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+ -114:sc= 0.0964 (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 -126:sc= 0.494 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -130:sc= -0.505 (180deg=-3.53!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -71:sc= 0.0352 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 69:sc= 0.606 USER MOD Single : A 46 MET CE :methyl -109:sc= -1.9 (180deg=-3.25!) USER MOD Single : A 47 ASN : amide:sc= -0.0417 X(o=-0.042,f=-0.057) USER MOD Single : A 55 ASN : amide:sc= -0.0744 X(o=-0.074,f=-0.074) USER MOD Single : A 60 LYS NZ :NH3+ -155:sc= -0.0689 (180deg=-0.463) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.723 USER MOD Single : A 68 GLN : amide:sc= -2.01 K(o=-2,f=-0.65) USER MOD Single : A 69 GLN : amide:sc= -0.0143 X(o=-0.014,f=-0.37) 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 -6.996 -3.144 9.119 1.00 0.00 N ATOM 2 CA ALA A 1 -6.768 -4.181 8.121 1.00 71.14 C ATOM 3 C ALA A 1 -6.320 -5.483 8.774 1.00 20.40 C ATOM 4 O ALA A 1 -6.121 -5.545 9.988 1.00 45.03 O ATOM 5 CB ALA A 1 -5.738 -3.717 7.103 1.00 4.31 C ATOM 0 H1 ALA A 1 -8.007 -2.899 9.141 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.704 -3.492 10.054 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.440 -2.299 8.875 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.711 -4.369 7.607 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -5.578 -4.502 6.364 1.00 4.31 H new ATOM 0 HB2 ALA A 1 -6.099 -2.817 6.605 1.00 4.31 H new ATOM 0 HB3 ALA A 1 -4.798 -3.499 7.610 1.00 4.31 H new ATOM 11 N LYS A 2 -6.163 -6.524 7.964 1.00 4.30 N ATOM 12 CA LYS A 2 -5.737 -7.826 8.461 1.00 22.33 C ATOM 13 C LYS A 2 -4.351 -8.184 7.933 1.00 31.41 C ATOM 14 O LYS A 2 -3.925 -7.687 6.891 1.00 1.35 O ATOM 15 CB LYS A 2 -6.744 -8.905 8.056 1.00 20.05 C ATOM 16 CG LYS A 2 -7.147 -8.842 6.593 1.00 24.24 C ATOM 17 CD LYS A 2 -8.515 -8.207 6.418 1.00 14.25 C ATOM 18 CE LYS A 2 -9.631 -9.210 6.663 1.00 72.00 C ATOM 19 NZ LYS A 2 -10.039 -9.903 5.410 1.00 53.13 N ATOM 0 H LYS A 2 -6.325 -6.491 6.958 1.00 4.30 H new ATOM 0 HA LYS A 2 -5.689 -7.773 9.549 1.00 22.33 H new ATOM 0 HB2 LYS A 2 -6.317 -9.886 8.265 1.00 20.05 H new ATOM 0 HB3 LYS A 2 -7.636 -8.808 8.675 1.00 20.05 H new ATOM 0 HG2 LYS A 2 -6.406 -8.270 6.035 1.00 24.24 H new ATOM 0 HG3 LYS A 2 -7.156 -9.848 6.174 1.00 24.24 H new ATOM 0 HD2 LYS A 2 -8.619 -7.370 7.108 1.00 14.25 H new ATOM 0 HD3 LYS A 2 -8.603 -7.802 5.410 1.00 14.25 H new ATOM 0 HE2 LYS A 2 -9.302 -9.947 7.395 1.00 72.00 H new ATOM 0 HE3 LYS A 2 -10.492 -8.697 7.091 1.00 72.00 H new ATOM 0 HZ1 LYS A 2 -10.802 -10.578 5.619 1.00 53.13 H new ATOM 0 HZ2 LYS A 2 -10.377 -9.202 4.720 1.00 53.13 H new ATOM 0 HZ3 LYS A 2 -9.224 -10.413 5.014 1.00 53.13 H new ATOM 33 N LYS A 3 -3.653 -9.052 8.658 1.00 63.15 N ATOM 34 CA LYS A 3 -2.317 -9.481 8.261 1.00 52.51 C ATOM 35 C LYS A 3 -2.310 -9.977 6.818 1.00 30.12 C ATOM 36 O LYS A 3 -1.300 -9.874 6.123 1.00 40.44 O ATOM 37 CB LYS A 3 -1.815 -10.586 9.193 1.00 34.14 C ATOM 38 CG LYS A 3 -2.463 -11.935 8.941 1.00 72.42 C ATOM 39 CD LYS A 3 -3.912 -11.953 9.399 1.00 30.13 C ATOM 40 CE LYS A 3 -4.344 -13.345 9.833 1.00 42.54 C ATOM 41 NZ LYS A 3 -4.622 -14.228 8.666 1.00 14.21 N ATOM 0 H LYS A 3 -3.991 -9.472 9.524 1.00 63.15 H new ATOM 0 HA LYS A 3 -1.651 -8.621 8.335 1.00 52.51 H new ATOM 0 HB2 LYS A 3 -0.735 -10.684 9.078 1.00 34.14 H new ATOM 0 HB3 LYS A 3 -2.000 -10.291 10.226 1.00 34.14 H new ATOM 0 HG2 LYS A 3 -2.414 -12.170 7.878 1.00 72.42 H new ATOM 0 HG3 LYS A 3 -1.905 -12.711 9.465 