -6.370 -13.234 1.00 51.32 H new ATOM 0 HA ALA A 26 -2.619 -7.651 -13.942 1.00 0.20 H new ATOM 0 HB1 ALA A 26 -2.749 -8.072 -11.499 1.00 22.35 H new ATOM 0 HB2 ALA A 26 -1.146 -8.479 -12.156 1.00 22.35 H new ATOM 0 HB3 ALA A 26 -1.377 -6.967 -11.246 1.00 22.35 H new ATOM 373 N LEU A 27 -2.789 -4.737 -12.381 1.00 10.30 N ATOM 374 CA LEU A 27 -3.670 -3.600 -12.083 1.00 32.34 C ATOM 375 C LEU A 27 -3.934 -2.750 -13.342 1.00 43.22 C ATOM 376 O LEU A 27 -4.909 -2.000 -13.404 1.00 72.32 O ATOM 377 CB LEU A 27 -3.039 -2.731 -10.984 1.00 73.22 C ATOM 378 CG LEU A 27 -3.894 -1.548 -10.493 1.00 61.11 C ATOM 379 CD1 LEU A 27 -5.198 -2.040 -9.864 1.00 21.11 C ATOM 380 CD2 LEU A 27 -3.109 -0.691 -9.507 1.00 2.44 C ATOM 0 H LEU A 27 -1.820 -4.599 -12.095 1.00 10.30 H new ATOM 0 HA LEU A 27 -4.627 -3.991 -11.736 1.00 32.34 H new ATOM 0 HB2 LEU A 27 -2.809 -3.368 -10.130 1.00 73.22 H new ATOM 0 HB3 LEU A 27 -2.091 -2.341 -11.355 1.00 73.22 H new ATOM 0 HG LEU A 27 -4.148 -0.932 -11.356 1.00 61.11 H new ATOM 0 HD11 LEU A 27 -5.784 -1.185 -9.525 1.00 21.11 H new ATOM 0 HD12 LEU A 27 -5.769 -2.601 -10.603 1.00 21.11 H new ATOM 0 HD13 LEU A 27 -4.972 -2.684 -9.014 1.00 21.11 H new ATOM 0 HD21 LEU A 27 -3.730 0.139 -9.172 1.00 2.44 H new ATOM 0 HD22 LEU A 27 -2.819 -1.297 -8.649 1.00 2.44 H new ATOM 0 HD23 LEU A 27 -2.215 -0.302 -9.995 1.00 2.44 H new ATOM 392 N LYS A 28 -3.055 -2.880 -14.336 1.00 30.04 N ATOM 393 CA LYS A 28 -3.148 -2.114 -15.591 1.00 45.01 C ATOM 394 C LYS A 28 -2.937 -0.608 -15.351 1.00 50.20 C ATOM 395 O LYS A 28 -3.884 0.183 -15.322 1.00 24.35 O ATOM 396 CB LYS A 28 -4.484 -2.374 -16.314 1.00 22.13 C ATOM 397 CG LYS A 28 -4.693 -3.836 -16.714 1.00 15.35 C ATOM 398 CD LYS A 28 -6.026 -4.047 -17.428 1.00 60.04 C ATOM 399 CE LYS A 28 -6.235 -5.506 -17.822 1.00 65.43 C ATOM 400 NZ LYS A 28 -6.206 -6.415 -16.645 1.00 50.04 N ATOM 0 H LYS A 28 -2.258 -3.516 -14.300 1.00 30.04 H new ATOM 0 HA LYS A 28 -2.345 -2.463 -16.240 1.00 45.01 H new ATOM 0 HB2 LYS A 28 -5.304 -2.063 -15.666 1.00 22.13 H new ATOM 0 HB3 LYS A 28 -4.530 -1.752 -17.208 1.00 22.13 H new ATOM 0 HG2 LYS A 28 -3.878 -4.154 -17.365 1.00 15.35 H new ATOM 0 HG3 LYS A 28 -4.654 -4.465 -15.824 1.00 15.35 H new ATOM 0 HD2 LYS A 28 -6.841 -3.726 -16.779 1.00 60.04 H new ATOM 0 HD3 LYS A 28 -6.063 -3.421 -18.320 1.00 60.04 H new ATOM 0 HE2 LYS A 28 -7.191 -5.609 -18.335 1.00 65.43 H new ATOM 0 HE3 LYS A 28 -5.461 -5.804 -18.529 1.00 65.43 H new ATOM 0 HZ1 LYS A 28 -6.566 -7.351 -16.920 1.00 50.04 H new ATOM 0 HZ2 LYS A 28 -5.229 -6.507 -16.302 1.00 50.04 H new ATOM 0 HZ3 LYS A 28 -6.803 -6.023 -15.889 1.00 50.04 H new ATOM 414 N VAL A 29 -1.675 -0.228 -15.154 1.00 62.43 N ATOM 415 CA VAL A 29 -1.304 1.174 -14.937 1.00 71.42 C ATOM 416 C VAL A 29 -0.838 1.827 -16.247 1.00 31.23 C ATOM 417 O VAL A 29 -0.235 1.168 -17.097 1.00 62.42 O ATOM 418 CB VAL A 29 -0.187 1.289 -13.867 1.00 2.21 C ATOM 419 CG1 VAL A 29 0.193 2.750 -13.616 1.00 3.00 C ATOM 420 CG2 VAL A 29 -0.626 0.615 -12.567 1.00 73.40 C ATOM 0 H VAL A 29 -0.886 -0.875 -15.140 1.00 62.43 H new ATOM 0 HA VAL A 29 -2.190 1.699 -14.580 1.00 71.42 H new ATOM 0 HB VAL A 29 0.698 0.777 -14.245 1.00 2.21 H new ATOM 0 HG11 VAL A 29 0.978 2.797 -12.861 1.00 3.00 H new ATOM 0 HG12 VAL A 29 0.553 3.197 -14.543 1.00 3.00 H new ATOM 0 HG13 VAL A 29 -0.681 3.298 -13.265 1.00 3.00 H new ATOM 0 HG21 VAL A 29 0.168 0.703 -11.825 1.00 73.40 H new ATOM 0 HG22 VAL A 29 -1.528 1.099 -12.193 1.00 73.40 H new ATOM 0 HG23 VAL A 29 -0.831 -0.439 -12.755 1.00 73.40 H new ATOM 430 N ALA A 30 -1.124 3.119 -16.412 1.00 4.03 N ATOM 431 CA ALA A 30 -0.768 3.843 -17.638 1.00 4.10 C ATOM 432 C ALA A 30 0.754 4.038 -17.777 1.00 52.44 C ATOM 433 O ALA A 30 1.361 3.596 -18.751 1.00 22.52 O ATOM 434 CB ALA A 30 -1.483 5.188 -17.671 1.00 72.42 C ATOM 0 H ALA A 30 -1.601 3.688 -15.713 1.00 4.03 H new ATOM 0 HA ALA A 30 -1.091 3.239 -18.485 1.00 4.10 H new ATOM 0 HB1 ALA A 30 -1.215 5.720 -18.583 