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+ -111:sc= 0.105 (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= -0.976 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.934 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -120:sc= -0.566 (180deg=-3.23!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -71:sc= -0.389 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc=0.000792 USER MOD Single : A 46 MET CE :methyl -168:sc= -0.0145 (180deg=-0.231) USER MOD Single : A 47 ASN : amide:sc= -0.773 K(o=-0.77,f=-0.02) USER MOD Single : A 55 ASN : amide:sc= -0.747 K(o=-0.75,f=-0.16) USER MOD Single : A 60 LYS NZ :NH3+ -139:sc= -1.02 (180deg=-1.15) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 69:sc= 0.0356 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.48 USER MOD Single : A 68 GLN : amide:sc= -2.51 K(o=-2.5,f=-0.44) USER MOD Single : A 69 GLN : amide:sc= -0.303 K(o=-0.3,f=-2.9!) 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 -7.293 -3.256 9.256 1.00 0.00 N ATOM 2 CA ALA A 1 -6.836 -4.147 8.197 1.00 71.14 C ATOM 3 C ALA A 1 -6.456 -5.514 8.755 1.00 32.12 C ATOM 4 O ALA A 1 -6.371 -5.698 9.970 1.00 64.35 O ATOM 5 CB ALA A 1 -5.658 -3.530 7.459 1.00 4.13 C ATOM 0 H1 ALA A 1 -8.312 -3.079 9.145 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.116 -3.697 10.181 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.777 -2.355 9.198 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.658 -4.286 7.494 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -5.327 -4.207 6.671 1.00 4.13 H new ATOM 0 HB2 ALA A 1 -5.962 -2.581 7.018 1.00 4.13 H new ATOM 0 HB3 ALA A 1 -4.839 -3.360 8.158 1.00 4.13 H new ATOM 11 N LYS A 2 -6.231 -6.471 7.861 1.00 23.14 N ATOM 12 CA LYS A 2 -5.858 -7.822 8.264 1.00 73.14 C ATOM 13 C LYS A 2 -4.434 -8.147 7.827 1.00 24.31 C ATOM 14 O LYS A 2 -3.853 -7.448 6.997 1.00 21.05 O ATOM 15 CB LYS A 2 -6.832 -8.841 7.666 1.00 51.53 C ATOM 16 CG LYS A 2 -7.125 -8.610 6.193 1.00 64.41 C ATOM 17 CD LYS A 2 -8.423 -7.847 5.996 1.00 54.25 C ATOM 18 CE LYS A 2 -9.620 -8.786 5.954 1.00 21.35 C ATOM 19 NZ LYS A 2 -9.894 -9.275 4.574 1.00 14.31 N ATOM 0 H LYS A 2 -6.300 -6.336 6.852 1.00 23.14 H new ATOM 0 HA LYS A 2 -5.906 -7.876 9.352 1.00 73.14 H new ATOM 0 HB2 LYS A 2 -6.421 -9.842 7.793 1.00 51.53 H new ATOM 0 HB3 LYS A 2 -7.768 -8.807 8.224 1.00 51.53 H new ATOM 0 HG2 LYS A 2 -6.303 -8.055 5.740 1.00 64.41 H new ATOM 0 HG3 LYS A 2 -7.184 -9.569 5.678 1.00 64.41 H new ATOM 0 HD2 LYS A 2 -8.551 -7.129 6.806 1.00 54.25 H new ATOM 0 HD3 LYS A 2 -8.374 -7.276 5.069 1.00 54.25 H new ATOM 0 HE2 LYS A 2 -9.438 -9.636 6.611 1.00 21.35 H new ATOM 0 HE3 LYS A 2 -10.500 -8.270 6.338 1.00 21.35 H new ATOM 0 HZ1 LYS A 2 -10.716 -9.912 4.588 1.00 14.31 H new ATOM 0 HZ2 LYS A 2 -10.093 -8.466 3.952 1.00 14.31 H new ATOM 0 HZ3 LYS A 2 -9.064 -9.790 4.217 1.00 14.31 H new ATOM 33 N LYS A 3 -3.877 -9.214 8.389 1.00 61.22 N ATOM 34 CA LYS A 3 -2.521 -9.635 8.057 1.00 42.23 C ATOM 35 C LYS A 3 -2.434 -10.091 6.603 1.00 40.03 C ATOM 36 O LYS A 3 -1.375 -10.016 5.983 1.00 65.42 O ATOM 37 CB LYS A 3 -2.074 -10.768 8.984 1.00 3.35 C ATOM 38 CG LYS A 3 -2.974 -11.991 8.928 1.00 23.25 C ATOM 39 CD LYS A 3 -3.623 -12.266 10.275 1.00 40.40 C ATOM 40 CE LYS A 3 -2.722 -13.106 11.166 1.00 31.24 C ATOM 41 NZ LYS A 3 -3.049 -14.556 11.078 1.00 14.32 N ATOM 0 H LYS A 3 -4.344 -9.804 9.078 1.00 61.22 H new ATOM 0 HA LYS A 3 -1.859 -8.780 8.193 1.00 42.23 H new ATOM 0 HB2 LYS A 3 -1.058 -11.062 8.720 1.00 3.35 H new ATOM 0 HB3 LYS A 3 -2.043 -10.397 10.008 1.00 3.35 H new ATOM 0 HG2 LYS A 3 -3.747 -11.841 8.174 1.00 23.25 H new ATOM 0 HG3 LYS A 3 -2.392 -12.859 8.619 1.00 23.25 H new ATOM 0 HD2 LYS A 3 -3.849 -11.322 10.771 1.00 40.40 H new ATOM 0 HD3 LYS A 3 -4.571 -12.782 10.125 1.00 40.40 H new ATOM 0 HE2 LYS A 3 -1.682 -12.951 10.880 1.00 31.24 H new ATOM 0 HE3 LYS A 3 -2.821 -12.774 12.199 1.00 31.24 H new ATOM 0 HZ1 LYS A 3 -2.412 -15.094 11.700 1.00 14.32 H new ATOM 0 HZ2 LYS A 3 -4.034 -14.708 11.375 1.00 14.32 H new ATOM 0 HZ3 LYS A 3 -2.929 -14.880 10.097 1.00 14.32 H new ATOM 55 N GLU A 4 -3.557 -10.561 6.066 1.00 24.25 N ATOM 56 CA GLU A 4 -3.605 -11.027 4.686 1.00 11.21 C ATOM 57 C GLU A 4 -3.497 -9.857 3.712 1.00 11.14 C ATOM 58 O GLU A 4 -2.771 -9.924 2.720 1.00 42.35 O ATOM 59 CB GLU A 4 -4.901 -11.799 4.431 1.00 41.25 C ATOM 60 CG GLU A 4 -4.910 -13.192 5.037 1.00 3.32 C ATOM 61 CD GLU A 4 -3.734 -14.034 4.581 1.00 73.11 C ATOM 62 OE1 GLU A 4 -3.295 -13.861 3.424 1.00 60.45 O ATOM 63 OE2 GLU A 4 -3.253 -14.865 5.379 1.00 74.14 O ATOM 0 H GLU A 4 -4.444 -10.629 6.566 1.00 24.25 H new ATOM 0 HA GLU A 4 -2.756 -11.691 4.524 1.00 11.21 H new ATOM 0 HB2 GLU A 4 -5.738 -11.230 4.836 1.00 41.25 H new ATOM 0 HB3 GLU A 4 -5.061 -11.879 3.356 1.00 41.25 H new ATOM 0 HG2 GLU A 4 -4.895 -13.111 6.124 1.00 3.32 H new ATOM 0 HG3 GLU A 4 -5.839 -13.695 4.768 1.00 3.32 H new ATOM 70 N THR A 5 -4.224 -8.783 4.003 1.00 13.03 N ATOM 71 CA THR A 5 -4.213 -7.598 3.155 1.00 42.01 C ATOM 72 C THR A 5 -2.826 -6.967 3.110 1.00 71.42 C ATOM 73 O THR A 5 -2.327 -6.616 2.040 1.00 34.42 O ATOM 74 CB THR A 5 -5.227 -6.547 3.644 1.00 1.51 C ATOM 75 OG1 THR A 5 -6.549 -7.096 3.623 1.00 13.25 O ATOM 76 CG2 THR A 5 -5.176 -5.300 2.773 1.00 63.24 C ATOM 0 H THR A 5 -4.829 -8.710 4.821 1.00 13.03 H new ATOM 0 HA THR A 5 -4.494 -7.924 2.153 1.00 42.01 H new ATOM 0 HB THR A 5 -4.966 -6.269 4.665 1.00 1.51 H new ATOM 0 HG1 THR A 5 -7.198 -6.380 3.461 1.00 13.25 H new ATOM 0 HG21 THR A 5 -5.901 -4.572 3.137 1.00 63.24 H new ATOM 0 HG22 THR A 5 -4.176 -4.868 2.814 1.00 63.24 H new ATOM 0 HG23 THR A 5 -5.415 -5.565 1.743 1.00 63.24 H new ATOM 84 N ILE A 6 -2.208 -6.826 4.278 1.00 63.44 N ATOM 85 CA ILE A 6 -0.876 -6.240 4.370 1.00 31.34 C ATOM 86 C ILE A 6 0.107 -6.958 3.453 1.00 43.31 C ATOM 87 O ILE A 6 0.962 -6.329 2.830 1.00 24.04 O ATOM 88 CB ILE A 6 -0.340 -6.286 5.814 1.00 35.10 C ATOM 89 CG1 ILE A 6 -1.290 -5.546 6.758 1.00 10.52 C ATOM 90 CG2 ILE A 6 1.055 -5.685 5.880 1.00 4.35 C ATOM 91 CD1 ILE A 6 -1.072 -5.877 8.217 1.00 35.23 C ATOM 0 H ILE A 6 -2.608 -7.109 5.173 1.00 63.44 H new ATOM 0 HA ILE A 6 -0.967 -5.200 4.056 1.00 31.34 H new ATOM 0 HB ILE A 6 -0.281 -7.327 6.131 1.00 35.10 H new ATOM 0 HG12 ILE A 6 -1.167 -4.472 6.615 1.00 10.52 H new ATOM 0 HG13 ILE A 6 -2.318 -5.788 6.489 1.00 10.52 H new ATOM 0 HG21 ILE A 6 1.420 -5.725 6.906 1.00 4.35 H new ATOM 0 HG22 ILE A 6 1.726 -6.251 5.234 1.00 4.35 H new ATOM 0 HG23 ILE A 6 1.020 -4.648 5.547 1.00 4.35 H new ATOM 0 HD11 ILE A 6 -1.780 -5.316 8.827 1.00 35.23 H new ATOM 0 HD12 ILE A 6 -1.223 -6.945 8.374 1.00 35.23 H new ATOM 0 HD13 ILE A 6 -0.055 -5.609 8.503 1.00 35.23 H new ATOM 103 N ASP A 7 -0.023 -8.277 3.372 1.00 42.54 N ATOM 104 CA ASP A 7 0.851 -9.081 2.526 1.00 24.42 C ATOM 105 C ASP A 7 0.646 -8.742 1.054 1.00 5.50 C ATOM 106 O ASP A 7 1.606 -8.647 0.287 1.00 23.43 O ATOM 107 CB ASP A 7 0.593 -10.571 2.759 1.00 23.43 C ATOM 108 CG ASP A 7 1.620 -11.451 2.074 1.00 43.10 C ATOM 109 OD1 ASP A 7 2.826 -11.289 2.359 1.00 54.13 O ATOM 110 OD2 ASP A 7 1.218 -12.301 1.254 1.00 64.12 O ATOM 0 H ASP A 7 -0.725 -8.813 3.882 1.00 42.54 H new ATOM 0 HA ASP A 7 1.883 -8.852 2.793 1.00 24.42 H new ATOM 0 HB2 ASP A 7 0.601 -10.775 3.830 1.00 23.43 H new ATOM 0 HB3 ASP A 7 -0.402 -10.826 2.393 1.00 23.43 H new ATOM 115 N LYS A 8 -0.611 -8.561 0.663 1.00 5.43 N ATOM 116 CA LYS A 8 -0.942 -8.231 -0.718 1.00 14.10 C ATOM 117 C LYS A 8 -0.338 -6.889 -1.118 1.00 14.31 C ATOM 118 O LYS A 8 0.356 -6.787 -2.130 1.00 25.33 O ATOM 119 CB LYS A 8 -2.461 -8.194 -0.904 1.00 0.34 C ATOM 120 CG LYS A 8 -3.177 -9.391 -0.303 1.00 72.20 C ATOM 121 CD LYS A 8 -4.368 -9.811 -1.147 1.00 72.45 C ATOM 122 CE LYS A 8 -3.927 -10.505 -2.427 1.00 24.25 C ATOM 123 NZ LYS A 8 -3.549 -11.925 -2.186 1.00 42.41 N ATOM 0 H LYS A 8 -1.417 -8.637 1.283 1.00 5.43 H new ATOM 0 HA LYS A 8 -0.521 -9.004 -1.361 1.00 14.10 H new ATOM 0 HB2 LYS A 8 -2.852 -7.283 -0.451 1.00 0.34 H new ATOM 0 HB3 LYS A 8 -2.687 -8.143 -1.969 1.00 0.34 H new ATOM 0 HG2 LYS A 8 -2.481 -10.225 -0.214 1.00 72.20 H new ATOM 0 HG3 LYS A 8 -3.512 -9.147 0.705 1.00 72.20 H new ATOM 0 HD2 LYS A 8 -5.006 -10.480 -0.570 1.00 72.45 H new ATOM 0 HD3 LYS A 8 -4.967 -8.935 -1.395 1.00 72.45 H new ATOM 0 HE2 LYS A 8 -4.733 -10.463 -3.159 1.00 24.25 H new ATOM 0 HE3 LYS A 8 -3.079 -9.971 -2.856 1.00 24.25 H new ATOM 0 HZ1 LYS A 8 -3.255 -12.363 -3.082 1.00 42.41 H new ATOM 0 HZ2 LYS A 8 -2.763 -11.964 -1.507 1.00 42.41 H new ATOM 0 HZ3 LYS A 8 -4.366 -12.441 -1.801 1.00 42.41 H new ATOM 137 N VAL A 9 -0.605 -5.862 -0.318 1.00 61.11 N ATOM 138 CA VAL A 9 -0.085 -4.527 -0.586 1.00 41.43 C ATOM 139 C VAL A 9 1.439 -4.524 -0.602 1.00 3.42 C ATOM 140 O VAL A 9 2.060 -4.055 -1.556 