1.00 72.42 H new ATOM 0 HD2 LYS A 3 -4.041 -11.256 10.227 1.00 30.13 H new ATOM 0 HD3 LYS A 3 -4.555 -11.608 8.589 1.00 30.13 H new ATOM 0 HE2 LYS A 3 -3.564 -13.792 10.449 1.00 42.54 H new ATOM 0 HE3 LYS A 3 -5.237 -13.271 10.454 1.00 42.54 H new ATOM 0 HZ1 LYS A 3 -4.913 -15.168 9.003 1.00 14.21 H new ATOM 0 HZ2 LYS A 3 -5.384 -13.815 8.092 1.00 14.21 H new ATOM 0 HZ3 LYS A 3 -3.763 -14.319 8.087 1.00 14.21 H new ATOM 55 N GLU A 4 -3.444 -10.512 6.376 1.00 20.30 N ATOM 56 CA GLU A 4 -3.567 -11.023 5.016 1.00 4.54 C ATOM 57 C GLU A 4 -3.553 -9.881 4.003 1.00 32.44 C ATOM 58 O GLU A 4 -2.914 -9.973 2.955 1.00 3.50 O ATOM 59 CB GLU A 4 -4.854 -11.836 4.867 1.00 23.23 C ATOM 60 CG GLU A 4 -4.685 -13.309 5.198 1.00 40.43 C ATOM 61 CD GLU A 4 -6.011 -14.019 5.394 1.00 21.25 C ATOM 62 OE1 GLU A 4 -7.041 -13.327 5.523 1.00 53.50 O ATOM 63 OE2 GLU A 4 -6.016 -15.268 5.421 1.00 2.14 O ATOM 0 H GLU A 4 -4.290 -10.603 6.939 1.00 20.30 H new ATOM 0 HA GLU A 4 -2.713 -11.671 4.820 1.00 4.54 H new ATOM 0 HB2 GLU A 4 -5.619 -11.412 5.517 1.00 23.23 H new ATOM 0 HB3 GLU A 4 -5.217 -11.742 3.844 1.00 23.23 H new ATOM 0 HG2 GLU A 4 -4.131 -13.797 4.396 1.00 40.43 H new ATOM 0 HG3 GLU A 4 -4.087 -13.408 6.104 1.00 40.43 H new ATOM 70 N THR A 5 -4.265 -8.805 4.324 1.00 4.53 N ATOM 71 CA THR A 5 -4.336 -7.646 3.443 1.00 40.34 C ATOM 72 C THR A 5 -2.989 -6.938 3.353 1.00 73.31 C ATOM 73 O THR A 5 -2.584 -6.486 2.283 1.00 42.23 O ATOM 74 CB THR A 5 -5.400 -6.641 3.922 1.00 13.02 C ATOM 75 OG1 THR A 5 -6.682 -7.277 3.984 1.00 15.54 O ATOM 76 CG2 THR A 5 -5.469 -5.440 2.991 1.00 73.51 C ATOM 0 H THR A 5 -4.800 -8.712 5.187 1.00 4.53 H new ATOM 0 HA THR A 5 -4.614 -8.017 2.456 1.00 40.34 H new ATOM 0 HB THR A 5 -5.118 -6.294 4.916 1.00 13.02 H new ATOM 0 HG1 THR A 5 -7.330 -6.758 3.464 1.00 15.54 H new ATOM 0 HG21 THR A 5 -6.227 -4.744 3.350 1.00 73.51 H new ATOM 0 HG22 THR A 5 -4.500 -4.941 2.969 1.00 73.51 H new ATOM 0 HG23 THR A 5 -5.729 -5.773 1.986 1.00 73.51 H new ATOM 84 N ILE A 6 -2.298 -6.846 4.485 1.00 71.24 N ATOM 85 CA ILE A 6 -0.995 -6.196 4.534 1.00 2.42 C ATOM 86 C ILE A 6 0.002 -6.892 3.614 1.00 40.54 C ATOM 87 O ILE A 6 0.847 -6.245 2.993 1.00 33.30 O ATOM 88 CB ILE A 6 -0.428 -6.175 5.966 1.00 40.32 C ATOM 89 CG1 ILE A 6 -1.389 -5.449 6.908 1.00 12.30 C ATOM 90 CG2 ILE A 6 0.942 -5.514 5.983 1.00 15.02 C ATOM 91 CD1 ILE A 6 -1.166 -5.774 8.367 1.00 72.51 C ATOM 0 H ILE A 6 -2.620 -7.214 5.380 1.00 71.24 H new ATOM 0 HA ILE A 6 -1.142 -5.170 4.196 1.00 2.42 H new ATOM 0 HB ILE A 6 -0.318 -7.202 6.313 1.00 40.32 H new ATOM 0 HG12 ILE A 6 -1.283 -4.374 6.764 1.00 12.30 H new ATOM 0 HG13 ILE A 6 -2.413 -5.708 6.639 1.00 12.30 H new ATOM 0 HG21 ILE A 6 1.330 -5.507 7.002 1.00 15.02 H new ATOM 0 HG22 ILE A 6 1.623 -6.071 5.340 1.00 15.02 H new ATOM 0 HG23 ILE A 6 0.856 -4.490 5.620 1.00 15.02 H new ATOM 0 HD11 ILE A 6 -1.883 -5.224 8.976 1.00 72.51 H new ATOM 0 HD12 ILE A 6 -1.301 -6.844 8.526 1.00 72.51 H new ATOM 0 HD13 ILE A 6 -0.153 -5.489 8.653 1.00 72.51 H new ATOM 103 N ASP A 7 -0.104 -8.213 3.529 1.00 45.33 N ATOM 104 CA ASP A 7 0.786 -8.998 2.681 1.00 24.44 C ATOM 105 C ASP A 7 0.556 -8.679 1.208 1.00 44.13 C ATOM 106 O ASP A 7 1.503 -8.564 0.430 1.00 4.52 O ATOM 107 CB ASP A 7 0.578 -10.493 2.932 1.00 11.12 C ATOM 108 CG ASP A 7 1.657 -11.343 2.291 1.00 41.33 C ATOM 109 OD1 ASP A 7 2.845 -11.143 2.619 1.00 12.44 O ATOM 110 OD2 ASP A 7 1.313 -12.212 1.462 1.00 14.40 O ATOM 0 H ASP A 7 -0.797 -8.763 4.037 1.00 45.33 H new ATOM 0 HA ASP A 7 1.813 -8.735 2.934 1.00 24.44 H new ATOM 0 