1.00 72.42 H new ATOM 0 HB2 ALA A 30 -2.561 5.028 -17.648 1.00 72.42 H new ATOM 0 HB3 ALA A 30 -1.186 5.779 -16.805 1.00 72.42 H new ATOM 440 N GLN A 31 1.362 4.707 -16.799 1.00 24.33 N ATOM 441 CA GLN A 31 2.808 4.965 -16.818 1.00 44.11 C ATOM 442 C GLN A 31 3.582 3.939 -15.975 1.00 53.44 C ATOM 443 O GLN A 31 3.659 4.054 -14.752 1.00 73.31 O ATOM 444 CB GLN A 31 3.098 6.385 -16.312 1.00 0.51 C ATOM 445 CG GLN A 31 2.532 7.485 -17.198 1.00 25.12 C ATOM 446 CD GLN A 31 2.806 8.875 -16.651 1.00 12.15 C ATOM 447 OE1 GLN A 31 3.827 9.487 -16.952 1.00 1.42 O ATOM 448 NE2 GLN A 31 1.900 9.384 -15.837 1.00 74.11 N ATOM 0 H GLN A 31 0.880 5.082 -15.982 1.00 24.33 H new ATOM 0 HA GLN A 31 3.146 4.870 -17.850 1.00 44.11 H new ATOM 0 HB2 GLN A 31 2.687 6.493 -15.308 1.00 0.51 H new ATOM 0 HB3 GLN A 31 4.177 6.517 -16.230 1.00 0.51 H new ATOM 0 HG2 GLN A 31 2.962 7.400 -18.196 1.00 25.12 H new ATOM 0 HG3 GLN A 31 1.456 7.345 -17.302 1.00 25.12 H new ATOM 0 HE21 GLN A 31 1.063 8.849 -15.607 1.00 74.11 H new ATOM 0 HE22 GLN A 31 2.037 10.312 -15.438 1.00 74.11 H new ATOM 457 N ALA A 32 4.149 2.939 -16.639 1.00 43.33 N ATOM 458 CA ALA A 32 4.972 1.924 -15.969 1.00 33.32 C ATOM 459 C ALA A 32 6.437 2.380 -15.852 1.00 52.24 C ATOM 460 O ALA A 32 7.150 2.000 -14.924 1.00 35.34 O ATOM 461 CB ALA A 32 4.885 0.603 -16.724 1.00 51.25 C ATOM 0 H ALA A 32 4.057 2.804 -17.646 1.00 43.33 H new ATOM 0 HA ALA A 32 4.586 1.785 -14.959 1.00 33.32 H new ATOM 0 HB1 ALA A 32 5.498 -0.145 -16.221 1.00 51.25 H new ATOM 0 HB2 ALA A 32 3.849 0.266 -16.749 1.00 51.25 H new ATOM 0 HB3 ALA A 32 5.246 0.742 -17.743 1.00 51.25 H new ATOM 467 N GLU A 33 6.872 3.198 -16.808 1.00 22.12 N ATOM 468 CA GLU A 33 8.239 3.738 -16.819 1.00 40.23 C ATOM 469 C GLU A 33 8.386 4.925 -15.848 1.00 2.13 C ATOM 470 O GLU A 33 9.482 5.230 -15.382 1.00 64.41 O ATOM 471 CB GLU A 33 8.605 4.183 -18.248 1.00 24.23 C ATOM 472 CG GLU A 33 10.060 4.621 -18.427 1.00 24.24 C ATOM 473 CD GLU A 33 11.051 3.473 -18.277 1.00 2.02 C ATOM 474 OE1 GLU A 33 10.996 2.527 -19.098 1.00 15.32 O ATOM 475 OE2 GLU A 33 11.904 3.520 -17.369 1.00 74.41 O ATOM 0 H GLU A 33 6.297 3.506 -17.592 1.00 22.12 H new ATOM 0 HA GLU A 33 8.918 2.951 -16.490 1.00 40.23 H new ATOM 0 HB2 GLU A 33 8.400 3.361 -18.934 1.00 24.23 H new ATOM 0 HB3 GLU A 33 7.953 5.008 -18.535 1.00 24.23 H new ATOM 0 HG2 GLU A 33 10.180 5.070 -19.413 1.00 24.24 H new ATOM 0 HG3 GLU A 33 10.294 5.393 -17.694 1.00 24.24 H new ATOM 482 N TYR A 34 7.270 5.586 -15.540 1.00 51.51 N ATOM 483 CA TYR A 34 7.291 6.803 -14.710 1.00 33.25 C ATOM 484 C TYR A 34 6.621 6.583 -13.342 1.00 2.43 C ATOM 485 O TYR A 34 6.371 7.539 -12.608 1.00 53.24 O ATOM 486 CB TYR A 34 6.573 7.945 -15.445 1.00 3.33 C ATOM 487 CG TYR A 34 7.044 8.161 -16.872 1.00 24.01 C ATOM 488 CD1 TYR A 34 6.438 7.490 -17.930 1.00 23.43 C ATOM 489 CD2 TYR A 34 8.089 9.034 -17.163 1.00 72.44 C ATOM 490 CE1 TYR A 34 6.858 7.682 -19.229 1.00 41.30 C ATOM 491 CE2 TYR A 34 8.513 9.230 -18.464 1.00 43.24 C ATOM 492 CZ TYR A 34 7.893 8.549 -19.493 1.00 30.11 C ATOM 493 OH TYR A 34 8.304 8.741 -20.795 1.00 20.13 O ATOM 0 H TYR A 34 6.340 5.305 -15.849 1.00 51.51 H new ATOM 0 HA TYR A 34 8.336 7.060 -14.536 1.00 33.25 H new ATOM 0 HB2 TYR A 34 5.503 7.739 -15.455 1.00 3.33 H new ATOM 0 HB3 TYR A 34 6.715 8.869 -14.884 1.00 3.33 H new ATOM 0 HD1 TYR A 34 5.625 6.808 -17.730 1.00 23.43 H new ATOM 0 HD2 TYR A 34 8.576 9.566 -16.359 1.00 72.44 H new ATOM 0 HE1 TYR A 34 6.376 7.153 -20.038 1.00 41.30 H new ATOM 0 HE2 TYR A 34 9.324 9.911 -18.674 1.00 43.24 H new ATOM 0 HH TYR A 34 9.044 9.384 -20.813 1.00 20.13 H new ATOM 503 N VAL A 35 6.342 5.329 -12.996 1.00 35.14 N ATOM 504 CA VAL A 35 5.613 5.021 -11.757 1.00 20.30 C ATOM 505 C VAL A 35 6.507 5.166 -10.503 1.00 33.51 C ATOM 506 O VAL A 35 7.168 4.223 -10.063 1.00 34.35 O ATOM 507 CB VAL A 35 4.968 3.605 -11.819 1.00 12.25 C ATOM 508 CG1 VAL A 35 6.013 2.521 -12.066 1.00 4.30 C ATOM 