1.00 2.33 O ATOM 141 CB VAL A 9 -0.580 -3.511 0.459 1.00 31.25 C ATOM 142 CG1 VAL A 9 -0.079 -2.114 0.124 1.00 14.35 C ATOM 143 CG2 VAL A 9 -2.098 -3.536 0.550 1.00 24.13 C ATOM 0 H VAL A 9 -1.179 -5.929 0.522 1.00 61.11 H new ATOM 0 HA VAL A 9 -0.456 -4.234 -1.568 1.00 41.43 H new ATOM 0 HB VAL A 9 -0.177 -3.791 1.432 1.00 31.25 H new ATOM 0 HG11 VAL A 9 -0.439 -1.409 0.873 1.00 14.35 H new ATOM 0 HG12 VAL A 9 1.011 -2.111 0.116 1.00 14.35 H new ATOM 0 HG13 VAL A 9 -0.450 -1.820 -0.858 1.00 14.35 H new ATOM 0 HG21 VAL A 9 -2.430 -2.811 1.294 1.00 24.13 H new ATOM 0 HG22 VAL A 9 -2.525 -3.282 -0.420 1.00 24.13 H new ATOM 0 HG23 VAL A 9 -2.429 -4.533 0.842 1.00 24.13 H new ATOM 153 N SER A 10 2.037 -5.052 0.462 1.00 3.43 N ATOM 154 CA SER A 10 3.490 -5.107 0.573 1.00 23.13 C ATOM 155 C SER A 10 4.103 -5.779 -0.652 1.00 42.21 C ATOM 156 O SER A 10 5.157 -5.366 -1.138 1.00 51.11 O ATOM 157 CB SER A 10 3.898 -5.861 1.840 1.00 72.42 C ATOM 158 OG SER A 10 4.073 -4.972 2.929 1.00 2.14 O ATOM 0 H SER A 10 1.538 -5.447 1.259 1.00 3.43 H new ATOM 0 HA SER A 10 3.864 -4.085 0.631 1.00 23.13 H new ATOM 0 HB2 SER A 10 3.136 -6.600 2.089 1.00 72.42 H new ATOM 0 HB3 SER A 10 4.824 -6.407 1.660 1.00 72.42 H new ATOM 0 HG SER A 10 4.332 -5.479 3.727 1.00 2.14 H new ATOM 164 N ASP A 11 3.436 -6.816 -1.146 1.00 40.34 N ATOM 165 CA ASP A 11 3.914 -7.545 -2.315 1.00 30.41 C ATOM 166 C ASP A 11 4.029 -6.621 -3.523 1.00 61.22 C ATOM 167 O ASP A 11 5.006 -6.678 -4.269 1.00 63.12 O ATOM 168 CB ASP A 11 2.974 -8.709 -2.635 1.00 12.42 C ATOM 169 CG ASP A 11 3.414 -10.005 -1.982 1.00 32.33 C ATOM 170 OD1 ASP A 11 4.638 -10.225 -1.865 1.00 12.12 O ATOM 171 OD2 ASP A 11 2.534 -10.797 -1.587 1.00 63.34 O ATOM 0 H ASP A 11 2.563 -7.171 -0.755 1.00 40.34 H new ATOM 0 HA ASP A 11 4.904 -7.939 -2.087 1.00 30.41 H new ATOM 0 HB2 ASP A 11 1.967 -8.461 -2.301 1.00 12.42 H new ATOM 0 HB3 ASP A 11 2.927 -8.848 -3.715 1.00 12.42 H new ATOM 176 N ILE A 12 3.025 -5.771 -3.710 1.00 35.40 N ATOM 177 CA ILE A 12 3.013 -4.835 -4.827 1.00 60.41 C ATOM 178 C ILE A 12 4.000 -3.695 -4.599 1.00 23.43 C ATOM 179 O ILE A 12 4.759 -3.327 -5.495 1.00 73.31 O ATOM 180 CB ILE A 12 1.609 -4.246 -5.053 1.00 55.44 C ATOM 181 CG1 ILE A 12 0.600 -5.365 -5.321 1.00 52.04 C ATOM 182 CG2 ILE A 12 1.630 -3.257 -6.210 1.00 32.44 C ATOM 183 CD1 ILE A 12 -0.694 -5.208 -4.552 1.00 22.51 C ATOM 0 H ILE A 12 2.209 -5.711 -3.102 1.00 35.40 H new ATOM 0 HA ILE A 12 3.309 -5.397 -5.713 1.00 60.41 H new ATOM 0 HB ILE A 12 1.304 -3.715 -4.151 1.00 55.44 H new ATOM 0 HG12 ILE A 12 0.378 -5.395 -6.388 1.00 52.04 H new ATOM 0 HG13 ILE A 12 1.053 -6.322 -5.062 1.00 52.04 H new ATOM 0 HG21 ILE A 12 0.630 -2.849 -6.358 1.00 32.44 H new ATOM 0 HG22 ILE A 12 2.323 -2.447 -5.983 1.00 32.44 H new ATOM 0 HG23 ILE A 12 1.952 -3.766 -7.118 1.00 32.44 H new ATOM 0 HD11 ILE A 12 -1.362 -6.036 -4.790 1.00 22.51 H new ATOM 0 HD12 ILE A 12 -0.484 -5.208 -3.482 1.00 22.51 H new ATOM 0 HD13 ILE A 12 -1.170 -4.267 -4.828 1.00 22.51 H new ATOM 195 N VAL A 13 3.986 -3.141 -3.391 1.00 55.10 N ATOM 196 CA VAL A 13 4.881 -2.044 -3.043 1.00 35.23 C ATOM 197 C VAL A 13 6.341 -2.465 -3.168 1.00 52.42 C ATOM 198 O VAL A 13 7.112 -1.857 -3.911 1.00 55.21 O ATOM 199 CB VAL A 13 4.624 -1.544 -1.609 1.00 31.44 C ATOM 200 CG1 VAL A 13 5.431 -0.285 -1.329 1.00 4.21 C ATOM 201 CG2 VAL A 13 3.139 -1.295 -1.388 1.00 45.34 C ATOM 0 H VAL A 13 3.365 -3.434 -2.637 1.00 55.10 H new ATOM 0 HA VAL A 13 4.678 -1.235 -3.745 1.00 35.23 H new ATOM 0 HB VAL A 13 4.947 -2.317 -0.911 1.00 31.44 H new ATOM 0 HG11 VAL A 13 5.236 0.053 -0.311 1.00 4.21 H new ATOM 0 HG12 VAL A 13 6.493 -0.501 -1.443 1.00 4.21 H new ATOM 0 HG13 VAL A 13 5.142 0.496 -2.032 1.00 4.21 H new ATOM 0 HG21 VAL A 13 2.977 -0.942 -0.369 1.00 45.34 H new ATOM 0 HG22 VAL A 13 2.787 -0.542 -2.093 1.00 45.34 H new ATOM 0 HG23 VAL A 13 2.588 -2.222 -1.543 1.00 45.34 H new ATOM 211 N LYS A 14 6.714 -3.510 -2.438 1.00 23.13 N ATOM 212 CA LYS A 14 8.082 -4.016 -2.468 1.00 53.24 C ATOM 213 C LYS A 14 8.520 -4.311 -3.899 1.00 24.23 C ATOM 214 O LYS A 14 9.696 -4.174 -4.236 1.00 41.14 O ATOM 215 CB LYS A 14 8.197 -5.282 -1.617 1.00 23.35 C ATOM 216 CG LYS A 14 7.574 -6.508 -2.260 1.00 45.33 C ATOM 217 CD LYS A 14 7.359 -7.621 -1.249 1.00 1.23 C ATOM 218 CE LYS A 14 8.673 -8.080 -0.637 1.00 44.04 C ATOM 219 NZ LYS A 14 8.617 -9.504 -0.207 1.00 61.43 N ATOM 0 H LYS A 14 6.088 -4.024 -1.818 1.00 23.13 H new ATOM 0 HA LYS A 14 8.737 -3.248 -2.057 1.00 53.24 H new ATOM 0 HB2 LYS A 14 9.250 -5.482 -1.419 1.00 23.35 H new ATOM 0 HB3 LYS A 14 7.720 -5.106 -0.653 1.00 23.35 H new ATOM 0 HG2 LYS A 14 6.620 -6.237 -2.712 1.00 45.33 H new ATOM 0 HG3 LYS A 14 8.218 -6.865 -3.064 1.00 45.33 H new ATOM 0 HD2 LYS A 14 6.691 -7.274 -0.461 1.00 1.23 H new ATOM 0 HD3 LYS A 14 6.868 -8.465 -1.734 1.00 1.23 H new ATOM 0 HE2 LYS A 14 9.476 -7.951 -1.363 1.00 44.04 H new ATOM 0 HE3 LYS A 14 8.914 -7.451 0.220 1.00 44.04 H new ATOM 0 HZ1 LYS A 14 9.532 -9.779 0.205 1.00 61.43 H new ATOM 0 HZ2 LYS A 14 7.868 -9.623 0.504 1.00 61.43 H new ATOM 0 HZ3 LYS A 14 8.413 -10.107 -1.029 1.00 61.43 H new ATOM 233 N GLU A 15 7.569 -4.714 -4.735 1.00 34.41 N ATOM 234 CA GLU A 15 7.860 -5.026 -6.128 1.00 72.23 C ATOM 235 C GLU A 15 8.231 -3.765 -6.903 1.00 63.51 C ATOM 236 O GLU A 15 9.013 -3.814 -7.854 1.00 33.22 O ATOM 237 CB GLU A 15 6.654 -5.704 -6.784 1.00 64.14 C ATOM 238 CG GLU A 15 6.915 -6.163 -8.209 1.00 33.40 C ATOM 239 CD GLU A 15 8.096 -7.109 -8.310 1.00 65.34 C ATOM 240 OE1 GLU A 15 8.045 -8.190 -7.685 1.00 2.12 O ATOM 241 OE2 GLU A 15 9.070 -6.770 -9.014 1.00 72.01 O ATOM 0 H GLU A 15 6.591 -4.832 -4.472 1.00 34.41 H new ATOM 0 HA GLU A 15 8.710 -5.708 -6.151 1.00 72.23 H new ATOM 0 HB2 GLU A 15 6.359 -6.564 -6.182 1.00 64.14 H new ATOM 0 HB3 GLU A 15 5.813 -5.011 -6.783 1.00 64.14 H new ATOM 0 HG2 GLU A 15 6.024 -6.657 -8.596 1.00 33.40 H new ATOM 0 HG3 GLU A 15 7.096 -5.293 -8.840 1.00 33.40 H new ATOM 248 N LYS A 16 7.666 -2.636 -6.490 1.00 72.43 N ATOM 249 CA LYS A 16 7.937 -1.361 -7.143 1.00 34.45 C ATOM 250 C LYS A 16 9.241 -0.756 -6.632 1.00 2.53 C ATOM 251 O LYS A 16 9.884 0.034 -7.326 1.00 54.22 O ATOM 252 CB LYS A 16 6.781 -0.386 -6.903 1.00 71.33 C ATOM 253 CG LYS A 16 5.442 -0.898 -7.404 1.00 53.43 C ATOM 254 CD LYS A 16 5.259 -0.622 -8.887 1.00 43.23 C ATOM 255 CE LYS A 16 4.826 0.814 -9.138 1.00 14.12 C ATOM 256 NZ LYS A 16 5.989 1.709 -9.388 1.00 60.11 N ATOM 0 H LYS A 16 7.017 -2.578 -5.705 1.00 72.43 H new ATOM 0 HA LYS A 16 8.035 -1.542 -8.213 1.00 34.45 H new ATOM 0 HB2 LYS A 16 6.706 -0.180 -5.835 1.00 71.33 H new ATOM 0 HB3 LYS A 16 7.006 0.560 -7.395 1.00 71.33 H new ATOM 0 HG2 LYS A 16 5.370 -1.970 -7.221 1.00 53.43 H new ATOM 0 HG3 LYS A 16 4.637 -0.424 -6.843 1.00 53.43 H new ATOM 0 HD2 LYS A 16 6.193 -0.818 -9.413 1.00 43.23 H new ATOM 0 HD3 LYS A 16 4.514 -1.304 -9.296 1.00 43.23 H new ATOM 0 HE2 LYS A 16 4.153 0.846 -9.995 1.00 14.12 H new ATOM 0 HE3 LYS A 16 4.265 1.180 -8.278 1.00 14.12 H new ATOM 0 HZ1 LYS A 16 6.010 2.460 -8.669 1.00 60.11 H new ATOM 0 HZ2 LYS A 16 6.869 1.157 -9.338 1.00 60.11 H new ATOM 0 HZ3 LYS A 16 5.901 2.136 -10.332 1.00 60.11 H new ATOM 270 N LEU A 17 9.626 -1.130 -5.417 1.00 44.32 N ATOM 271 CA LEU A 17 10.856 -0.624 -4.815 1.00 52.22 C ATOM 272 C LEU A 17 12.015 -1.586 -5.057 1.00 1.34 C ATOM 273 O LEU A 17 13.175 -1.243 -4.828 1.00 44.11 O ATOM 274 CB LEU A 17 10.660 -0.411 -3.313 1.00 53.51 C ATOM 275 CG LEU A 17 9.449 0.431 -2.908 1.00 30.24 C ATOM 276 CD1 LEU A 17 9.441 0.663 -1.405 1.00 3.44 C ATOM 277 CD2 LEU A 17 9.446 1.756 -3.654 1.00 42.30 C ATOM 0 H LEU A 17 9.105 -1.781 -4.829 1.00 44.32 H new ATOM 0 HA LEU A 17 11.096 0.331 -5.283 1.00 52.22 H new ATOM 0 HB2 LEU A 17 10.575 -1.387 -2.836 1.00 53.51 H new ATOM 0 HB3 LEU A 17 11.557 0.062 -2.913 1.00 53.51 H new ATOM 0 HG LEU A 17 8.545 -0.115 -3.177 1.00 30.24 H new ATOM 0 HD11 LEU A 17 8.573 1.264 -1.134 1.00 3.44 H new ATOM 0 HD12 LEU A 17 9.394 -0.296 -0.889 1.00 3.44 H new ATOM 0 HD13 LEU A 17 10.351 1.188 -1.113 1.00 3.44 H new ATOM 0 HD21 LEU A 17 8.577 2.341 -3.353 1.00 42.30 H new ATOM 0 HD22 LEU A 17 10.355 2.309 -3.418 1.00 42.30 H new ATOM 0 HD23 LEU A 17 9.403 1.569 -4.727 1.00 42.30 H new ATOM 289 N ALA A 18 11.694 -2.788 -5.522 1.00 14.51 N ATOM 290 CA ALA A 18 12.709 -3.796 -5.799 1.00 21.31 C ATOM 291 C ALA A 18 12.081 -5.068 -6.360 1.00 5.13 C ATOM 292 O ALA A 18 10.875 -5.123 -6.600 1.00 75.12 O ATOM 293 CB ALA A 18 13.500 -4.109 -4.537 1.00 24.53 C ATOM 0 H ALA A 18 10.738 -3.088 -5.715 1.00 14.51 H new ATOM 0 HA ALA A 18 13.388 -3.395 -6.551 1.00 21.31 H new ATOM 0 HB1 ALA A 18 14.255 -4.864 -4.758 1.00 24.53 H new ATOM 0 HB2 ALA A 18 13.988 -3.202 -4.179 1.00 24.53 H new ATOM 0 HB3 ALA A 18 12.825 -4.486 -3.769 1.00 24.53 H new ATOM 299 N LEU A 19 12.908 -6.087 -6.570 1.00 53.21 N ATOM 300 CA LEU A 19 12.433 -7.358 -7.105 1.00 44.02 C ATOM 301 C LEU A 19 11.598 -8.106 -6.071 1.00 52.43 C ATOM 302 O LEU A 19 10.787 -8.966 -6.416 1.00 10.34 O ATOM 303 CB LEU A 19 13.616 -8.223 -7.543 1.00 63.11 C ATOM 304 CG LEU A 19 14.478 -7.659 -8.674 1.00 11.24 C ATOM 305 CD1 LEU A 19 15.858 -8.297 -8.663 1.00 14.10 C ATOM 306 CD2 LEU A 19 13.799 -7.874 -10.019 1.00 2.24 C ATOM 0 H LEU A 19 13.909 -6.058 -6.378 1.00 53.21 H new ATOM 0 HA LEU A 19 11.804 -7.148 -7.970 1.00 44.02 H new ATOM 0 HB2 LEU A 19 14.255 -8.394 -6.677 1.00 63.11 H new ATOM 0 HB3 LEU A 19 13.234 -9.195 -7.855 1.00 63.11 H new ATOM 0 HG LEU A 19 14.596 -6.587 -8.516 1.00 11.24 H new ATOM 0 HD11 LEU A 19 16.457 -7.883 -9.475 1.00 14.10 H new ATOM 0 HD12 LEU A 19 16.346 -8.091 -7.710 1.00 14.10 H new ATOM 0 HD13 LEU A 19 15.762 -9.375 -8.796 1.00 14.10 H new ATOM 0 HD21 LEU A 19 14.426 -7.467 -10.812 1.00 2.24 H new ATOM 0 HD22 LEU A 19 13.651 -8.941 -10.185 1.00 2.24 H new ATOM 0 HD23 LEU A 19 12.833 -7.368 -10.024 1.00 2.24 H new ATOM 318 N GLY A 20 11.799 -7.772 -4.800 1.00 24.14 N ATOM 319 CA GLY A 20 11.057 -8.419 -3.735 1.00 55.14 C ATOM 320 C GLY A 20 11.889 -9.440 -2.985 1.00 32.42 C ATOM 321 O GLY A 20 11.554 -9.820 -1.863 1.00 10.14 O ATOM 0 H GLY A 20 12.464 -7.064 -4.489 1.00 24.14 H new ATOM 0 HA2 GLY A 20 10.698 -7.664 -3.036 1.00 55.14 H new ATOM 0 HA3 GLY A 20 10.178 -8.909 -4.154 1.00 55.14 H new ATOM 325 N ALA A 21 12.977 -9.885 -3.604 1.00 55.32 N ATOM 326 CA ALA A 21 13.859 -10.868 -2.988 1.00 31.14 C ATOM 327 C ALA A 21 15.038 -10.188 -2.297 1.00 75.44 C ATOM 328 O ALA A 21 15.622 -10.738 -1.362 1.00 45.35 O ATOM 329 CB ALA A 21 14.356 -11.859 -4.029 1.00 74.35 C ATOM 0 H ALA A 21 13.269 -9.580 -4.533 1.00 55.32 H new ATOM 0 HA ALA A 21 13.289 -11.409 -2.233 1.00 31.14 H new ATOM 0 HB1 ALA A 21 15.014 -12.587 -3.554 1.00 74.35 H new ATOM 0 HB2 ALA A 21 13.506 -12.375 -4.475 1.00 74.35 H new ATOM 0 HB3 ALA A 21 14.905 -11.326 -4.805 1.00 74.35 H new ATOM 335 N ASP A 22 15.382 -8.993 -2.762 1.00 54.15 N ATOM 336 CA ASP A 22 16.490 -8.239 -2.188 1.00 43.42 C ATOM 337 C ASP A 22 15.978 -7.075 -1.346 1.00 74.21 C ATOM 338 O ASP A 22 16.738 -6.182 -0.975 1.00 1.34 O ATOM 339 CB ASP A 22 17.407 -7.718 -3.296 1.00 50.02 C ATOM 340 CG ASP A 22 18.832 -7.514 -2.820 1.00 14.24 C ATOM 341 OD1 ASP A 22 19.073 -6.545 -2.070 1.00 22.51 O ATOM 342 OD2 ASP A 22 19.707 -8.322 -3.197 1.00 54.43 O ATOM 0 H ASP A 22 14.909 -8.525 -3.535 1.00 54.15 H new ATOM 0 HA ASP A 22 17.057 -8.909 -1.542 1.00 43.42 H new ATOM 0 HB2 ASP A 22 17.402 -8.422 -4.128 1.00 50.02 H new ATOM 0 HB3 ASP A 22 17.015 -6.774 -3.674 1.00 50.02 H new ATOM 347 N VAL A 23 14.683 -7.093 -1.047 1.00 13.03 N ATOM 348 CA VAL A 23 14.068 -6.040 -0.248 1.00 21.03 C ATOM 349 C VAL A 23 13.225 -6.626 0.879 1.00 45.11 C ATOM 350 O VAL A 23 12.698 -7.733 0.764 1.00 10.44 O ATOM 351 CB VAL A 23 13.182 -5.124 -1.113 1.00 3.45 C ATOM 352 CG1 VAL A 23 11.969 -5.883 -1.627 1.00 13.04 C ATOM 353 CG2 VAL A 23 12.759 -3.894 -0.324 1.00 13.31 C ATOM 0 H VAL A 23 14.039 -7.826 -1.346 1.00 13.03 H new ATOM 0 HA VAL A 23 14.880 -5.451 0.178 1.00 21.03 H new ATOM 0 HB VAL A 23 13.763 -4.793 -1.974 1.00 3.45 H new ATOM 0 HG11 VAL A 23 11.355 -5.219 -2.236 1.00 13.04 H new ATOM 0 HG12 VAL A 23 12.298 -6.729 -2.231 1.00 13.04 H new ATOM 0 HG13 VAL A 23 11.383 -6.246 -0.783 1.00 13.04 H new ATOM 0 HG21 VAL A 23 12.134 -3.258 -0.950 1.00 13.31 H new ATOM 0 HG22 VAL A 23 12.196 -4.203 0.557 1.00 13.31 H new ATOM 0 HG23 VAL A 23 13.644 -3.339 -0.013 1.00 13.31 H new ATOM 363 N VAL A 24 13.100 -5.876 1.969 1.00 23.13 N ATOM 364 CA VAL A 24 12.320 -6.319 3.118 1.00 55.10 C ATOM 365 C VAL A 24 11.297 -5.265 3.527 1.00 20.44 C ATOM 366 O VAL A 24 11.653 -4.215 4.063 1.00 71.03 O ATOM 367 CB VAL A 24 13.225 -6.637 4.323 1.00 24.23 C ATOM 368 CG1 VAL A 24 12.395 -7.127 5.500 1.00 61.41 C ATOM 369 CG2 VAL A 24 14.280 -7.663 3.939 1.00 22.55 C ATOM 0 H VAL A 24 13.530 -4.958 2.080 1.00 23.13 H new ATOM 0 HA VAL A 24 11.800 -7.228 2.816 1.00 55.10 H new ATOM 0 HB VAL A 24 13.734 -5.722 4.625 1.00 24.23 H new ATOM 0 HG11 VAL A 24 13.052 -7.347 6.342 1.00 61.41 H new ATOM 0 HG12 VAL A 24 11.681 -6.355 5.788 1.00 61.41 H new ATOM 0 HG13 VAL A 24 11.857 -8.031 5.214 1.00 61.41 H new ATOM 0 HG21 VAL A 24 14.911 -7.876 4.802 1.00 22.55 H new ATOM 0 HG22 VAL A 24 13.792 -8.581 3.610 1.00 22.55 H new ATOM 0 HG23 VAL A 24 14.894 -7.268 3.129 1.00 22.55 H new ATOM 379 N VAL A 25 10.025 -5.553 3.275 1.00 63.01 N ATOM 380 CA VAL A 25 8.949 -4.631 3.619 1.00 24.20 C ATOM 381 C VAL A 25 8.045 -5.219 4.696 1.00 53.31 C ATOM 382 O VAL A 25 7.785 -6.422 4.716 1.00 72.14 O ATOM 383 CB VAL A 25 8.098 -4.277 2.385 1.00 12.04 C ATOM 384 CG1 VAL A 25 7.001 -3.291 2.758 1.00 31.12 C ATOM 385 CG2 VAL A 25 8.974 -3.715 1.276 1.00 21.50 C ATOM 0 H VAL A 25 9.714 -6.418 2.833 1.00 63.01 H new ATOM 0 HA VAL A 25 9.418 -3.724 3.999 1.00 24.20 H new ATOM 0 HB VAL A 25 7.626 -5.189 2.018 1.00 12.04 H new ATOM 0 HG11 VAL A 25 6.410 -3.053 1.874 1.00 31.12 H new ATOM 0 HG12 VAL A 25 6.356 -3.734 3.517 1.00 31.12 H new ATOM 0 HG13 VAL A 25 7.450 -2.379 3.151 1.00 31.12 H new ATOM 0 HG21 VAL A 25 8.356 -3.471 0.412 1.00 21.50 H new ATOM 0 HG22 VAL A 25 9.476 -2.814 1.630 1.00 21.50 H new ATOM 0 HG23 VAL A 25 9.720 -4.457 0.990 1.00 21.50 H new ATOM 395 N THR A 26 7.565 -4.361 5.591 1.00 70.42 N ATOM 396 CA THR A 26 6.689 -4.796 6.673 1.00 4.42 C ATOM 397 C THR A 26 5.677 -3.713 7.028 1.00 54.24 C ATOM 398 O THR A 26 5.715 -2.611 6.482 1.00 63.13 O ATOM 399 CB THR A 26 7.494 -5.164 7.934 1.00 60.22 C ATOM 400 OG1 THR A 26 8.686 -4.373 8.003 1.00 54.53 O ATOM 401 CG2 THR A 26 7.859 -6.641 7.930 1.00 72.22 C ATOM 0 H THR A 26 7.768 -3.361 5.588 1.00 70.42 H new ATOM 0 HA THR A 26 6.161 -5.681 6.317 1.00 4.42 H new ATOM 0 HB THR A 26 6.873 -4.961 8.807 1.00 60.22 H new ATOM 0 HG1 THR A 26 9.191 -4.612 8.808 1.00 54.53 H new ATOM 0 HG21 THR A 26 8.427 -6.878 8.830 1.00 72.22 H new ATOM 0 HG22 THR A 26 6.949 -7.241 7.907 1.00 72.22 H new ATOM 0 HG23 THR A 26 8.463 -6.864 7.050 1.00 72.22 H new ATOM 409 N ALA A 27 4.772 -4.035 7.947 1.00 41.43 N ATOM 410 CA ALA A 27 3.750 -3.088 8.377 1.00 11.50 C ATOM 411 C ALA A 27 4.373 -1.902 9.104 1.00 0.33 C ATOM 412 O ALA A 27 3.800 -0.812 9.139 1.00 11.12 O ATOM 413 CB ALA A 27 2.730 -3.781 9.268 1.00 62.10 C ATOM 0 H ALA A 27 4.726 -4.944 8.408 1.00 41.43 H new ATOM 0 HA ALA A 27 3.242 -2.710 7.490 1.00 11.50 H new ATOM 0 HB1 ALA A 27 1.973 -3.062 9.582 1.00 62.10 H new ATOM 0 HB2 ALA A 27 2.254 -4.591 8.715 1.00 62.10 H new ATOM 0 HB3 ALA A 27 3.231 -4.187 10.147 1.00 62.10 H new ATOM 419 N ASP A 28 5.548 -2.119 9.685 1.00 72.44 N ATOM 420 CA ASP A 28 6.248 -1.068 10.412 1.00 31.03 C ATOM 421 C ASP A 28 7.122 -0.245 9.470 1.00 53.21 C ATOM 422 O ASP A 28 7.498 0.884 9.785 1.00 44.05 O ATOM 423 CB ASP A 28 7.106 -1.672 11.525 1.00 44.52 C ATOM 424 CG ASP A 28 7.306 -0.716 12.684 1.00 33.32 C ATOM 425 OD1 ASP A 28 6.306 -0.125 13.146 1.00 42.04 O ATOM 426 OD2 ASP A 28 8.461 -0.559 13.132 1.00 10.55 O ATOM 0 H ASP A 28 6.036 -3.015 9.666 1.00 72.44 H new ATOM 0 HA ASP A 28 5.502 -0.409 10.856 1.00 31.03 H new ATOM 0 HB2 ASP A 28 6.635 -2.585 11.888 1.00 44.52 H new ATOM 0 HB3 ASP A 28 8.077 -1.954 11.119 1.00 44.52 H new ATOM 431 N SER A 29 7.439 -0.819 8.313 1.00 11.34 N ATOM 432 CA SER A 29 8.272 -0.139 7.327 1.00 63.55 C ATOM 433 C SER A 29 7.529 1.041 6.709 1.00 64.54 C ATOM 434 O SER A 29 6.342 0.946 6.398 1.00 1.23 O ATOM 435 CB SER A 29 8.701 -1.117 6.232 1.00 64.42 C ATOM 436 OG SER A 29 7.767 -1.133 5.167 1.00 54.01 O ATOM 0 H SER A 29 7.132 -1.751 8.036 1.00 11.34 H new ATOM 0 HA SER A 29 9.159 0.240 7.835 1.00 63.55 H new ATOM 0 HB2 SER A 29 9.684 -0.836 5.854 1.00 64.42 H new ATOM 0 HB3 SER A 29 8.796 -2.119 6.652 1.00 64.42 H new ATOM 0 HG SER A 29 6.944 -1.578 5.460 1.00 54.01 H new ATOM 442 N GLU A 30 8.237 2.152 6.533 1.00 62.42 N ATOM 443 CA GLU A 30 7.645 3.351 5.952 1.00 62.04 C ATOM 444 C GLU A 30 8.019 3.483 4.479 1.00 45.40 C ATOM 445 O GLU A 30 9.170 3.268 4.096 1.00 74.44 O ATOM 446 CB GLU A 30 8.101 4.594 6.719 1.00 42.51 C ATOM 447 CG GLU A 30 7.943 4.472 8.225 1.00 45.32 C ATOM 448 CD GLU A 30 8.505 5.668 8.969 1.00 61.51 C ATOM 449 OE1 GLU A 30 8.375 6.799 8.457 1.00 11.11 O ATOM 450 OE2 GLU A 30 9.076 5.473 10.062 1.00 74.43 O ATOM 0 H GLU A 30 9.221 2.247 6.784 1.00 62.42 H new ATOM 0 HA GLU A 30 6.561 3.264 6.027 1.00 62.04 H new ATOM 0 HB2 GLU A 30 9.148 4.790 6.487 1.00 42.51 H new ATOM 0 HB3 GLU A 30 7.530 5.455 6.371 1.00 42.51 H new ATOM 0 HG2 GLU A 30 6.886 4.361 8.468 1.00 45.32 H new ATOM 0 HG3 GLU A 30 8.445 3.567 8.567 