HB2 ASP A 7 0.563 -10.679 4.006 1.00 11.12 H new ATOM 0 HB3 ASP A 7 -0.395 -10.792 2.543 1.00 11.12 H new ATOM 115 N LYS A 8 -0.711 -8.540 0.829 1.00 5.22 N ATOM 116 CA LYS A 8 -1.067 -8.235 -0.551 1.00 53.12 C ATOM 117 C LYS A 8 -0.440 -6.919 -0.998 1.00 11.44 C ATOM 118 O LYS A 8 0.263 -6.866 -2.007 1.00 2.54 O ATOM 119 CB LYS A 8 -2.588 -8.164 -0.702 1.00 53.15 C ATOM 120 CG LYS A 8 -3.319 -9.335 -0.068 1.00 61.22 C ATOM 121 CD LYS A 8 -4.566 -9.706 -0.852 1.00 43.22 C ATOM 122 CE LYS A 8 -4.217 -10.405 -2.157 1.00 63.33 C ATOM 123 NZ LYS A 8 -5.427 -10.938 -2.842 1.00 73.51 N ATOM 0 H LYS A 8 -1.508 -8.634 1.459 1.00 5.22 H new ATOM 0 HA LYS A 8 -0.681 -9.034 -1.184 1.00 53.12 H new ATOM 0 HB2 LYS A 8 -2.946 -7.237 -0.253 1.00 53.15 H new ATOM 0 HB3 LYS A 8 -2.838 -8.122 -1.762 1.00 53.15 H new ATOM 0 HG2 LYS A 8 -2.652 -10.196 -0.015 1.00 61.22 H new ATOM 0 HG3 LYS A 8 -3.594 -9.082 0.956 1.00 61.22 H new ATOM 0 HD2 LYS A 8 -5.197 -10.357 -0.247 1.00 43.22 H new ATOM 0 HD3 LYS A 8 -5.145 -8.807 -1.063 1.00 43.22 H new ATOM 0 HE2 LYS A 8 -3.704 -9.706 -2.818 1.00 63.33 H new ATOM 0 HE3 LYS A 8 -3.523 -11.222 -1.957 1.00 63.33 H new ATOM 0 HZ1 LYS A 8 -5.147 -11.407 -3.727 1.00 73.51 H new ATOM 0 HZ2 LYS A 8 -5.903 -11.624 -2.222 1.00 73.51 H new ATOM 0 HZ3 LYS A 8 -6.078 -10.156 -3.056 1.00 73.51 H new ATOM 137 N VAL A 9 -0.697 -5.858 -0.239 1.00 25.14 N ATOM 138 CA VAL A 9 -0.154 -4.542 -0.555 1.00 61.13 C ATOM 139 C VAL A 9 1.370 -4.561 -0.552 1.00 45.13 C ATOM 140 O VAL A 9 2.007 -4.123 -1.510 1.00 25.23 O ATOM 141 CB VAL A 9 -0.645 -3.478 0.444 1.00 31.05 C ATOM 142 CG1 VAL A 9 -0.166 -2.095 0.031 1.00 71.23 C ATOM 143 CG2 VAL A 9 -2.161 -3.514 0.559 1.00 53.50 C ATOM 0 H VAL A 9 -1.278 -5.884 0.599 1.00 25.14 H new ATOM 0 HA VAL A 9 -0.509 -4.284 -1.553 1.00 61.13 H new ATOM 0 HB VAL A 9 -0.224 -3.704 1.424 1.00 31.05 H new ATOM 0 HG11 VAL A 9 -0.523 -1.357 0.749 1.00 71.23 H new ATOM 0 HG12 VAL A 9 0.924 -2.080 0.006 1.00 71.23 H new ATOM 0 HG13 VAL A 9 -0.555 -1.856 -0.959 1.00 71.23 H new ATOM 0 HG21 VAL A 9 -2.490 -2.755 1.269 1.00 53.50 H new ATOM 0 HG22 VAL A 9 -2.605 -3.315 -0.416 1.00 53.50 H new ATOM 0 HG23 VAL A 9 -2.476 -4.498 0.907 1.00 53.50 H new ATOM 153 N SER A 10 1.949 -5.071 0.530 1.00 51.43 N ATOM 154 CA SER A 10 3.399 -5.145 0.659 1.00 41.24 C ATOM 155 C SER A 10 4.019 -5.821 -0.560 1.00 34.34 C ATOM 156 O SER A 10 5.108 -5.453 -1.000 1.00 45.54 O ATOM 157 CB SER A 10 3.781 -5.907 1.930 1.00 44.31 C ATOM 158 OG SER A 10 5.093 -6.433 1.833 1.00 5.11 O ATOM 0 H SER A 10 1.435 -5.439 1.331 1.00 51.43 H new ATOM 0 HA SER A 10 3.786 -4.128 0.724 1.00 41.24 H new ATOM 0 HB2 SER A 10 3.715 -5.241 2.791 1.00 44.31 H new ATOM 0 HB3 SER A 10 3.072 -6.718 2.099 1.00 44.31 H new ATOM 0 HG SER A 10 5.314 -6.914 2.658 1.00 5.11 H new ATOM 164 N ASP A 11 3.318 -6.813 -1.099 1.00 11.13 N ATOM 165 CA ASP A 11 3.797 -7.541 -2.267 1.00 45.33 C ATOM 166 C ASP A 11 3.896 -6.619 -3.480 1.00 65.41 C ATOM 167 O ASP A 11 4.885 -6.648 -4.213 1.00 10.53 O ATOM 168 CB ASP A 11 2.870 -8.716 -2.579 1.00 72.51 C ATOM 169 CG ASP A 11 3.632 -9.973 -2.951 1.00 74.42 C ATOM 170 OD1 ASP A 11 4.720 -10.197 -2.381 1.00 4.54 O ATOM 171 OD2 ASP A 11 3.140 -10.733 -3.811 1.00 20.43 O ATOM 0 H ASP A 11 2.416 -7.131 -0.745 1.00 11.13 H new ATOM 0 HA ASP A 11 4.792 -7.924 -2.042 1.00 45.33 H new ATOM 0 HB2 ASP A 11 2.241 -8.919 -1.712 1.00 72.51 H new ATOM 0 HB3 ASP A 11 2.205 -8.442 -3.398 1.00 72.51 H new ATOM 176 N ILE A 12 2.866 -5.806 -3.683 1.00 51.21 N ATOM 177 CA ILE A 12 2.837 -4.877 -4.806 1.00 20.43 C ATOM 178 C ILE A 12 3.807 -3.721 -4.587 1.00 0.31 C ATOM 179 O ILE A 12 4.471 -3.267 -5.521 1.00 75.14 O ATOM 180 CB ILE A 12 1.423 -4.309 -5.031 1.00 64.34 C ATOM 181 CG1 ILE A 12 0.432 -5.444 -5.298 1.00 12.21 C ATOM 182 CG2 ILE A 12 1.427 -3.320 -6.186 1.00 43.14 C ATOM 183 CD1 ILE A 12 -0.883 -5.280 -4.569 1.00 73.13 C ATOM 0 H ILE A 12 2.040 -5.771 -3.085 1.00 51.21 H new ATOM 0 HA ILE A 12 3.138 -5.440 -5.689 1.00 20.43 H new ATOM 0 HB ILE A 12 1.111 -3.782 -4.129 1.00 64.34 H new ATOM 0 HG12 ILE A 12 0.240 -5.503 -6.369 1.00 12.21 H new ATOM 0 HG13 ILE A 12 0.887 -6.390 -5.003 1.00 12.21 H new ATOM 0 HG21 ILE A 12 0.421 -2.928 -6.332 1.00 43.14 H new ATOM 0 HG22 ILE A 12 2.107 -2.499 -5.960 1.00 43.14 H new ATOM 0 HG23 ILE A 12 1.756 -3.824 -7.095 1.00 43.14 H new ATOM 0 HD11 ILE A 12 -1.537 -6.120 -4.804 1.00 73.13 H new ATOM 0 HD12 ILE A 12 -0.702 -5.251 -3.494 1.00 73.13 H new ATOM 0 HD13 ILE A 12 -1.359 -4.351 -4.882 1.00 73.13 H new ATOM 195 N VAL A 13 3.888 -3.248 -3.347 1.00 53.45 N ATOM 196 CA VAL A 13 4.779 -2.146 -3.005 1.00 71.10 C ATOM 197 C VAL A 13 6.240 -2.557 -3.147 1.00 72.42 C ATOM 198 O VAL A 13 6.994 -1.959 -3.914 1.00 21.43 O ATOM 199 CB VAL A 13 4.533 -1.651 -1.568 1.00 23.20 C ATOM 200 CG1 VAL A 13 5.337 -0.391 -1.292 1.00 14.12 C ATOM 201 CG2 VAL A 13 3.050 -1.410 -1.334 1.00 52.32 C ATOM 0 H VAL A 13 3.347 -3.611 -2.562 1.00 53.45 H new ATOM 0 HA VAL A 13 4.563 -1.336 -3.702 1.00 71.10 H new ATOM 0 HB VAL A 13 4.865 -2.423 -0.875 1.00 23.20 H new ATOM 0 HG11 VAL A 13 5.150 -0.056 -0.272 1.00 14.12 H new ATOM 0 HG12 VAL A 13 6.399 -0.603 -1.416 1.00 14.12 H new ATOM 0 HG13 VAL A 13 5.039 0.391 -1.991 1.00 14.12 H new ATOM 0 HG21 VAL A 13 2.895 -1.061 -0.313 1.00 52.32 H new ATOM 0 HG22 VAL A 13 2.689 -0.657 -2.034 1.00 52.32 H new ATOM 0 HG23 VAL A 13 2.502 -2.340 -1.487 1.00 52.32 H new ATOM 211 N LYS A 14 6.634 -3.586 -2.402 1.00 13.54 N ATOM 212 CA LYS A 14 8.006 -4.080 -2.444 1.00 53.20 C ATOM 213 C LYS A 14 8.426 -4.395 -3.876 1.00 42.21 C ATOM 214 O LYS A 14 9.595 -4.256 -4.233 1.00 51.31 O ATOM 215 CB LYS A 14 8.145 -5.330 -1.573 1.00 71.32 C ATOM 216 CG LYS A 14 7.520 -6.571 -2.186 1.00 32.31 C ATOM 217 CD LYS A 14 7.265 -7.643 -1.139 1.00 32.03 C ATOM 218 CE LYS A 14 8.560 -8.105 -0.488 1.00 50.14 C ATOM 219 NZ LYS A 14 8.416 -9.446 0.143 1.00 34.10 N ATOM 0 H LYS A 14 6.023 -4.093 -1.762 1.00 13.54 H new ATOM 0 HA LYS A 14 8.660 -3.300 -2.056 1.00 53.20 H new ATOM 0 HB2 LYS A 14 9.203 -5.519 -1.390 1.00 71.32 H new ATOM 0 HB3 LYS A 14 7.682 -5.141 -0.604 1.00 71.32 H new ATOM 0 HG2 LYS A 14 6.581 -6.305 -2.671 1.00 32.31 H new ATOM 0 HG3 LYS A 14 8.178 -6.966 -2.960 1.00 32.31 H new ATOM 0 HD2 LYS A 14 6.591 -7.254 -0.375 1.00 32.03 H new ATOM 0 HD3 LYS A 14 6.765 -8.494 -1.602 1.00 32.03 H new ATOM 0 HE2 LYS A 14 9.351 -8.139 -1.237 1.00 50.14 H new ATOM 0 HE3 LYS A 14 8.866 -7.380 0.266 1.00 50.14 H new ATOM 0 HZ1 LYS A 14 9.320 -9.725 0.575 1.00 34.10 H new ATOM 0 HZ2 LYS A 14 7.679 -9.408 0.876 1.00 34.10 H new ATOM 0 HZ3 LYS A 14 8.149 -10.143 -0.581 1.00 34.10 H new ATOM 233 N GLU A 15 7.465 -4.819 -4.691 1.00 35.53 N ATOM 234 CA GLU A 15 7.737 -5.152 -6.084 1.00 71.12 C ATOM 235 C GLU A 15 8.062 -3.899 -6.890 1.00 50.22 C ATOM 236 O GLU A 15 8.838 -3.944 -7.845 1.00 12.15 O ATOM 237 CB GLU A 15 6.538 -5.874 -6.703 1.00 22.21 C ATOM 238 CG GLU A 15 6.569 -7.381 -6.511 1.00 35.45 C ATOM 239 CD GLU A 15 5.324 -8.063 -7.043 1.00 51.14 C ATOM 240 OE1 GLU A 15 5.261 -8.314 -8.265 1.00 24.43 O ATOM 241 OE2 GLU A 15 