509 CG2 VAL A 35 4.165 3.311 -10.553 1.00 50.04 C ATOM 0 H VAL A 35 6.605 4.512 -13.547 1.00 35.14 H new ATOM 0 HA VAL A 35 4.813 5.756 -11.670 1.00 20.30 H new ATOM 0 HB VAL A 35 4.281 3.597 -12.665 1.00 12.25 H new ATOM 0 HG11 VAL A 35 5.525 1.547 -12.103 1.00 4.30 H new ATOM 0 HG12 VAL A 35 6.517 2.711 -13.014 1.00 4.30 H new ATOM 0 HG13 VAL A 35 6.745 2.530 -11.258 1.00 4.30 H new ATOM 0 HG21 VAL A 35 3.726 2.316 -10.624 1.00 50.04 H new ATOM 0 HG22 VAL A 35 4.824 3.356 -9.686 1.00 50.04 H new ATOM 0 HG23 VAL A 35 3.372 4.051 -10.445 1.00 50.04 H new ATOM 519 N THR A 36 6.543 6.371 -9.945 1.00 15.22 N ATOM 520 CA THR A 36 7.331 6.642 -8.736 1.00 3.11 C ATOM 521 C THR A 36 6.643 6.098 -7.471 1.00 63.12 C ATOM 522 O THR A 36 5.760 6.741 -6.904 1.00 74.15 O ATOM 523 CB THR A 36 7.590 8.159 -8.554 1.00 74.11 C ATOM 524 OG1 THR A 36 8.237 8.695 -9.721 1.00 65.43 O ATOM 525 CG2 THR A 36 8.462 8.432 -7.329 1.00 14.44 C ATOM 0 H THR A 36 6.037 7.180 -10.307 1.00 15.22 H new ATOM 0 HA THR A 36 8.283 6.128 -8.871 1.00 3.11 H new ATOM 0 HB THR A 36 6.624 8.643 -8.410 1.00 74.11 H new ATOM 0 HG1 THR A 36 8.394 9.654 -9.596 1.00 65.43 H new ATOM 0 HG21 THR A 36 8.625 9.505 -7.230 1.00 14.44 H new ATOM 0 HG22 THR A 36 7.962 8.057 -6.436 1.00 14.44 H new ATOM 0 HG23 THR A 36 9.422 7.929 -7.446 1.00 14.44 H new ATOM 533 N VAL A 37 7.037 4.897 -7.052 1.00 0.32 N ATOM 534 CA VAL A 37 6.526 4.294 -5.812 1.00 21.10 C ATOM 535 C VAL A 37 7.670 4.009 -4.827 1.00 12.43 C ATOM 536 O VAL A 37 8.834 3.904 -5.223 1.00 2.31 O ATOM 537 CB VAL A 37 5.754 2.976 -6.088 1.00 23.45 C ATOM 538 CG1 VAL A 37 4.532 3.242 -6.964 1.00 15.22 C ATOM 539 CG2 VAL A 37 6.669 1.931 -6.729 1.00 60.34 C ATOM 0 H VAL A 37 7.711 4.317 -7.552 1.00 0.32 H new ATOM 0 HA VAL A 37 5.838 5.016 -5.373 1.00 21.10 H new ATOM 0 HB VAL A 37 5.408 2.578 -5.134 1.00 23.45 H new ATOM 0 HG11 VAL A 37 4.004 2.306 -7.146 1.00 15.22 H new ATOM 0 HG12 VAL A 37 3.867 3.941 -6.458 1.00 15.22 H new ATOM 0 HG13 VAL A 37 4.852 3.669 -7.914 1.00 15.22 H new ATOM 0 HG21 VAL A 37 6.105 1.017 -6.912 1.00 60.34 H new ATOM 0 HG22 VAL A 37 7.054 2.315 -7.673 1.00 60.34 H new ATOM 0 HG23 VAL A 37 7.501 1.715 -6.058 1.00 60.34 H new ATOM 549 N GLU A 38 7.341 3.889 -3.542 1.00 74.14 N ATOM 550 CA GLU A 38 8.358 3.614 -2.520 1.00 11.31 C ATOM 551 C GLU A 38 7.933 2.501 -1.547 1.00 42.23 C ATOM 552 O GLU A 38 6.806 2.469 -1.050 1.00 54.44 O ATOM 553 CB GLU A 38 8.734 4.903 -1.771 1.00 33.24 C ATOM 554 CG GLU A 38 7.570 5.656 -1.139 1.00 41.14 C ATOM 555 CD GLU A 38 7.996 7.028 -0.634 1.00 24.35 C ATOM 556 OE1 GLU A 38 8.530 7.119 0.494 1.00 22.53 O ATOM 557 OE2 GLU A 38 7.839 8.014 -1.382 1.00 22.03 O ATOM 0 H GLU A 38 6.390 3.976 -3.183 1.00 74.14 H new ATOM 0 HA GLU A 38 9.243 3.245 -3.037 1.00 11.31 H new ATOM 0 HB2 GLU A 38 9.450 4.652 -0.988 1.00 33.24 H new ATOM 0 HB3 GLU A 38 9.242 5.571 -2.466 1.00 33.24 H new ATOM 0 HG2 GLU A 38 6.770 5.770 -1.870 1.00 41.14 H new ATOM 0 HG3 GLU A 38 7.165 5.073 -0.312 1.00 41.14 H new ATOM 564 N LEU A 39 8.869 1.589 -1.293 1.00 73.22 N ATOM 565 CA LEU A 39 8.643 0.403 -0.458 1.00 72.41 C ATOM 566 C LEU A 39 8.680 0.773 1.038 1.00 43.22 C ATOM 567 O LEU A 39 9.750 1.007 1.596 1.00 65.12 O ATOM 568 CB LEU A 39 9.733 -0.644 -0.799 1.00 24.00 C ATOM 569 CG LEU A 39 9.418 -2.123 -0.496 1.00 14.05 C ATOM 570 CD1 LEU A 39 9.299 -2.382 0.999 1.00 51.54 C ATOM 571 CD2 LEU A 39 8.154 -2.560 -1.227 1.00 15.24 C ATOM 0 H LEU A 39 9.817 1.650 -1.664 1.00 73.22 H new ATOM 0 HA LEU A 39 7.656 -0.014 -0.661 1.00 72.41 H new ATOM 0 HB2 LEU A 39 9.960 -0.559 -1.862 1.00 24.00 H new ATOM 0 HB3 LEU A 39 10.639 -0.375 -0.257 1.00 24.00 H new ATOM 0 HG LEU A 39 10.254 -2.720 -0.860 1.00 14.05 H new ATOM 0 HD11 LEU A 39 9.077 -3.435 1.169 1.00 51.54 H new ATOM 0 HD12 LEU A 39 10.239 -2.126 1.489 1.00 51.54 H new ATOM 0 HD13 LEU A 39 8.496 -1.771 1.411 1.00 51.54 H new ATOM 0 HD21 LEU A 39 7.947 -3.606 -1.002 1.00 15.24 H