USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 625 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -101:sc= 0.102 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -150:sc= -0.874 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0558 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -114:sc= 0.666 (180deg=-0.615) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 79:sc= -1.32 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00515) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 46 MET CE :methyl 140:sc= -2.08 (180deg=-2.96!) USER MOD Single : A 47 ASN : amide:sc= -0.581 K(o=-0.58,f=-0.026) USER MOD Single : A 55 ASN : amide:sc= -0.513 X(o=-0.51,f=-0.049) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.49 K(o=-0.49,f=-1.3!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 128:sc= 0.139 USER MOD Single : A 68 GLN : amide:sc= -4.62! K(o=-4.6!,f=-1.1) USER MOD Single : A 69 GLN : amide:sc= -0.0186 K(o=-0.019,f=-1.4) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.220 -3.210 9.461 1.00 0.00 N ATOM 2 CA ALA A 1 -6.790 -4.092 8.383 1.00 71.14 C ATOM 3 C ALA A 1 -6.391 -5.462 8.920 1.00 35.43 C ATOM 4 O ALA A 1 -6.228 -5.644 10.127 1.00 53.11 O ATOM 5 CB ALA A 1 -5.635 -3.466 7.617 1.00 62.14 C ATOM 0 H1 ALA A 1 -8.259 -3.170 9.484 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.868 -3.574 10.369 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.841 -2.255 9.300 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.630 -4.229 7.702 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -5.325 -4.136 6.815 1.00 62.14 H new ATOM 0 HB2 ALA A 1 -5.954 -2.514 7.192 1.00 62.14 H new ATOM 0 HB3 ALA A 1 -4.798 -3.298 8.294 1.00 62.14 H new ATOM 11 N LYS A 2 -6.235 -6.425 8.018 1.00 74.42 N ATOM 12 CA LYS A 2 -5.854 -7.779 8.400 1.00 61.12 C ATOM 13 C LYS A 2 -4.468 -8.126 7.866 1.00 71.13 C ATOM 14 O LYS A 2 -4.018 -7.564 6.867 1.00 31.20 O ATOM 15 CB LYS A 2 -6.881 -8.786 7.877 1.00 24.43 C ATOM 16 CG LYS A 2 -7.276 -8.557 6.429 1.00 4.14 C ATOM 17 CD LYS A 2 -8.547 -7.732 6.321 1.00 23.34 C ATOM 18 CE LYS A 2 -9.787 -8.612 6.360 1.00 70.31 C ATOM 19 NZ LYS A 2 -10.943 -7.915 6.988 1.00 51.13 N ATOM 0 H LYS A 2 -6.367 -6.292 7.015 1.00 74.42 H new ATOM 0 HA LYS A 2 -5.827 -7.829 9.489 1.00 61.12 H new ATOM 0 HB2 LYS A 2 -6.475 -9.792 7.979 1.00 24.43 H new ATOM 0 HB3 LYS A 2 -7.774 -8.738 8.500 1.00 24.43 H new ATOM 0 HG2 LYS A 2 -6.466 -8.049 5.906 1.00 4.14 H new ATOM 0 HG3 LYS A 2 -7.422 -9.517 5.934 1.00 4.14 H new ATOM 0 HD2 LYS A 2 -8.585 -7.011 7.138 1.00 23.34 H new ATOM 0 HD3 LYS A 2 -8.534 -7.161 5.393 1.00 23.34 H new ATOM 0 HE2 LYS A 2 -10.051 -8.912 5.346 1.00 70.31 H new ATOM 0 HE3 LYS A 2 -9.568 -9.524 6.915 1.00 70.31 H new ATOM 0 HZ1 LYS A 2 -11.768 -8.548 6.995 1.00 51.13 H new ATOM 0 HZ2 LYS A 2 -10.701 -7.651 7.964 1.00 51.13 H new ATOM 0 HZ3 LYS A 2 -11.169 -7.058 6.444 1.00 51.13 H new ATOM 33 N LYS A 3 -3.796 -9.056 8.536 1.00 34.44 N ATOM 34 CA LYS A 3 -2.462 -9.480 8.128 1.00 33.33 C ATOM 35 C LYS A 3 -2.454 -9.914 6.666 1.00 4.21 C ATOM 36 O LYS A 3 -1.451 -9.759 5.970 1.00 61.43 O ATOM 37 CB LYS A 3 -1.977 -10.628 9.015 1.00 71.42 C ATOM 38 CG LYS A 3 -2.963 -11.779 9.115 1.00 72.23 C ATOM 39 CD LYS A 3 -3.397 -12.020 10.552 1.00 41.22 C ATOM 40 CE LYS A 3 -2.463 -12.989 11.261 1.00 54.04 C ATOM 41 NZ LYS A 3 -2.779 -14.406 10.927 1.00 50.54 N ATOM 0 H LYS A 3 -4.154 -9.531 9.365 1.00 34.44 H new ATOM 0 HA LYS A 3 -1.787 -8.632 8.241 1.00 33.33 H new ATOM 0 HB2 LYS A 3 -1.032 -11.004 8.624 1.00 71.42 H new ATOM 0 HB3 LYS A 3 -1.778 -10.244 10.015 1.00 71.42 H new ATOM 0 HG2 LYS A 3 -3.838 -11.564 8.501 1.00 72.23 H new ATOM 0 HG3 LYS A 3 -2.508 -12.685 8.715 1.00 72.23 H new ATOM 0 HD2 LYS A 3 -3.418 -11.073 11.091 1.00 41.22 H new ATOM 0 HD3 LYS A 3 -4.412 -12.416 10.565 1.00 41.22 H new ATOM 0 HE2 LYS A 3 -1.432 -12.771 10.981 1.00 54.04 H new ATOM 0 HE3 LYS A 3 -2.538 -12.844 12.339 1.00 54.04 H new ATOM 0 HZ1 LYS A 3 -2.121 -15.036 11.429 1.00 50.54 H new ATOM 0 HZ2 LYS A 3 -3.754 -14.622 11.217 1.00 50.54 H new ATOM 0 HZ3 LYS A 3 -2.682 -14.551 9.902 1.00 50.54 H new ATOM 55 N GLU A 4 -3.578 -10.457 6.208 1.00 44.51 N ATOM 56 CA GLU A 4 -3.697 -10.912 4.827 1.00 11.02 C ATOM 57 C GLU A 4 -3.618 -9.736 3.858 1.00 61.24 C ATOM 58 O GLU A 4 -2.906 -9.790 2.855 1.00 4.01 O ATOM 59 CB GLU A 4 -5.014 -11.665 4.628 1.00 73.14 C ATOM 60 CG GLU A 4 -5.144 -12.906 5.495 1.00 14.44 C ATOM 61 CD GLU A 4 -4.240 -14.034 5.037 1.00 74.20 C ATOM 62 OE1 GLU A 4 -4.167 -14.278 3.815 1.00 75.34 O ATOM 63 OE2 GLU A 4 -3.606 -14.674 5.902 1.00 23.23 O ATOM 0 H GLU A 4 -4.417 -10.592 6.771 1.00 44.51 H new ATOM 0 HA GLU A 4 -2.866 -11.586 4.620 1.00 11.02 H new ATOM 0 HB2 GLU A 4 -5.844 -10.992 4.845 1.00 73.14 H new ATOM 0 HB3 GLU A 4 -5.103 -11.953 3.581 1.00 73.14 H new ATOM 0 HG2 GLU A 4 -4.905 -12.650 6.527 1.00 14.44 H new ATOM 0 HG3 GLU A 4 -6.179 -13.247 5.482 1.00 14.44 H new ATOM 70 N THR A 5 -4.357 -8.675 4.164 1.00 54.42 N ATOM 71 CA THR A 5 -4.373 -7.486 3.320 1.00 3.44 C ATOM 72 C THR A 5 -2.991 -6.848 3.242 1.00 23.44 C ATOM 73 O THR A 5 -2.568 -6.387 2.182 1.00 51.42 O ATOM 74 CB THR A 5 -5.379 -6.441 3.840 1.00 70.54 C ATOM 75 OG1 THR A 5 -6.698 -7.001 3.860 1.00 54.41 O ATOM 76 CG2 THR A 5 -5.364 -5.196 2.967 1.00 34.14 C ATOM 0 H THR A 5 -4.952 -8.614 4.990 1.00 54.42 H new ATOM 0 HA THR A 5 -4.678 -7.810 2.325 1.00 3.44 H new ATOM 0 HB THR A 5 -5.088 -6.159 4.852 1.00 70.54 H new ATOM 0 HG1 THR A 5 -7.357 -6.290 3.717 1.00 54.41 H new ATOM 0 HG21 THR A 5 -6.082 -4.472 3.353 1.00 34.14 H new ATOM 0 HG22 THR A 5 -4.366 -4.757 2.976 1.00 34.14 H new ATOM 0 HG23 THR A 5 -5.633 -5.465 1.946 1.00 34.14 H new ATOM 84 N ILE A 6 -2.290 -6.825 4.372 1.00 54.22 N ATOM 85 CA ILE A 6 -0.955 -6.245 4.430 1.00 11.44 C ATOM 86 C ILE A 6 -0.003 -6.957 3.474 1.00 34.45 C ATOM 87 O ILE A 6 0.829 -6.325 2.824 1.00 33.04 O ATOM 88 CB ILE A 6 -0.375 -6.308 5.856 1.00 12.10 C ATOM 89 CG1 ILE A 6 -1.303 -5.591 6.839 1.00 15.30 C ATOM 90 CG2 ILE A 6 1.017 -5.694 5.890 1.00 60.34 C ATOM 91 CD1 ILE A 6 -1.018 -5.919 8.288 1.00 42.43 C ATOM 0 H ILE A 6 -2.625 -7.201 5.259 1.00 54.22 H new ATOM 0 HA ILE A 6 -1.052 -5.201 4.131 1.00 11.44 H new ATOM 0 HB ILE A 6 -0.297 -7.353 6.155 1.00 12.10 H new ATOM 0 HG12 ILE A 6 -1.211 -4.515 6.694 1.00 15.30 H new ATOM 0 HG13 ILE A 6 -2.335 -5.856 6.611 1.00 15.30 H new ATOM 0 HG21 ILE A 6 1.413 -5.746 6.904 1.00 60.34 H new ATOM 0 HG22 ILE A 6 1.674 -6.243 5.215 1.00 60.34 H new ATOM 0 HG23 ILE A 6 0.963 -4.652 5.575 1.00 60.34 H new ATOM 0 HD11 ILE A 6 -1.713 -5.376 8.928 1.00 42.43 H new ATOM 0 HD12 ILE A 6 -1.138 -6.990 8.449 1.00 42.43 H new ATOM 0 HD13 ILE A 6 0.003 -5.628 8.533 1.00 42.43 H new ATOM 103 N ASP A 7 -0.133 -8.277 3.395 1.00 71.13 N ATOM 104 CA ASP A 7 0.712 -9.077 2.516 1.00 11.44 C ATOM 105 C ASP A 7 0.469 -8.719 1.054 1.00 51.13 C ATOM 106 O ASP A 7 1.398 -8.689 0.247 1.00 63.03 O ATOM 107 CB ASP A 7 0.452 -10.568 2.740 1.00 12.43 C ATOM 108 CG ASP A 7 1.673 -11.418 2.449 1.00 25.51 C ATOM 109 OD1 ASP A 7 2.797 -10.970 2.761 1.00 62.43 O ATOM 110 OD2 ASP A 7 1.504 -12.532 1.911 1.00 61.21 O ATOM 0 H ASP A 7 -0.815 -8.815 3.929 1.00 71.13 H new ATOM 0 HA ASP A 7 1.752 -8.858 2.756 1.00 11.44 H new ATOM 0 HB2 ASP A 7 0.139 -10.728 3.772 1.00 12.43 H new ATOM 0 HB3 ASP A 7 -0.372 -10.890 2.103 1.00 12.43 H new ATOM 115 N LYS A 8 -0.788 -8.449 0.718 1.00 52.20 N ATOM 116 CA LYS A 8 -1.155 -8.093 -0.648 1.00 34.31 C ATOM 117 C LYS A 8 -0.525 -6.764 -1.052 1.00 12.22 C ATOM 118 O LYS A 8 0.172 -6.679 -2.063 1.00 12.14 O ATOM 119 CB LYS A 8 -2.678 -8.009 -0.782 1.00 71.00 C ATOM 120 CG LYS A 8 -3.408 -9.197 -0.180 1.00 12.34 C ATOM 121 CD LYS A 8 -4.643 -9.560 -0.987 1.00 32.21 C ATOM 122 CE LYS A 8 -4.272 -10.189 -2.321 1.00 35.13 C ATOM 123 NZ LYS A 8 -4.164 -11.670 -2.226 1.00 24.34 N ATOM 0 H LYS A 8 -1.570 -8.470 1.373 1.00 52.20 H new ATOM 0 HA LYS A 8 -0.779 -8.870 -1.313 1.00 34.31 H new ATOM 0 HB2 LYS A 8 -3.027 -7.096 -0.299 1.00 71.00 H new ATOM 0 HB3 LYS A 8 -2.938 -7.931 -1.838 1.00 71.00 H new ATOM 0 HG2 LYS A 8 -2.736 -10.054 -0.136 1.00 12.34 H new ATOM 0 HG3 LYS A 8 -3.697 -8.966 0.845 1.00 12.34 H new ATOM 0 HD2 LYS A 8 -5.261 -10.253 -0.416 1.00 32.21 H new ATOM 0 HD3 LYS A 8 -5.242 -8.666 -1.159 1.00 32.21 H new ATOM 0 HE2 LYS A 8 -5.022 -9.927 -3.067 1.00 35.13 H new ATOM 0 HE3 LYS A 8 -3.323 -9.777 -2.665 1.00 35.13 H new ATOM 0 HZ1 LYS A 8 -3.910 -12.060 -3.156 1.00 24.34 H new ATOM 0 HZ2 LYS A 8 -3.430 -11.921 -1.533 1.00 24.34 H new ATOM 0 HZ3 LYS A 8 -5.077 -12.066 -1.923 1.00 24.34 H new ATOM 137 N VAL A 9 -0.775 -5.729 -0.256 1.00 41.12 N ATOM 138 CA VAL A 9 -0.228 -4.405 -0.530 1.00 74.25 C ATOM 139 C VAL A 9 1.295 -4.433 -0.553 1.00 30.24 C ATOM 140 O VAL A 9 1.919 -4.016 -1.527 1.00 42.45 O ATOM 141 CB VAL A 9 -0.697 -3.378 0.517 1.00 14.21 C ATOM 142 CG1 VAL A 9 -0.242 -1.978 0.134 1.00 51.24 C ATOM 143 CG2 VAL A 9 -2.209 -3.430 0.675 1.00 33.31 C ATOM 0 H VAL A 9 -1.352 -5.782 0.583 1.00 41.12 H new ATOM 0 HA VAL A 9 -0.596 -4.107 -1.512 1.00 74.25 H new ATOM 0 HB VAL A 9 -0.245 -3.632 1.476 1.00 14.21 H new ATOM 0 HG11 VAL A 9 -0.583 -1.266 0.886 1.00 51.24 H new ATOM 0 HG12 VAL A 9 0.846 -1.952 0.077 1.00 51.24 H new ATOM 0 HG13 VAL A 9 -0.663 -1.711 -0.835 1.00 51.24 H new ATOM 0 HG21 VAL A 9 -2.522 -2.698 1.419 1.00 33.31 H new ATOM 0 HG22 VAL A 9 -2.683 -3.203 -0.280 1.00 33.31 H new ATOM 0 HG23 VAL A 9 -2.507 -4.427 1.000 1.00 33.31 H new ATOM 153 N SER A 10 1.888 -4.927 0.530 1.00 45.34 N ATOM 154 CA SER A 10 3.341 -5.006 0.636 1.00 52.15 C ATOM 155 C SER A 10 3.933 -5.750 -0.558 1.00 41.31 C ATOM 156 O SER A 10 4.988 -5.379 -1.073 1.00 35.01 O ATOM 157 CB SER A 10 3.741 -5.705 1.936 1.00 63.42 C ATOM 158 OG SER A 10 3.680 -7.115 1.796 1.00 32.55 O ATOM 0 H SER A 10 1.386 -5.278 1.345 1.00 45.34 H new ATOM 0 HA SER A 10 3.736 -3.990 0.642 1.00 52.15 H new ATOM 0 HB2 SER A 10 4.751 -5.407 2.217 1.00 63.42 H new ATOM 0 HB3 SER A 10 3.080 -5.387 2.742 1.00 63.42 H new ATOM 0 HG SER A 10 3.941 -7.539 2.640 1.00 32.55 H new ATOM 164 N ASP A 11 3.246 -6.801 -0.992 1.00 5.15 N ATOM 165 CA ASP A 11 3.703 -7.597 -2.125 1.00 72.01 C ATOM 166 C ASP A 11 3.872 -6.727 -3.367 1.00 60.35 C ATOM 167 O ASP A 11 4.861 -6.848 -4.091 1.00 33.41 O ATOM 168 CB ASP A 11 2.714 -8.729 -2.411 1.00 44.44 C ATOM 169 CG ASP A 11 3.128 -10.036 -1.765 1.00 2.45 C ATOM 170 OD1 ASP A 11 4.347 -10.296 -1.682 1.00 44.05 O ATOM 171 OD2 ASP A 11 2.234 -10.799 -1.342 1.00 65.10 O ATOM 0 H ASP A 11 2.371 -7.121 -0.577 1.00 5.15 H new ATOM 0 HA ASP A 11 4.672 -8.026 -1.870 1.00 72.01 H new ATOM 0 HB2 ASP A 11 1.726 -8.445 -2.048 1.00 44.44 H new ATOM 0 HB3 ASP A 11 2.630 -8.870 -3.489 1.00 44.44 H new ATOM 176 N ILE A 12 2.901 -5.853 -3.607 1.00 53.45 N ATOM 177 CA ILE A 12 2.944 -4.963 -4.762 1.00 71.51 C ATOM 178 C ILE A 12 3.936 -3.826 -4.543 1.00 44.52 C ATOM 179 O ILE A 12 4.753 -3.526 -5.413 1.00 41.24 O ATOM 180 CB ILE A 12 1.556 -4.367 -5.065 1.00 65.23 C ATOM 181 CG1 ILE A 12 0.546 -5.484 -5.337 1.00 51.35 C ATOM 182 CG2 ILE A 12 1.636 -3.417 -6.250 1.00 35.14 C ATOM 183 CD1 ILE A 12 -0.803 -5.249 -4.694 1.00 5.23 C ATOM 0 H ILE A 12 2.075 -5.742 -3.018 1.00 53.45 H new ATOM 0 HA ILE A 12 3.266 -5.564 -5.612 1.00 71.51 H new ATOM 0 HB ILE A 12 1.220 -3.804 -4.195 1.00 65.23 H new ATOM 0 HG12 ILE A 12 0.413 -5.588 -6.414 1.00 51.35 H new ATOM 0 HG13 ILE A 12 0.953 -6.427 -4.973 1.00 51.35 H new ATOM 0 HG21 ILE A 12 0.648 -3.004 -6.452 1.00 35.14 H new ATOM 0 HG22 ILE A 12 2.328 -2.607 -6.021 1.00 35.14 H new ATOM 0 HG23 ILE A 12 1.989 -3.959 -7.127 1.00 35.14 H new ATOM 0 HD11 ILE A 12 -1.468 -6.080 -4.929 1.00 5.23 H new ATOM 0 HD12 ILE A 12 -0.683 -5.175 -3.613 1.00 5.23 H new ATOM 0 HD13 ILE A 12 -1.232 -4.322 -5.076 1.00 5.23 H new ATOM 195 N VAL A 13 3.860 -3.198 -3.374 1.00 72.35 N ATOM 196 CA VAL A 13 4.754 -2.096 -3.040 1.00 33.02 C ATOM 197 C VAL A 13 6.213 -2.522 -3.141 1.00 2.20 C ATOM 198 O VAL A 13 6.992 -1.938 -3.895 1.00 42.45 O ATOM 199 CB VAL A 13 4.482 -1.565 -1.619 1.00 50.14 C ATOM 200 CG1 VAL A 13 5.298 -0.309 -1.354 1.00 25.24 C ATOM 201 CG2 VAL A 13 2.997 -1.296 -1.427 1.00 22.42 C ATOM 0 H VAL A 13 3.189 -3.433 -2.643 1.00 72.35 H new ATOM 0 HA VAL A 13 4.561 -1.301 -3.761 1.00 33.02 H new ATOM 0 HB VAL A 13 4.786 -2.326 -0.900 1.00 50.14 H new ATOM 0 HG11 VAL A 13 5.093 0.052 -0.346 1.00 25.24 H new ATOM 0 HG12 VAL A 13 6.359 -0.538 -1.449 1.00 25.24 H new ATOM 0 HG13 VAL A 13 5.027 0.460 -2.077 1.00 25.24 H new ATOM 0 HG21 VAL A 13 2.822 -0.922 -0.418 1.00 22.42 H new ATOM 0 HG22 VAL A 13 2.665 -0.553 -2.152 1.00 22.42 H new ATOM 0 HG23 VAL A 13 2.438 -2.220 -1.573 1.00 22.42 H new ATOM 211 N LYS A 14 6.580 -3.544 -2.376 1.00 24.01 N ATOM 212 CA LYS A 14 7.947 -4.052 -2.379 1.00 35.25 C ATOM 213 C LYS A 14 8.401 -4.382 -3.797 1.00 12.04 C ATOM 214 O LYS A 14 9.580 -4.256 -4.125 1.00 44.11 O ATOM 215 CB LYS A 14 8.053 -5.297 -1.495 1.00 1.13 C ATOM 216 CG LYS A 14 7.434 -6.537 -2.115 1.00 10.12 C ATOM 217 CD LYS A 14 7.179 -7.613 -1.073 1.00 40.12 C ATOM 218 CE LYS A 14 8.471 -8.063 -0.408 1.00 51.00 C ATOM 219 NZ LYS A 14 8.365 -9.447 0.132 1.00 55.42 N ATOM 0 H LYS A 14 5.949 -4.038 -1.745 1.00 24.01 H new ATOM 0 HA LYS A 14 8.598 -3.274 -1.979 1.00 35.25 H new ATOM 0 HB2 LYS A 14 9.104 -5.493 -1.283 1.00 1.13 H new ATOM 0 HB3 LYS A 14 7.567 -5.097 -0.540 1.00 1.13 H new ATOM 0 HG2 LYS A 14 6.496 -6.272 -2.602 1.00 10.12 H new ATOM 0 HG3 LYS A 14 8.096 -6.927 -2.888 1.00 10.12 H new ATOM 0 HD2 LYS A 14 6.493 -7.233 -0.316 1.00 40.12 H new ATOM 0 HD3 LYS A 14 6.694 -8.468 -1.543 1.00 40.12 H new ATOM 0 HE2 LYS A 14 9.286 -8.017 -1.130 1.00 51.00 H new ATOM 0 HE3 LYS A 14 8.722 -7.376 0.400 1.00 51.00 H new ATOM 0 HZ1 LYS A 14 9.266 -9.716 0.577 1.00 55.42 H new ATOM 0 HZ2 LYS A 14 7.604 -9.486 0.840 1.00 55.42 H new ATOM 0 HZ3 LYS A 14 8.151 -10.107 -0.643 1.00 55.42 H new ATOM 233 N GLU A 15 7.458 -4.804 -4.632 1.00 54.32 N ATOM 234 CA GLU A 15 7.762 -5.151 -6.015 1.00 43.21 C ATOM 235 C GLU A 15 8.090 -3.904 -6.830 1.00 55.12 C ATOM 236 O GLU A 15 8.888 -3.950 -7.767 1.00 22.32 O ATOM 237 CB GLU A 15 6.584 -5.893 -6.650 1.00 65.01 C ATOM 238 CG GLU A 15 6.597 -7.391 -6.391 1.00 32.25 C ATOM 239 CD GLU A 15 5.337 -8.078 -6.880 1.00 25.42 C ATOM 240 OE1 GLU A 15 5.094 -8.072 -8.104 1.00 73.33 O ATOM 241 OE2 GLU A 15 4.594 -8.623 -6.036 1.00 2.54 O ATOM 0 H GLU A 15 6.477 -4.914 -4.375 1.00 54.32 H new ATOM 0 HA GLU A 15 8.635 -5.804 -6.014 1.00 43.21 H new ATOM 0 HB2 GLU A 15 5.653 -5.475 -6.267 1.00 65.01 H new ATOM 0 HB3 GLU A 15 6.593 -5.719 -7.726 1.00 65.01 H new ATOM 0 HG2 GLU A 15 7.462 -7.834 -6.884 1.00 32.25 H new ATOM 0 HG3 GLU A 15 6.713 -7.570 -5.322 1.00 32.25 H new ATOM 248 N LYS A 16 7.467 -2.787 -6.469 1.00 31.31 N ATOM 249 CA LYS A 16 7.690 -1.525 -7.163 1.00 41.23 C ATOM 250 C LYS A 16 8.956 -0.841 -6.656 1.00 50.11 C ATOM 251 O LYS A 16 9.570 -0.042 -7.365 1.00 72.43 O ATOM 252 CB LYS A 16 6.487 -0.597 -6.980 1.00 64.30 C ATOM 253 CG LYS A 16 5.185 -1.180 -7.499 1.00 72.54 C ATOM 254 CD LYS A 16 5.050 -0.995 -9.001 1.00 2.42 C ATOM 255 CE LYS A 16 4.876 0.471 -9.368 1.00 44.53 C ATOM 256 NZ LYS A 16 5.878 0.913 -10.378 1.00 65.21 N ATOM 0 H LYS A 16 6.802 -2.731 -5.698 1.00 31.31 H new ATOM 0 HA LYS A 16 7.815 -1.741 -8.224 1.00 41.23 H new ATOM 0 HB2 LYS A 16 6.375 -0.366 -5.921 1.00 64.30 H new ATOM 0 HB3 LYS A 16 6.684 0.345 -7.493 1.00 64.30 H new ATOM 0 HG2 LYS A 16 5.139 -2.242 -7.257 1.00 72.54 H new ATOM 0 HG3 LYS A 16 4.345 -0.701 -6.996 1.00 72.54 H new ATOM 0 HD2 LYS A 16 5.934 -1.393 -9.499 1.00 2.42 H new ATOM 0 HD3 LYS A 16 4.195 -1.566 -9.364 1.00 2.42 H new ATOM 0 HE2 LYS A 16 3.871 0.631 -9.759 1.00 44.53 H new ATOM 0 HE3 LYS A 16 4.970 1.083 -8.471 1.00 44.53 H new ATOM 0 HZ1 LYS A 16 6.516 1.614 -9.950 1.00 65.21 H new ATOM 0 HZ2 LYS A 16 6.431 0.093 -10.701 1.00 65.21 H new ATOM 0 HZ3 LYS A 16 5.388 1.341 -11.189 1.00 65.21 H new ATOM 270 N LEU A 17 9.342 -1.160 -5.425 1.00 1.31 N ATOM 271 CA LEU A 17 10.536 -0.578 -4.823 1.00 15.23 C ATOM 272 C LEU A 17 11.739 -1.500 -4.995 1.00 32.52 C ATOM 273 O LEU A 17 12.878 -1.101 -4.759 1.00 2.20 O ATOM 274 CB LEU A 17 10.299 -0.301 -3.337 1.00 54.32 C ATOM 275 CG LEU A 17 9.065 0.537 -3.000 1.00 25.24 C ATOM 276 CD1 LEU A 17 9.017 0.840 -1.510 1.00 53.31 C ATOM 277 CD2 LEU A 17 9.058 1.826 -3.808 1.00 72.11 C ATOM 0 H LEU A 17 8.845 -1.818 -4.825 1.00 1.31 H new ATOM 0 HA LEU A 17 10.747 0.362 -5.332 1.00 15.23 H new ATOM 0 HB2 LEU A 17 10.218 -1.256 -2.818 1.00 54.32 H new ATOM 0 HB3 LEU A 17 11.178 0.205 -2.937 1.00 54.32 H new ATOM 0 HG LEU A 17 8.177 -0.037 -3.263 1.00 25.24 H new ATOM 0 HD11 LEU A 17 8.132 1.437 -1.288 1.00 53.31 H new ATOM 0 HD12 LEU A 17 8.974 -0.094 -0.950 1.00 53.31 H new ATOM 0 HD13 LEU A 17 9.910 1.394 -1.223 1.00 53.31 H new ATOM 0 HD21 LEU A 17 8.173 2.409 -3.555 1.00 72.11 H new ATOM 0 HD22 LEU A 17 9.952 2.405 -3.577 1.00 72.11 H new ATOM 0 HD23 LEU A 17 9.044 1.589 -4.872 1.00 72.11 H new ATOM 289 N ALA A 18 11.475 -2.736 -5.408 1.00 53.13 N ATOM 290 CA ALA A 18 12.536 -3.714 -5.615 1.00 72.23 C ATOM 291 C ALA A 18 11.974 -5.026 -6.153 1.00 42.44 C ATOM 292 O ALA A 18 10.781 -5.132 -6.438 1.00 21.22 O ATOM 293 CB ALA A 18 13.293 -3.954 -4.318 1.00 5.32 C ATOM 0 H ALA A 18 10.536 -3.083 -5.606 1.00 53.13 H new ATOM 0 HA ALA A 18 13.227 -3.313 -6.356 1.00 72.23 H new ATOM 0 HB1 ALA A 18 14.082 -4.686 -4.488 1.00 5.32 H new ATOM 0 HB2 ALA A 18 13.734 -3.018 -3.976 1.00 5.32 H new ATOM 0 HB3 ALA A 18 12.606 -4.330 -3.560 1.00 5.32 H new ATOM 299 N LEU A 19 12.842 -6.022 -6.292 1.00 24.04 N ATOM 300 CA LEU A 19 12.433 -7.329 -6.797 1.00 14.22 C ATOM 301 C LEU A 19 11.580 -8.067 -5.769 1.00 44.55 C ATOM 302 O LEU A 19 10.815 -8.966 -6.115 1.00 53.43 O ATOM 303 CB LEU A 19 13.662 -8.167 -7.154 1.00 14.03 C ATOM 304 CG LEU A 19 14.189 -8.012 -8.581 1.00 32.21 C ATOM 305 CD1 LEU A 19 15.620 -8.518 -8.681 1.00 34.44 C ATOM 306 CD2 LEU A 19 13.291 -8.748 -9.564 1.00 61.42 C ATOM 0 H LEU A 19 13.833 -5.950 -6.062 1.00 24.04 H new ATOM 0 HA LEU A 19 11.834 -7.174 -7.694 1.00 14.22 H new ATOM 0 HB2 LEU A 19 14.465 -7.912 -6.462 1.00 14.03 H new ATOM 0 HB3 LEU A 19 13.421 -9.217 -6.989 1.00 14.03 H new ATOM 0 HG LEU A 19 14.182 -6.952 -8.837 1.00 32.21 H new ATOM 0 HD11 LEU A 19 15.977 -8.399 -9.704 1.00 34.44 H new ATOM 0 HD12 LEU A 19 16.256 -7.946 -8.006 1.00 34.44 H new ATOM 0 HD13 LEU A 19 15.653 -9.572 -8.405 1.00 34.44 H new ATOM 0 HD21 LEU A 19 13.681 -8.627 -10.574 1.00 61.42 H new ATOM 0 HD22 LEU A 19 13.265 -9.808 -9.310 1.00 61.42 H new ATOM 0 HD23 LEU A 19 12.282 -8.338 -9.513 1.00 61.42 H new ATOM 318 N GLY A 20 11.718 -7.680 -4.506 1.00 14.05 N ATOM 319 CA GLY A 20 10.953 -8.313 -3.448 1.00 4.11 C ATOM 320 C GLY A 20 11.700 -9.462 -2.801 1.00 1.13 C ATOM 321 O GLY A 20 11.418 -9.832 -1.661 1.00 75.31 O ATOM 0 H GLY A 20 12.346 -6.939 -4.196 1.00 14.05 H new ATOM 0 HA2 GLY A 20 10.706 -7.571 -2.689 1.00 4.11 H new ATOM 0 HA3 GLY A 20 10.010 -8.679 -3.855 1.00 4.11 H new ATOM 325 N ALA A 21 12.656 -10.030 -3.530 1.00 14.02 N ATOM 326 CA ALA A 21 13.446 -11.143 -3.019 1.00 72.14 C ATOM 327 C ALA A 21 14.707 -10.647 -2.319 1.00 74.41 C ATOM 328 O ALA A 21 15.270 -11.339 -1.471 1.00 33.25 O ATOM 329 CB ALA A 21 13.809 -12.095 -4.150 1.00 34.32 C ATOM 0 H ALA A 21 12.902 -9.737 -4.476 1.00 14.02 H new ATOM 0 HA ALA A 21 12.842 -11.678 -2.286 1.00 72.14 H new ATOM 0 HB1 ALA A 21 14.399 -12.922 -3.754 1.00 34.32 H new ATOM 0 HB2 ALA A 21 12.898 -12.484 -4.604 1.00 34.32 H new ATOM 0 HB3 ALA A 21 14.390 -11.562 -4.902 1.00 34.32 H new ATOM 335 N ASP A 22 15.144 -9.446 -2.680 1.00 33.44 N ATOM 336 CA ASP A 22 16.337 -8.856 -2.085 1.00 62.00 C ATOM 337 C ASP A 22 15.967 -7.743 -1.111 1.00 13.03 C ATOM 338 O ASP A 22 16.838 -7.104 -0.521 1.00 21.41 O ATOM 339 CB ASP A 22 17.259 -8.309 -3.176 1.00 40.41 C ATOM 340 CG ASP A 22 16.493 -7.637 -4.298 1.00 53.14 C ATOM 341 OD1 ASP A 22 15.605 -6.811 -3.999 1.00 22.45 O ATOM 342 OD2 ASP A 22 16.781 -7.936 -5.476 1.00 75.23 O ATOM 0 H ASP A 22 14.690 -8.862 -3.382 1.00 33.44 H new ATOM 0 HA ASP A 22 16.861 -9.637 -1.533 1.00 62.00 H new ATOM 0 HB2 ASP A 22 17.954 -7.594 -2.736 1.00 40.41 H new ATOM 0 HB3 ASP A 22 17.856 -9.124 -3.585 1.00 40.41 H new ATOM 347 N VAL A 23 14.667 -7.516 -0.946 1.00 1.23 N ATOM 348 CA VAL A 23 14.181 -6.480 -0.042 1.00 72.15 C ATOM 349 C VAL A 23 13.095 -7.022 0.880 1.00 13.14 C ATOM 350 O VAL A 23 12.296 -7.871 0.485 1.00 75.05 O ATOM 351 CB VAL A 23 13.623 -5.274 -0.821 1.00 13.44 C ATOM 352 CG1 VAL A 23 12.507 -5.711 -1.757 1.00 54.21 C ATOM 353 CG2 VAL A 23 13.135 -4.200 0.140 1.00 74.30 C ATOM 0 H VAL A 23 13.932 -8.035 -1.426 1.00 1.23 H new ATOM 0 HA VAL A 23 15.032 -6.155 0.556 1.00 72.15 H new ATOM 0 HB VAL A 23 14.425 -4.852 -1.426 1.00 13.44 H new ATOM 0 HG11 VAL A 23 12.126 -4.845 -2.298 1.00 54.21 H new ATOM 0 HG12 VAL A 23 12.893 -6.442 -2.468 1.00 54.21 H new ATOM 0 HG13 VAL A 23 11.701 -6.160 -1.177 1.00 54.21 H new ATOM 0 HG21 VAL A 23 12.744 -3.355 -0.427 1.00 74.30 H new ATOM 0 HG22 VAL A 23 12.347 -4.609 0.772 1.00 74.30 H new ATOM 0 HG23 VAL A 23 13.964 -3.866 0.764 1.00 74.30 H new ATOM 363 N VAL A 24 13.070 -6.524 2.112 1.00 34.33 N ATOM 364 CA VAL A 24 12.081 -6.956 3.092 1.00 55.00 C ATOM 365 C VAL A 24 11.197 -5.794 3.531 1.00 45.22 C ATOM 366 O VAL A 24 11.689 -4.775 4.018 1.00 20.10 O ATOM 367 CB VAL A 24 12.753 -7.573 4.333 1.00 74.11 C ATOM 368 CG1 VAL A 24 13.746 -6.597 4.943 1.00 1.24 C ATOM 369 CG2 VAL A 24 11.704 -7.989 5.354 1.00 3.24 C ATOM 0 H VAL A 24 13.724 -5.820 2.455 1.00 34.33 H new ATOM 0 HA VAL A 24 11.465 -7.713 2.607 1.00 55.00 H new ATOM 0 HB VAL A 24 13.300 -8.464 4.024 1.00 74.11 H new ATOM 0 HG11 VAL A 24 14.211 -7.050 5.819 1.00 1.24 H new ATOM 0 HG12 VAL A 24 14.515 -6.354 4.209 1.00 1.24 H new ATOM 0 HG13 VAL A 24 13.226 -5.686 5.239 1.00 1.24 H new ATOM 0 HG21 VAL A 24 12.196 -8.423 6.225 1.00 3.24 H new ATOM 0 HG22 VAL A 24 11.128 -7.116 5.660 1.00 3.24 H new ATOM 0 HG23 VAL A 24 11.036 -8.727 4.909 1.00 3.24 H new ATOM 379 N VAL A 25 9.890 -5.953 3.356 1.00 33.21 N ATOM 380 CA VAL A 25 8.936 -4.917 3.736 1.00 63.12 C ATOM 381 C VAL A 25 8.030 -5.392 4.866 1.00 53.43 C ATOM 382 O VAL A 25 7.637 -6.559 4.915 1.00 51.51 O ATOM 383 CB VAL A 25 8.065 -4.490 2.539 1.00 45.13 C ATOM 384 CG1 VAL A 25 7.060 -3.430 2.962 1.00 75.15 C ATOM 385 CG2 VAL A 25 8.937 -3.985 1.399 1.00 4.31 C ATOM 0 H VAL A 25 9.467 -6.789 2.954 1.00 33.21 H new ATOM 0 HA VAL A 25 9.518 -4.060 4.077 1.00 63.12 H new ATOM 0 HB VAL A 25 7.512 -5.360 2.185 1.00 45.13 H new ATOM 0 HG11 VAL A 25 6.454 -3.140 2.104 1.00 75.15 H new ATOM 0 HG12 VAL A 25 6.415 -3.832 3.743 1.00 75.15 H new ATOM 0 HG13 VAL A 25 7.590 -2.557 3.343 1.00 75.15 H new ATOM 0 HG21 VAL A 25 8.305 -3.688 0.562 1.00 4.31 H new ATOM 0 HG22 VAL A 25 9.518 -3.127 1.738 1.00 4.31 H new ATOM 0 HG23 VAL A 25 9.613 -4.778 1.079 1.00 4.31 H new ATOM 395 N THR A 26 7.698 -4.480 5.774 1.00 11.15 N ATOM 396 CA THR A 26 6.838 -4.805 6.905 1.00 13.11 C ATOM 397 C THR A 26 5.743 -3.759 7.082 1.00 52.13 C ATOM 398 O THR A 26 5.737 -2.732 6.403 1.00 64.44 O ATOM 399 CB THR A 26 7.646 -4.912 8.213 1.00 53.40 C ATOM 400 OG1 THR A 26 8.784 -4.044 8.157 1.00 24.53 O ATOM 401 CG2 THR A 26 8.102 -6.342 8.451 1.00 23.32 C ATOM 0 H THR A 26 8.012 -3.510 5.748 1.00 11.15 H new ATOM 0 HA THR A 26 6.382 -5.771 6.688 1.00 13.11 H new ATOM 0 HB THR A 26 7.002 -4.612 9.039 1.00 53.40 H new ATOM 0 HG1 THR A 26 9.292 -4.116 8.992 1.00 24.53 H new ATOM 0 HG21 THR A 26 8.670 -6.393 9.380 1.00 23.32 H new ATOM 0 HG22 THR A 26 7.232 -6.994 8.522 1.00 23.32 H new ATOM 0 HG23 THR A 26 8.732 -6.666 7.622 1.00 23.32 H new ATOM 409 N ALA A 27 4.818 -4.027 7.997 1.00 40.22 N ATOM 410 CA ALA A 27 3.719 -3.107 8.263 1.00 32.14 C ATOM 411 C ALA A 27 4.220 -1.835 8.939 1.00 55.41 C ATOM 412 O ALA A 27 3.594 -0.779 8.838 1.00 73.31 O ATOM 413 CB ALA A 27 2.662 -3.783 9.125 1.00 73.15 C ATOM 0 H ALA A 27 4.807 -4.873 8.566 1.00 40.22 H new ATOM 0 HA ALA A 27 3.271 -2.829 7.309 1.00 32.14 H new ATOM 0 HB1 ALA A 27 1.847 -3.085 9.316 1.00 73.15 H new ATOM 0 HB2 ALA A 27 2.275 -4.659 8.605 1.00 73.15 H new ATOM 0 HB3 ALA A 27 3.106 -4.090 10.072 1.00 73.15 H new ATOM 419 N ASP A 28 5.350 -1.942 9.628 1.00 42.11 N ATOM 420 CA ASP A 28 5.936 -0.799 10.319 1.00 33.54 C ATOM 421 C ASP A 28 6.831 0.004 9.381 1.00 33.30 C ATOM 422 O ASP A 28 7.121 1.173 9.634 1.00 1.24 O ATOM 423 CB ASP A 28 6.739 -1.268 11.534 1.00 33.12 C ATOM 424 CG ASP A 28 7.079 -0.131 12.477 1.00 23.12 C ATOM 425 OD1 ASP A 28 6.442 0.938 12.370 1.00 4.32 O ATOM 426 OD2 ASP A 28 7.981 -0.310 13.322 1.00 44.23 O ATOM 0 H ASP A 28 5.879 -2.809 9.723 1.00 42.11 H new ATOM 0 HA ASP A 28 5.124 -0.154 10.656 1.00 33.54 H new ATOM 0 HB2 ASP A 28 6.169 -2.025 12.073 1.00 33.12 H new ATOM 0 HB3 ASP A 28 7.660 -1.743 11.196 1.00 33.12 H new ATOM 431 N SER A 29 7.265 -0.631 8.298 1.00 22.10 N ATOM 432 CA SER A 29 8.131 0.023 7.325 1.00 42.44 C ATOM 433 C SER A 29 7.424 1.212 6.680 1.00 74.25 C ATOM 434 O SER A 29 6.232 1.148 6.377 1.00 3.11 O ATOM 435 CB SER A 29 8.565 -0.972 6.247 1.00 52.34 C ATOM 436 OG SER A 29 8.869 -0.308 5.032 1.00 41.15 O ATOM 0 H SER A 29 7.031 -1.598 8.072 1.00 22.10 H new ATOM 0 HA SER A 29 9.014 0.388 7.850 1.00 42.44 H new ATOM 0 HB2 SER A 29 9.438 -1.527 6.590 1.00 52.34 H new ATOM 0 HB3 SER A 29 7.771 -1.700 6.079 1.00 52.34 H new ATOM 0 HG SER A 29 9.762 0.091 5.092 1.00 41.15 H new ATOM 442 N GLU A 30 8.167 2.295 6.475 1.00 31.10 N ATOM 443 CA GLU A 30 7.611 3.498 5.868 1.00 71.12 C ATOM 444 C GLU A 30 7.977 3.580 4.388 1.00 15.55 C ATOM 445 O GLU A 30 9.120 3.330 4.006 1.00 52.01 O ATOM 446 CB GLU A 30 8.113 4.745 6.600 1.00 45.35 C ATOM 447 CG GLU A 30 7.911 4.690 8.104 1.00 43.20 C ATOM 448 CD GLU A 30 8.463 5.912 8.811 1.00 5.13 C ATOM 449 OE1 GLU A 30 8.284 7.032 8.287 1.00 35.43 O ATOM 450 OE2 GLU A 30 9.075 5.750 9.888 1.00 1.50 O ATOM 0 H GLU A 30 9.155 2.364 6.720 1.00 31.10 H new ATOM 0 HA GLU A 30 6.525 3.449 5.953 1.00 71.12 H new ATOM 0 HB2 GLU A 30 9.174 4.877 6.389 1.00 45.35 H new ATOM 0 HB3 GLU A 30 7.598 5.620 6.204 1.00 45.35 H new ATOM 0 HG2 GLU A 30 6.847 4.599 8.321 1.00 43.20 H new