4.411 -8.345 -6.239 1.00 72.31 O ATOM 0 H GLU A 15 6.492 -4.940 -4.411 1.00 35.53 H new ATOM 0 HA GLU A 15 8.603 -5.814 -6.110 1.00 71.12 H new ATOM 0 HB2 GLU A 15 5.621 -5.479 -6.265 1.00 22.21 H new ATOM 0 HB3 GLU A 15 6.503 -5.653 -7.770 1.00 22.21 H new ATOM 0 HG2 GLU A 15 7.445 -7.790 -7.014 1.00 35.45 H new ATOM 0 HG3 GLU A 15 6.677 -7.606 -5.450 1.00 35.45 H new ATOM 248 N LYS A 16 7.460 -2.779 -6.501 1.00 71.24 N ATOM 249 CA LYS A 16 7.684 -1.512 -7.185 1.00 43.22 C ATOM 250 C LYS A 16 8.970 -0.850 -6.699 1.00 34.11 C ATOM 251 O LYS A 16 9.577 -0.051 -7.412 1.00 53.31 O ATOM 252 CB LYS A 16 6.497 -0.571 -6.961 1.00 42.33 C ATOM 253 CG LYS A 16 5.191 -1.093 -7.533 1.00 51.23 C ATOM 254 CD LYS A 16 5.053 -0.754 -9.008 1.00 25.22 C ATOM 255 CE LYS A 16 4.860 0.741 -9.221 1.00 64.53 C ATOM 256 NZ LYS A 16 5.685 1.251 -10.351 1.00 72.21 N ATOM 0 H LYS A 16 6.813 -2.724 -5.715 1.00 71.24 H new ATOM 0 HA LYS A 16 7.782 -1.716 -8.251 1.00 43.22 H new ATOM 0 HB2 LYS A 16 6.374 -0.403 -5.891 1.00 42.33 H new ATOM 0 HB3 LYS A 16 6.721 0.396 -7.412 1.00 42.33 H new ATOM 0 HG2 LYS A 16 5.141 -2.174 -7.401 1.00 51.23 H new ATOM 0 HG3 LYS A 16 4.354 -0.665 -6.981 1.00 51.23 H new ATOM 0 HD2 LYS A 16 5.942 -1.087 -9.544 1.00 25.22 H new ATOM 0 HD3 LYS A 16 4.206 -1.295 -9.429 1.00 25.22 H new ATOM 0 HE2 LYS A 16 3.808 0.947 -9.418 1.00 64.53 H new ATOM 0 HE3 LYS A 16 5.124 1.275 -8.308 1.00 64.53 H new ATOM 0 HZ1 LYS A 16 6.215 2.091 -10.042 1.00 72.21 H new ATOM 0 HZ2 LYS A 16 6.351 0.513 -10.655 1.00 72.21 H new ATOM 0 HZ3 LYS A 16 5.065 1.506 -11.146 1.00 72.21 H new ATOM 270 N LEU A 17 9.379 -1.189 -5.482 1.00 71.21 N ATOM 271 CA LEU A 17 10.594 -0.629 -4.900 1.00 25.13 C ATOM 272 C LEU A 17 11.784 -1.557 -5.124 1.00 72.45 C ATOM 273 O LEU A 17 12.933 -1.173 -4.912 1.00 33.13 O ATOM 274 CB LEU A 17 10.400 -0.382 -3.403 1.00 70.50 C ATOM 275 CG LEU A 17 9.170 0.436 -3.012 1.00 32.23 C ATOM 276 CD1 LEU A 17 9.159 0.700 -1.513 1.00 40.33 C ATOM 277 CD2 LEU A 17 9.133 1.746 -3.786 1.00 35.24 C ATOM 0 H LEU A 17 8.888 -1.849 -4.879 1.00 71.21 H new ATOM 0 HA LEU A 17 10.799 0.320 -5.395 1.00 25.13 H new ATOM 0 HB2 LEU A 17 10.344 -1.347 -2.900 1.00 70.50 H new ATOM 0 HB3 LEU A 17 11.286 0.126 -3.021 1.00 70.50 H new ATOM 0 HG LEU A 17 8.279 -0.139 -3.266 1.00 32.23 H new ATOM 0 HD11 LEU A 17 8.276 1.284 -1.253 1.00 40.33 H new ATOM 0 HD12 LEU A 17 9.138 -0.249 -0.977 1.00 40.33 H new ATOM 0 HD13 LEU A 17 10.055 1.254 -1.235 1.00 40.33 H new ATOM 0 HD21 LEU A 17 8.250 2.316 -3.495 1.00 35.24 H new ATOM 0 HD22 LEU A 17 10.029 2.326 -3.563 1.00 35.24 H new ATOM 0 HD23 LEU A 17 9.093 1.536 -4.855 1.00 35.24 H new ATOM 289 N ALA A 18 11.498 -2.781 -5.557 1.00 3.20 N ATOM 290 CA ALA A 18 12.545 -3.763 -5.815 1.00 33.31 C ATOM 291 C ALA A 18 11.957 -5.062 -6.355 1.00 54.42 C ATOM 292 O ALA A 18 10.749 -5.165 -6.575 1.00 51.21 O ATOM 293 CB ALA A 18 13.343 -4.029 -4.547 1.00 75.44 C ATOM 0 H ALA A 18 10.551 -3.116 -5.736 1.00 3.20 H new ATOM 0 HA ALA A 18 13.214 -3.355 -6.573 1.00 33.31 H new ATOM 0 HB1 ALA A 18 14.121 -4.764 -4.754 1.00 75.44 H new ATOM 0 HB2 ALA A 18 13.802 -3.101 -4.205 1.00 75.44 H new ATOM 0 HB3 ALA A 18 12.679 -4.413 -3.773 1.00 75.44 H new ATOM 299 N LEU A 19 12.817 -6.052 -6.569 1.00 23.15 N ATOM 300 CA LEU A 19 12.383 -7.345 -7.085 1.00 33.33 C ATOM 301 C LEU A 19 11.618 -8.127 -6.021 1.00 52.15 C ATOM 302 O LEU A 19 10.836 -9.022 -6.337 1.00 23.54 O ATOM 303 CB LEU A 19 13.589 -8.157 -7.561 1.00 54.52 C ATOM 304 CG LEU A 19 14.192 -7.737 -8.902 1.00 71.12 C ATOM 305 