new ATOM 0 HD22 LEU A 39 7.315 -1.946 -0.902 1.00 15.24 H new ATOM 0 HD23 LEU A 39 8.295 -2.441 -2.301 1.00 15.24 H new ATOM 583 N ASN A 40 7.503 0.860 1.669 1.00 54.13 N ATOM 584 CA ASN A 40 7.398 1.185 3.107 1.00 53.12 C ATOM 585 C ASN A 40 8.053 2.543 3.435 1.00 55.24 C ATOM 586 O ASN A 40 8.433 2.802 4.578 1.00 45.02 O ATOM 587 CB ASN A 40 8.033 0.076 3.975 1.00 4.21 C ATOM 588 CG ASN A 40 7.317 -1.263 3.872 1.00 11.42 C ATOM 589 OD1 ASN A 40 6.790 -1.582 2.707 1.00 74.31 O flip ATOM 590 ND2 ASN A 40 7.243 -2.017 4.835 1.00 70.43 N flip ATOM 0 H ASN A 40 6.605 0.710 1.210 1.00 54.13 H new ATOM 0 HA ASN A 40 6.335 1.253 3.340 1.00 53.12 H new ATOM 0 HB2 ASN A 40 9.074 -0.054 3.679 1.00 4.21 H new ATOM 0 HB3 ASN A 40 8.036 0.398 5.016 1.00 4.21 H new ATOM 0 HD21 ASN A 40 7.659 -1.748 5.727 1.00 70.43 H new ATOM 0 HD22 ASN A 40 6.766 -2.914 4.745 1.00 70.43 H new ATOM 597 N GLY A 41 8.144 3.418 2.437 1.00 51.23 N ATOM 598 CA GLY A 41 8.840 4.692 2.615 1.00 24.10 C ATOM 599 C GLY A 41 10.297 4.634 2.159 1.00 63.54 C ATOM 600 O GLY A 41 11.188 5.177 2.813 1.00 2.24 O ATOM 0 H GLY A 41 7.750 3.273 1.507 1.00 51.23 H new ATOM 0 HA2 GLY A 41 8.318 5.468 2.055 1.00 24.10 H new ATOM 0 HA3 GLY A 41 8.803 4.978 3.666 1.00 24.10 H new ATOM 604 N GLU A 42 10.535 3.960 1.037 1.00 52.33 N ATOM 605 CA GLU A 42 11.881 3.814 0.467 1.00 52.23 C ATOM 606 C GLU A 42 11.803 3.658 -1.063 1.00 61.23 C ATOM 607 O GLU A 42 11.391 2.613 -1.570 1.00 75.11 O ATOM 608 CB GLU A 42 12.581 2.599 1.097 1.00 4.42 C ATOM 609 CG GLU A 42 13.962 2.300 0.524 1.00 65.24 C ATOM 610 CD GLU A 42 14.570 1.036 1.109 1.00 74.23 C ATOM 611 OE1 GLU A 42 14.037 -0.058 0.841 1.00 45.32 O ATOM 612 OE2 GLU A 42 15.576 1.126 1.840 1.00 14.22 O ATOM 0 H GLU A 42 9.805 3.499 0.494 1.00 52.33 H new ATOM 0 HA GLU A 42 12.460 4.711 0.688 1.00 52.23 H new ATOM 0 HB2 GLU A 42 12.675 2.765 2.170 1.00 4.42 H new ATOM 0 HB3 GLU A 42 11.948 1.721 0.964 1.00 4.42 H new ATOM 0 HG2 GLU A 42 13.889 2.197 -0.559 1.00 65.24 H new ATOM 0 HG3 GLU A 42 14.624 3.143 0.720 1.00 65.24 H new ATOM 619 N VAL A 43 12.165 4.711 -1.793 1.00 32.24 N ATOM 620 CA VAL A 43 12.011 4.730 -3.258 1.00 71.31 C ATOM 621 C VAL A 43 12.857 3.647 -3.958 1.00 34.53 C ATOM 622 O VAL A 43 14.012 3.406 -3.592 1.00 75.11 O ATOM 623 CB VAL A 43 12.360 6.124 -3.840 1.00 71.02 C ATOM 624 CG1 VAL A 43 13.814 6.488 -3.555 1.00 72.25 C ATOM 625 CG2 VAL A 43 12.062 6.190 -5.341 1.00 32.02 C ATOM 0 H VAL A 43 12.567 5.563 -1.402 1.00 32.24 H new ATOM 0 HA VAL A 43 10.962 4.510 -3.455 1.00 71.31 H new ATOM 0 HB VAL A 43 11.726 6.858 -3.343 1.00 71.02 H new ATOM 0 HG11 VAL A 43 14.032 7.470 -3.974 1.00 72.25 H new ATOM 0 HG12 VAL A 43 13.980 6.508 -2.478 1.00 72.25 H new ATOM 0 HG13 VAL A 43 14.471 5.746 -4.009 1.00 72.25 H new ATOM 0 HG21 VAL A 43 12.317 7.180 -5.719 1.00 32.02 H new ATOM 0 HG22 VAL A 43 12.654 5.438 -5.863 1.00 32.02 H new ATOM 0 HG23 VAL A 43 11.002 5.999 -5.510 1.00 32.02 H new ATOM 635 N LEU A 44 12.267 2.995 -4.964 1.00 13.32 N ATOM 636 CA LEU A 44 12.947 1.924 -5.710 1.00 3.31 C ATOM 637 C LEU A 44 13.721 2.476 -6.921 1.00 54.12 C ATOM 638 O LEU A 44 13.388 3.531 -7.470 1.00 51.31 O ATOM 639 CB LEU A 44 11.937 0.860 -6.194 1.00 23.13 C ATOM 640 CG LEU A 44 11.224 0.040 -5.098 1.00 73.51 C ATOM 641 CD1 LEU A 44 12.232 -0.583 -4.136 1.00 61.21 C ATOM 642 CD2 LEU A 44 10.198 0.889 -4.345 1.00 34.53 C ATOM 0 H LEU A 44 11.318 3.188 -5.284 1.00 13.32 H new ATOM 0 HA LEU A 44 13.657 1.464 -5.023 1.00 3.31 H new ATOM 0 HB2 LEU A 44 11.177 1.359 -6.795 1.00 23.13 H new ATOM 0 HB3 LEU A 44 12.461 0.167 -6.853 1.00 23.13 H new ATOM 0 HG LEU A 44 10.685 -0.769 -5.590 1.00 73.51 H new ATOM 0 HD11 LEU A 44 11.702 -1.155 -3.374 1.00 61.21 H new ATOM 0 HD12 LEU A 44 12.900 -1.245 -4.687 1.00 61.21 H new ATOM 0 HD13 LEU A 44 12.814 0.205 -3.659 1.00 61.21 H new ATOM 0 HD21 LEU A 44 9.714 0.281 -3.580 1.00 34.53 H new ATOM 0 HD22 LEU A 44 10.700 1.733 -3.873 