ATOM 0 HG3 GLU A 30 8.394 3.797 8.499 1.00 43.20 H new ATOM 457 N PHE A 31 6.999 3.933 3.561 1.00 14.35 N ATOM 458 CA PHE A 31 7.217 4.047 2.124 1.00 1.21 C ATOM 459 C PHE A 31 8.403 4.960 1.824 1.00 22.03 C ATOM 460 O PHE A 31 9.087 4.795 0.814 1.00 73.31 O ATOM 461 CB PHE A 31 5.959 4.584 1.437 1.00 12.55 C ATOM 462 CG PHE A 31 4.767 3.684 1.581 1.00 52.04 C ATOM 463 CD1 PHE A 31 4.708 2.477 0.901 1.00 54.12 C ATOM 464 CD2 PHE A 31 3.704 4.043 2.394 1.00 2.21 C ATOM 465 CE1 PHE A 31 3.611 1.646 1.031 1.00 43.14 C ATOM 466 CE2 PHE A 31 2.605 3.215 2.528 1.00 41.41 C ATOM 467 CZ PHE A 31 2.558 2.016 1.844 1.00 4.21 C ATOM 0 H PHE A 31 6.048 4.145 3.861 1.00 14.35 H new ATOM 0 HA PHE A 31 7.439 3.053 1.736 1.00 1.21 H new ATOM 0 HB2 PHE A 31 5.718 5.562 1.852 1.00 12.55 H new ATOM 0 HB3 PHE A 31 6.168 4.730 0.377 1.00 12.55 H new ATOM 0 HD1 PHE A 31 5.528 2.183 0.263 1.00 54.12 H new ATOM 0 HD2 PHE A 31 3.734 4.981 2.929 1.00 2.21 H new ATOM 0 HE1 PHE A 31 3.578 0.708 0.497 1.00 43.14 H new ATOM 0 HE2 PHE A 31 1.784 3.505 3.167 1.00 41.41 H new ATOM 0 HZ PHE A 31 1.699 1.369 1.945 1.00 4.21 H new ATOM 477 N SER A 32 8.641 5.922 2.711 1.00 74.45 N ATOM 478 CA SER A 32 9.741 6.864 2.540 1.00 61.33 C ATOM 479 C SER A 32 11.075 6.206 2.877 1.00 3.05 C ATOM 480 O SER A 32 12.106 6.524 2.284 1.00 54.11 O ATOM 481 CB SER A 32 9.528 8.094 3.423 1.00 52.01 C ATOM 482 OG SER A 32 10.755 8.752 3.685 1.00 32.03 O ATOM 0 H SER A 32 8.087 6.069 3.555 1.00 74.45 H new ATOM 0 HA SER A 32 9.763 7.175 1.496 1.00 61.33 H new ATOM 0 HB2 SER A 32 8.840 8.783 2.933 1.00 52.01 H new ATOM 0 HB3 SER A 32 9.064 7.795 4.363 1.00 52.01 H new ATOM 0 HG SER A 32 10.592 9.536 4.250 1.00 32.03 H new ATOM 488 N LYS A 33 11.049 5.286 3.836 1.00 60.22 N ATOM 489 CA LYS A 33 12.255 4.581 4.253 1.00 31.23 C ATOM 490 C LYS A 33 12.633 3.503 3.243 1.00 32.24 C ATOM 491 O LYS A 33 13.814 3.237 3.016 1.00 73.41 O ATOM 492 CB LYS A 33 12.050 3.952 5.633 1.00 25.34 C ATOM 493 CG LYS A 33 12.419 4.874 6.783 1.00 43.01 C ATOM 494 CD LYS A 33 12.554 4.109 8.090 1.00 45.23 C ATOM 495 CE LYS A 33 12.262 4.999 9.288 1.00 23.34 C ATOM 496 NZ LYS A 33 13.257 6.100 9.417 1.00 71.14 N ATOM 0 H LYS A 33 10.205 5.011 4.339 1.00 60.22 H new ATOM 0 HA LYS A 33 13.069 5.305 4.306 1.00 31.23 H new ATOM 0 HB2 LYS A 33 11.006 3.656 5.737 1.00 25.34 H new ATOM 0 HB3 LYS A 33 12.648 3.043 5.701 1.00 25.34 H new ATOM 0 HG2 LYS A 33 13.358 5.380 6.558 1.00 43.01 H new ATOM 0 HG3 LYS A 33 11.658 5.647 6.890 1.00 43.01 H new ATOM 0 HD2 LYS A 33 11.869 3.261 8.089 1.00 45.23 H new ATOM 0 HD3 LYS A 33 13.562 3.704 8.173 1.00 45.23 H new ATOM 0 HE2 LYS A 33 11.262 5.423 9.191 1.00 23.34 H new ATOM 0 HE3 LYS A 33 12.266 4.397 10.197 1.00 23.34 H new ATOM 0 HZ1 LYS A 33 13.053 6.653 10.274 1.00 71.14 H new ATOM 0 HZ2 LYS A 33 14.214 5.697 9.484 1.00 71.14 H new ATOM 0 HZ3 LYS A 33 13.200 6.719 8.583 1.00 71.14 H new ATOM 510 N LEU A 34 11.624 2.886 2.638 1.00 41.12 N ATOM 511 CA LEU A 34 11.851 1.837 1.649 1.00 54.42 C ATOM 512 C LEU A 34 12.494 2.408 0.388 1.00 25.43 C ATOM 513 O LEU A 34 13.112 1.680 -0.388 1.00 11.31 O ATOM 514 CB LEU A 34 10.532 1.149 1.296 1.00 54.42 C ATOM 515 CG LEU A 34 9.910 0.285 2.393 1.00 12.22 C ATOM 516 CD1 LEU A 34 8.595 -0.315 1.920 1.00 34.31 C ATOM 517 CD2 LEU A 34 10.875 -0.811 2.819 1.00 4.03 C ATOM 0 H LEU A 34 10.641 3.094 2.815 1.00 41.12 H new ATOM 0 HA LEU A 34 12.532 1.104 2.082 1.00 54.42 H new ATOM 0 HB2 LEU A 34 9.811 1.915 1.012 1.00 54.42 H new ATOM 0 HB3 LEU A 34 10.695 0.524 0.418 1.00 54.42 H new ATOM 0 HG LEU A 34 9.706 0.919 3.256 1.00 12.22 H new ATOM 0 HD11 LEU A 34 8.168 -0.927 2.714 1.00 34.31 H new ATOM 0 HD12 LEU A 34 7.901 0.486 1.665 1.00 34.31 H new ATOM 0 HD13 LEU A 34 8.773 -0.935 1.041 1.00 34.31 H new ATOM 0 HD21 LEU A 34 10.416 -1.416 3.601 1.00 4.03 H new ATOM 0 HD22 LEU A 34 11.110 -1.442 1.962 1.00 4.03 H new ATOM 0 HD23 LEU A 34 11.792 -0.361 3.200 1.00 4.03 H new ATOM 529 N GLY A 35 12.346 3.714 0.194 1.00 54.23 N ATOM 530 CA GLY A 35 12.920 4.360 -0.973 1.00 20.43 C ATOM 531 C GLY A 35 11.863 4.855 -1.941 1.00 25.50 C ATOM 532 O GLY A 35 12.147 5.086 -3.115 1.00 21.12 O ATOM 0 H GLY A 35 11.839 4.337 0.823 1.00 54.23 H new ATOM 0 HA2 GLY A 35 13.537 5.200 -0.653 1.00 20.43 H new ATOM 0 HA3 GLY A 35 13.578 3.658 -1.486 1.00 20.43 H new ATOM 536 N ALA A 36 10.639 5.015 -1.447 1.00 1.24 N ATOM 537 CA ALA A 36 9.537 5.486 -2.276 1.00 33.22 C ATOM 538 C ALA A 36 9.264 6.967 -2.037 1.00 71.52 C ATOM 539 O ALA A 36 8.776 7.355 -0.975 1.00 63.32 O ATOM 540 CB ALA A 36 8.285 4.665 -2.004 1.00 35.11 C ATOM 0 H ALA A 36 10.386 4.825 -0.477 1.00 1.24 H new ATOM 0 HA ALA A 36 9.821 5.361 -3.321 1.00 33.22 H new ATOM 0 HB1 ALA A 36 7.469 5.027 -2.630 1.00 35.11 H new ATOM 0 HB2 ALA A 36 8.480 3.617 -2.233 1.00 35.11 H new ATOM 0 HB3 ALA A 36 8.007 4.762 -0.954 1.00 35.11 H new ATOM 546 N ASP A 37 9.581 7.789 -3.031 1.00 13.33 N ATOM 547 CA ASP A 37 9.369 9.229 -2.928 1.00 51.52 C ATOM 548 C ASP A 37 7.929 9.592 -3.276 1.00 35.34 C ATOM 549 O ASP A 37 7.108 8.719 -3.556 1.00 2.22 O ATOM 550 CB ASP A 37 10.333 9.974 -3.852 1.00 10.31 C ATOM 551 CG ASP A 37 11.737 9.404 -3.807 1.00 54.15 C ATOM 552 OD1 ASP A 37 12.529 9.844 -2.948 1.00 40.14 O ATOM 553 OD2 ASP A 37 12.042 8.516 -4.630 1.00 23.45 O ATOM 0 H ASP A 37 9.985 7.484 -3.916 1.00 13.33 H new ATOM 0 HA ASP A 37 9.561 9.528 -1.897 1.00 51.52 H new ATOM 0 HB2 ASP A 37 9.959 9.929 -4.875 1.00 10.31 H new ATOM 0 HB3 ASP A 37 10.362 11.026 -3.569 1.00 10.31 H new ATOM 558 N SER A 38 7.628 10.887 -3.254 1.00 22.31 N ATOM 559 CA SER A 38 6.286 11.366 -3.562 1.00 22.43 C ATOM 560 C SER A 38 5.829 10.862 -4.927 1.00 45.23 C ATOM 561 O SER A 38 4.645 10.601 -5.141 1.00 54.13 O ATOM 562 CB SER A 38 6.247 12.894 -3.530 1.00 34.11 C ATOM 563 OG SER A 38 4.916 13.373 -3.621 1.00 32.53 O ATOM 0 H SER A 38 8.296 11.623 -3.026 1.00 22.31 H new ATOM 0 HA SER A 38 5.606 10.977 -2.805 1.00 22.43 H new ATOM 0 HB2 SER A 38 6.704 13.253 -2.608 1.00 34.11 H new ATOM 0 HB3 SER A 38 6.838 13.293 -4.355 1.00 34.11 H new ATOM 0 HG SER A 38 4.919 14.353 -3.597 1.00 32.53 H new ATOM 569 N LEU A 39 6.777 10.727 -5.848 1.00 13.14 N ATOM 570 CA LEU A 39 6.474 10.255 -7.195 1.00 20.13 C ATOM 571 C LEU A 39 6.256 8.745 -7.206 1.00 2.53 C ATOM 572 O LEU A 39 5.528 8.219 -8.047 1.00 54.31 O ATOM 573 CB LEU A 39 7.607 10.626 -8.153 1.00 33.21 C ATOM 574 CG LEU A 39 7.964 12.111 -8.227 1.00 41.45 C ATOM 575 CD1 LEU A 39 9.027 12.456 -7.196 1.00 70.23 C ATOM 576 CD2 LEU A 39 8.437 12.476 -9.627 1.00 4.13 C ATOM 0 H LEU A 39 7.762 10.938 -5.687 1.00 13.14 H new ATOM 0 HA LEU A 39 5.555 10.738 -7.525 1.00 20.13 H new ATOM 0 HB2 LEU A 39 8.499 10.072 -7.860 1.00 33.21 H new ATOM 0 HB3 LEU A 39 7.336 10.288 -9.153 1.00 33.21 H new ATOM 0 HG LEU A 39 7.069 12.692 -8.004 1.00 41.45 H new ATOM 0 HD11 LEU A 39 9.268 13.517 -7.263 1.00 70.23 H new ATOM 0 HD12 LEU A 39 8.652 12.232 -6.197 1.00 70.23 H new ATOM 0 HD13 LEU A 39 9.924 11.867 -7.387 1.00 70.23 H new ATOM 0 HD21 LEU A 39 8.687 13.536 -9.662 1.00 4.13 H new ATOM 0 HD22 LEU A 39 9.319 11.887 -9.878 1.00 4.13 H new ATOM 0 HD23 LEU A 39 7.644 12.266 -10.345 1.00 4.13 H new ATOM 588 N ASP A 40 6.890 8.055 -6.265 1.00 22.44 N ATOM 589 CA ASP A 40 6.763 6.605 -6.164 1.00 4.31 C ATOM 590 C ASP A 40 5.461 6.221 -5.469 1.00 63.21 C ATOM 591 O ASP A 40 4.725 5.353 -5.942 1.00 14.14 O ATOM 592 CB ASP A 40 7.954 6.019 -5.404 1.00 31.14 C ATOM 593 CG ASP A 40 8.709 4.986 -6.216 1.00 34.12 C ATOM 594 OD1 ASP A 40 8.127 3.920 -6.506 1.00 22.13 O ATOM 595 OD2 ASP A 40 9.881 5.243 -6.562 1.00 4.22 O ATOM 0 H ASP A 40 7.497 8.475 -5.561 1.00 22.44 H new ATOM 0 HA ASP A 40 6.749 6.195 -7.174 1.00 4.31 H new ATOM 0 HB2 ASP A 40 8.634 6.824 -5.124 1.00 31.14 H new ATOM 0 HB3 ASP A 40 7.602 5.563 -4.479 1.00 31.14 H new ATOM 600 N THR A 41 5.182 6.871 -4.344 1.00 11.13 N ATOM 601 CA THR A 41 3.970 6.596 -3.582 1.00 72.14 C ATOM 602 C THR A 41 2.745 6.576 -4.488 1.00 53.11 C ATOM 603 O THR A 41 1.794 5.831 -4.248 1.00 61.40 O ATOM 604 CB THR A 41 3.756 7.640 -2.470 1.00 55.02 C ATOM 605 OG1 THR A 41 5.000 7.925 -1.820 1.00 75.25 O ATOM 606 CG2 THR A 41 2.745 7.143 -1.449 1.00 71.40 C ATOM 0 H THR A 41 5.779 7.592 -3.940 1.00 11.13 H new ATOM 0 HA THR A 41 4.098 5.614 -3.127 1.00 72.14 H new ATOM 0 HB THR A 41 3.369 8.551 -2.926 1.00 55.02 H new ATOM 0 HG1 THR A 41 4.856 8.591 -1.115 1.00 75.25 H new ATOM 0 HG21 THR A 41 2.610 7.897 -0.674 1.00 71.40 H new ATOM 0 HG22 THR A 41 1.791 6.956 -1.943 1.00 71.40 H new ATOM 0 HG23 THR A 41 3.108 6.219 -0.998 1.00 71.40 H new ATOM 614 N VAL A 42 2.772 7.399 -5.531 1.00 51.35 N ATOM 615 CA VAL A 42 1.663 7.475 -6.476 1.00 25.11 C ATOM 616 C VAL A 42 1.504 6.166 -7.242 1.00 15.02 