CD1 LEU A 19 15.155 -6.575 -8.715 1.00 31.41 C ATOM 306 CD2 LEU A 19 14.897 -8.914 -9.561 1.00 51.35 C ATOM 0 H LEU A 19 13.819 -5.984 -6.393 1.00 23.15 H new ATOM 0 HA LEU A 19 11.716 -7.167 -7.929 1.00 33.33 H new ATOM 0 HB2 LEU A 19 14.367 -8.095 -6.800 1.00 54.52 H new ATOM 0 HB3 LEU A 19 13.293 -9.204 -7.630 1.00 54.52 H new ATOM 0 HG LEU A 19 13.383 -7.410 -9.555 1.00 71.12 H new ATOM 0 HD11 LEU A 19 15.574 -6.291 -9.680 1.00 31.41 H new ATOM 0 HD12 LEU A 19 14.622 -5.726 -8.286 1.00 31.41 H new ATOM 0 HD13 LEU A 19 15.960 -6.874 -8.044 1.00 31.41 H new ATOM 0 HD21 LEU A 19 15.320 -8.597 -10.514 1.00 51.35 H new ATOM 0 HD22 LEU A 19 15.695 -9.271 -8.910 1.00 51.35 H new ATOM 0 HD23 LEU A 19 14.181 -9.718 -9.731 1.00 51.35 H new ATOM 318 N GLY A 20 11.848 -7.779 -4.758 1.00 72.14 N ATOM 319 CA GLY A 20 11.172 -8.456 -3.667 1.00 60.44 C ATOM 320 C GLY A 20 12.013 -9.562 -3.061 1.00 51.41 C ATOM 321 O GLY A 20 11.602 -10.204 -2.095 1.00 23.41 O ATOM 0 H GLY A 20 12.490 -7.040 -4.471 1.00 72.14 H new ATOM 0 HA2 GLY A 20 10.920 -7.730 -2.894 1.00 60.44 H new ATOM 0 HA3 GLY A 20 10.233 -8.875 -4.029 1.00 60.44 H new ATOM 325 N ALA A 21 13.192 -9.786 -3.631 1.00 70.31 N ATOM 326 CA ALA A 21 14.092 -10.822 -3.140 1.00 43.24 C ATOM 327 C ALA A 21 15.191 -10.226 -2.267 1.00 21.25 C ATOM 328 O ALA A 21 15.621 -10.838 -1.289 1.00 74.54 O ATOM 329 CB ALA A 21 14.700 -11.589 -4.306 1.00 70.32 C ATOM 0 H ALA A 21 13.546 -9.264 -4.433 1.00 70.31 H new ATOM 0 HA ALA A 21 13.512 -11.512 -2.528 1.00 43.24 H new ATOM 0 HB1 ALA A 21 15.370 -12.360 -3.925 1.00 70.32 H new ATOM 0 HB2 ALA A 21 13.905 -12.055 -4.889 1.00 70.32 H new ATOM 0 HB3 ALA A 21 15.260 -10.902 -4.940 1.00 70.32 H new ATOM 335 N ASP A 22 15.642 -9.029 -2.626 1.00 44.43 N ATOM 336 CA ASP A 22 16.691 -8.350 -1.874 1.00 53.54 C ATOM 337 C ASP A 22 16.112 -7.210 -1.043 1.00 14.54 C ATOM 338 O ASP A 22 16.848 -6.385 -0.501 1.00 43.35 O ATOM 339 CB ASP A 22 17.762 -7.812 -2.825 1.00 74.43 C ATOM 340 CG ASP A 22 18.658 -8.908 -3.368 1.00 30.52 C ATOM 341 OD1 ASP A 22 18.573 -10.047 -2.863 1.00 24.01 O ATOM 342 OD2 ASP A 22 19.444 -8.626 -4.297 1.00 31.42 O ATOM 0 H ASP A 22 15.298 -8.509 -3.433 1.00 44.43 H new ATOM 0 HA ASP A 22 17.147 -9.073 -1.198 1.00 53.54 H new ATOM 0 HB2 ASP A 22 17.280 -7.296 -3.655 1.00 74.43 H new ATOM 0 HB3 ASP A 22 18.371 -7.075 -2.302 1.00 74.43 H new ATOM 347 N VAL A 23 14.786 -7.168 -0.947 1.00 12.23 N ATOM 348 CA VAL A 23 14.108 -6.129 -0.182 1.00 1.42 C ATOM 349 C VAL A 23 13.069 -6.729 0.759 1.00 51.30 C ATOM 350 O VAL A 23 12.309 -7.618 0.375 1.00 13.14 O ATOM 351 CB VAL A 23 13.417 -5.110 -1.108 1.00 2.13 C ATOM 352 CG1 VAL A 23 12.261 -5.761 -1.851 1.00 3.45 C ATOM 353 CG2 VAL A 23 12.940 -3.905 -0.312 1.00 35.43 C ATOM 0 H VAL A 23 14.161 -7.842 -1.390 1.00 12.23 H new ATOM 0 HA VAL A 23 14.872 -5.617 0.403 1.00 1.42 H new ATOM 0 HB VAL A 23 14.142 -4.765 -1.845 1.00 2.13 H new ATOM 0 HG11 VAL A 23 11.785 -5.026 -2.500 1.00 3.45 H new ATOM 0 HG12 VAL A 23 12.636 -6.588 -2.454 1.00 3.45 H new ATOM 0 HG13 VAL A 23 11.532 -6.136 -1.133 1.00 3.45 H new ATOM 0 HG21 VAL A 23 12.454 -3.195 -0.982 1.00 35.43 H new ATOM 0 HG22 VAL A 23 12.230 -4.229 0.449 1.00 35.43 H new ATOM 0 HG23 VAL A 23 13.793 -3.425 0.168 1.00 35.43 H new ATOM 363 N VAL A 24 13.041 -6.237 1.993 1.00 4.35 N ATOM 364 CA VAL A 24 12.095 -6.723 2.990 1.00 50.00 C ATOM 365 C VAL A 24 11.160 -5.610 3.449 1.00 33.12 C ATOM 366 O VAL A 24 11.606 -4.578 3.953 1.00 55.51 O ATOM 367 CB VAL A 24 12.821 -7.307 4.216 1.00 25.21 C ATOM 368 CG1 