1.00 34.53 H new ATOM 0 HD23 LEU A 44 9.448 1.258 -5.044 1.00 34.53 H new ATOM 654 N GLU A 45 14.762 1.755 -7.328 1.00 74.34 N ATOM 655 CA GLU A 45 15.557 2.121 -8.506 1.00 55.25 C ATOM 656 C GLU A 45 14.850 1.704 -9.815 1.00 23.25 C ATOM 657 O GLU A 45 13.979 0.834 -9.805 1.00 61.43 O ATOM 658 CB GLU A 45 16.940 1.465 -8.406 1.00 14.24 C ATOM 659 CG GLU A 45 17.919 1.884 -9.497 1.00 40.45 C ATOM 660 CD GLU A 45 19.306 1.296 -9.293 1.00 70.13 C ATOM 661 OE1 GLU A 45 20.084 1.864 -8.497 1.00 22.23 O ATOM 662 OE2 GLU A 45 19.623 0.270 -9.928 1.00 22.41 O ATOM 0 H GLU A 45 15.080 0.907 -6.858 1.00 74.34 H new ATOM 0 HA GLU A 45 15.669 3.205 -8.530 1.00 55.25 H new ATOM 0 HB2 GLU A 45 17.373 1.706 -7.435 1.00 14.24 H new ATOM 0 HB3 GLU A 45 16.818 0.382 -8.441 1.00 14.24 H new ATOM 0 HG2 GLU A 45 17.534 1.569 -10.467 1.00 40.45 H new ATOM 0 HG3 GLU A 45 17.989 2.972 -9.520 1.00 40.45 H new ATOM 669 N ARG A 46 15.257 2.323 -10.929 1.00 74.44 N ATOM 670 CA ARG A 46 14.647 2.117 -12.261 1.00 0.43 C ATOM 671 C ARG A 46 14.207 0.660 -12.533 1.00 12.42 C ATOM 672 O ARG A 46 13.091 0.417 -12.991 1.00 71.01 O ATOM 673 CB ARG A 46 15.642 2.555 -13.354 1.00 61.23 C ATOM 674 CG ARG A 46 16.954 1.776 -13.325 1.00 22.21 C ATOM 675 CD ARG A 46 17.876 2.137 -14.484 1.00 40.01 C ATOM 676 NE ARG A 46 19.060 1.283 -14.508 1.00 53.01 N ATOM 677 CZ ARG A 46 19.971 1.302 -15.441 1.00 14.02 C ATOM 678 NH1 ARG A 46 19.893 2.130 -16.436 1.00 60.22 N ATOM 679 NH2 ARG A 46 20.962 0.479 -15.377 1.00 24.22 N ATOM 0 H ARG A 46 16.028 2.991 -10.938 1.00 74.44 H new ATOM 0 HA ARG A 46 13.742 2.724 -12.279 1.00 0.43 H new ATOM 0 HB2 ARG A 46 15.175 2.430 -14.331 1.00 61.23 H new ATOM 0 HB3 ARG A 46 15.856 3.617 -13.236 1.00 61.23 H new ATOM 0 HG2 ARG A 46 17.467 1.971 -12.383 1.00 22.21 H new ATOM 0 HG3 ARG A 46 16.739 0.708 -13.356 1.00 22.21 H new ATOM 0 HD2 ARG A 46 17.335 2.039 -15.425 1.00 40.01 H new ATOM 0 HD3 ARG A 46 18.180 3.180 -14.398 1.00 40.01 H new ATOM 0 HE ARG A 46 19.184 0.624 -13.739 1.00 53.01 H new ATOM 0 HH11 ARG A 46 19.110 2.781 -16.498 1.00 60.22 H new ATOM 0 HH12 ARG A 46 20.615 2.131 -17.157 1.00 60.22 H new ATOM 0 HH21 ARG A 46 21.029 -0.180 -14.601 1.00 24.22 H new ATOM 0 HH22 ARG A 46 21.679 0.487 -16.102 1.00 24.22 H new ATOM 693 N GLU A 47 15.083 -0.305 -12.259 1.00 3.03 N ATOM 694 CA GLU A 47 14.807 -1.713 -12.583 1.00 53.30 C ATOM 695 C GLU A 47 14.507 -2.552 -11.329 1.00 41.22 C ATOM 696 O GLU A 47 14.238 -3.750 -11.422 1.00 13.44 O ATOM 697 CB GLU A 47 15.987 -2.306 -13.362 1.00 61.12 C ATOM 698 CG GLU A 47 17.309 -2.298 -12.600 1.00 52.23 C ATOM 699 CD GLU A 47 18.471 -2.789 -13.451 1.00 32.21 C ATOM 700 OE1 GLU A 47 18.575 -4.013 -13.668 1.00 52.34 O ATOM 701 OE2 GLU A 47 19.281 -1.954 -13.907 1.00 74.41 O ATOM 0 H GLU A 47 15.987 -0.144 -11.816 1.00 3.03 H new ATOM 0 HA GLU A 47 13.911 -1.742 -13.203 1.00 53.30 H new ATOM 0 HB2 GLU A 47 15.746 -3.333 -13.638 1.00 61.12 H new ATOM 0 HB3 GLU A 47 16.112 -1.748 -14.290 1.00 61.12 H new ATOM 0 HG2 GLU A 47 17.519 -1.287 -12.252 1.00 52.23 H new ATOM 0 HG3 GLU A 47 17.219 -2.927 -11.715 1.00 52.23 H new ATOM 708 N ALA A 48 14.526 -1.911 -10.161 1.00 52.41 N ATOM 709 CA ALA A 48 14.236 -2.598 -8.893 1.00 74.04 C ATOM 710 C ALA A 48 12.784 -3.100 -8.850 1.00 60.55 C ATOM 711 O ALA A 48 12.442 -3.978 -8.061 1.00 11.10 O ATOM 712 CB ALA A 48 14.513 -1.675 -7.711 1.00 13.52 C ATOM 0 H ALA A 48 14.738 -0.918 -10.061 1.00 52.41 H new ATOM 0 HA ALA A 48 14.894 -3.464 -8.824 1.00 74.04 H new ATOM 0 HB1 ALA A 48 14.293 -2.199 -6.781 1.00 13.52 H new ATOM 0 HB2 ALA A 48 15.561 -1.376 -7.720 1.00 13.52 H new ATOM 0 HB3 ALA A 48 13.883 -0.789 -7.786 1.00 13.52 H new ATOM 718 N PHE A 49 11.942 -2.535 -9.714 1.00 60.24 N ATOM 719 CA PHE A 49 10.537 -2.941 -9.830 1.00 15.03 C ATOM 720 C PHE A 49 10.410 -4.434 -10.187 1.00 62.22 C ATOM 721 O PHE A 49 9.562 -5.147 -9.646 1.00 51.43 O ATOM 722 CB PHE A 49 9.835 -2.086 -10.895 1.00 