1.00 45.32 H new ATOM 457 N PHE A 31 7.038 3.838 3.655 1.00 11.11 N ATOM 458 CA PHE A 31 7.262 3.999 2.223 1.00 72.32 C ATOM 459 C PHE A 31 8.443 4.927 1.957 1.00 20.41 C ATOM 460 O PHE A 31 9.176 4.755 0.984 1.00 60.14 O ATOM 461 CB PHE A 31 6.004 4.548 1.547 1.00 23.03 C ATOM 462 CG PHE A 31 4.817 3.634 1.654 1.00 65.11 C ATOM 463 CD1 PHE A 31 4.816 2.402 1.018 1.00 0.05 C ATOM 464 CD2 PHE A 31 3.705 4.006 2.389 1.00 53.43 C ATOM 465 CE1 PHE A 31 3.726 1.560 1.115 1.00 50.43 C ATOM 466 CE2 PHE A 31 2.610 3.167 2.488 1.00 73.43 C ATOM 467 CZ PHE A 31 2.621 1.942 1.851 1.00 24.42 C ATOM 0 H PHE A 31 6.080 4.020 3.955 1.00 11.11 H new ATOM 0 HA PHE A 31 7.493 3.019 1.805 1.00 72.32 H new ATOM 0 HB2 PHE A 31 5.753 5.510 1.993 1.00 23.03 H new ATOM 0 HB3 PHE A 31 6.218 4.731 0.494 1.00 23.03 H new ATOM 0 HD1 PHE A 31 5.677 2.098 0.441 1.00 0.05 H new ATOM 0 HD2 PHE A 31 3.692 4.962 2.891 1.00 53.43 H new ATOM 0 HE1 PHE A 31 3.737 0.603 0.615 1.00 50.43 H new ATOM 0 HE2 PHE A 31 1.747 3.470 3.063 1.00 73.43 H new ATOM 0 HZ PHE A 31 1.768 1.284 1.928 1.00 24.42 H new ATOM 477 N SER A 32 8.622 5.912 2.831 1.00 34.14 N ATOM 478 CA SER A 32 9.711 6.872 2.690 1.00 63.43 C ATOM 479 C SER A 32 11.042 6.245 3.093 1.00 63.23 C ATOM 480 O SER A 32 12.088 6.560 2.523 1.00 73.55 O ATOM 481 CB SER A 32 9.440 8.112 3.543 1.00 22.24 C ATOM 482 OG SER A 32 10.098 9.249 3.014 1.00 43.31 O ATOM 0 H SER A 32 8.027 6.066 3.645 1.00 34.14 H new ATOM 0 HA SER A 32 9.770 7.167 1.642 1.00 63.43 H new ATOM 0 HB2 SER A 32 8.367 8.298 3.589 1.00 22.24 H new ATOM 0 HB3 SER A 32 9.777 7.935 4.564 1.00 22.24 H new ATOM 0 HG SER A 32 9.907 10.028 3.577 1.00 43.31 H new ATOM 488 N LYS A 33 10.996 5.354 4.078 1.00 1.31 N ATOM 489 CA LYS A 33 12.197 4.681 4.558 1.00 44.23 C ATOM 490 C LYS A 33 12.632 3.588 3.586 1.00 72.43 C ATOM 491 O LYS A 33 13.826 3.340 3.409 1.00 11.51 O ATOM 492 CB LYS A 33 11.950 4.078 5.943 1.00 54.50 C ATOM 493 CG LYS A 33 12.287 5.021 7.085 1.00 65.53 C ATOM 494 CD LYS A 33 13.740 4.884 7.510 1.00 14.24 C ATOM 495 CE LYS A 33 13.929 5.256 8.973 1.00 25.10 C ATOM 496 NZ LYS A 33 15.370 5.341 9.341 1.00 71.41 N ATOM 0 H LYS A 33 10.139 5.081 4.560 1.00 1.31 H new ATOM 0 HA LYS A 33 12.995 5.420 4.628 1.00 44.23 H new ATOM 0 HB2 LYS A 33 10.903 3.785 6.021 1.00 54.50 H new ATOM 0 HB3 LYS A 33 12.543 3.169 6.046 1.00 54.50 H new ATOM 0 HG2 LYS A 33 12.092 6.049 6.779 1.00 65.53 H new ATOM 0 HG3 LYS A 33 11.637 4.812 7.935 1.00 65.53 H new ATOM 0 HD2 LYS A 33 14.073 3.859 7.348 1.00 14.24 H new ATOM 0 HD3 LYS A 33 14.365 5.524 6.887 1.00 14.24 H new ATOM 0 HE2 LYS A 33 13.447 6.213 9.170 1.00 25.10 H new ATOM 0 HE3 LYS A 33 13.436 4.515 9.603 1.00 25.10 H new ATOM 0 HZ1 LYS A 33 15.457 5.597 10.345 1.00 71.41 H new ATOM 0 HZ2 LYS A 33 15.825 4.420 9.177 1.00 71.41 H new ATOM 0 HZ3 LYS A 33 15.835 6.066 8.758 1.00 71.41 H new ATOM 510 N LEU A 34 11.658 2.937 2.959 1.00 23.54 N ATOM 511 CA LEU A 34 11.941 1.872 2.005 1.00 54.14 C ATOM 512 C LEU A 34 12.629 2.423 0.760 1.00 34.21 C ATOM 513 O LEU A 34 13.288 1.689 0.026 1.00 41.32 O ATOM 514 CB LEU A 34 10.647 1.156 1.612 1.00 60.04 C ATOM 515 CG LEU A 34 9.944 0.380 2.726 1.00 45.15 C ATOM 516 CD1 LEU A 34 8.729 -0.355 2.180 1.00 33.14 C ATOM 517 CD2 LEU A 34 10.907 -0.597 3.385 1.00 3.32 C ATOM 0 H LEU A 34 10.665 3.129 3.095 1.00 23.54 H new ATOM 0 HA LEU A 34 12.613 1.159 2.483 1.00 54.14 H new ATOM 0 HB2 LEU A 34 9.951 1.896 1.218 1.00 60.04 H new ATOM 0 HB3 LEU A 34 10.870 0.464 0.800 1.00 60.04 H new ATOM 0 HG LEU A 34 9.606 1.091 3.480 1.00 45.15 H new ATOM 0 HD11 LEU A 34 8.241 -0.902 2.987 1.00 33.14 H new ATOM 0 HD12 LEU A 34 8.029 0.364 1.755 1.00 33.14 H new ATOM 0 HD13 LEU A 34 9.045 -1.055 1.406 1.00 33.14 H new ATOM 0 HD21 LEU A 34 10.390 -1.141 4.175 1.00 3.32 H new ATOM 0 HD22 LEU A 34 11.275 -1.303 2.641 1.00 3.32 H new ATOM 0 HD23 LEU A 34 11.747 -0.048 3.812 1.00 3.32 H new ATOM 529 N GLY A 35 12.471 3.724 0.531 1.00 62.34 N ATOM 530 CA GLY A 35 13.084 4.353 -0.624 1.00 64.03 C ATOM 531 C GLY A 35 12.064 4.783 -1.659 1.00 14.24 C ATOM 532 O GLY A 35 12.402 4.993 -2.824 1.00 42.20 O ATOM 0 H GLY A 35 11.930 4.353 1.125 1.00 62.34 H new ATOM 0 HA2 GLY A 35 13.656 5.222 -0.300 1.00 64.03 H new ATOM 0 HA3 GLY A 35 13.790 3.659 -1.080 1.00 64.03 H new ATOM 536 N ALA A 36 10.811 4.916 -1.234 1.00 24.44 N ATOM 537 CA ALA A 36 9.740 5.326 -2.132 1.00 54.13 C ATOM 538 C ALA A 36 9.486 6.826 -2.037 1.00 24.43 C ATOM 539 O ALA A 36 8.981 7.317 -1.028 1.00 34.15 O ATOM 540 CB ALA A 36 8.466 4.553 -1.821 1.00 32.31 C ATOM 0 H ALA A 36 10.514 4.745 -0.273 1.00 24.44 H new ATOM 0 HA ALA A 36 10.050 5.101 -3.152 1.00 54.13 H new ATOM 0 HB1 ALA A 36 7.674 4.869 -2.499 1.00 32.31 H new ATOM 0 HB2 ALA A 36 8.648 3.486 -1.948 1.00 32.31 H new ATOM 0 HB3 ALA A 36 8.163 4.750 -0.793 1.00 32.31 H new ATOM 546 N ASP A 37 9.843 7.549 -3.093 1.00 14.13 N ATOM 547 CA ASP A 37 9.654 8.996 -3.128 1.00 71.04 C ATOM 548 C ASP A 37 8.218 9.347 -3.504 1.00 71.33 C ATOM 549 O ASP A 37 7.388 8.464 -3.722 1.00 21.12 O ATOM 550 CB ASP A 37 10.626 9.634 -4.122 1.00 73.20 C ATOM 551 CG ASP A 37 12.002 9.000 -4.075 1.00 34.12 C ATOM 552 OD1 ASP A 37 12.146 7.860 -4.564 1.00 1.22 O ATOM 553 OD2 ASP A 37 12.934 9.643 -3.549 1.00 73.01 O ATOM 0 H ASP A 37 10.264 7.158 -3.936 1.00 14.13 H new ATOM 0 HA ASP A 37 9.856 9.389 -2.132 1.00 71.04 H new ATOM 0 HB2 ASP A 37 10.222 9.543 -5.130 1.00 73.20 H new ATOM 0 HB3 ASP A 37 10.713 10.699 -3.908 1.00 73.20 H new ATOM 558 N SER A 38 7.931 10.643 -3.577 1.00 73.14 N ATOM 559 CA SER A 38 6.594 11.112 -3.922 1.00 44.05 C ATOM 560 C SER A 38 6.133 10.510 -5.247 1.00 14.34 C ATOM 561 O SER A 38 4.941 10.279 -5.455 1.00 54.03 O ATOM 562 CB SER A 38 6.572 12.638 -4.007 1.00 1.44 C ATOM 563 OG SER A 38 5.248 13.135 -3.922 1.00 13.11 O ATOM 0 H SER A 38 8.607 11.387 -3.402 1.00 73.14 H new ATOM 0 HA SER A 38 5.909 10.790 -3.138 1.00 44.05 H new ATOM 0 HB2 SER A 38 7.174 13.059 -3.202 1.00 1.44 H new ATOM 0 HB3 SER A 38 7.025 12.960 -4.945 1.00 1.44 H new ATOM 0 HG SER A 38 5.262 14.113 -3.977 1.00 13.11 H new ATOM 569 N LEU A 39 7.084 10.261 -6.139 1.00 54.52 N ATOM 570 CA LEU A 39 6.777 9.687 -7.445 1.00 12.10 C ATOM 571 C LEU A 39 6.497 8.192 -7.330 1.00 43.51 C ATOM 572 O LEU A 39 5.785 7.619 -8.154 1.00 74.21 O ATOM 573 CB LEU A 39 7.935 9.928 -8.414 1.00 43.53 C ATOM 574 CG LEU A 39 8.349 11.387 -8.616 1.00 51.11 C ATOM 575 CD1 LEU A 39 9.421 11.781 -7.612 1.00 41.12 C ATOM 576 CD2 LEU A 39 8.840 11.610 -10.040 1.00 34.23 C ATOM 0 H LEU A 39 8.075 10.447 -5.983 1.00 54.52 H new ATOM 0 HA LEU A 39 5.882 10.177 -7.829 1.00 12.10 H new ATOM 0 HB2 LEU A 39 8.802 9.371 -8.058 1.00 43.53 H new ATOM 0 HB3 LEU A 39 7.664 9.511 -9.384 1.00 43.53 H new ATOM 0 HG LEU A 39 7.476 12.019 -8.451 1.00 51.11 H new ATOM 0 HD11 LEU A 39 9.703 12.822 -7.771 1.00 41.12 H new ATOM 0 HD12 LEU A 39 9.034 11.660 -6.600 1.00 41.12 H new ATOM 0 HD13 LEU A 39 10.295 11.144 -7.744 1.00 41.12 H new ATOM 0 HD21 LEU A 39 9.130 12.653 -10.166 1.00 34.23 H new ATOM 0 HD22 LEU A 39 9.700 10.968 -10.233 1.00 34.23 H new ATOM 0 HD23 LEU A 39 8.042 11.368 -10.742 1.00 34.23 H new ATOM 588 N ASP A 40 7.062 7.568 -6.302 1.00 73.44 N ATOM 589 CA ASP A 40 6.870 6.139 -6.078 1.00 23.30 C ATOM 590 C ASP A 40 5.544 5.873 -5.373 1.00 53.01 C ATOM 591 O ASP A 40 4.734 5.067 -5.835 1.00 22.24 O ATOM 592 CB ASP A 40 8.025 5.573 -5.249 1.00 71.40 C ATOM 593 CG ASP A 40 8.534 4.252 -5.792 1.00 1.41 C ATOM 594 OD1 ASP A 40 7.798 3.248 -5.694 1.00 22.41 O ATOM 595 OD2 ASP A 40 9.668 4.222 -6.314 1.00 4.41 O ATOM 0 H ASP A 40 7.656 8.028 -5.612 1.00 73.44 H new ATOM 0 HA ASP A 40 6.851 5.643 -7.048 1.00 23.30 H new ATOM 0 HB2 ASP A 40 8.842 6.294 -5.230 1.00 71.40 H new ATOM 0 HB3 ASP A 40 7.696 5.437 -4.219 1.00 71.40 H new ATOM 600 N THR A 41 5.328 6.554 -4.252 1.00 55.31 N ATOM 601 CA THR A 41 4.100 6.390 -3.483 1.00 63.23 C ATOM 602 C THR A 41 2.872 6.464 -4.384 1.00 4.21 C ATOM 603 O THR A 41 2.017 5.580 -4.358 1.00 63.04 O ATOM 604 CB THR A 41 3.980 7.459 -2.381 1.00 71.25 C ATOM 605 OG1 THR A 41 5.191 7.514 -1.619 1.00 22.21 O ATOM 606 CG2 THR A 41 2.808 7.158 -1.460 1.00 35.20 C ATOM 0 H THR A 41 5.987 7.224 -3.856 1.00 55.31 H new ATOM 0 HA THR A 41 4.147 5.405 -3.019 1.00 63.23 H new ATOM 0 HB THR A 41 3.807 8.424 -2.858 1.00 71.25 H new ATOM 0 HG1 THR A 41 5.108 8.197 -0.921 1.00 22.21 H new ATOM 0 HG21 THR A 41 2.744 7.927 -0.690 1.00 35.20 H new ATOM 0 HG22 THR A 41 1.884 7.146 -2.039 1.00 35.20 H new ATOM 0 HG23 THR A 41 2.955 6.185 -0.990 1.00 35.20 H new ATOM 614 N VAL A 42 2.792 7.525 -5.180 1.00 1.01 N ATOM 615 CA VAL A 42 1.670 7.715 -6.091 1.00 75.15 C ATOM 616 C VAL A 42 1.443 6.474 -6.950 1.00 13.43 C ATOM 617 O VAL A 42 0.307 6.132 -7.276 1.00 15.54 O ATOM 618 CB VAL A 42 1.891 8.929 -7.011 1.00 1.12 C ATOM 619 CG1 VAL A 42 3.177 8.768 -7.808 1.00 54.43 C ATOM 620 CG2 VAL A 42 0.700 9.120 -7.937 1.00 41.40 C ATOM 0 H VAL A 42 3.491 8.267 -5.212 1.00 1.01 H new ATOM 0 HA VAL A 42 0.789 7.893 -5.474 1.00 75.15 H new ATOM 0 HB VAL A 42 1.986 9.820 -6.391 1.00 1.12 H new ATOM 0 HG11 VAL A 42 3.317 9.636 -8.453 1.00 54.43 H new ATOM 0 HG12 VAL A 42 4.021 8.685 -7.124 1.00 54.43 H new ATOM 0 HG13 VAL A 42 3.116 7.868 -8.419 1.00 54.43 H new ATOM 0 HG21 VAL A 42 0.874 9.983 -8.580 1.00 41.40 H new ATOM 0 HG22 VAL A 42 0.571 8.229 -8.552 1.00 41.40 H new ATOM 0 HG23 VAL A 42 -0.199 9.285 -7.344 1.00 41.40 H new ATOM 630 N GLU A 43 2.533 5.806 -7.312 1.00 22.10 N ATOM 631 CA GLU A 43 2.453 4.604 -8.133 1.00 61.13 C ATOM 632 C GLU A 43 1.950 3.418 -7.315 1.00 74.11 C ATOM 633 O GLU A 43 1.290 2.522 -7.843 1.00 15.32 O ATOM 634 CB GLU A 43 3.821 4.278 -8.735 1.00 25.24 C ATOM 635 CG GLU A 43 3.919 4.574 -10.222 1.00 52.03 C ATOM 636 CD GLU A 43 5.352 4.724 -10.694 1.00 50.41 C ATOM 637 OE1 GLU A 43 6.251 4.831 -9.834 1.00 23.02 O ATOM 638 OE2 GLU A 43 5.575 4.737 -11.923 1.00 51.11 O ATOM 0 H GLU A 43 3.481 6.076 -7.050 1.00 22.10 H new ATOM 0 HA GLU A 43 1.745 4.793 -8.940 1.00 61.13 H new ATOM 0 HB2 GLU A 43 4.585 4.849 -8.208 1.00 25.24 H new ATOM 0 HB3 GLU A 43 4.040 3.223 -8.568 1.00 25.24 H new ATOM 0 HG2 GLU A 43 3.439 3.771 -10.781 1.00 52.03 H new ATOM 0 HG3 GLU A 43 3.370 5.489 -10.443 1.00 52.03 H new ATOM 645 N ILE A 44 2.266 3.420 -6.025 1.00 12.14 N ATOM 646 CA ILE A 44 1.846 2.346 -5.134 1.00 51.21 C ATOM 647 C ILE A 44 0.325 2.238 -5.083 1.00 23.42 C ATOM 648 O ILE A 44 -0.238 1.162 -5.284 1.00 1.33 O ATOM 649 CB ILE A 44 2.383 2.557 -3.706 1.00 33.20 C ATOM 650 CG1 ILE A 44 3.896 2.779 -3.735 1.00 22.53 C ATOM 651 CG2 ILE A 44 2.034 1.364 -2.828 1.00 13.24 C ATOM 652 CD1 ILE A 44 4.638 1.784 -4.601 1.00 54.21 C ATOM 0 H ILE A 44 2.812 4.154 -5.573 1.00 12.14 H new ATOM 0 HA ILE A 44 2.260 1.421 -5.536 1.00 51.21 H new ATOM 0 HB ILE A 44 1.912 3.445 -3.284 1.00 33.20 H new ATOM 0 HG12 ILE A 44 4.100 3.787 -4.097 1.00 22.53 H new ATOM 0 HG13 ILE A 44 4.283 2.722 -2.718 1.00 22.53 H new ATOM 0 HG21 ILE A 44 2.420 1.527 -1.822 1.00 13.24 H new ATOM 0 HG22 ILE A 44 0.951 1.247 -2.787 1.00 13.24 H new ATOM 0 HG23 ILE A 44 2.481 0.462 -3.246 1.00 13.24 H new ATOM 0 HD11 ILE A 44 5.705 2.003 -4.574 1.00 54.21 H new ATOM 0 HD12 ILE A 44 4.465 0.775 -4.226 1.00 54.21 H new ATOM 0 HD13 ILE A 44 4.279 1.856 -5.628 1.00 54.21 H new ATOM 664 N VAL A 45 -0.334 3.360 -4.812 1.00 24.21 N ATOM 665 CA VAL A 45 -1.789 3.392 -4.737 1.00 11.43 C ATOM 666 C VAL A 45 -2.416 3.038 -6.081 1.00 74.50 C ATOM 667 O VAL A 45 -3.487 2.432 -6.136 1.00 65.22 O ATOM 668 CB VAL A 45 -2.298 4.778 -4.296 1.00 23.51 C ATOM 669 CG1 VAL A 45 -1.778 5.860 -5.230 1.00 4.33 C ATOM 670 CG2 VAL A 45 -3.818 4.795 -4.240 1.00 43.14 C ATOM 0 H VAL A 45 0.117 4.259 -4.641 1.00 24.21 H new ATOM 0 HA VAL A 45 -2.084 2.651 -3.994 1.00 11.43 H new ATOM 0 HB VAL A 45 -1.919 4.983 -3.295 1.00 23.51 H new ATOM 0 HG11 VAL A 45 -2.148 6.832 -4.903 1.00 4.33 H new ATOM 0 HG12 VAL A 45 -0.688 5.862 -5.213 1.00 4.33 H new ATOM 0 HG13 VAL A 45 -2.125 5.663 -6.244 1.00 4.33 H new ATOM 0 HG21 VAL A 45 -4.160 5.782 -3.927 1.00 43.14 H new ATOM 0 HG22 VAL A 45 -4.221 4.568 -5.227 1.00 43.14 H new ATOM 0 HG23 VAL A 45 -4.164 4.048 -3.526 1.00 43.14 H new ATOM 680 N MET A 46 -1.744 3.418 -7.161 1.00 50.05 N ATOM 681 CA MET A 46 -2.235 3.138 -8.505 1.00 73.53 C ATOM 682 C MET A 46 -2.260 1.636 -8.772 1.00 50.30 C ATOM 683 O MET A 46 -3.263 1.095 -9.235 1.00 44.32 O ATOM 684 CB MET A 46 -1.361 3.839 -9.547 1.00 12.31 C ATOM 685 CG MET A 46 -2.063 4.062 -10.877 1.00 51.44 C ATOM 686 SD MET A 46 -0.938 4.621 -12.171 1.00 60.30 S ATOM 687 CE MET A 46 -0.421 6.203 -11.509 1.00 61.22 C ATOM 0 H MET A 46 -0.857 3.921 -7.132 1.00 50.05 H new ATOM 0 HA MET A 46 -3.253 3.520 -8.580 1.00 73.53 H new ATOM 0 HB2 MET A 46 -1.038 4.801 -9.150 1.00 12.31 H new ATOM 0 HB3 MET A 46 -0.462 3.245 -9.715 1.00 12.31 H new ATOM 0 HG2 MET A 46 -2.540 3.134 -11.192 1.00 51.44 H new ATOM 0 HG3 MET A 46 -2.855 4.799 -10.746 1.00 51.44 H new ATOM 0 HE1 MET A 46 0.104 6.766 -12.281 1.00 61.22 H new ATOM 0 HE2 MET A 46 -1.296 6.764 -11.182 1.00 61.22 H new ATOM 0 HE3 MET A 46 0.245 6.043 -10.661 1.00 61.22 H new ATOM 697 N ASN A 47 -1.149 0.969 -8.479 1.00 33.41 N ATOM 698 CA ASN A 47 -1.043 -0.471 -8.688 1.00 53.12 C ATOM 699 C ASN A 47 -2.001 -1.225 -7.771 1.00 71.32 C ATOM 700 O ASN A 47 -2.505 -2.292 -8.123 1.00 51.05 O ATOM 701 CB ASN A 47 0.392 -0.939 -8.442 1.00 51.22 C ATOM 702 CG ASN A 47 1.293 -0.696 -9.638 1.00 13.41 C ATOM 703 OD1 ASN A 47 1.981 -1.603 -10.106 1.00 22.14 O ATOM 704 ND2 ASN A 47 1.290 0.534 -10.140 1.00 32.20 N ATOM 0 H ASN A 47 -0.309 1.402 -8.096 1.00 33.41 H new ATOM 0 HA ASN A 47 -1.314 -0.684 -9.722 1.00 53.12 H new ATOM 0 HB2 ASN A 47 0.797 -0.419 -7.574 1.00 51.22 H new ATOM 0 HB3 ASN A 47 0.388 -2.003 -8.203 1.00 51.22 H new ATOM 0 HD21 ASN A 47 1.874 0.757 -10.946 1.00 32.20 H new ATOM 0 HD22 ASN A 47 0.704 1.255 -9.720 1.00 32.20 H new ATOM 711 N LEU A 48 -2.246 -0.665 -6.591 1.00 75.15 N ATOM 712 CA LEU A 48 -3.144 -1.284 -5.623 1.00 33.51 C ATOM 713 C LEU A 48 -4.600 -1.119 -6.045 1.00 51.44 C ATOM 714 O LEU A 48 -5.383 -2.066 -5.992 1.00 34.52 O ATOM 715 CB LEU A 48 -2.931 -0.672 -4.236 1.00 40.43 C ATOM 716 CG LEU A 48 -1.581 -0.958 -3.577 1.00 35.01 C ATOM 717 CD1 LEU A 48 -1.314 0.036 -2.457 1.00 62.41 C ATOM 718 CD2 LEU A 48 -1.538 -2.384 -3.049 1.00 73.21 C ATOM 0 H LEU A 48 -1.835 0.216 -6.282 1.00 75.15 H new ATOM 0 HA LEU A 48 -2.916 -2.349 -5.584 1.00 33.51 H new ATOM 0 HB2 LEU A 48 -3.053 0.408 -4.315 1.00 40.43 H new ATOM 0 HB3 LEU A 48 -3.719 -1.034 -3.576 1.00 40.43 H new ATOM 0 HG LEU A 48 -0.799 -0.846 -4.328 1.00 35.01 H new ATOM 0 HD11 LEU A 48 -0.349 -0.182 -1.999 1.00 62.41 H new ATOM 0 HD12 LEU A 48 -1.302 1.047 -2.863 1.00 62.41 H new ATOM 0 HD13 LEU A 48 -2.099 -0.044 -1.705 1.00 62.41 H new ATOM 0 HD21 LEU A 48 -0.570 -2.571 -2.583 1.00 73.21 H new ATOM 0 HD22 LEU A 48 -2.328 -2.523 -2.311 1.00 73.21 H new ATOM 0 HD23 LEU A 48 -1.684 -3.082 -3.873 1.00 73.21 H new ATOM 730 N GLU A 49 -4.955 0.091 -6.468 1.00 35.41 N ATOM 731 CA GLU A 49 -6.317 0.379 -6.901 1.00 32.04 C ATOM 732 C GLU A 49 -6.753 -0.585 -8.000 1.00 32.02 C ATOM 733 O GLU A 49 -7.899 -1.033 -8.028 1.00 34.22 O ATOM 734 CB GLU A 49 -6.422 1.822 -7.401 1.00 74.45 C ATOM 735 CG GLU A 49 -6.505 2.848 -6.285 1.00 24.23 C ATOM 736 CD GLU A 49 -6.069 4.231 -6.730 1.00 74.31 C ATOM 737 OE1 GLU A 49 -5.153 4.320 -7.574 1.00 11.30 O ATOM 738 OE2 GLU A 49 -6.643 5.222 -6.235 1.00 10.12 O ATOM 0 H GLU A 49 -4.319 0.886 -6.520 1.00 35.41 H new ATOM 0 HA GLU A 49 -6.979 0.250 -6.045 1.00 32.04 H new ATOM 0 HB2 GLU A 49 -5.556 2.045 -8.025 1.00 74.45 H new ATOM 0 HB3 GLU A 49 -7.304 1.915 -8.035 1.00 74.45 H new ATOM 0 HG2 GLU A 49 -7.529 2.895 -5.916 1.00 24.23 H new ATOM 0 HG3 GLU A 49 -5.881 2.525 -5.452 1.00 24.23 H new ATOM 745 N GLU A 50 -5.831 -0.899 -8.904 1.00 65.43 N ATOM 746 CA GLU A 50 -6.121 -1.809 -10.006 1.00 63.34 C ATOM 747 C GLU A 50 -6.178 -3.254 -9.519 1.00 74.43 C ATOM 748 O GLU A 50 -6.872 -4.089 -10.099 1.00 1.32 O ATOM 749 CB GLU A 50 -5.063 -1.671 -11.104 1.00 20.31 C ATOM 750 CG GLU A 50 -5.470 -2.303 -12.424 1.00 64.51 C ATOM 751 CD GLU A 50 -4.296 -2.498 -13.363 1.00 44.15 C ATOM 752 OE1 GLU A 50 -3.155 -2.620 -12.869 1.00 24.53 O ATOM 753 OE2 GLU A 50 -4.516 -2.528 -14.592 1.00 13.02 O ATOM 0 H GLU A 50 -4.877 -0.537 -8.895 1.00 65.43 H new ATOM 0 HA GLU A 50 -7.096 -1.543 -10.415 1.00 63.34 H new ATOM 0 HB2 GLU A 50 -4.855 -0.613 -11.266 1.00 20.31 H new ATOM 0 HB3 GLU A 50 -4.135 -2.129 -10.762 1.00 20.31 H new ATOM 0 HG2 GLU A 50 -5.940 -3.267 -12.231 1.00 64.51 H new ATOM 0 HG3 GLU A 50 -6.218 -1.675 -12.908 1.00 64.51 H new ATOM 760 N GLU A 51 -5.443 -3.540 -8.449 1.00 64.52 N ATOM 761 CA GLU A 51 -5.408 -4.885 -7.884 1.00 55.45 C ATOM 762 C GLU A 51 -6.712 -5.203 -7.157 1.00 62.21 C ATOM 763 O GLU A 51 -7.342 -6.230 -7.410 1.00 10.00 O ATOM 764 CB GLU A 51 -4.227 -5.028 -6.922 1.00 50.42 C ATOM 765 CG GLU A 51 -3.765 -6.464 -6.735 1.00 12.43 C ATOM 766 CD GLU A 51 -4.660 -7.246 -5.793 1.00 43.11 C ATOM 767 OE1 GLU A 51 -4.533 -7.061 -4.565 1.00 13.55 O ATOM 768 OE2 GLU A 51 -5.485 -8.044 -6.285 1.00 14.41 O ATOM 0 H GLU A 51 -4.864 -2.860 -7.956 1.00 64.52 H new ATOM 0 HA GLU A 51 -5.287 -5.593 -8.704 1.00 55.45 H new ATOM 0 HB2 GLU A 51 -3.393 -4.432 -7.293 1.00 50.42 H new ATOM 0 HB3 GLU A 51 -4.507 -4.616 -5.952 1.00 50.42 H new ATOM 0 HG2 GLU A 51 -3.739 -6.963 -7.704 1.00 12.43 H new ATOM 0 HG3 GLU A 51 -2.746 -6.467 -6.348 1.00 12.43 H new ATOM 775 N PHE A 52 -7.110 -4.315 -6.252 1.00 3.21 N ATOM 776 CA PHE A 52 -8.337 -4.500 -5.487 1.00 40.33 C ATOM 777 C PHE A 52 -9.518 -3.832 -6.183 1.00 13.50 C ATOM 778 O PHE A 52 -10.597 -3.697 -5.607 1.00 21.11 O ATOM 779 CB PHE A 52 -8.174 -3.932 -4.076 1.00 21.53 C ATOM 780 CG PHE A 52 -6.973 -4.467 -3.349 1.00 74.22 C ATOM 781 CD1 PHE A 52 -7.034 -5.684 -2.687 1.00 25.34 C ATOM 782 CD2 PHE A 52 -5.785 -3.756 -3.328 1.00 34.42 C ATOM 783 CE1 PHE A 52 -5.930 -6.179 -2.017 1.00 13.23 C ATOM 784 CE2 PHE A 52 -4.679 -4.246 -2.660 1.00 21.53 C ATOM 785 CZ PHE A 52 -4.751 -5.459 -2.004 1.00 14.42 C ATOM 0 H PHE A 52 -6.600 -3.460 -6.031 1.00 3.21 H new ATOM 0 HA PHE A 52 -8.536 -5.570 -5.420 1.00 40.33 H new ATOM 0 HB2 PHE A 52 -8.098 -2.846 -4.137 1.00 21.53 H new ATOM 0 HB3 PHE A 52 -9.069 -4.157 -3.497 1.00 21.53 H new ATOM 0 HD1 PHE A 52 -7.953 -6.251 -2.695 1.00 25.34 H new ATOM 0 HD2 PHE A 52 -5.722 -2.807 -3.840 1.00 34.42 H new ATOM 0 HE1 PHE A 52 -5.990 -7.128 -1.504 1.00 13.23 H new ATOM 0 HE2 PHE A 52 -3.759 -3.681 -2.651 1.00 21.53 H new ATOM 0 HZ PHE A 52 -3.888 -5.844 -1.482 1.00 14.42 H new ATOM 795 N GLY A 53 -9.306 -3.414 -7.427 1.00 43.20 N ATOM 796 CA GLY A 53 -10.361 -2.763 -8.182 1.00 70.05 C ATOM 797 C GLY A 53 -10.989 -1.610 -7.425 1.00 63.24 C ATOM 798 O GLY A 53 -12.159 -1.287 -7.634 1.00 32.44 O ATOM 0 H GLY A 53 -8.422 -3.515 -7.926 1.00 43.20 H new ATOM 0 HA2 GLY A 53 -9.956 -2.396 -9.125 1.00 70.05 H new ATOM 0 HA3 GLY A 53 -11.131 -3.494 -8.429 1.00 70.05 H new ATOM 802 N ILE A 54 -10.211 -0.990 -6.545 1.00 52.22 N ATOM 803 CA ILE A 54 -10.699 0.134 -5.754 1.00 41.21 C ATOM 804 C ILE A 54 -10.192 1.459 -6.312 1.00 11.03 C ATOM 805 O ILE A 54 -9.451 1.489 -7.294 1.00 34.42 O ATOM 806 CB ILE A 54 -10.271 0.012 -4.280 1.00 15.14 C ATOM 807 CG1 ILE A 54 -8.745 0.015 -4.166 1.00 52.33 C ATOM 808 CG2 ILE A 54 -10.852 -1.251 -3.662 1.00 63.34 C ATOM 809 CD1 ILE A 54 -8.245 0.142 -2.745 1.00 61.23 C ATOM 0 H ILE A 54 -9.241 -1.246 -6.361 1.00 52.22 H new ATOM 0 HA ILE A 54 -11.787 0.112 -5.810 1.00 41.21 H new ATOM 0 HB ILE A 54 -10.658 0.872 -3.733 1.00 15.14 H new ATOM 0 HG12 ILE A 54 -8.355 -0.906 -4.599 1.00 52.33 H new ATOM 0 HG13 ILE A 54 -8.346 0.839 -4.758 1.00 52.33 H new ATOM 0 HG21 ILE A 54 -10.540 -1.323 -2.620 1.00 63.34 H new ATOM 0 HG22 ILE A 54 -11.940 -1.214 -3.714 1.00 63.34 H new ATOM 0 HG23 ILE A 54 -10.492 -2.122 -4.209 1.00 63.34 H new ATOM 0 HD11 ILE A 54 -7.155 0.137 -2.741 1.00 61.23 H new ATOM 0 HD12 ILE A 54 -8.605 1.076 -2.315 1.00 61.23 H new ATOM 0 HD13 ILE A 54 -8.614 -0.696 -2.153 1.00 61.23 H new ATOM 821 N ASN A 55 -10.594 2.556 -5.676 1.00 74.25 N ATOM 822 CA ASN A 55 -10.180 3.885 -6.108 1.00 25.12 C ATOM 823 C ASN A 55 -10.088 4.838 -4.920 1.00 25.44 C ATOM 824 O ASN A 55 -10.989 4.892 -4.083 1.00 0.11 O ATOM 825 CB ASN A 55 -11.161 4.436 -7.144 1.00 5.02 C ATOM 826 CG ASN A 55 -12.523 4.737 -6.549 1.00 50.24 C ATOM 827 OD1 ASN A 55 -12.932 5.894 -6.458 1.00 43.34 O ATOM 828 ND2 ASN A 55 -13.232 3.691 -6.139 1.00 12.32 N ATOM 0 H ASN A 55 -11.206 2.549 -4.860 1.00 74.25 H new ATOM 0 HA ASN A 55 -9.193 3.802 -6.562 1.00 25.12 H new ATOM 0 HB2 ASN A 55 -10.750 5.346 -7.582 1.00 5.02 H new ATOM 0 HB3 ASN A 55 -11.273 3.715 -7.954 1.00 5.02 H new ATOM 0 HD21 ASN A 55 -14.156 3.830 -5.729 1.00 12.32 H new ATOM 0 HD22 ASN A 55 -12.853 2.749 -6.234 1.00 12.32 H new ATOM 835 N VAL A 56 -8.993 5.589 -4.855 1.00 23.12 N ATOM 836 CA VAL A 56 -8.783 6.542 -3.771 1.00 72.23 C ATOM 837 C VAL A 56 -7.969 7.742 -4.244 1.00 75.21 C ATOM 838 O VAL A 56 -7.071 7.607 -5.073 1.00 41.14 O ATOM 839 CB VAL A 56 -8.064 5.885 -2.577 1.00 4.00 C ATOM 840 CG1 VAL A 56 -6.730 5.301 -3.015 1.00 32.52 C ATOM 841 CG2 VAL A 56 -7.872 6.891 -1.452 1.00 43.12 C ATOM 0 H VAL A 56 -8.238 5.556 -5.540 1.00 23.12 H new ATOM 0 HA VAL A 56 -9.769 6.879 -3.451 1.00 72.23 H new ATOM 0 HB VAL A 56 -8.685 5.071 -2.203 1.00 4.00 H new ATOM 0 HG11 VAL A 56 -6.236 4.841 -2.159 1.00 32.52 H new ATOM 0 HG12 VAL A 56 -6.898 4.548 -3.785 1.00 32.52 H new ATOM 0 HG13 VAL A 56 -6.099 6.095 -3.415 1.00 32.52 H new ATOM 0 HG21 VAL A 56 -7.363 6.410 -0.617 1.00 43.12 H new ATOM 0 HG22 VAL A 56 -7.272 7.727 -1.810 1.00 43.12 H new ATOM 0 HG23 VAL A 56 -8.844 7.257 -1.122 1.00 43.12 H new ATOM 851 N ASP A 57 -8.290 8.915 -3.709 1.00 72.22 N ATOM 852 CA ASP A 57 -7.588 10.139 -4.075 1.00 22.42 C ATOM 853 C ASP A 57 -6.262 10.249 -3.327 1.00 11.02 C ATOM 854 O ASP A 57 -6.134 9.771 -2.200 1.00 4.02 O ATOM 855 CB ASP A 57 -8.458 11.361 -3.775 1.00 52.05 C ATOM 856 CG ASP A 57 -8.168 12.520 -4.708 1.00 31.13 C ATOM 857 OD1 ASP A 57 -6.990 12.922 -4.805 1.00 71.55 O ATOM 858 OD2 ASP A 57 -9.120 13.027 -5.338 1.00 4.12 O ATOM 0 H ASP A 57 -9.032 9.044 -3.021 1.00 72.22 H new ATOM 0 HA ASP A 57 -7.381 10.103 -5.145 1.00 22.42 H new ATOM 0 HB2 ASP A 57 -9.509 11.085 -3.859 1.00 52.05 H new ATOM 0 HB3 ASP A 57 -8.293 11.677 -2.745 1.00 52.05 H new ATOM 863 N GLU A 58 -5.281 10.880 -3.964 1.00 30.43 N ATOM 864 CA GLU A 58 -3.964 11.050 -3.359 1.00 12.32 C ATOM 865 C GLU A 58 -4.048 11.921 -2.109 1.00 2.11 C ATOM 866 O GLU A 58 -3.439 11.615 -1.084 1.00 41.23 O ATOM 867 CB GLU A 58 -2.994 11.673 -4.364 1.00 2.00 C ATOM 868 CG GLU A 58 -1.549 11.677 -3.894 1.00 63.22 C ATOM 869 CD GLU A 58 -1.007 10.278 -3.666 1.00 2.02 C ATOM 870 OE1 GLU A 58 -1.440 9.350 -4.380 1.00 32.45 O ATOM 871 OE2 GLU A 58 -0.148 10.115 -2.774 1.00 61.22 O ATOM 0 H GLU A 58 -5.372 11.282 -4.897 1.00 30.43 H new ATOM 0 HA GLU A 58 -3.595 10.066 -3.071 1.00 12.32 H new ATOM 0 HB2 GLU A 58 -3.059 11.127 -5.305 1.00 2.00 H new ATOM 0 HB3 GLU A 58 -3.304 12.698 -4.568 1.00 2.00 H new ATOM 0 HG2 GLU A 58 -0.931 12.186 -4.634 1.00 63.22 H new ATOM 0 HG3 GLU A 58 -1.473 12.248 -2.968 1.00 63.22 H new ATOM 878 N ASP A 59 -4.806 13.008 -2.203 1.00 15.22 N ATOM 879 CA ASP A 59 -4.971 13.924 -1.080 1.00 3.45 C ATOM 880 C ASP A 59 -5.518 13.193 0.142 1.00 20.31 C ATOM 881 O ASP A 59 -5.286 13.603 1.280 1.00 15.30 O ATOM 882 CB ASP A 59 -5.906 15.072 -1.464 1.00 0.24 C ATOM 883 CG ASP A 59 -5.580 16.356 -0.726 1.00 41.14 C ATOM 884 OD1 ASP A 59 -4.614 17.039 -1.124 1.00 33.43 O ATOM 885 OD2 ASP A 59 -6.291 16.677 0.249 1.00 74.44 O ATOM 0 H ASP A 59 -5.316 13.276 -3.045 1.00 15.22 H new ATOM 0 HA ASP A 59 -3.992 14.332 -0.829 1.00 3.45 H new ATOM 0 HB2 ASP A 59 -5.840 15.247 -2.538 1.00 0.24 H new ATOM 0 HB3 ASP A 59 -6.936 14.785 -1.251 1.00 0.24 H new ATOM 890 N LYS A 60 -6.246 12.108 -0.101 1.00 32.13 N ATOM 891 CA LYS A 60 -6.827 11.319 0.980 1.00 45.13 C ATOM 892 C LYS A 60 -5.808 10.335 1.543 1.00 65.02 C ATOM 893 O LYS A 60 -5.894 9.933 2.703 1.00 15.32 O ATOM 894 CB LYS A 60 -8.060 10.562 0.479 1.00 4.13 C ATOM 895 CG LYS A 60 -9.374 11.187 0.914 1.00 54.23 C ATOM 896 CD LYS A 60 -10.386 11.204 -0.220 1.00 63.23 C ATOM 897 CE LYS A 60 -11.311 9.998 -0.160 1.00 70.22 C ATOM 898 NZ LYS A 60 -10.647 8.764 -0.663 1.00 64.43 N ATOM 0 H LYS A 60 -6.448 11.755 -1.036 1.00 32.13 H new ATOM 0 HA LYS A 60 -7.125 12.001 1.776 1.00 45.13 H new ATOM 0 HB2 LYS A 60 -8.031 10.517 -0.610 1.00 4.13 H new ATOM 0 HB3 LYS A 60 -8.018 9.535 0.842 1.00 4.13 H new ATOM 0 HG2 LYS A 60 -9.781 10.630 1.758 1.00 54.23 H new ATOM 0 HG3 LYS A 60 -9.197 12.205 1.260 1.00 54.23 H new ATOM 0 HD2 LYS A 60 -10.976 12.119 -0.169 1.00 63.23 H new ATOM 0 HD3 LYS A 60 -9.863 11.215 -1.176 1.00 63.23 H new ATOM 0 HE2 LYS A 60 -11.637 9.841 0.868 1.00 70.22 H new ATOM 0 HE3 LYS A 60 -12.205 10.196 -0.751 1.00 70.22 H new ATOM 0 HZ1 LYS A 60 -11.318 8.221 -1.243 1.00 64.43 H new ATOM 0 HZ2 LYS A 60 -9.822 9.024 -1.240 1.00 64.43 H new ATOM 0 HZ3 LYS A 60 -10.337 8.184 0.142 1.00 64.43 H new ATOM 912 N ALA A 61 -4.841 9.952 0.714 1.00 31.54 N ATOM 913 CA ALA A 61 -3.802 9.018 1.132 1.00 35.02 C ATOM 914 C ALA A 61 -2.553 9.758 1.596 1.00 42.12 C ATOM 915 O ALA A 61 -1.446 9.222 1.536 1.00 74.41 O ATOM 916 CB ALA A 61 -3.463 8.064 -0.004 1.00 73.40 C ATOM 0 H ALA A 61 -4.756 10.274 -0.250 1.00 31.54 H new ATOM 0 HA ALA A 61 -4.183 8.441 1.975 1.00 35.02 H new ATOM 0 HB1 ALA A 61 -2.686 7.372 0.321 1.00 73.40 H new ATOM 0 HB2 ALA A 61 -4.354 7.503 -0.286 1.00 73.40 H new ATOM 0 HB3 ALA A 61 -3.106 8.633 -0.862 1.00 73.40 H new ATOM 922 N GLN A 62 -2.736 10.990 2.057 1.00 15.52 N ATOM 923 CA GLN A 62 -1.623 11.803 2.530 1.00 42.34 C ATOM 924 C GLN A 62 -1.052 11.242 3.827 1.00 20.34 C ATOM 925 O GLN A 62 0.158 11.049 3.952 1.00 22.22 O ATOM 926 CB GLN A 62 -2.072 13.250 2.740 1.00 51.35 C ATOM 927 CG GLN A 62 -2.327 14.002 1.443 1.00 14.51 C ATOM 928 CD GLN A 62 -1.047 14.457 0.771 1.00 1.53 C ATOM 929 OE1 GLN A 62 -0.395 15.400 1.223 1.00 74.42 O ATOM 930 NE2 GLN A 62 -0.678 13.789 -0.316 1.00 31.52 N ATOM 0 H