C ATOM 617 O VAL A 42 0.391 5.671 -7.418 1.00 12.21 O ATOM 618 CB VAL A 42 1.859 8.625 -7.481 1.00 2.10 C ATOM 619 CG1 VAL A 42 0.809 8.560 -8.579 1.00 62.03 C ATOM 620 CG2 VAL A 42 1.814 9.969 -6.768 1.00 63.30 C ATOM 0 H VAL A 42 3.550 8.023 -5.744 1.00 51.35 H new ATOM 0 HA VAL A 42 0.762 7.663 -5.892 1.00 25.11 H new ATOM 0 HB VAL A 42 2.840 8.517 -7.943 1.00 2.10 H new ATOM 0 HG11 VAL A 42 0.964 9.381 -9.280 1.00 62.03 H new ATOM 0 HG12 VAL A 42 0.894 7.611 -9.108 1.00 62.03 H new ATOM 0 HG13 VAL A 42 -0.184 8.642 -8.138 1.00 62.03 H new ATOM 0 HG21 VAL A 42 1.954 10.771 -7.493 1.00 63.30 H new ATOM 0 HG22 VAL A 42 0.848 10.088 -6.277 1.00 63.30 H new ATOM 0 HG23 VAL A 42 2.608 10.012 -6.022 1.00 63.30 H new ATOM 630 N GLU A 43 2.624 5.613 -7.695 1.00 61.33 N ATOM 631 CA GLU A 43 2.608 4.361 -8.444 1.00 33.33 C ATOM 632 C GLU A 43 2.127 3.208 -7.566 1.00 2.41 C ATOM 633 O GLU A 43 1.551 2.239 -8.058 1.00 75.34 O ATOM 634 CB GLU A 43 4.001 4.051 -8.993 1.00 11.21 C ATOM 635 CG GLU A 43 4.054 3.973 -10.509 1.00 52.41 C ATOM 636 CD GLU A 43 3.396 2.720 -11.052 1.00 62.24 C ATOM 637 OE1 GLU A 43 2.329 2.335 -10.530 1.00 1.34 O ATOM 638 OE2 GLU A 43 3.947 2.124 -12.002 1.00 10.13 O ATOM 0 H GLU A 43 3.553 6.011 -7.557 1.00 61.33 H new ATOM 0 HA GLU A 43 1.915 4.475 -9.277 1.00 33.33 H new ATOM 0 HB2 GLU A 43 4.696 4.819 -8.653 1.00 11.21 H new ATOM 0 HB3 GLU A 43 4.344 3.104 -8.577 1.00 11.21 H new ATOM 0 HG2 GLU A 43 3.562 4.849 -10.932 1.00 52.41 H new ATOM 0 HG3 GLU A 43 5.094 4.003 -10.834 1.00 52.41 H new ATOM 645 N ILE A 44 2.370 3.322 -6.265 1.00 2.34 N ATOM 646 CA ILE A 44 1.963 2.291 -5.318 1.00 55.33 C ATOM 647 C ILE A 44 0.443 2.209 -5.216 1.00 70.13 C ATOM 648 O ILE A 44 -0.143 1.138 -5.370 1.00 62.32 O ATOM 649 CB ILE A 44 2.547 2.550 -3.918 1.00 33.53 C ATOM 650 CG1 ILE A 44 4.063 2.742 -4.001 1.00 31.12 C ATOM 651 CG2 ILE A 44 2.203 1.403 -2.980 1.00 65.20 C ATOM 652 CD1 ILE A 44 4.767 1.656 -4.784 1.00 61.41 C ATOM 0 H ILE A 44 2.847 4.118 -5.842 1.00 2.34 H new ATOM 0 HA ILE A 44 2.352 1.345 -5.695 1.00 55.33 H new ATOM 0 HB ILE A 44 2.106 3.464 -3.520 1.00 33.53 H new ATOM 0 HG12 ILE A 44 4.274 3.707 -4.462 1.00 31.12 H new ATOM 0 HG13 ILE A 44 4.473 2.775 -2.992 1.00 31.12 H new ATOM 0 HG21 ILE A 44 2.623 1.601 -1.994 1.00 65.20 H new ATOM 0 HG22 ILE A 44 1.120 1.310 -2.901 1.00 65.20 H new ATOM 0 HG23 ILE A 44 2.619 0.475 -3.372 1.00 65.20 H new ATOM 0 HD11 ILE A 44 5.838 1.856 -4.802 1.00 61.41 H new ATOM 0 HD12 ILE A 44 4.586 0.691 -4.311 1.00 61.41 H new ATOM 0 HD13 ILE A 44 4.385 1.637 -5.805 1.00 61.41 H new ATOM 664 N VAL A 45 -0.190 3.349 -4.957 1.00 24.43 N ATOM 665 CA VAL A 45 -1.642 3.407 -4.837 1.00 20.23 C ATOM 666 C VAL A 45 -2.315 3.133 -6.176 1.00 71.43 C ATOM 667 O VAL A 45 -3.370 2.501 -6.234 1.00 12.21 O ATOM 668 CB VAL A 45 -2.107 4.778 -4.311 1.00 14.03 C ATOM 669 CG1 VAL A 45 -1.626 5.892 -5.228 1.00 0.32 C ATOM 670 CG2 VAL A 45 -3.621 4.808 -4.171 1.00 3.14 C ATOM 0 H VAL A 45 0.280 4.245 -4.826 1.00 24.43 H new ATOM 0 HA VAL A 45 -1.932 2.635 -4.124 1.00 20.23 H new ATOM 0 HB VAL A 45 -1.670 4.938 -3.325 1.00 14.03 H new ATOM 0 HG11 VAL A 45 -1.964 6.853 -4.841 1.00 0.32 H new ATOM 0 HG12 VAL A 45 -0.537 5.881 -5.273 1.00 0.32 H new ATOM 0 HG13 VAL A 45 -2.032 5.741 -6.228 1.00 0.32 H new ATOM 0 HG21 VAL A 45 -3.933 5.784 -3.798 1.00 3.14 H new ATOM 0 HG22 VAL A 45 -4.080 4.627 -5.143 1.00 3.14 H new ATOM 0 HG23 VAL A 45 -3.937 4.034 -3.471 1.00 3.14 H new ATOM 680 N MET A 46 -1.699 3.612 -7.251 1.00 4.31 N ATOM 681 CA MET A 46 -2.238 3.417 -8.592 1.00 45.23 C ATOM 682 C MET A 46 -2.378 1.931 -8.911 1.00 1.24 C ATOM 683 O MET A 46 -3.438 1.477 -9.337 1.00 64.53 O ATOM 684 CB MET A 46 -1.338 4.090 -9.630 1.00 51.14 C ATOM 685 CG MET A 46 -2.083 4.549 -10.873 1.00 64.22 C ATOM 686 SD MET A 46 -2.881 6.151 -10.653 1.00 73.23 S ATOM 687 CE MET A 46 -1.461 7.197 -10.342 1.00 30.44 C ATOM 0 H MET A 46 -0.826 4.138 -7.220 1.00 4.31 H new ATOM 0 HA MET A 46 -3.227 3.874 -8.629 1.00 45.23 H new ATOM 0 HB2 MET A 46 -0.848 4.949 -9.172 1.00 51.14 H new ATOM 0 HB3 MET A 46 -0.552 3.394 -9.923 1.00 51.14 H new ATOM 0 HG2 MET A 46 -1.386 4.606 -11.709 1.00 64.22 H new ATOM 0 HG3 MET A 46 -2.836 3.806 -11.136 1.00 64.22 H new ATOM 0 HE1 MET A 46 -1.592 8.150 -10.855 1.00 30.44 H new ATOM 0 HE2 MET A 46 -1.366 7.372 -9.270 1.00 30.44 H new ATOM 0 HE3 MET A 46 -0.560 6.707 -10.711 1.00 30.44 H new ATOM 697 N ASN A 47 -1.300 1.182 -8.702 1.00 60.33 N ATOM 698 CA ASN A 47 -1.303 -0.252 -8.968 1.00 73.21 C ATOM 699 C ASN A 47 -2.271 -0.976 -8.037 1.00 32.44 C ATOM 700 O ASN A 47 -3.008 -1.868 -8.459 1.00 53.25 O ATOM 701 CB ASN A 47 0.105 -0.825 -8.804 1.00 63.54 C ATOM 702 CG ASN A 47 0.842 -0.935 -10.125 1.00 44.21 C ATOM 703 OD1 ASN A 47 1.475 -1.950 -10.414 1.00 21.12 O ATOM 704 ND2 ASN A 47 0.763 0.114 -10.935 1.00 13.24 N ATOM 0 H ASN A 47 -0.414 1.544 -8.350 1.00 60.33 H new ATOM 0 HA ASN A 47 -1.633 -0.405 -9.996 1.00 73.21 H new ATOM 0 HB2 ASN A 47 0.675 -0.191 -8.125 1.00 63.54 H new ATOM 0 HB3 ASN A 47 0.042 -1.811 -8.343 1.00 63.54 H new ATOM 0 HD21 ASN A 47 1.238 0.099 -11.837 1.00 13.24 H new ATOM 0 HD22 ASN A 47 0.227 0.935 -10.655 1.00 13.24 H new ATOM 711 N LEU A 48 -2.265 -0.586 -6.766 1.00 5.41 N ATOM 712 CA LEU A 48 -3.141 -1.197 -5.774 1.00 1.34 C ATOM 713 C LEU A 48 -4.606 -1.024 -6.162 1.00 13.12 C ATOM 714 O LEU A 48 -5.386 -1.974 -6.116 1.00 62.24 O ATOM 715 CB LEU A 48 -2.891 -0.582 -4.395 1.00 51.02 C ATOM 716 CG LEU A 48 -1.557 -0.934 -3.736 1.00 53.11 C ATOM 717 CD1 LEU A 48 -1.226 0.064 -2.637 1.00 10.24 C ATOM 718 CD2 LEU A 48 -1.593 -2.350 -3.180 1.00 74.34 C ATOM 0 H LEU A 48 -1.663 0.151 -6.399 1.00 5.41 H new ATOM 0 HA LEU A 48 -2.917 -2.263 -5.735 1.00 1.34 H new ATOM 0 HB2 LEU A 48 -2.954 0.502 -4.486 1.00 51.02 H new ATOM 0 HB3 LEU A 48 -3.696 -0.893 -3.729 1.00 51.02 H new ATOM 0 HG LEU A 48 -0.775 -0.883 -4.493 1.00 53.11 H new ATOM 0 HD11 LEU A 48 -0.273 -0.202 -2.179 1.00 10.24 H new ATOM 0 HD12 LEU A 48 -1.157 1.065 -3.063 1.00 10.24 H new ATOM 0 HD13 LEU A 48 -2.010 0.045 -1.880 1.00 10.24 H new ATOM 0 HD21 LEU A 48 -0.635 -2.583 -2.715 1.00 74.34 H new ATOM 0 HD22 LEU A 48 -2.386 -2.429 -2.436 1.00 74.34 H new ATOM 0 HD23 LEU A 48 -1.784 -3.054 -3.990 1.00 74.34 H new ATOM 730 N GLU A 49 -4.972 0.195 -6.545 1.00 4.52 N ATOM 731 CA GLU A 49 -6.343 0.491 -6.943 1.00 11.45 C ATOM 732 C GLU A 49 -6.802 -0.448 -8.055 1.00 12.03 C ATOM 733 O GLU A 49 -7.956 -0.873 -8.084 1.00 42.25 O ATOM 734 CB GLU A 49 -6.461 1.945 -7.406 1.00 24.42 C ATOM 735 CG GLU A 49 -6.555 2.942 -6.263 1.00 1.43 C ATOM 736 CD GLU A 49 -6.186 4.350 -6.686 1.00 14.10 C ATOM 737 OE1 GLU A 49 -5.922 4.557 -7.889 1.00 14.20 O ATOM 738 OE2 GLU A 49 -6.162 5.245 -5.816 1.00 53.30 O ATOM 0 H GLU A 49 -4.338 0.993 -6.588 1.00 4.52 H new ATOM 0 HA GLU A 49 -6.986 0.340 -6.076 1.00 11.45 H new ATOM 0 HB2 GLU A 49 -5.597 2.192 -8.023 1.00 24.42 H new ATOM 0 HB3 GLU A 49 -7.343 2.046 -8.038 1.00 24.42 H new ATOM 0 HG2 GLU A 49 -7.570 2.940 -5.867 1.00 1.43 H new ATOM 0 HG3 GLU A 49 -5.896 2.625 -5.454 1.00 1.43 H new ATOM 745 N GLU A 50 -5.889 -0.764 -8.968 1.00 14.45 N ATOM 746 CA GLU A 50 -6.200 -1.650 -10.083 1.00 53.22 C ATOM 747 C GLU A 50 -6.281 -3.101 -9.618 1.00 45.03 C ATOM 748 O GLU A 50 -6.992 -3.914 -10.208 1.00 50.40 O ATOM 749 CB GLU A 50 -5.145 -1.513 -11.183 1.00 32.42 C ATOM 750 CG GLU A 50 -5.381 -2.432 -12.370 1.00 5.42 C ATOM 751 CD GLU A 50 -6.733 -2.212 -13.020 1.00 31.34 C ATOM 752 OE1 GLU A 50 -7.119 -1.038 -13.203 1.00 51.31 O ATOM 753 OE2 GLU A 50 -7.407 -3.212 -13.343 1.00 31.11 O ATOM 0 H GLU A 50 -4.929 -0.420 -8.957 1.00 14.45 H new ATOM 0 HA GLU A 50 -7.171 -1.360 -10.484 1.00 53.22 H new ATOM 0 HB2 GLU A 50 -5.128 -0.480 -11.531 1.00 32.42 H new ATOM 0 HB3 GLU A 50 -4.162 -1.724 -10.761 1.00 32.42 H new ATOM 0 HG2 GLU A 50 -4.596 -2.272 -13.110 1.00 5.42 H new ATOM 0 HG3 GLU A 50 -5.304 -3.469 -12.043 1.00 5.42 H new ATOM 760 N GLU A 51 -5.545 -3.419 -8.558 1.00 31.25 N ATOM 761 CA GLU A 51 -5.531 -4.772 -8.015 1.00 32.22 C ATOM 762 C GLU A 51 -6.817 -5.063 -7.246 1.00 32.31 C ATOM 763 O GLU A 51 -7.472 -6.080 -7.472 1.00 41.24 O ATOM 764 CB GLU A 51 -4.321 -4.966 -7.099 1.00 35.51 C ATOM 765 CG GLU A 51 -4.047 -6.420 -6.752 1.00 13.25 C ATOM 766 CD GLU A 51 -3.165 -7.107 -7.775 1.00 75.51 C ATOM 767 OE1 GLU A 51 -3.505 -7.061 -8.977 1.00 24.52 O ATOM 768 OE2 GLU A 51 -2.137 -7.690 -7.376 1.00 65.51 O ATOM 0 H GLU A 51 -4.950 -2.758 -8.058 1.00 31.25 H new ATOM 0 HA GLU A 51 -5.461 -5.470 -8.849 1.00 32.22 H new ATOM 0 HB2 GLU A 51 -3.439 -4.544 -7.581 1.00 35.51 H new ATOM 0 HB3 GLU A 51 -4.480 -4.405 -6.178 1.00 35.51 H new ATOM 0 HG2 GLU A 51 -3.570 -6.472 -5.773 1.00 13.25 H new ATOM 0 HG3 