53.55 C ATOM 723 CG PHE A 49 9.813 -0.608 -10.576 1.00 43.54 C ATOM 724 CD1 PHE A 49 10.934 0.181 -10.784 1.00 32.14 C ATOM 725 CD2 PHE A 49 8.668 -0.011 -10.068 1.00 41.50 C ATOM 726 CE1 PHE A 49 10.914 1.534 -10.492 1.00 12.50 C ATOM 727 CE2 PHE A 49 8.644 1.339 -9.775 1.00 43.41 C ATOM 728 CZ PHE A 49 9.767 2.111 -9.986 1.00 13.32 C ATOM 0 H PHE A 49 12.210 -1.786 -10.352 1.00 60.24 H new ATOM 0 HA PHE A 49 10.059 -2.786 -8.863 1.00 15.03 H new ATOM 0 HB2 PHE A 49 10.334 -2.234 -11.853 1.00 53.55 H new ATOM 0 HB3 PHE A 49 8.810 -2.438 -11.012 1.00 53.55 H new ATOM 0 HD1 PHE A 49 11.834 -0.266 -11.179 1.00 32.14 H new ATOM 0 HD2 PHE A 49 7.785 -0.609 -9.900 1.00 41.50 H new ATOM 0 HE1 PHE A 49 11.794 2.137 -10.660 1.00 12.50 H new ATOM 0 HE2 PHE A 49 7.745 1.790 -9.381 1.00 43.41 H new ATOM 0 HZ PHE A 49 9.749 3.166 -9.756 1.00 13.32 H new ATOM 738 N ASP A 50 11.268 -4.895 -11.095 1.00 62.41 N ATOM 739 CA ASP A 50 11.268 -6.296 -11.529 1.00 55.45 C ATOM 740 C ASP A 50 12.041 -7.183 -10.531 1.00 32.53 C ATOM 741 O ASP A 50 11.705 -8.351 -10.325 1.00 74.11 O ATOM 742 CB ASP A 50 11.888 -6.396 -12.932 1.00 73.50 C ATOM 743 CG ASP A 50 11.757 -7.780 -13.549 1.00 3.45 C ATOM 744 OD1 ASP A 50 12.597 -8.654 -13.254 1.00 2.52 O ATOM 745 OD2 ASP A 50 10.830 -7.995 -14.360 1.00 55.20 O ATOM 0 H ASP A 50 11.976 -4.318 -11.548 1.00 62.41 H new ATOM 0 HA ASP A 50 10.239 -6.655 -11.563 1.00 55.45 H new ATOM 0 HB2 ASP A 50 11.410 -5.667 -13.586 1.00 73.50 H new ATOM 0 HB3 ASP A 50 12.943 -6.129 -12.875 1.00 73.50 H new ATOM 750 N ALA A 51 13.068 -6.612 -9.903 1.00 61.14 N ATOM 751 CA ALA A 51 13.925 -7.350 -8.964 1.00 61.24 C ATOM 752 C ALA A 51 13.303 -7.475 -7.558 1.00 1.55 C ATOM 753 O ALA A 51 13.712 -8.324 -6.761 1.00 74.31 O ATOM 754 CB ALA A 51 15.292 -6.679 -8.881 1.00 64.52 C ATOM 0 H ALA A 51 13.331 -5.634 -10.026 1.00 61.14 H new ATOM 0 HA ALA A 51 14.031 -8.364 -9.349 1.00 61.24 H new ATOM 0 HB1 ALA A 51 15.925 -7.228 -8.184 1.00 64.52 H new ATOM 0 HB2 ALA A 51 15.756 -6.675 -9.867 1.00 64.52 H new ATOM 0 HB3 ALA A 51 15.173 -5.653 -8.532 1.00 64.52 H new ATOM 760 N THR A 52 12.326 -6.624 -7.248 1.00 61.44 N ATOM 761 CA THR A 52 11.652 -6.656 -5.940 1.00 24.23 C ATOM 762 C THR A 52 10.343 -7.456 -5.998 1.00 25.02 C ATOM 763 O THR A 52 9.441 -7.136 -6.772 1.00 10.23 O ATOM 764 CB THR A 52 11.348 -5.228 -5.419 1.00 11.42 C ATOM 765 OG1 THR A 52 12.577 -4.513 -5.216 1.00 74.14 O ATOM 766 CG2 THR A 52 10.559 -5.257 -4.111 1.00 31.30 C ATOM 0 H THR A 52 11.980 -5.903 -7.881 1.00 61.44 H new ATOM 0 HA THR A 52 12.340 -7.147 -5.252 1.00 24.23 H new ATOM 0 HB THR A 52 10.740 -4.725 -6.171 1.00 11.42 H new ATOM 0 HG1 THR A 52 12.892 -4.154 -6.072 1.00 74.14 H new ATOM 0 HG21 THR A 52 10.366 -4.237 -3.780 1.00 31.30 H new ATOM 0 HG22 THR A 52 9.611 -5.772 -4.269 1.00 31.30 H new ATOM 0 HG23 THR A 52 11.135 -5.783 -3.350 1.00 31.30 H new ATOM 774 N THR A 53 10.243 -8.489 -5.165 1.00 24.13 N ATOM 775 CA THR A 53 9.051 -9.345 -5.125 1.00 13.42 C ATOM 776 C THR A 53 8.036 -8.837 -4.090 1.00 74.25 C ATOM 777 O THR A 53 8.249 -8.963 -2.884 1.00 73.21 O ATOM 778 CB THR A 53 9.420 -10.813 -4.787 1.00 62.12 C ATOM 779 OG1 THR A 53 10.385 -11.315 -5.727 1.00 42.32 O ATOM 780 CG2 THR A 53 8.185 -11.711 -4.800 1.00 13.15 C ATOM 0 H THR A 53 10.973 -8.757 -4.505 1.00 24.13 H new ATOM 0 HA THR A 53 8.604 -9.307 -6.118 1.00 13.42 H new ATOM 0 HB THR A 53 9.848 -10.824 -3.784 1.00 62.12 H new ATOM 0 HG1 THR A 53 10.610 -12.242 -5.501 1.00 42.32 H new ATOM 0 HG21 THR A 53 8.476 -12.734 -4.559 1.00 13.15 H new ATOM 0 HG22 THR A 53 7.468 -11.354 -4.061 1.00 13.15 H new ATOM 0 HG23 THR A 53 7.728 -11.687 -5.789 1.00 13.15 H new ATOM 788 N VAL A 54 6.938 -8.255 -4.568 1.00 3.13 N ATOM 789 CA VAL A 54 5.874 -7.757 -3.686 1.00 54.11 C ATOM 790 C VAL A 54 5.048 -8.920 -3.107 1.00 64.10 C ATOM 791 O VAL A 54 4.377 -9.651 -3.843 1.00 32.24 O ATOM 792 CB VAL A 54 4.929 -6.781 -4.436 1.00 55.10 C