GLN A 62 -3.646 11.448 2.113 1.00 15.52 H new ATOM 0 HA GLN A 62 -0.842 11.780 1.770 1.00 42.34 H new ATOM 0 HB2 GLN A 62 -2.983 13.256 3.339 1.00 51.35 H new ATOM 0 HB3 GLN A 62 -1.310 13.779 3.313 1.00 51.35 H new ATOM 0 HG2 GLN A 62 -2.884 13.361 0.759 1.00 14.51 H new ATOM 0 HG3 GLN A 62 -2.954 14.870 1.648 1.00 14.51 H new ATOM 0 HE21 GLN A 62 -1.247 13.014 -0.656 1.00 31.52 H new ATOM 0 HE22 GLN A 62 0.175 14.051 -0.811 1.00 31.52 H new ATOM 939 N ASP A 63 -1.929 10.984 4.791 1.00 3.10 N ATOM 940 CA ASP A 63 -1.512 10.445 6.080 1.00 65.13 C ATOM 941 C ASP A 63 -0.751 9.135 5.900 1.00 33.30 C ATOM 942 O ASP A 63 0.073 8.764 6.737 1.00 33.23 O ATOM 943 CB ASP A 63 -2.727 10.224 6.982 1.00 72.14 C ATOM 944 CG ASP A 63 -3.290 11.523 7.524 1.00 22.11 C ATOM 945 OD1 ASP A 63 -3.355 12.506 6.758 1.00 2.45 O ATOM 946 OD2 ASP A 63 -3.663 11.557 8.716 1.00 43.24 O ATOM 0 H ASP A 63 -2.933 11.140 4.704 1.00 3.10 H new ATOM 0 HA ASP A 63 -0.847 11.169 6.551 1.00 65.13 H new ATOM 0 HB2 ASP A 63 -3.502 9.702 6.421 1.00 72.14 H new ATOM 0 HB3 ASP A 63 -2.446 9.578 7.814 1.00 72.14 H new ATOM 951 N ILE A 64 -1.034 8.438 4.805 1.00 71.35 N ATOM 952 CA ILE A 64 -0.376 7.170 4.517 1.00 71.13 C ATOM 953 C ILE A 64 1.140 7.304 4.600 1.00 21.14 C ATOM 954 O ILE A 64 1.737 8.138 3.919 1.00 42.13 O ATOM 955 CB ILE A 64 -0.758 6.642 3.120 1.00 21.34 C ATOM 956 CG1 ILE A 64 -2.277 6.502 3.001 1.00 13.04 C ATOM 957 CG2 ILE A 64 -0.075 5.309 2.853 1.00 2.34 C ATOM 958 CD1 ILE A 64 -2.870 5.504 3.971 1.00 63.01 C ATOM 0 H ILE A 64 -1.714 8.730 4.103 1.00 71.35 H new ATOM 0 HA ILE A 64 -0.716 6.460 5.271 1.00 71.13 H new ATOM 0 HB ILE A 64 -0.419 7.358 2.372 1.00 21.34 H new ATOM 0 HG12 ILE A 64 -2.738 7.476 3.167 1.00 13.04 H new ATOM 0 HG13 ILE A 64 -2.527 6.201 1.984 1.00 13.04 H new ATOM 0 HG21 ILE A 64 -0.354 4.949 1.863 1.00 2.34 H new ATOM 0 HG22 ILE A 64 1.006 5.438 2.900 1.00 2.34 H new ATOM 0 HG23 ILE A 64 -0.387 4.583 3.604 1.00 2.34 H new ATOM 0 HD11 ILE A 64 -3.950 5.457 3.830 1.00 63.01 H new ATOM 0 HD12 ILE A 64 -2.437 4.520 3.791 1.00 63.01 H new ATOM 0 HD13 ILE A 64 -2.651 5.815 4.992 1.00 63.01 H new ATOM 970 N SER A 65 1.757 6.478 5.438 1.00 25.02 N ATOM 971 CA SER A 65 3.205 6.506 5.612 1.00 30.14 C ATOM 972 C SER A 65 3.786 5.097 5.561 1.00 53.43 C ATOM 973 O SER A 65 4.816 4.859 4.928 1.00 52.55 O ATOM 974 CB SER A 65 3.567 7.172 6.941 1.00 63.41 C ATOM 975 OG SER A 65 3.330 8.568 6.895 1.00 41.32 O ATOM 0 H SER A 65 1.277 5.781 6.007 1.00 25.02 H new ATOM 0 HA SER A 65 3.633 7.086 4.794 1.00 30.14 H new ATOM 0 HB2 SER A 65 2.981 6.727 7.745 1.00 63.41 H new ATOM 0 HB3 SER A 65 4.616 6.986 7.170 1.00 63.41 H new ATOM 0 HG SER A 65 2.365 8.735 6.860 1.00 41.32 H new ATOM 981 N THR A 66 3.118 4.163 6.232 1.00 3.21 N ATOM 982 CA THR A 66 3.567 2.777 6.265 1.00 32.42 C ATOM 983 C THR A 66 2.610 1.871 5.500 1.00 62.10 C ATOM 984 O THR A 66 1.540 2.304 5.070 1.00 4.11 O ATOM 985 CB THR A 66 3.698 2.263 7.711 1.00 31.15 C ATOM 986 OG1 THR A 66 2.399 2.048 8.274 1.00 40.22 O ATOM 987 CG2 THR A 66 4.471 3.254 8.570 1.00 55.33 C ATOM 0 H THR A 66 2.264 4.342 6.760 1.00 3.21 H new ATOM 0 HA THR A 66 4.547 2.751 5.788 1.00 32.42 H new ATOM 0 HB THR A 66 4.245 1.320 7.690 1.00 31.15 H new ATOM 0 HG1 THR A 66 2.491 1.720 9.193 1.00 40.22 H new ATOM 0 HG21 THR A 66 4.551 2.869 9.587 1.00 55.33 H new ATOM 0 HG22 THR A 66 5.469 3.393 8.155 1.00 55.33 H new ATOM 0 HG23 THR A 66 3.947 4.210 8.584 1.00 55.33 H new ATOM 995 N ILE A 67 3.000 0.611 5.335 1.00 33.31 N ATOM 996 CA ILE A 67 2.173 -0.357 4.624 1.00 5.21 C ATOM 997 C ILE A 67 0.789 -0.465 5.253 1.00 75.32 C ATOM 998 O ILE A 67 -0.225 -0.420 4.557 1.00 5.52 O ATOM 999 CB ILE A 67 2.829 -1.750 4.607 1.00 71.24 C ATOM 1000 CG1 ILE A 67 4.232 -1.670 4.004 1.00 64.54 C ATOM 1001 CG2 ILE A 67 1.966 -2.731 3.825 1.00 35.32 C ATOM 1002 CD1 ILE A 67 4.244 -1.253 2.551 1.00 43.23 C ATOM 0 H ILE A 67 3.883 0.237 5.684 1.00 33.31 H new ATOM 0 HA ILE A 67 2.075 0.002 3.600 1.00 5.21 H new ATOM 0 HB ILE A 67 2.915 -2.108 5.633 1.00 71.24 H new ATOM 0 HG12 ILE A 67 4.827 -0.962 4.581 1.00 64.54 H new ATOM 0 HG13 ILE A 67 4.715 -2.643 4.098 1.00 64.54 H new ATOM 0 HG21 ILE A 67 2.442 -3.712 3.821 1.00 35.32 H new ATOM 0 HG22 ILE A 67 0.985 -2.806 4.293 1.00 35.32 H new ATOM 0 HG23 ILE A 67 1.853 -2.379 2.800 1.00 35.32 H new ATOM 0 HD11 ILE A 67 5.272 -1.218 2.191 1.00 43.23 H new ATOM 0 HD12 ILE A 67 3.677 -1.973 1.961 1.00 43.23 H new ATOM 0 HD13 ILE A 67 3.791 -0.267 2.452 1.00 43.23 H new ATOM 1014 N GLN A 68 0.755 -0.608 6.574 1.00 54.31 N ATOM 1015 CA GLN A 68 -0.506 -0.722 7.297 1.00 54.32 C ATOM 1016 C GLN A 68 -1.439 0.434 6.951 1.00 21.31 C ATOM 1017 O GLN A 68 -2.619 0.228 6.672 1.00 33.01 O ATOM 1018 CB GLN A 68 -0.253 -0.755 8.805 1.00 0.10 C ATOM 1019 CG GLN A 68 -0.168 -2.160 9.378 1.00 42.32 C ATOM 1020 CD GLN A 68 -1.514 -2.686 9.836 1.00 14.24 C ATOM 1021 OE1 GLN A 68 -1.785 -2.772 11.035 1.00 63.43 O ATOM 1022 NE2 GLN A 68 -2.368 -3.039 8.883 1.00 21.44 N ATOM 0 H GLN A 68 1.585 -0.648 7.165 1.00 54.31 H new ATOM 0 HA GLN A 68 -0.985 -1.654 6.996 1.00 54.32 H new ATOM 0 HB2 GLN A 68 0.676 -0.227 9.021 1.00 0.10 H new ATOM 0 HB3 GLN A 68 -1.052 -0.213 9.311 1.00 0.10 H new ATOM 0 HG2 GLN A 68 0.243 -2.831 8.624 1.00 42.32 H new ATOM 0 HG3 GLN A 68 0.525 -2.164 10.220 1.00 42.32 H new ATOM 0 HE21 GLN A 68 -2.102 -2.951 7.902 1.00 21.44 H new ATOM 0 HE22 GLN A 68 -3.290 -3.398 9.132 1.00 21.44 H new ATOM 1031 N GLN A 69 -0.900 1.648 6.972 1.00 13.30 N ATOM 1032 CA GLN A 69 -1.685 2.837 6.660 1.00 73.11 C ATOM 1033 C GLN A 69 -2.392 2.688 5.317 1.00 64.21 C ATOM 1034 O GLN A 69 -3.582 2.973 5.196 1.00 63.33 O ATOM 1035 CB GLN A 69 -0.788 4.076 6.643 1.00 33.54 C ATOM 1036 CG GLN A 69 -0.027 4.295 7.941 1.00 22.40 C ATOM 1037 CD GLN A 69 -0.923 4.755 9.074 1.00 52.11 C ATOM 1038 OE1 GLN A 69 -2.147 4.785 8.939 1.00 54.20 O ATOM 1039 NE2 GLN A 69 -0.318 5.117 10.198 1.00 63.21 N ATOM 0 H GLN A 69 0.076 1.835 7.201 1.00 13.30 H new ATOM 0 HA GLN A 69 -2.442 2.955 7.436 1.00 73.11 H new ATOM 0 HB2 GLN A 69 -0.074 3.986 5.824 1.00 33.54 H new ATOM 0 HB3 GLN A 69 -1.400 4.954 6.438 1.00 33.54 H new ATOM 0 HG2 GLN A 69 0.468 3.367 8.228 1.00 22.40 H new ATOM 0 HG3 GLN A 69 0.755 5.036 7.778 1.00 22.40 H new ATOM 0 HE21 GLN A 69 0.699 5.076 10.266 1.00 63.21 H new ATOM 0 HE22 GLN A 69 -0.870 5.436 10.994 1.00 63.21 H new ATOM 1048 N ALA A 70 -1.649 2.238 4.311 1.00 4.24 N ATOM 1049 CA ALA A 70 -2.204 2.049 2.976 1.00 23.21 C ATOM 1050 C ALA A 70 -3.163 0.863 2.944 1.00 20.24 C ATOM 1051 O ALA A 70 -4.060 0.802 2.104 1.00 30.32 O ATOM 1052 CB ALA A 70 -1.087 1.854 1.962 1.00 20.34 C ATOM 0 H ALA A 70 -0.661 1.998 4.395 1.00 4.24 H new ATOM 0 HA ALA A 70 -2.766 2.945 2.713 1.00 23.21 H new ATOM 0 HB1 ALA A 70 -1.516 1.714 0.970 1.00 20.34 H new ATOM 0 HB2 ALA A 70 -0.442 2.733 1.958 1.00 20.34 H new ATOM 0 HB3 ALA A 70 -0.501 0.975 2.231 1.00 20.34 H new ATOM 1058 N ALA A 71 -2.966 -0.076 3.864 1.00 44.51 N ATOM 1059 CA ALA A 71 -3.815 -1.258 3.940 1.00 24.52 C ATOM 1060 C ALA A 71 -5.184 -0.915 4.517 1.00 74.34 C ATOM 1061 O ALA A 71 -6.198 -1.490 4.117 1.00 21.14 O ATOM 1062 CB ALA A 71 -3.142 -2.336 4.778 1.00 35.32 C ATOM 0 H ALA A 71 -2.227 -0.041 4.566 1.00 44.51 H new ATOM 0 HA ALA A 71 -3.961 -1.636 2.928 1.00 24.52 H new ATOM 0 HB1 ALA A 71 -3.786 -3.214 4.827 1.00 35.32 H new ATOM 0 HB2 ALA A 71 -2.190 -2.610 4.323 1.00 35.32 H new ATOM 0 HB3 ALA A 71 -2.967 -1.958 5.785 1.00 35.32 H new ATOM 1068 N ASP A 72 -5.206 0.023 5.457 1.00 55.41 N ATOM 1069 CA ASP A 72 -6.453 0.443 6.087 1.00 75.44 C ATOM 1070 C ASP A 72 -7.369 1.129 5.079 1.00 23.34 C ATOM 1071 O ASP A 72 -8.575 0.884 5.052 1.00 62.32 O ATOM 1072 CB ASP A 72 -6.164 1.385 7.257 1.00 13.44 C ATOM 1073 CG ASP A 72 -7.420 1.763 8.020 1.00 44.15 C ATOM 1074 OD1 ASP A 72 -8.287 0.884 8.204 1.00 34.41 O ATOM 1075 OD2 ASP A 72 -7.535 2.937 8.431 1.00 64.33 O ATOM 0 H ASP A 72 -4.376 0.507 5.800 1.00 55.41 H new ATOM 0 HA ASP A 72 -6.960 -0.446 6.462 1.00 75.44 H new ATOM 0 HB2 ASP A 72 -5.458 0.909 7.938 1.00 13.44 H new ATOM 0 HB3 ASP A 72 -5.684 2.289 6.882 1.00 13.44 H new ATOM 1080 N VAL A 73 -6.788 1.991 4.250 1.00 24.11 N ATOM 1081 CA VAL A 73 -7.551 2.713 3.240 1.00 44.33 C ATOM 1082 C VAL A 73 -8.147 1.756 2.213 1.00 33.03 C ATOM 1083 O VAL A 73 -9.288 1.925 1.782 1.00 13.33 O ATOM 1084 CB VAL A 73 -6.676 3.751 2.511 1.00 71.35 C ATOM 1085 CG1 VAL A 73 -7.483 4.473 1.443 1.00 51.34 C ATOM 1086 CG2 VAL A 73 -6.084 4.739 3.503 1.00 12.32 C ATOM 0 H VAL A 73 -5.791 2.206 4.259 1.00 24.11 H new ATOM 0 HA VAL A 73 -8.357 3.230 3.761 1.00 44.33 H new ATOM 0 HB VAL A 73 -5.855 3.229 2.020 1.00 71.35 H new ATOM 0 HG11 VAL A 73 -6.849 5.202 0.939 1.00 51.34 H new