VAL A 24 13.783 -6.285 4.803 1.00 71.44 C ATOM 369 CG2 VAL A 24 11.816 -7.767 5.261 1.00 75.24 C ATOM 0 H VAL A 24 13.664 -5.501 2.327 1.00 4.35 H new ATOM 0 HA VAL A 24 11.511 -7.511 2.514 1.00 50.00 H new ATOM 0 HB VAL A 24 13.400 -8.173 3.896 1.00 25.21 H new ATOM 0 HG11 VAL A 24 14.287 -6.715 5.668 1.00 71.44 H new ATOM 0 HG12 VAL A 24 14.523 -6.009 4.052 1.00 71.44 H new ATOM 0 HG13 VAL A 24 13.229 -5.398 5.110 1.00 71.44 H new ATOM 0 HG21 VAL A 24 12.347 -8.177 6.120 1.00 75.24 H new ATOM 0 HG22 VAL A 24 11.209 -6.920 5.580 1.00 75.24 H new ATOM 0 HG23 VAL A 24 11.171 -8.535 4.833 1.00 75.24 H new ATOM 379 N VAL A 25 9.860 -5.825 3.272 1.00 23.22 N ATOM 380 CA VAL A 25 8.861 -4.841 3.670 1.00 33.22 C ATOM 381 C VAL A 25 7.979 -5.375 4.792 1.00 31.52 C ATOM 382 O VAL A 25 7.664 -6.565 4.837 1.00 31.32 O ATOM 383 CB VAL A 25 7.970 -4.433 2.482 1.00 62.03 C ATOM 384 CG1 VAL A 25 6.927 -3.416 2.919 1.00 71.43 C ATOM 385 CG2 VAL A 25 8.817 -3.884 1.344 1.00 24.14 C ATOM 0 H VAL A 25 9.474 -6.672 2.855 1.00 23.22 H new ATOM 0 HA VAL A 25 9.404 -3.965 4.025 1.00 33.22 H new ATOM 0 HB VAL A 25 7.449 -5.320 2.122 1.00 62.03 H new ATOM 0 HG11 VAL A 25 6.308 -3.140 2.066 1.00 71.43 H new ATOM 0 HG12 VAL A 25 6.300 -3.850 3.698 1.00 71.43 H new ATOM 0 HG13 VAL A 25 7.425 -2.528 3.307 1.00 71.43 H new ATOM 0 HG21 VAL A 25 8.171 -3.601 0.513 1.00 24.14 H new ATOM 0 HG22 VAL A 25 9.368 -3.009 1.690 1.00 24.14 H new ATOM 0 HG23 VAL A 25 9.520 -4.648 1.013 1.00 24.14 H new ATOM 395 N THR A 26 7.581 -4.488 5.699 1.00 24.21 N ATOM 396 CA THR A 26 6.736 -4.870 6.823 1.00 72.34 C ATOM 397 C THR A 26 5.757 -3.757 7.178 1.00 13.34 C ATOM 398 O THR A 26 5.924 -2.612 6.756 1.00 73.53 O ATOM 399 CB THR A 26 7.576 -5.216 8.066 1.00 34.21 C ATOM 400 OG1 THR A 26 8.795 -4.465 8.058 1.00 23.24 O ATOM 401 CG2 THR A 26 7.891 -6.703 8.110 1.00 33.41 C ATOM 0 H THR A 26 7.831 -3.499 5.677 1.00 24.21 H new ATOM 0 HA THR A 26 6.179 -5.754 6.513 1.00 72.34 H new ATOM 0 HB THR A 26 6.996 -4.958 8.952 1.00 34.21 H new ATOM 0 HG1 THR A 26 9.323 -4.689 8.853 1.00 23.24 H new ATOM 0 HG21 THR A 26 8.485 -6.923 8.997 1.00 33.41 H new ATOM 0 HG22 THR A 26 6.961 -7.271 8.146 1.00 33.41 H new ATOM 0 HG23 THR A 26 8.453 -6.982 7.219 1.00 33.41 H new ATOM 409 N ALA A 27 4.736 -4.099 7.958 1.00 0.22 N ATOM 410 CA ALA A 27 3.732 -3.126 8.372 1.00 50.35 C ATOM 411 C ALA A 27 4.374 -1.950 9.099 1.00 30.23 C ATOM 412 O ALA A 27 3.831 -0.845 9.115 1.00 64.24 O ATOM 413 CB ALA A 27 2.688 -3.791 9.257 1.00 41.02 C ATOM 0 H ALA A 27 4.583 -5.042 8.316 1.00 0.22 H new ATOM 0 HA ALA A 27 3.243 -2.741 7.477 1.00 50.35 H new ATOM 0 HB1 ALA A 27 1.944 -3.054 9.559 1.00 41.02 H new ATOM 0 HB2 ALA A 27 2.200 -4.593 8.704 1.00 41.02 H new ATOM 0 HB3 ALA A 27 3.171 -4.203 10.143 1.00 41.02 H new ATOM 419 N ASP A 28 5.533 -2.195 9.702 1.00 34.23 N ATOM 420 CA ASP A 28 6.249 -1.155 10.432 1.00 35.20 C ATOM 421 C ASP A 28 7.130 -0.340 9.491 1.00 11.32 C ATOM 422 O ASP A 28 7.523 0.783 9.809 1.00 32.40 O ATOM 423 CB ASP A 28 7.102 -1.775 11.540 1.00 65.20 C ATOM 424 CG ASP A 28 7.608 -0.744 12.528 1.00 11.45 C ATOM 425 OD1 ASP A 28 8.593 -0.047 12.206 1.00 50.31 O ATOM 426 OD2 ASP A 28 7.019 -0.631 13.624 1.00 24.40 O ATOM 0 H ASP A 28 5.996 -3.104 9.700 1.00 34.23 H new ATOM 0 HA ASP A 28 5.513 -0.488 10.881 1.00 35.20 H new ATOM 0 HB2 ASP A 28 6.514 -2.524 12.071 1.00 65.20 H new ATOM 0 HB3 ASP A 28 7.951 -2.293 11.094 1.00 65.20 H new ATOM 431 N SER A 29 7.436 -0.912 8.331 1.00 1.14 N ATOM 432 CA SER A 29 8.275 -0.239 7.345 1.00 33.13 