ATOM 793 CG1 VAL A 54 3.865 -6.218 -3.496 1.00 4.34 C ATOM 794 CG2 VAL A 54 5.727 -5.654 -5.086 1.00 33.20 C ATOM 0 H VAL A 54 6.758 -8.115 -5.562 1.00 3.13 H new ATOM 0 HA VAL A 54 6.359 -7.221 -2.871 1.00 54.11 H new ATOM 0 HB VAL A 54 4.421 -7.339 -5.222 1.00 55.10 H new ATOM 0 HG11 VAL A 54 3.216 -5.537 -4.047 1.00 4.34 H new ATOM 0 HG12 VAL A 54 3.270 -7.035 -3.088 1.00 4.34 H new ATOM 0 HG13 VAL A 54 4.348 -5.679 -2.681 1.00 4.34 H new ATOM 0 HG21 VAL A 54 5.047 -4.980 -5.607 1.00 33.20 H new ATOM 0 HG22 VAL A 54 6.268 -5.101 -4.318 1.00 33.20 H new ATOM 0 HG23 VAL A 54 6.437 -6.075 -5.798 1.00 33.20 H new ATOM 804 N LYS A 55 5.106 -9.089 -1.788 1.00 23.05 N ATOM 805 CA LYS A 55 4.412 -10.187 -1.108 1.00 41.55 C ATOM 806 C LYS A 55 3.258 -9.671 -0.227 1.00 11.52 C ATOM 807 O LYS A 55 2.855 -8.515 -0.330 1.00 74.32 O ATOM 808 CB LYS A 55 5.415 -10.984 -0.264 1.00 13.23 C ATOM 809 CG LYS A 55 6.570 -11.575 -1.069 1.00 4.25 C ATOM 810 CD LYS A 55 7.457 -12.487 -0.220 1.00 75.22 C ATOM 811 CE LYS A 55 8.605 -13.076 -1.033 1.00 4.50 C ATOM 812 NZ LYS A 55 9.377 -14.096 -0.271 1.00 55.35 N ATOM 0 H LYS A 55 5.630 -8.476 -1.163 1.00 23.05 H new ATOM 0 HA LYS A 55 3.976 -10.837 -1.866 1.00 41.55 H new ATOM 0 HB2 LYS A 55 5.821 -10.333 0.511 1.00 13.23 H new ATOM 0 HB3 LYS A 55 4.887 -11.792 0.243 1.00 13.23 H new ATOM 0 HG2 LYS A 55 6.172 -12.140 -1.912 1.00 4.25 H new ATOM 0 HG3 LYS A 55 7.173 -10.767 -1.483 1.00 4.25 H new ATOM 0 HD2 LYS A 55 7.859 -11.922 0.621 1.00 75.22 H new ATOM 0 HD3 LYS A 55 6.855 -13.294 0.197 1.00 75.22 H new ATOM 0 HE2 LYS A 55 8.208 -13.529 -1.941 1.00 4.50 H new ATOM 0 HE3 LYS A 55 9.275 -12.274 -1.343 1.00 4.50 H new ATOM 0 HZ1 LYS A 55 10.145 -14.466 -0.866 1.00 55.35 H new ATOM 0 HZ2 LYS A 55 9.780 -13.660 0.583 1.00 55.35 H new ATOM 0 HZ3 LYS A 55 8.746 -14.876 0.003 1.00 55.35 H new ATOM 826 N ASP A 56 2.724 -10.538 0.633 1.00 62.11 N ATOM 827 CA ASP A 56 1.595 -10.177 1.499 1.00 23.21 C ATOM 828 C ASP A 56 2.047 -9.341 2.715 1.00 41.13 C ATOM 829 O ASP A 56 3.027 -9.676 3.384 1.00 74.11 O ATOM 830 CB ASP A 56 0.879 -11.451 1.970 1.00 11.45 C ATOM 831 CG ASP A 56 -0.380 -11.147 2.763 1.00 73.24 C ATOM 832 OD1 ASP A 56 -0.295 -11.003 4.003 1.00 31.01 O ATOM 833 OD2 ASP A 56 -1.460 -11.044 2.150 1.00 33.25 O ATOM 0 H ASP A 56 3.053 -11.496 0.751 1.00 62.11 H new ATOM 0 HA ASP A 56 0.909 -9.562 0.917 1.00 23.21 H new ATOM 0 HB2 ASP A 56 0.622 -12.061 1.104 1.00 11.45 H new ATOM 0 HB3 ASP A 56 1.559 -12.041 2.585 1.00 11.45 H new ATOM 838 N GLY A 57 1.320 -8.255 2.994 1.00 23.12 N ATOM 839 CA GLY A 57 1.608 -7.427 4.163 1.00 3.32 C ATOM 840 C GLY A 57 2.739 -6.425 3.941 1.00 43.42 C ATOM 841 O GLY A 57 3.609 -6.257 4.803 1.00 20.13 O ATOM 0 H GLY A 57 0.534 -7.933 2.430 1.00 23.12 H new ATOM 0 HA2 GLY A 57 0.705 -6.886 4.445 1.00 3.32 H new ATOM 0 HA3 GLY A 57 1.867 -8.074 5.001 1.00 3.32 H new ATOM 845 N ASP A 58 2.735 -5.759 2.787 1.00 2.24 N ATOM 846 CA ASP A 58 3.745 -4.744 2.475 1.00 31.10 C ATOM 847 C ASP A 58 3.098 -3.358 2.325 1.00 15.24 C ATOM 848 O ASP A 58 2.006 -3.229 1.762 1.00 31.33 O ATOM 849 CB ASP A 58 4.489 -5.128 1.190 1.00 3.24 C ATOM 850 CG ASP A 58 5.793 -4.364 1.029 1.00 55.01 C ATOM 851 OD1 ASP A 58 5.741 -3.141 0.800 1.00 74.05 O ATOM 852 OD2 ASP A 58 6.870 -4.985 1.159 1.00 22.32 O ATOM 0 H ASP A 58 2.044 -5.903 2.051 1.00 2.24 H new ATOM 0 HA ASP A 58 4.457 -4.697 3.299 1.00 31.10 H new ATOM 0 HB2 ASP A 58 4.696 -6.198 1.199 1.00 3.24 H new ATOM 0 HB3 ASP A 58 3.848 -4.934 0.330 1.00 3.24 H new ATOM 857 N ALA A 59 3.768 -2.321 2.825 1.00 61.11 N ATOM 858 CA ALA A 59 3.234 -0.957 2.765 1.00 11.24 C ATOM 859 C ALA A 59 3.803 -0.177 1.567 1.00 12.44 C ATOM 860 O ALA A 59 4.665 0.694 1.721 1.00 52.43 O ATOM 861 CB ALA A 59 3.505 -0.219 4.075 1.00 2.24 C ATOM 0 H ALA A 59 4.680 -2.397 3.276 1.00 61.11 H new ATOM 0 HA ALA A 59 2.156 -1.028 2.623 1.00 11.24 H new ATOM 0 HB1 ALA A 59 3.102 0.792 4.013 1.00 2.24 