ATOM 0 HG12 VAL A 73 -7.854 3.750 0.716 1.00 51.34 H new ATOM 0 HG13 VAL A 73 -8.326 4.985 1.908 1.00 51.34 H new ATOM 0 HG21 VAL A 73 -5.469 5.465 2.971 1.00 12.32 H new ATOM 0 HG22 VAL A 73 -6.889 5.258 4.024 1.00 12.32 H new ATOM 0 HG23 VAL A 73 -5.469 4.204 4.227 1.00 12.32 H new ATOM 1096 N ILE A 74 -7.369 0.752 1.827 1.00 25.43 N ATOM 1097 CA ILE A 74 -7.820 -0.234 0.852 1.00 1.34 C ATOM 1098 C ILE A 74 -8.869 -1.162 1.455 1.00 41.42 C ATOM 1099 O ILE A 74 -9.995 -1.244 0.963 1.00 44.21 O ATOM 1100 CB ILE A 74 -6.648 -1.079 0.322 1.00 63.45 C ATOM 1101 CG1 ILE A 74 -5.592 -0.179 -0.322 1.00 64.12 C ATOM 1102 CG2 ILE A 74 -7.149 -2.113 -0.675 1.00 65.02 C ATOM 1103 CD1 ILE A 74 -4.238 -0.840 -0.463 1.00 54.22 C ATOM 0 H ILE A 74 -6.422 0.599 2.174 1.00 25.43 H new ATOM 0 HA ILE A 74 -8.261 0.320 0.023 1.00 1.34 H new ATOM 0 HB ILE A 74 -6.189 -1.603 1.160 1.00 63.45 H new ATOM 0 HG12 ILE A 74 -5.941 0.129 -1.308 1.00 64.12 H new ATOM 0 HG13 ILE A 74 -5.485 0.726 0.276 1.00 64.12 H new ATOM 0 HG21 ILE A 74 -6.309 -2.703 -1.041 1.00 65.02 H new ATOM 0 HG22 ILE A 74 -7.868 -2.770 -0.187 1.00 65.02 H new ATOM 0 HG23 ILE A 74 -7.630 -1.608 -1.513 1.00 65.02 H new ATOM 0 HD11 ILE A 74 -3.540 -0.144 -0.927 1.00 54.22 H new ATOM 0 HD12 ILE A 74 -3.867 -1.123 0.522 1.00 54.22 H new ATOM 0 HD13 ILE A 74 -4.331 -1.730 -1.086 1.00 54.22 H new ATOM 1115 N GLU A 75 -8.493 -1.856 2.524 1.00 74.15 N ATOM 1116 CA GLU A 75 -9.404 -2.778 3.194 1.00 43.12 C ATOM 1117 C GLU A 75 -10.699 -2.073 3.588 1.00 1.12 C ATOM 1118 O GLU A 75 -11.761 -2.690 3.644 1.00 54.31 O ATOM 1119 CB GLU A 75 -8.738 -3.376 4.435 1.00 25.31 C ATOM 1120 CG GLU A 75 -8.634 -2.404 5.598 1.00 21.34 C ATOM 1121 CD GLU A 75 -9.882 -2.390 6.460 1.00 44.21 C ATOM 1122 OE1 GLU A 75 -10.568 -3.431 6.526 1.00 21.41 O ATOM 1123 OE2 GLU A 75 -10.174 -1.338 7.065 1.00 34.35 O ATOM 0 H GLU A 75 -7.566 -1.798 2.945 1.00 74.15 H new ATOM 0 HA GLU A 75 -9.645 -3.581 2.497 1.00 43.12 H new ATOM 0 HB2 GLU A 75 -9.303 -4.252 4.754 1.00 25.31 H new ATOM 0 HB3 GLU A 75 -7.738 -3.721 4.170 1.00 25.31 H new ATOM 0 HG2 GLU A 75 -7.775 -2.670 6.214 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -8.452 -1.401 5.213 1.00 21.34 H new ATOM 1130 N GLY A 76 -10.600 -0.775 3.862 1.00 73.44 N ATOM 1131 CA GLY A 76 -11.769 -0.008 4.249 1.00 4.01 C ATOM 1132 C GLY A 76 -12.706 0.246 3.086 1.00 41.45 C ATOM 1133 O GLY A 76 -13.907 0.448 3.277 1.00 22.11 O ATOM 0 H GLY A 76 -9.731 -0.242 3.823 1.00 73.44 H new ATOM 0 HA2 GLY A 76 -12.306 -0.540 5.034 1.00 4.01 H new ATOM 0 HA3 GLY A 76 -11.451 0.946 4.670 1.00 4.01 H new ATOM 1137 N LEU A 77 -12.159 0.239 1.875 1.00 15.33 N ATOM 1138 CA LEU A 77 -12.955 0.473 0.674 1.00 62.21 C ATOM 1139 C LEU A 77 -13.705 -0.791 0.264 1.00 34.21 C ATOM 1140 O LEU A 77 -14.902 -0.750 -0.022 1.00 33.53 O ATOM 1141 CB LEU A 77 -12.058 0.942 -0.473 1.00 34.24 C ATOM 1142 CG LEU A 77 -11.504 2.362 -0.353 1.00 63.02 C ATOM 1143 CD1 LEU A 77 -10.276 2.533 -1.235 1.00 71.21 C ATOM 1144 CD2 LEU A 77 -12.572 3.383 -0.720 1.00 25.54 C ATOM 0 H LEU A 77 -11.168 0.074 1.698 1.00 15.33 H new ATOM 0 HA LEU A 77 -13.685 1.251 0.897 1.00 62.21 H new ATOM 0 HB2 LEU A 77 -11.219 0.252 -0.557 1.00 34.24 H new ATOM 0 HB3 LEU A 77 -12.623 0.871 -1.402 1.00 34.24 H new ATOM 0 HG LEU A 77 -11.208 2.530 0.683 1.00 63.02 H new ATOM 0 HD11 LEU A 77 -9.896 3.550 -1.136 1.00 71.21 H new ATOM 0 HD12 LEU A 77 -9.506 1.826 -0.927 1.00 71.21 H new ATOM 0 HD13 LEU A 77 -10.546 2.346 -2.274 1.00 71.21 H new ATOM 0 HD21 LEU A 77 -12.161 4.388 -0.629 1.00 25.54 H new ATOM 0 HD22 LEU A 77 -12.898 3.216 -1.747 1.00 25.54 H new ATOM 0 HD23 LEU A 77 -13.423 3.277 -0.047 1.00 25.54 H new ATOM 1156 N LEU A 78 -12.994 -1.913 0.238 1.00 11.43 N ATOM 1157 CA LEU A 78 -13.593 -3.189 -0.136 1.00 21.54 C ATOM 1158 C LEU A 78 -14.812 -3.492 0.729 1.00 34.15 C ATOM 1159 O LEU A 78 -15.763 -4.126 0.275 1.00 75.31 O ATOM 1160 CB LEU A 78 -12.565 -4.315 0.000 1.00 72.53 C ATOM 1161 CG LEU A 78 -11.527 -4.415 -1.118 1.00 55.42 C ATOM 1162 CD1 LEU A 78 -10.346 -3.500 -0.833 1.00 70.15 C ATOM 1163 CD2 LEU A 78 -11.062 -5.854 -1.289 1.00 32.04 C ATOM 0 H LEU A 78 -12.002 -1.965 0.471 1.00 11.43 H new ATOM 0 HA LEU A 78 -13.915 -3.121 -1.175 1.00 21.54 H new ATOM 0 HB2 LEU A 78 -12.039 -4.187 0.946 1.00 72.53 H new ATOM 0 HB3 LEU A 78 -13.100 -5.263 0.058 1.00 72.53 H new ATOM 0 HG LEU A 78 -11.993 -4.093 -2.050 1.00 55.42 H new ATOM 0 HD11 LEU A 78 -9.617 -3.584 -1.639 1.00 70.15 H new ATOM 0 HD12 LEU A 78 -10.693 -2.469 -0.764 1.00 70.15 H new ATOM 0 HD13 LEU A 78 -9.880 -3.790 0.109 1.00 70.15 H new ATOM 0 HD21 LEU A 78 -10.324 -5.905 -2.089 1.00 32.04 H new ATOM 0 HD22 LEU A 78 -10.614 -6.205 -0.359 1.00 32.04 H new ATOM 0 HD23 LEU A 78 -11.915 -6.484 -1.541 1.00 32.04 H new ATOM 1175 N GLU A 79 -14.777 -3.031 1.976 1.00 55.33 N ATOM 1176 CA GLU A 79 -15.881 -3.252 2.903 1.00 41.40 C ATOM 1177 C GLU A 79 -17.121 -2.475 2.467 1.00 64.43 C ATOM 1178 O GLU A 79 -18.250 -2.924 2.663 1.00 33.44 O ATOM 1179 CB GLU A 79 -15.478 -2.838 4.319 1.00 44.31 C ATOM 1180 CG GLU A 79 -14.394 -3.715 4.925 1.00 53.34 C ATOM 1181 CD GLU A 79 -14.955 -4.953 5.598 1.00 53.11 C ATOM 1182 OE1 GLU A 79 -16.179 -5.179 5.498 1.00 32.51 O ATOM 1183 OE2 GLU A 79 -14.170 -5.695 6.225 1.00 10.43 O ATOM 0 H GLU A 79 -13.997 -2.503 2.367 1.00 55.33 H new ATOM 0 HA GLU A 79 -16.119 -4.316 2.898 1.00 41.40 H new ATOM 0 HB2 GLU A 79 -15.130 -1.805 4.301 1.00 44.31 H new ATOM 0 HB3 GLU A 79 -16.358 -2.867 4.961 1.00 44.31 H new ATOM 0 HG2 GLU A 79 -13.696 -4.015 4.144 1.00 53.34 H new ATOM 0 HG3 GLU A 79 -13.827 -3.135 5.653 1.00 53.34 H new ATOM 1190 N LYS A 80 -16.901 -1.307 1.875 1.00 42.31 N ATOM 1191 CA LYS A 80 -17.998 -0.466 1.410 1.00 1.24 C ATOM 1192 C LYS A 80 -18.896 -1.228 0.442 1.00 74.35 C ATOM 1193 O LYS A 80 -20.082 -0.928 0.311 1.00 34.21 O ATOM 1194 CB LYS A 80 -17.451 0.793 0.732 1.00 63.52 C ATOM 1195 CG LYS A 80 -18.427 1.956 0.732 1.00 44.31 C ATOM 1196 CD LYS A 80 -17.729 3.268 0.412 1.00 15.41 C ATOM 1197 CE LYS A 80 -17.048 3.850 1.641 1.00 21.41 C ATOM 1198 NZ LYS A 80 -16.223 5.044 1.304 1.00 31.40 N ATOM 0 H LYS A 80 -15.972 -0.920 1.705 1.00 42.31 H new ATOM 0 HA LYS A 80 -18.592 -0.176 2.277 1.00 1.24 H new ATOM 0 HB2 LYS A 80 -16.535 1.099 1.237 1.00 63.52 H new ATOM 0 HB3 LYS A 80 -17.183 0.554 -0.297 1.00 63.52 H new ATOM 0 HG2 LYS A 80 -19.213 1.773 -0.000 1.00 44.31 H new ATOM 0 HG3 LYS A 80 -18.910 2.028 1.707 1.00 44.31 H new ATOM 0 HD2 LYS A 80 -16.990 3.106 -0.373 1.00 15.41 H new ATOM 0 HD3 LYS A 80 -18.455 3.983 0.024 1.00 15.41 H new ATOM 0 HE2 LYS A 80 -17.802 4.126 2.378 1.00 21.41 H new ATOM 0 HE3 LYS A 80 -16.416 3.090 2.101 1.00 21.41 H new ATOM 0 HZ1 LYS A 80 -15.775 5.412 2.168 1.00 31.40 H new ATOM 0 HZ2 LYS A 80 -15.487 4.776 0.620 1.00 31.40 H new ATOM 0 HZ3 LYS A 80 -16.830 5.779 0.889 1.00 31.40 H new ATOM 1212 N LYS A 81 -18.323 -2.219 -0.234 1.00 53.01 N ATOM 1213 CA LYS A 81 -19.072 -3.028 -1.188 1.00 42.24 C ATOM 1214 C LYS A 81 -20.221 -3.758 -0.499 1.00 65.11 C ATOM 1215 O LYS A 81 -20.333 -3.740 0.726 1.00 52.23 O ATOM 1216 CB LYS A 81 -18.146 -4.039 -1.868 1.00 43.24 C ATOM 1217 CG LYS A 81 -16.898 -3.413 -2.468 1.00 61.52 C ATOM 1218 CD LYS A 81 -16.051 -4.445 -3.194 1.00 55.12 C ATOM 1219 CE LYS A 81 -15.092 -3.787 -4.175 1.00 63.53 C ATOM 1220 NZ LYS A 81 -13.922 -4.659 -4.474 1.00 22.13 N ATOM 0 H LYS A 81 -17.342 -2.481 -0.138 1.00 53.01 H new ATOM 0 HA LYS A 81 -19.489 -2.361 -1.943 1.00 42.24 H new ATOM 0 HB2 LYS A 81 -17.850 -4.794 -1.140 1.00 43.24 H new ATOM 0 HB3 LYS A 81 -18.698 -4.553 -2.654 1.00 43.24 H new ATOM 0 HG2 LYS A 81 -17.184 -2.622 -3.162 1.00 61.52 H new ATOM 0 HG3 LYS A 81 -16.308 -2.947 -1.679 1.00 61.52 H new ATOM 0 HD2 LYS A 81 -15.486 -5.030 -2.468 1.00 55.12 H new ATOM 0 HD3 LYS A 81 -16.700 -5.140 -3.728 1.00 55.12 H new ATOM 0 HE2 LYS A 81 -15.620 -3.557 -5.101 1.00 63.53 H new ATOM 0 HE3 LYS A 81 -14.744 -2.840 -3.763 1.00 63.53 H new ATOM 0 HZ1 LYS A 81 -13.292 -4.176 -5.146 1.00 22.13 H new ATOM 0 HZ2 LYS A 81 -13.404 -4.858 -3.595 1.00 22.13 H new ATOM 0 HZ3 LYS A 81 -14.253 -5.553 -4.891 1.00 22.13 H new ATOM 1234 N ALA A 82 -21.069 -4.400 -1.295 1.00 1.12 N ATOM 1235 CA ALA A 82 -22.207 -5.139 -0.761 1.00 64.21 C ATOM 1236 C ALA A 82 -23.184 -4.206 -0.054 1.00 62.44 C ATOM 1237 O ALA A 82 -23.602 -4.469 1.075 1.00 51.04 O ATOM 1238 CB ALA A 82 -21.730 -6.226 0.190 1.00 72.43 C ATOM 0 H ALA A 82 -20.990 -4.424 -2.312 1.00 1.12 H new ATOM 0 HA ALA A 82 -22.730 -5.606 -1.596 1.00 64.21 H new ATOM 0 HB1 ALA A 82 -22.590 -6.770 0.581 1.00 72.43 H new ATOM 0 HB2 ALA A 82 -21.077 -6.916 -0.344 1.00 72.43 H new ATOM 0 HB3 ALA A 82 -21.181 -5.772 1.015 1.00 72.43 H new TER 1244 ALA A 82