GLU A 51 -4.993 -6.956 -6.675 1.00 13.25 H new ATOM 775 N PHE A 52 -7.172 -4.162 -6.337 1.00 35.44 N ATOM 776 CA PHE A 52 -8.379 -4.321 -5.532 1.00 40.01 C ATOM 777 C PHE A 52 -9.575 -3.658 -6.210 1.00 21.42 C ATOM 778 O PHE A 52 -10.640 -3.514 -5.611 1.00 62.51 O ATOM 779 CB PHE A 52 -8.172 -3.723 -4.139 1.00 45.53 C ATOM 780 CG PHE A 52 -7.011 -4.321 -3.397 1.00 3.30 C ATOM 781 CD1 PHE A 52 -7.162 -5.493 -2.673 1.00 73.13 C ATOM 782 CD2 PHE A 52 -5.767 -3.712 -3.424 1.00 44.45 C ATOM 783 CE1 PHE A 52 -6.096 -6.044 -1.990 1.00 73.31 C ATOM 784 CE2 PHE A 52 -4.696 -4.259 -2.742 1.00 3.41 C ATOM 785 CZ PHE A 52 -4.860 -5.427 -2.025 1.00 31.20 C ATOM 0 H PHE A 52 -6.642 -3.314 -6.139 1.00 35.44 H new ATOM 0 HA PHE A 52 -8.583 -5.387 -5.435 1.00 40.01 H new ATOM 0 HB2 PHE A 52 -8.018 -2.648 -4.233 1.00 45.53 H new ATOM 0 HB3 PHE A 52 -9.080 -3.865 -3.553 1.00 45.53 H new ATOM 0 HD1 PHE A 52 -8.125 -5.981 -2.643 1.00 73.13 H new ATOM 0 HD2 PHE A 52 -5.632 -2.799 -3.985 1.00 44.45 H new ATOM 0 HE1 PHE A 52 -6.228 -6.957 -1.429 1.00 73.31 H new ATOM 0 HE2 PHE A 52 -3.732 -3.773 -2.770 1.00 3.41 H new ATOM 0 HZ PHE A 52 -4.025 -5.857 -1.493 1.00 31.20 H new ATOM 795 N GLY A 53 -9.390 -3.256 -7.464 1.00 12.14 N ATOM 796 CA GLY A 53 -10.461 -2.613 -8.201 1.00 54.33 C ATOM 797 C GLY A 53 -11.071 -1.451 -7.444 1.00 15.45 C ATOM 798 O GLY A 53 -12.249 -1.137 -7.617 1.00 43.13 O ATOM 0 H GLY A 53 -8.518 -3.364 -7.982 1.00 12.14 H new ATOM 0 HA2 GLY A 53 -10.077 -2.258 -9.157 1.00 54.33 H new ATOM 0 HA3 GLY A 53 -11.237 -3.346 -8.421 1.00 54.33 H new ATOM 802 N ILE A 54 -10.269 -0.810 -6.600 1.00 41.33 N ATOM 803 CA ILE A 54 -10.737 0.323 -5.812 1.00 72.00 C ATOM 804 C ILE A 54 -10.206 1.639 -6.373 1.00 72.41 C ATOM 805 O ILE A 54 -9.531 1.660 -7.401 1.00 71.33 O ATOM 806 CB ILE A 54 -10.311 0.198 -4.338 1.00 14.03 C ATOM 807 CG1 ILE A 54 -8.786 0.178 -4.224 1.00 31.13 C ATOM 808 CG2 ILE A 54 -10.911 -1.055 -3.718 1.00 75.33 C ATOM 809 CD1 ILE A 54 -8.284 0.299 -2.802 1.00 71.42 C ATOM 0 H ILE A 54 -9.292 -1.057 -6.445 1.00 41.33 H new ATOM 0 HA ILE A 54 -11.826 0.319 -5.869 1.00 72.00 H new ATOM 0 HB ILE A 54 -10.685 1.065 -3.793 1.00 14.03 H new ATOM 0 HG12 ILE A 54 -8.410 -0.749 -4.656 1.00 31.13 H new ATOM 0 HG13 ILE A 54 -8.375 0.995 -4.817 1.00 31.13 H new ATOM 0 HG21 ILE A 54 -10.601 -1.130 -2.676 1.00 75.33 H new ATOM 0 HG22 ILE A 54 -11.998 -1.002 -3.770 1.00 75.33 H new ATOM 0 HG23 ILE A 54 -10.564 -1.933 -4.263 1.00 75.33 H new ATOM 0 HD11 ILE A 54 -7.194 0.278 -2.798 1.00 71.42 H new ATOM 0 HD12 ILE A 54 -8.630 1.239 -2.373 1.00 71.42 H new ATOM 0 HD13 ILE A 54 -8.666 -0.533 -2.209 1.00 71.42 H new ATOM 821 N ASN A 55 -10.517 2.736 -5.689 1.00 25.44 N ATOM 822 CA ASN A 55 -10.070 4.055 -6.117 1.00 54.01 C ATOM 823 C ASN A 55 -9.842 4.969 -4.917 1.00 53.23 C ATOM 824 O ASN A 55 -10.654 5.013 -3.993 1.00 73.23 O ATOM 825 CB ASN A 55 -11.098 4.683 -7.062 1.00 22.01 C ATOM 826 CG ASN A 55 -12.416 4.973 -6.371 1.00 10.22 C ATOM 827 OD1 ASN A 55 -12.766 6.130 -6.138 1.00 74.30 O ATOM 828 ND2 ASN A 55 -13.154 3.920 -6.039 1.00 54.33 N ATOM 0 H ASN A 55 -11.077 2.736 -4.836 1.00 25.44 H new ATOM 0 HA ASN A 55 -9.124 3.936 -6.646 1.00 54.01 H new ATOM 0 HB2 ASN A 55 -10.694 5.609 -7.471 1.00 22.01 H new ATOM 0 HB3 ASN A 55 -11.272 4.012 -7.903 1.00 22.01 H new ATOM 0 HD21 ASN A 55 -14.051 4.053 -5.571 1.00 54.33 H new ATOM 0 HD22 ASN A 55 -12.824 2.979 -6.252 1.00 54.33 H new ATOM 835 N VAL A 56 -8.731 5.699 -4.939 1.00 32.52 N ATOM 836 CA VAL A 56 -8.396 6.613 -3.853 1.00 42.03 C ATOM 837 C VAL A 56 -7.701 7.863 -4.382 1.00 40.01 C ATOM 838 O VAL A 56 -6.993 7.813 -5.388 1.00 30.10 O ATOM 839 CB VAL A 56 -7.487 5.936 -2.810 1.00 13.44 C ATOM 840 CG1 VAL A 56 -7.281 6.849 -1.610 1.00 4.11 C ATOM 841 CG2 VAL A 56 -8.073 4.601 -2.379 1.00 62.43 C ATOM 0 H VAL A 56 -8.048 5.675 -5.696 1.00 32.52 H new ATOM 0 HA VAL A 56 -9.334 6.896 -3.377 1.00 42.03 H new ATOM 0 HB VAL A 56 -6.515 5.749 -3.267 1.00 13.44 H new ATOM 0 HG11 VAL A 56 -6.636 6.355 -0.883 1.00 4.11 H new ATOM 0 HG12 VAL A 56 -6.814 7.779 -1.936 1.00 4.11 H new ATOM 0 HG13 VAL A 56 -8.245 7.069 -1.150 1.00 4.11 H new ATOM 0 HG21 VAL A 56 -7.418 4.137 -1.642 1.00 62.43 H new ATOM 0 HG22 VAL A 56 -9.058 4.761 -1.940 1.00 62.43 H new ATOM 0 HG23 VAL A 56 -8.165 3.947 -3.246 1.00 62.43 H new ATOM 851 N ASP A 57 -7.908 8.982 -3.697 1.00 41.14 N ATOM 852 CA ASP A 57 -7.300 10.246 -4.097 1.00 14.12 C ATOM 853 C ASP A 57 -5.986 10.476 -3.356 1.00 52.14 C ATOM 854 O ASP A 57 -5.794 9.979 -2.247 1.00 23.51 O ATOM 855 CB ASP A 57 -8.261 11.406 -3.829 1.00 43.33 C ATOM 856 CG ASP A 57 -8.023 12.582 -4.757 1.00 63.34 C ATOM 857 OD1 ASP A 57 -8.302 12.448 -5.967 1.00 1.22 O ATOM 858 OD2 ASP A 57 -7.558 13.634 -4.273 1.00 43.40 O ATOM 0 H ASP A 57 -8.492 9.040 -2.863 1.00 41.14 H new ATOM 0 HA ASP A 57 -7.090 10.198 -5.165 1.00 14.12 H new ATOM 0 HB2 ASP A 57 -9.287 11.058 -3.945 1.00 43.33 H new ATOM 0 HB3 ASP A 57 -8.150 11.734 -2.796 1.00 43.33 H new ATOM 863 N GLU A 58 -5.086 11.230 -3.978 1.00 40.30 N ATOM 864 CA GLU A 58 -3.789 11.524 -3.377 1.00 74.54 C ATOM 865 C GLU A 58 -3.959 12.229 -2.035 1.00 42.00 C ATOM 866 O GLU A 58 -3.332 11.857 -1.043 1.00 65.31 O ATOM 867 CB GLU A 58 -2.951 12.390 -4.319 1.00 33.20 C ATOM 868 CG GLU A 58 -2.133 11.589 -5.317 1.00 50.35 C ATOM 869 CD GLU A 58 -1.902 12.337 -6.615 1.00 44.54 C ATOM 870 OE1 GLU A 58 -1.031 13.232 -6.637 1.00 64.02 O ATOM 871 OE2 GLU A 58 -2.590 12.027 -7.611 1.00 31.15 O ATOM 0 H GLU A 58 -5.230 11.648 -4.897 1.00 40.30 H new ATOM 0 HA GLU A 58 -3.272 10.579 -3.208 1.00 74.54 H new ATOM 0 HB2 GLU A 58 -3.612 13.065 -4.863 1.00 33.20 H new ATOM 0 HB3 GLU A 58 -2.279 13.011 -3.726 1.00 33.20 H new ATOM 0 HG2 GLU A 58 -1.171 11.335 -4.872 1.00 50.35 H new ATOM 0 HG3 GLU A 58 -2.644 10.650 -5.529 1.00 50.35 H new ATOM 878 N ASP A 59 -4.810 13.248 -2.012 1.00 73.25 N ATOM 879 CA ASP A 59 -5.064 14.006 -0.792 1.00 22.24 C ATOM 880 C ASP A 59 -5.511 13.083 0.338 1.00 51.22 C ATOM 881 O ASP A 59 -5.321 13.388 1.515 1.00 25.24 O ATOM 882 CB ASP A 59 -6.126 15.077 -1.043 1.00 1.12 C ATOM 883 CG ASP A 59 -5.951 16.286 -0.145 1.00 13.45 C ATOM 884 OD1 ASP A 59 -6.296 16.192 1.052 1.00 71.35 O ATOM 885 OD2 ASP A 59 -5.470 17.328 -0.638 1.00 50.14 O ATOM 0 H ASP A 59 -5.336 13.569 -2.825 1.00 73.25 H new ATOM 0 HA ASP A 59 -4.134 14.491 -0.495 1.00 22.24 H new ATOM 0 HB2 ASP A 59 -6.081 15.392 -2.085 1.00 1.12 H new ATOM 0 HB3 ASP A 59 -7.115 14.649 -0.882 1.00 1.12 H new ATOM 890 N LYS A 60 -6.107 11.953 -0.029 1.00 1.42 N ATOM 891 CA LYS A 60 -6.581 10.985 0.953 1.00 74.33 C ATOM 892 C LYS A 60 -5.446 10.075 1.412 1.00 75.54 C ATOM 893 O LYS A 60 -5.482 9.533 2.516 1.00 65.51 O ATOM 894 CB LYS A 60 -7.716 10.144 0.362 1.00 4.33 C ATOM 895 CG LYS A 60 -9.095 10.730 0.603 1.00 55.03 C ATOM 896 CD LYS A 60 -10.154 9.644 0.702 1.00 51.42 C ATOM 897 CE LYS A 60 -11.342 10.099 1.535 1.00 60.20 C ATOM 898 NZ LYS A 60 -12.191 8.952 1.962 1.00 61.43 N ATOM 0 H LYS A 60 -6.273 11.685 -0.999 1.00 1.42 H new ATOM 0 HA LYS A 60 -6.955 11.534 1.817 1.00 74.33 H new ATOM 0 HB2 LYS A 60 -7.558 10.038 -0.711 1.00 4.33 H new ATOM 0 HB3 LYS A 60 -7.676 9.142 0.790 1.00 4.33 H new ATOM 0 HG2 LYS A 60 -9.087 11.316 1.522 1.00 55.03 H new ATOM 0 HG3 LYS A 60 -9.348 11.413 -0.208 1.00 55.03 H new ATOM 0 HD2 LYS A 60 -10.492 9.372 -0.298 1.00 51.42 H new ATOM 0 HD3 LYS A 60 -9.718 8.749 1.146 1.00 51.42 H new ATOM 0 HE2 LYS A 60 -10.985 10.634 2.415 1.00 60.20 H new ATOM 0 HE3 LYS A 60 -11.943 10.801 0.957 1.00 60.20 H new ATOM 0 HZ1 LYS A 60 -12.990 9.303 2.527 1.00 61.43 H new ATOM 0 HZ2 LYS A 60 -12.552 8.456 1.122 1.00 61.43 H new ATOM 0 HZ3 LYS A 60 -11.624 8.295 2.535 1.00 61.43 H new ATOM 912 N ALA A 61 -4.440 9.914 0.559 1.00 42.24 N ATOM 913 CA ALA A 61 -3.293 9.073 0.880 1.00 15.31 C ATOM 914 C ALA A 61 -2.145 9.903 1.446 1.00 73.25 C ATOM 915 O ALA A 61 -0.977 9.567 1.261 1.00 10.13 O ATOM 916 CB ALA A 61 -2.837 8.310 -0.355 1.00 53.13 C ATOM 0 H ALA A 61 -4.396 10.355 -0.360 1.00 42.24 H new ATOM 0 HA ALA A 61 -3.600 8.358 1.643 1.00 15.31 H new ATOM 0 HB1 ALA A 61 -1.980 7.686 -0.101 1.00 53.13 H new ATOM 0 HB2 ALA A 61 -3.651 7.680 -0.715 1.00 53.13 H new ATOM 0 HB3 ALA A 61 -2.553 9.017 -1.135 1.00 53.13 H new ATOM 922 N GLN A 62 -2.489 10.986 2.134 1.00 4.03 N ATOM 923 CA GLN A 62 -1.486 11.864 2.726 1.00 50.21 C ATOM 924 C GLN A 62 -0.933 11.267 4.016 1.00 2.12 C ATOM 925 O GLN A 62 0.272 11.043 4.143 1.00 75.05 O ATOM 926 CB GLN A 62 -2.084 13.244 3.004 1.00 72.23 C ATOM 927 CG GLN A 62 -2.479 14.001 1.746 1.00 65.31 C ATOM 928 CD GLN A 62 -1.290 14.635 1.050 1.00 32.52 C ATOM 929 OE1 GLN A 62 -0.304 14.999 1.689 1.00 24.44 O ATOM 930 NE2 GLN A 62 -1.380 14.770 -0.268 1.00 10.13 N ATOM 0 H GLN A 62 -3.453 11.277 2.296 1.00 4.03 H new ATOM 0 HA GLN A 62 -0.667 11.968 2.015 1.00 50.21 H new ATOM 0 HB2 GLN A 62 -2.962 13.129 3.639 1.00 72.23 H new ATOM 0 HB3 GLN A 62 -1.361 13.838 3.563 1.00 72.23 H new ATOM 0 HG2 GLN A 62 -2.977 13.319 1.057 1.00 65.31 H new ATOM 0 HG3 GLN A 62 -3.200 14.776 2.004 1.00 65.31 H new ATOM 0 HE21 GLN A 62 -2.217 14.454 -0.757 1.00 10.13 H new ATOM 0 HE22 GLN A 62 -0.612 15.190 -0.791 1.00 10.13 H new ATOM 939 N ASP A 63 -1.820 11.012 4.972 1.00 14.43 N ATOM 940 CA ASP A 63 -1.421 10.440 6.253 1.00 53.32 C ATOM 941 C ASP A 63 -0.679 9.123 6.052 1.00 21.23 C ATOM 942 O ASP A 63 0.126 8.719 6.892 1.00 34.43 O ATOM 943 CB ASP A 63 -2.647 10.220 7.141 1.00 40.35 C ATOM 944 CG ASP A 63 -3.237 11.522 7.645 1.00 34.53 C ATOM 945 OD1 ASP A 63 -3.964 12.183 6.874 1.00 43.11 O ATOM 946 OD2 ASP A 63 -2.975 11.878 8.813 1.00 3.44 O ATOM 0 H ASP A 63 -2.820 11.192 4.884 1.00 14.43 H new ATOM 0 HA ASP A 63 -0.748 11.143 6.744 1.00 53.32 H new ATOM 0 HB2 ASP A 63 -3.405 9.674 6.580 1.00 40.35 H new ATOM 0 HB3 ASP A 63 -2.369 9.597 7.991 1.00 40.35 H new ATOM 951 N ILE A 64 -0.956 8.458 4.936 1.00 51.42 N ATOM 952 CA ILE A 64 -0.315 7.186 4.626 1.00 1.31 C ATOM 953 C ILE A 64 1.203 7.294 4.736 1.00 30.35 C ATOM 954 O ILE A 64 1.825 8.127 4.078 1.00 51.42 O ATOM 955 CB ILE A 64 -0.681 6.701 3.211 1.00 72.21 C ATOM 956 CG1 ILE A 64 -2.201 6.593 3.064 1.00 52.14 C ATOM 957 CG2 ILE A 64 -0.020 5.362 2.922 1.00 3.20 C ATOM 958 CD1 ILE A 64 -2.830 5.594 4.009 1.00 70.23 C ATOM 0 H ILE A 64 -1.620 8.779 4.231 1.00 51.42 H new ATOM 0 HA ILE A 64 -0.680 6.463 5.355 1.00 1.31 H new ATOM 0 HB ILE A 64 -0.314 7.429 2.487 1.00 72.21 H new ATOM 0 HG12 ILE A 64 -2.645 7.573 3.236 1.00 52.14 H new ATOM 0 HG13 ILE A 64 -2.440 6.311 2.039 1.00 52.14 H new ATOM 0 HG21 ILE A 64 -0.289 5.033 1.918 1.00 3.20 H new ATOM 0 HG22 ILE A 64 1.063 5.468 2.992 1.00 3.20 H new ATOM 0 HG23 ILE A 64 -0.360 4.624 3.649 1.00 3.20 H new ATOM 0 HD11 ILE A 64 -3.908 5.570 3.849 1.00 70.23 H new ATOM 0 HD12 ILE A 64 -2.414 4.604 3.822 1.00 70.23 H new ATOM 0 HD13 ILE A 64 -2.622 5.886 5.038 1.00 70.23 H new ATOM 970 N SER A 65 1.792 6.445 5.573 1.00 53.33 N ATOM 971 CA SER A 65 3.236 6.446 5.771 1.00 51.41 C ATOM 972 C SER A 65 3.801 5.034 5.659 1.00 63.22 C ATOM 973 O SER A 65 4.796 4.801 4.971 1.00 74.41 O ATOM 974 CB SER A 65 3.584 7.040 7.138 1.00 73.44 C ATOM 975 OG SER A 65 3.691 8.451 7.068 1.00 51.31 O ATOM 0 H SER A 65 1.291 5.748 6.124 1.00 53.33 H new ATOM 0 HA SER A 65 3.684 7.061 4.990 1.00 51.41 H new ATOM 0 HB2 SER A 65 2.818 6.766 7.863 1.00 73.44 H new ATOM 0 HB3 SER A 65 4.524 6.618 7.493 1.00 73.44 H new ATOM 0 HG SER A 65 3.912 8.807 7.954 1.00 51.31 H new ATOM 981 N THR A 66 3.158 4.091 6.341 1.00 25.21 N ATOM 982 CA THR A 66 3.595 2.700 6.321 1.00 3.31 C ATOM 983 C THR A 66 2.631 1.832 5.521 1.00 0.21 C ATOM 984 O THR A 66 1.559 2.286 5.122 1.00 55.32 O ATOM 985 CB THR A 66 3.720 2.129 7.747 1.00 42.43 C ATOM 986 OG1 THR A 66 2.419 1.925 8.308 1.00 64.24 O ATOM 987 CG2 THR A 66 4.521 3.068 8.637 1.00 74.20 C ATOM 0 H THR A 66 2.333 4.265 6.914 1.00 25.21 H new ATOM 0 HA THR A 66 4.575 2.684 5.844 1.00 3.31 H new ATOM 0 HB THR A 66 4.244 1.175 7.689 1.00 42.43 H new ATOM 0 HG1 THR A 66 2.348 1.007 8.644 1.00 64.24 H new ATOM 0 HG21 THR A 66 4.596 2.644 9.638 1.00 74.20 H new ATOM 0 HG22 THR A 66 5.521 3.198 8.222 1.00 74.20 H new ATOM 0 HG23 THR A 66 4.021 4.035 8.689 1.00 74.20 H new ATOM 995 N ILE A 67 3.018 0.582 5.292 1.00 25.21 N ATOM 996 CA ILE A 67 2.187 -0.350 4.541 1.00 12.12 C ATOM 997 C ILE A 67 0.795 -0.463 5.156 1.00 3.20 C ATOM 998 O ILE A 67 -0.212 -0.366 4.457 1.00 71.13 O ATOM 999 CB ILE A 67 2.824 -1.751 4.479 1.00 54.30 C ATOM 1000 CG1 ILE A 67 4.237 -1.666 3.898 1.00 64.24 C ATOM 1001 CG2 ILE A 67 1.960 -2.689 3.651 1.00 42.33 C ATOM 1002 CD1 ILE A 67 4.279 -1.120 2.488 1.00 51.05 C ATOM 0 H ILE A 67 3.903 0.191 5.616 1.00 25.21 H new ATOM 0 HA ILE A 67 2.104 0.046 3.529 1.00 12.12 H new ATOM 0 HB ILE A 67 2.891 -2.150 5.491 1.00 54.30 H new ATOM 0 HG12 ILE A 67 4.848 -1.034 4.542 1.00 64.24 H new ATOM 0 HG13 ILE A 67 4.685 -2.659 3.908 1.00 64.24 H new ATOM 0 HG21 ILE A 67 2.423 -3.675 3.616 1.00 42.33 H new ATOM 0 HG22 ILE A 67 0.972 -2.768 4.104 1.00 42.33 H new ATOM 0 HG23 ILE A 67 1.865 -2.297 2.638 1.00 42.33 H new ATOM 0 HD11 ILE A 67 5.312 -1.088 2.141 1.00 51.05 H new ATOM 0 HD12 ILE A 67 3.695 -1.764 1.831 1.00 51.05 H new ATOM 0 HD13 ILE A 67 3.861 -0.114 2.475 1.00 51.05 H new ATOM 1014 N GLN A 68 0.750 -0.667 6.468 1.00 73.10 N ATOM 1015 CA GLN A 68 -0.518 -0.792 7.177 1.00 4.03 C ATOM 1016 C GLN A 68 -1.436 0.385 6.864 1.00 63.31 C ATOM 1017 O GLN A 68 -2.617 0.201 6.572 1.00 31.03 O ATOM 1018 CB GLN A 68 -0.276 -0.878 8.685 1.00 33.05 C ATOM 1019 CG GLN A 68 -0.203 -2.304 9.210 1.00 14.15 C ATOM 1020 CD GLN A 68 -1.557 -2.838 9.636 1.00 51.31 C ATOM 1021 OE1 GLN A 68 -1.842 -2.960 10.828 1.00 50.10 O ATOM 1022 NE2 GLN A 68 -2.399 -3.161 8.662 1.00 11.41 N ATOM 0 H GLN A 68 1.576 -0.749 7.061 1.00 73.10 H new ATOM 0 HA GLN A 68 -1.005 -1.708 6.841 1.00 4.03 H new ATOM 0 HB2 GLN A 68 0.654 -0.363 8.925 1.00 33.05 H new ATOM 0 HB3 GLN A 68 -1.076 -0.349 9.204 1.00 33.05 H new ATOM 0 HG2 GLN A 68 0.212 -2.951 8.437 1.00 14.15 H new ATOM 0 HG3 GLN A 68 0.481 -2.341 10.058 1.00 14.15 H new ATOM 0 HE21 GLN A 68 -2.121 -3.044 7.688 1.00 11.41 H new ATOM 0 HE22 GLN A 68 -3.324 -3.527 8.888 1.00 11.41 H new ATOM 1031 N GLN A 69 -0.884 1.592 6.926 1.00 14.13 N ATOM 1032 CA GLN A 69 -1.655 2.798 6.650 1.00 40.51 C ATOM 1033 C GLN A 69 -2.356 2.699 5.299 1.00 50.00 C ATOM 1034 O GLN A 69 -3.534 3.032 5.175 1.00 64.45 O ATOM 1035 CB GLN A 69 -0.744 4.027 6.675 1.00 31.15 C ATOM 1036 CG GLN A 69 -0.073 4.259 8.020 1.00 13.05 C ATOM 1037 CD GLN A 69 -1.013 4.866 9.043 1.00 24.34 C ATOM 1038 OE1 GLN A 69 -2.156 5.202 8.732 1.00 4.24 O ATOM 1039 NE2 GLN A 69 -0.536 5.007 10.275 1.00 64.43 N ATOM 0 H GLN A 69 0.093 1.761 7.165 1.00 14.13 H new ATOM 0 HA GLN A 69 -2.414 2.900 7.426 1.00 40.51 H new ATOM 0 HB2 GLN A 69 0.024 3.916 5.909 1.00 31.15 H new ATOM 0 HB3 GLN A 69 -1.329 4.908 6.413 1.00 31.15 H new ATOM 0 HG2 GLN A 69 0.309 3.311 8.400 1.00 13.05 H new ATOM 0 HG3 GLN A 69 0.785 4.917 7.885 1.00 13.05 H new ATOM 0 HE21 GLN A 69 0.418 4.715 10.489 1.00 64.43 H new ATOM 0 HE22 GLN A 69 -1.123 5.407 11.007 1.00 64.43 H new ATOM 1048 N ALA A 70 -1.623 2.239 4.290 1.00 32.05 N ATOM 1049 CA ALA A 70 -2.176 2.095 2.949 1.00 64.31 C ATOM 1050 C ALA A 70 -3.157 0.929 2.883 1.00 53.22 C ATOM 1051 O ALA A 70 -4.068 0.920 2.056 1.00 14.11 O ATOM 1052 CB ALA A 70 -1.057 1.903 1.936 1.00 72.34 C ATOM 0 H ALA A 70 -0.646 1.960 4.376 1.00 32.05 H new ATOM 0 HA ALA A 70 -2.720 3.008 2.706 1.00 64.31 H new ATOM 0 HB1 ALA A 70 -1.483 1.797 0.939 1.00 72.34 H new ATOM 0 HB2 ALA A 70 -0.395 2.768 1.957 1.00 72.34 H new ATOM 0 HB3 ALA A 70 -0.490 1.006 2.186 1.00 72.34 H new ATOM 1058 N ALA A 71 -2.965 -0.051 3.758 1.00 4.23 N ATOM 1059 CA ALA A 71 -3.835 -1.220 3.800 1.00 45.42 C ATOM 1060 C ALA A 71 -5.188 -0.876 4.412 1.00 23.22 C ATOM 1061 O ALA A 71 -6.227 -1.344 3.947 1.00 54.04 O ATOM 1062 CB ALA A 71 -3.170 -2.345 4.581 1.00 52.43 C ATOM 0 H ALA A 71 -2.214 -0.059 4.448 1.00 4.23 H new ATOM 0 HA ALA A 71 -4.004 -1.554 2.776 1.00 45.42 H new ATOM 0 HB1 ALA A 71 -3.831 -3.212 4.604 1.00 52.43 H new ATOM 0 HB2 ALA A 71 -2.231 -2.617 4.099 1.00 52.43 H new ATOM 0 HB3 ALA A 71 -2.971 -2.013 5.600 1.00 52.43 H new ATOM 1068 N ASP A 72 -5.168 -0.057 5.458 1.00 45.22 N ATOM 1069 CA ASP A 72 -6.394 0.350 6.134 1.00 51.14 C ATOM 1070 C ASP A 72 -7.320 1.094 5.177 1.00 71.10 C ATOM 1071 O ASP A 72 -8.536 0.901 5.198 1.00 21.12 O ATOM 1072 CB ASP A 72 -6.069 1.233 7.339 1.00 0.24 C ATOM 1073 CG ASP A 72 -7.287 1.516 8.196 1.00 4.33 C ATOM 1074 OD1 ASP A 72 -8.095 2.386 7.810 1.00 50.54 O ATOM 1075 OD2 ASP A 72 -7.432 0.868 9.254 1.00 71.12 O ATOM 0 H ASP A 72 -4.316 0.338 5.856 1.00 45.22 H new ATOM 0 HA ASP A 72 -6.904 -0.549 6.480 1.00 51.14 H new ATOM 0 HB2 ASP A 72 -5.306 0.746 7.947 1.00 0.24 H new ATOM 0 HB3 ASP A 72 -5.646 2.176 6.991 1.00 0.24 H new ATOM 1080 N VAL A 73 -6.737 1.947 4.341 1.00 75.52 N ATOM 1081 CA VAL A 73 -7.510 2.721 3.376 1.00 33.35 C ATOM 1082 C VAL A 73 -8.134 1.817 2.319 1.00 5.23 C ATOM 1083 O VAL A 73 -9.288 2.002 1.932 1.00 62.21 O ATOM 1084 CB VAL A 73 -6.638 3.782 2.680 1.00 0.11 C ATOM 1085 CG1 VAL A 73 -7.458 4.568 1.668 1.00 61.41 C ATOM 1086 CG2 VAL A 73 -6.009 4.711 3.706 1.00 15.12 C ATOM 0 H VAL A 73 -5.732 2.120 4.312 1.00 75.52 H new ATOM 0 HA VAL A 73 -8.302 3.222 3.934 1.00 33.35 H new ATOM 0 HB VAL A 73 -5.836 3.273 2.145 1.00 0.11 H new ATOM 0 HG11 VAL A 73 -6.825 5.313 