H new ATOM 0 HB2 ALA A 59 3.027 -0.751 4.898 1.00 2.24 H new ATOM 0 HB3 ALA A 59 4.580 -0.171 4.250 1.00 2.24 H new ATOM 867 N VAL A 60 3.328 -0.508 0.368 1.00 73.32 N ATOM 868 CA VAL A 60 3.759 0.184 -0.852 1.00 21.02 C ATOM 869 C VAL A 60 2.982 1.498 -1.056 1.00 1.51 C ATOM 870 O VAL A 60 1.748 1.522 -1.057 1.00 64.51 O ATOM 871 CB VAL A 60 3.605 -0.714 -2.113 1.00 71.23 C ATOM 872 CG1 VAL A 60 4.496 -1.950 -2.010 1.00 61.54 C ATOM 873 CG2 VAL A 60 2.147 -1.115 -2.343 1.00 31.41 C ATOM 0 H VAL A 60 2.645 -1.250 0.212 1.00 73.32 H new ATOM 0 HA VAL A 60 4.816 0.415 -0.721 1.00 21.02 H new ATOM 0 HB VAL A 60 3.926 -0.129 -2.975 1.00 71.23 H new ATOM 0 HG11 VAL A 60 4.372 -2.563 -2.903 1.00 61.54 H new ATOM 0 HG12 VAL A 60 5.538 -1.641 -1.924 1.00 61.54 H new ATOM 0 HG13 VAL A 60 4.215 -2.529 -1.130 1.00 61.54 H new ATOM 0 HG21 VAL A 60 2.078 -1.742 -3.232 1.00 31.41 H new ATOM 0 HG22 VAL A 60 1.782 -1.670 -1.479 1.00 31.41 H new ATOM 0 HG23 VAL A 60 1.541 -0.220 -2.482 1.00 31.41 H new ATOM 883 N GLU A 61 3.707 2.599 -1.205 1.00 43.01 N ATOM 884 CA GLU A 61 3.081 3.901 -1.447 1.00 52.54 C ATOM 885 C GLU A 61 2.953 4.183 -2.949 1.00 5.34 C ATOM 886 O GLU A 61 3.923 4.537 -3.620 1.00 70.55 O ATOM 887 CB GLU A 61 3.868 5.008 -0.739 1.00 32.12 C ATOM 888 CG GLU A 61 3.720 4.956 0.778 1.00 32.54 C ATOM 889 CD GLU A 61 4.663 5.893 1.511 1.00 15.34 C ATOM 890 OE1 GLU A 61 4.376 7.109 1.582 1.00 15.12 O ATOM 891 OE2 GLU A 61 5.688 5.413 2.034 1.00 3.14 O ATOM 0 H GLU A 61 4.726 2.621 -1.163 1.00 43.01 H new ATOM 0 HA GLU A 61 2.073 3.880 -1.033 1.00 52.54 H new ATOM 0 HB2 GLU A 61 4.923 4.923 -1.000 1.00 32.12 H new ATOM 0 HB3 GLU A 61 3.528 5.978 -1.100 1.00 32.12 H new ATOM 0 HG2 GLU A 61 2.693 5.206 1.044 1.00 32.54 H new ATOM 0 HG3 GLU A 61 3.898 3.936 1.118 1.00 32.54 H new ATOM 898 N PHE A 62 1.743 3.987 -3.467 1.00 64.14 N ATOM 899 CA PHE A 62 1.439 4.197 -4.887 1.00 33.03 C ATOM 900 C PHE A 62 0.668 5.519 -5.059 1.00 71.12 C ATOM 901 O PHE A 62 -0.542 5.567 -4.829 1.00 40.54 O ATOM 902 CB PHE A 62 0.599 3.009 -5.396 1.00 61.34 C ATOM 903 CG PHE A 62 0.647 2.787 -6.888 1.00 42.22 C ATOM 904 CD1 PHE A 62 -0.007 3.642 -7.762 1.00 12.21 C ATOM 905 CD2 PHE A 62 1.344 1.707 -7.407 1.00 63.12 C ATOM 906 CE1 PHE A 62 0.038 3.421 -9.127 1.00 23.22 C ATOM 907 CE2 PHE A 62 1.391 1.485 -8.766 1.00 3.34 C ATOM 908 CZ PHE A 62 0.737 2.343 -9.628 1.00 2.43 C ATOM 0 H PHE A 62 0.942 3.678 -2.916 1.00 64.14 H new ATOM 0 HA PHE A 62 2.361 4.258 -5.465 1.00 33.03 H new ATOM 0 HB2 PHE A 62 0.941 2.102 -4.898 1.00 61.34 H new ATOM 0 HB3 PHE A 62 -0.439 3.164 -5.100 1.00 61.34 H new ATOM 0 HD1 PHE A 62 -0.556 4.487 -7.374 1.00 12.21 H new ATOM 0 HD2 PHE A 62 1.856 1.031 -6.738 1.00 63.12 H new ATOM 0 HE1 PHE A 62 -0.474 4.093 -9.800 1.00 23.22 H new ATOM 0 HE2 PHE A 62 1.939 0.640 -9.157 1.00 3.34 H new ATOM 0 HZ PHE A 62 0.773 2.170 -10.693 1.00 2.43 H new ATOM 918 N LEU A 63 1.357 6.589 -5.460 1.00 22.15 N ATOM 919 CA LEU A 63 0.770 7.937 -5.398 1.00 11.31 C ATOM 920 C LEU A 63 0.810 8.675 -6.746 1.00 1.04 C ATOM 921 O LEU A 63 1.810 8.646 -7.455 1.00 54.21 O ATOM 922 CB LEU A 63 1.466 8.788 -4.313 1.00 74.34 C ATOM 923 CG LEU A 63 2.988 9.027 -4.482 1.00 42.11 C ATOM 924 CD1 LEU A 63 3.435 10.231 -3.654 1.00 21.32 C ATOM 925 CD2 LEU A 63 3.794 7.789 -4.077 1.00 33.32 C ATOM 0 H LEU A 63 2.308 6.555 -5.827 1.00 22.15 H new ATOM 0 HA LEU A 63 -0.280 7.799 -5.138 1.00 11.31 H new ATOM 0 HB2 LEU A 63 0.972 9.759 -4.274 1.00 74.34 H new ATOM 0 HB3 LEU A 63 1.303 8.308 -3.348 1.00 74.34 H new ATOM 0 HG LEU A 63 3.176 9.228 -5.537 1.00 42.11 H new ATOM 0 HD11 LEU A 63 4.506 10.385 -3.784 1.00 21.32 H new ATOM 0 HD12 LEU A 63 2.898 11.120 -3.985 1.00 21.32 H new ATOM 0 HD13 LEU A 63 3.220 10.049 -2.601 1.00 21.32 H new ATOM 0 HD21 LEU A 63 4.858 7.989 -4.207 1.00 33.32 H new ATOM 0 HD22 LEU A 63 3.595 7.551 -3.032 1.00 33.32 H new ATOM 0 HD23 LEU A 63 3.504 6.945 -4.703 1.00 33.32 H new