1.186 1.00 61.41 H new ATOM 0 HG12 VAL A 73 -7.855 3.888 0.915 1.00 61.41 H new ATOM 0 HG13 VAL A 73 -8.283 5.067 2.177 1.00 61.41 H new ATOM 0 HG21 VAL A 73 -5.396 5.454 3.196 1.00 15.12 H new ATOM 0 HG22 VAL A 73 -6.794 5.214 4.271 1.00 15.12 H new ATOM 0 HG23 VAL A 73 -5.385 4.132 4.387 1.00 15.12 H new ATOM 1096 N ILE A 74 -7.363 0.838 1.856 1.00 32.14 N ATOM 1097 CA ILE A 74 -7.840 -0.096 0.845 1.00 52.34 C ATOM 1098 C ILE A 74 -8.898 -1.033 1.417 1.00 20.04 C ATOM 1099 O ILE A 74 -10.029 -1.077 0.934 1.00 4.02 O ATOM 1100 CB ILE A 74 -6.687 -0.935 0.265 1.00 5.32 C ATOM 1101 CG1 ILE A 74 -5.627 -0.024 -0.358 1.00 62.05 C ATOM 1102 CG2 ILE A 74 -7.215 -1.923 -0.765 1.00 73.20 C ATOM 1103 CD1 ILE A 74 -4.272 -0.683 -0.501 1.00 12.35 C ATOM 0 H ILE A 74 -6.405 0.672 2.166 1.00 32.14 H new ATOM 0 HA ILE A 74 -8.281 0.501 0.047 1.00 52.34 H new ATOM 0 HB ILE A 74 -6.225 -1.498 1.076 1.00 5.32 H new ATOM 0 HG12 ILE A 74 -5.970 0.300 -1.341 1.00 62.05 H new ATOM 0 HG13 ILE A 74 -5.524 0.872 0.255 1.00 62.05 H new ATOM 0 HG21 ILE A 74 -6.387 -2.508 -1.165 1.00 73.20 H new ATOM 0 HG22 ILE A 74 -7.936 -2.590 -0.293 1.00 73.20 H new ATOM 0 HG23 ILE A 74 -7.700 -1.379 -1.575 1.00 73.20 H new ATOM 0 HD11 ILE A 74 -3.571 0.021 -0.949 1.00 12.35 H new ATOM 0 HD12 ILE A 74 -3.907 -0.982 0.482 1.00 12.35 H new ATOM 0 HD13 ILE A 74 -4.361 -1.563 -1.138 1.00 12.35 H new ATOM 1115 N GLU A 75 -8.523 -1.781 2.451 1.00 1.53 N ATOM 1116 CA GLU A 75 -9.441 -2.716 3.089 1.00 4.45 C ATOM 1117 C GLU A 75 -10.733 -2.016 3.498 1.00 30.52 C ATOM 1118 O GLU A 75 -11.799 -2.629 3.532 1.00 21.31 O ATOM 1119 CB GLU A 75 -8.783 -3.353 4.316 1.00 40.44 C ATOM 1120 CG GLU A 75 -8.676 -2.415 5.505 1.00 5.44 C ATOM 1121 CD GLU A 75 -9.927 -2.413 6.361 1.00 13.34 C ATOM 1122 OE1 GLU A 75 -10.543 -3.489 6.514 1.00 4.52 O ATOM 1123 OE2 GLU A 75 -10.292 -1.336 6.879 1.00 44.32 O ATOM 0 H GLU A 75 -7.591 -1.757 2.864 1.00 1.53 H new ATOM 0 HA GLU A 75 -9.684 -3.497 2.368 1.00 4.45 H new ATOM 0 HB2 GLU A 75 -9.355 -4.233 4.609 1.00 40.44 H new ATOM 0 HB3 GLU A 75 -7.785 -3.697 4.045 1.00 40.44 H new ATOM 0 HG2 GLU A 75 -7.822 -2.706 6.117 1.00 5.44 H new ATOM 0 HG3 GLU A 75 -8.483 -1.403 5.149 1.00 5.44 H new ATOM 1130 N GLY A 76 -10.630 -0.728 3.809 1.00 42.13 N ATOM 1131 CA GLY A 76 -11.797 0.034 4.212 1.00 62.13 C ATOM 1132 C GLY A 76 -12.839 0.121 3.115 1.00 75.13 C ATOM 1133 O GLY A 76 -14.037 0.209 3.391 1.00 1.03 O ATOM 0 H GLY A 76 -9.759 -0.198 3.789 1.00 42.13 H new ATOM 0 HA2 GLY A 76 -12.241 -0.426 5.095 1.00 62.13 H new ATOM 0 HA3 GLY A 76 -11.490 1.040 4.498 1.00 62.13 H new ATOM 1137 N LEU A 77 -12.386 0.100 1.867 1.00 50.44 N ATOM 1138 CA LEU A 77 -13.288 0.179 0.723 1.00 72.02 C ATOM 1139 C LEU A 77 -13.925 -1.177 0.438 1.00 50.12 C ATOM 1140 O LEU A 77 -15.102 -1.260 0.084 1.00 75.03 O ATOM 1141 CB LEU A 77 -12.534 0.671 -0.513 1.00 55.24 C ATOM 1142 CG LEU A 77 -11.895 2.056 -0.402 1.00 43.03 C ATOM 1143 CD1 LEU A 77 -10.764 2.204 -1.408 1.00 42.10 C ATOM 1144 CD2 LEU A 77 -12.939 3.143 -0.608 1.00 15.33 C ATOM 0 H LEU A 77 -11.399 0.029 1.621 1.00 50.44 H new ATOM 0 HA LEU A 77 -14.080 0.888 0.964 1.00 72.02 H new ATOM 0 HB2 LEU A 77 -11.751 -0.050 -0.748 1.00 55.24 H new ATOM 0 HB3 LEU A 77 -13.224 0.678 -1.356 1.00 55.24 H new ATOM 0 HG LEU A 77 -11.480 2.164 0.600 1.00 43.03 H new ATOM 0 HD11 LEU A 77 -10.321 3.196 -1.314 1.00 42.10 H new ATOM 0 HD12 LEU A 77 -10.004 1.447 -1.215 1.00 42.10 H new ATOM 0 HD13 LEU A 77 -11.155 2.075 -2.417 1.00 42.10 H new ATOM 0 HD21 LEU A 77 -12.466 4.122 -0.526 1.00 15.33 H new ATOM 0 HD22 LEU A 77 -13.384 3.037 -1.597 1.00 15.33 H new ATOM 0 HD23 LEU A 77 -13.716 3.050 0.151 1.00 15.33 H new ATOM 1156 N LEU A 78 -13.141 -2.238 0.595 1.00 71.32 N ATOM 1157 CA LEU A 78 -13.630 -3.592 0.356 1.00 2.45 C ATOM 1158 C LEU A 78 -14.927 -3.846 1.116 1.00 14.43 C ATOM 1159 O LEU A 78 -15.829 -4.517 0.617 1.00 3.01 O ATOM 1160 CB LEU A 78 -12.573 -4.617 0.773 1.00 32.10 C ATOM 1161 CG LEU A 78 -11.517 -4.959 -0.279 1.00 75.24 C ATOM 1162 CD1 LEU A 78 -12.095 -5.891 -1.332 1.00 55.04 C ATOM 1163 CD2 LEU A 78 -10.978 -3.691 -0.926 1.00 35.13 C ATOM 0 H LEU A 78 -12.165 -2.187 0.886 1.00 71.32 H new ATOM 0 HA LEU A 78 -13.830 -3.696 -0.710 1.00 2.45 H new ATOM 0 HB2 LEU A 78 -12.064 -4.243 1.661 1.00 32.10 H new ATOM 0 HB3 LEU A 78 -13.082 -5.537 1.061 1.00 32.10 H new ATOM 0 HG LEU A 78 -10.691 -5.470 0.216 1.00 75.24 H new ATOM 0 HD11 LEU A 78 -11.329 -6.123 -2.072 1.00 55.04 H new ATOM 0 HD12 LEU A 78 -12.432 -6.812 -0.857 1.00 55.04 H new ATOM 0 HD13 LEU A 78 -12.939 -5.406 -1.823 1.00 55.04 H new ATOM 0 HD21 LEU A 78 -10.228 -3.954 -1.672 1.00 35.13 H new ATOM 0 HD22 LEU A 78 -11.795 -3.152 -1.407 1.00 35.13 H new ATOM 0 HD23 LEU A 78 -10.525 -3.058 -0.163 1.00 35.13 H new ATOM 1175 N GLU A 79 -15.014 -3.300 2.326 1.00 71.34 N ATOM 1176 CA GLU A 79 -16.203 -3.466 3.153 1.00 20.33 C ATOM 1177 C GLU A 79 -17.418 -2.815 2.498 1.00 61.21 C ATOM 1178 O GLU A 79 -18.537 -3.321 2.597 1.00 41.24 O ATOM 1179 CB GLU A 79 -15.975 -2.862 4.541 1.00 41.41 C ATOM 1180 CG GLU A 79 -14.934 -3.603 5.363 1.00 44.15 C ATOM 1181 CD GLU A 79 -15.361 -5.016 5.709 1.00 60.32 C ATOM 1182 OE1 GLU A 79 -16.388 -5.172 6.403 1.00 55.35 O ATOM 1183 OE2 GLU A 79 -14.669 -5.966 5.288 1.00 51.30 O ATOM 0 H GLU A 79 -14.276 -2.740 2.754 1.00 71.34 H new ATOM 0 HA GLU A 79 -16.395 -4.534 3.256 1.00 20.33 H new ATOM 0 HB2 GLU A 79 -15.665 -1.823 4.430 1.00 41.41 H new ATOM 0 HB3 GLU A 79 -16.919 -2.857 5.085 1.00 41.41 H new ATOM 0 HG2 GLU A 79 -13.996 -3.636 4.809 1.00 44.15 H new ATOM 0 HG3 GLU A 79 -14.742 -3.050 6.283 1.00 44.15 H new ATOM 1190 N LYS A 80 -17.191 -1.690 1.829 1.00 65.31 N ATOM 1191 CA LYS A 80 -18.264 -0.970 1.156 1.00 50.35 C ATOM 1192 C LYS A 80 -18.783 -1.761 -0.042 1.00 15.24 C ATOM 1193 O LYS A 80 -19.945 -2.168 -0.072 1.00 44.15 O ATOM 1194 CB LYS A 80 -17.774 0.405 0.698 1.00 53.41 C ATOM 1195 CG LYS A 80 -18.897 1.384 0.401 1.00 42.24 C ATOM 1196 CD LYS A 80 -19.322 2.140 1.647 1.00 12.55 C ATOM 1197 CE LYS A 80 -18.433 3.349 1.896 1.00 3.23 C ATOM 1198 NZ LYS A 80 -18.812 4.071 3.143 1.00 41.34 N ATOM 0 H LYS A 80 -16.272 -1.257 1.739 1.00 65.31 H new ATOM 0 HA LYS A 80 -19.081 -0.840 1.865 1.00 50.35 H new ATOM 0 HB2 LYS A 80 -17.130 0.827 1.469 1.00 53.41 H new ATOM 0 HB3 LYS A 80 -17.163 0.284 -0.196 1.00 53.41 H new ATOM 0 HG2 LYS A 80 -18.572 2.092 -0.362 1.00 42.24 H new ATOM 0 HG3 LYS A 80 -19.752 0.845 -0.008 1.00 42.24 H new ATOM 0 HD2 LYS A 80 -20.357 2.464 1.542 1.00 12.55 H new ATOM 0 HD3 LYS A 80 -19.282 1.474 2.509 1.00 12.55 H new ATOM 0 HE2 LYS A 80 -17.394 3.027 1.965 1.00 3.23 H new ATOM 0 HE3 LYS A 80 -18.501 4.030 1.048 1.00 3.23 H new ATOM 0 HZ1 LYS A 80 -18.182 4.888 3.276 1.00 41.34 H new ATOM 0 HZ2 LYS A 80 -19.796 4.401 3.068 1.00 41.34 H new ATOM 0 HZ3 LYS A 80 -18.723 3.429 3.956 1.00 41.34 H new ATOM 1212 N LYS A 81 -17.916 -1.974 -1.025 1.00 52.03 N ATOM 1213 CA LYS A 81 -18.285 -2.718 -2.224 1.00 21.35 C ATOM 1214 C LYS A 81 -18.902 -4.065 -1.859 1.00 1.25 C ATOM 1215 O LYS A 81 -19.862 -4.509 -2.489 1.00 13.04 O ATOM 1216 CB LYS A 81 -17.059 -2.932 -3.114 1.00 55.41 C ATOM 1217 CG LYS A 81 -15.909 -3.631 -2.409 1.00 52.35 C ATOM 1218 CD LYS A 81 -14.707 -3.788 -3.325 1.00 1.41 C ATOM 1219 CE LYS A 81 -14.795 -5.064 -4.148 1.00 21.20 C ATOM 1220 NZ LYS A 81 -13.650 -5.197 -5.089 1.00 52.55 N ATOM 0 H LYS A 81 -16.952 -1.642 -1.016 1.00 52.03 H new ATOM 0 HA LYS A 81 -19.026 -2.134 -2.770 1.00 21.35 H new ATOM 0 HB2 LYS A 81 -17.351 -3.519 -3.985 1.00 55.41 H new ATOM 0 HB3 LYS A 81 -16.715 -1.966 -3.482 1.00 55.41 H new ATOM 0 HG2 LYS A 81 -15.622 -3.061 -1.525 1.00 52.35 H new ATOM 0 HG3 LYS A 81 -16.235 -4.612 -2.064 1.00 52.35 H new ATOM 0 HD2 LYS A 81 -14.642 -2.928 -3.991 1.00 1.41 H new ATOM 0 HD3 LYS A 81 -13.794 -3.800 -2.730 1.00 1.41 H new ATOM 0 HE2 LYS A 81 -14.819 -5.926 -3.481 1.00 21.20 H new ATOM 0 HE3 LYS A 81 -15.729 -5.070 -4.710 1.00 21.20 H new ATOM 0 HZ1 LYS A 81 -13.747 -6.079 -5.631 1.00 52.55 H new ATOM 0 HZ2 LYS A 81 -13.642 -4.388 -5.743 1.00 52.55 H new ATOM 0 HZ3 LYS A 81 -12.760 -5.217 -4.552 1.00 52.55 H new ATOM 1234 N ALA A 82 -18.346 -4.709 -0.838 1.00 2.43 N ATOM 1235 CA ALA A 82 -18.845 -6.003 -0.388 1.00 43.40 C ATOM 1236 C ALA A 82 -19.593 -5.873 0.933 1.00 12.14 C ATOM 1237 O ALA A 82 -20.587 -6.562 1.165 1.00 22.51 O ATOM 1238 CB ALA A 82 -17.696 -6.992 -0.251 1.00 10.20 C ATOM 0 H ALA A 82 -17.550 -4.356 -0.307 1.00 2.43 H new ATOM 0 HA ALA A 82 -19.544 -6.376 -1.136 1.00 43.40 H new ATOM 0 HB1 ALA A 82 -18.082 -7.954 0.086 1.00 10.20 H new ATOM 0 HB2 ALA A 82 -17.205 -7.116 -1.216 1.00 10.20 H new ATOM 0 HB3 ALA A 82 -16.977 -6.615 0.476 1.00 10.20 H new TER 1244 ALA A 82