C ATOM 433 C SER A 29 7.534 0.934 6.711 1.00 54.23 C ATOM 434 O SER A 29 6.348 0.835 6.396 1.00 64.14 O ATOM 435 CB SER A 29 8.714 -1.225 6.262 1.00 65.10 C ATOM 436 OG SER A 29 7.783 -1.258 5.194 1.00 24.30 O ATOM 0 H SER A 29 7.116 -1.839 8.051 1.00 1.14 H new ATOM 0 HA SER A 29 9.158 0.146 7.856 1.00 33.13 H new ATOM 0 HB2 SER A 29 9.696 -0.941 5.884 1.00 65.10 H new ATOM 0 HB3 SER A 29 8.814 -2.222 6.692 1.00 65.10 H new ATOM 0 HG SER A 29 6.961 -1.702 5.490 1.00 24.30 H new ATOM 442 N GLU A 30 8.242 2.044 6.528 1.00 32.02 N ATOM 443 CA GLU A 30 7.650 3.237 5.933 1.00 45.13 C ATOM 444 C GLU A 30 8.036 3.358 4.462 1.00 40.22 C ATOM 445 O GLU A 30 9.187 3.131 4.088 1.00 31.31 O ATOM 446 CB GLU A 30 8.097 4.488 6.693 1.00 70.43 C ATOM 447 CG GLU A 30 8.010 4.346 8.203 1.00 71.14 C ATOM 448 CD GLU A 30 8.281 5.650 8.928 1.00 63.43 C ATOM 449 OE1 GLU A 30 7.496 6.604 8.746 1.00 3.21 O ATOM 450 OE2 GLU A 30 9.278 5.716 9.677 1.00 14.41 O ATOM 0 H GLU A 30 9.225 2.142 6.783 1.00 32.02 H new ATOM 0 HA GLU A 30 6.566 3.147 6.001 1.00 45.13 H new ATOM 0 HB2 GLU A 30 9.125 4.722 6.417 1.00 70.43 H new ATOM 0 HB3 GLU A 30 7.483 5.332 6.380 1.00 70.43 H new ATOM 0 HG2 GLU A 30 7.018 3.983 8.474 1.00 71.14 H new ATOM 0 HG3 GLU A 30 8.726 3.594 8.535 1.00 71.14 H new ATOM 457 N PHE A 31 7.063 3.717 3.629 1.00 63.32 N ATOM 458 CA PHE A 31 7.299 3.866 2.198 1.00 0.34 C ATOM 459 C PHE A 31 8.491 4.782 1.935 1.00 22.44 C ATOM 460 O PHE A 31 9.198 4.630 0.939 1.00 73.45 O ATOM 461 CB PHE A 31 6.052 4.425 1.510 1.00 1.23 C ATOM 462 CG PHE A 31 4.845 3.542 1.646 1.00 41.32 C ATOM 463 CD1 PHE A 31 4.792 2.314 1.005 1.00 4.54 C ATOM 464 CD2 PHE A 31 3.763 3.938 2.415 1.00 53.31 C ATOM 465 CE1 PHE A 31 3.684 1.499 1.128 1.00 45.33 C ATOM 466 CE2 PHE A 31 2.652 3.127 2.543 1.00 43.34 C ATOM 467 CZ PHE A 31 2.612 1.906 1.897 1.00 11.11 C ATOM 0 H PHE A 31 6.105 3.910 3.921 1.00 63.32 H new ATOM 0 HA PHE A 31 7.522 2.881 1.788 1.00 0.34 H new ATOM 0 HB2 PHE A 31 5.824 5.405 1.929 1.00 1.23 H new ATOM 0 HB3 PHE A 31 6.266 4.573 0.452 1.00 1.23 H new ATOM 0 HD1 PHE A 31 5.628 1.991 0.402 1.00 4.54 H new ATOM 0 HD2 PHE A 31 3.788 4.892 2.920 1.00 53.31 H new ATOM 0 HE1 PHE A 31 3.656 0.545 0.623 1.00 45.33 H new ATOM 0 HE2 PHE A 31 1.816 3.447 3.147 1.00 43.34 H new ATOM 0 HZ PHE A 31 1.744 1.271 1.994 1.00 11.11 H new ATOM 477 N SER A 32 8.710 5.733 2.838 1.00 74.23 N ATOM 478 CA SER A 32 9.813 6.676 2.704 1.00 65.34 C ATOM 479 C SER A 32 11.144 6.006 3.036 1.00 2.53 C ATOM 480 O SER A 32 12.172 6.306 2.429 1.00 63.34 O ATOM 481 CB SER A 32 9.595 7.883 3.618 1.00 4.34 C ATOM 482 OG SER A 32 8.258 8.347 3.540 1.00 41.40 O ATOM 0 H SER A 32 8.137 5.870 3.671 1.00 74.23 H new ATOM 0 HA SER A 32 9.844 7.015 1.669 1.00 65.34 H new ATOM 0 HB2 SER A 32 9.829 7.611 4.647 1.00 4.34 H new ATOM 0 HB3 SER A 32 10.278 8.684 3.337 1.00 4.34 H new ATOM 0 HG SER A 32 8.144 9.118 4.135 1.00 41.40 H new ATOM 488 N LYS A 33 11.116 5.097 4.005 1.00 12.23 N ATOM 489 CA LYS A 33 12.317 4.383 4.420 1.00 1.51 C ATOM 490 C LYS A 33 12.690 3.309 3.402 1.00 55.44 C ATOM 491 O LYS A 33 13.869 3.030 3.183 1.00 42.33 O ATOM 492 CB LYS A 33 12.108 3.746 5.795 1.00 54.23 C ATOM 493 CG LYS A 33 12.521 4.643 6.949 1.00 54.11 C ATOM 494 CD LYS A 33 13.961 4.394 7.362 1.00 63.44 C ATOM 495 CE LYS A 33 14.192 4.745 8.824 1.00 1.12 C ATOM 496 NZ LYS A 33 14.497 6.192 9.005 1.00 62.14 N ATOM 0 H LYS A 33 10.273 4.837 4.518 1.00 12.23 H new ATOM 0 HA LYS A 33 13.134 5.102 4.480 1.00 1.51 H new ATOM 0 HB2 LYS A 33 11.056 3.483 5.908 1.00 54.23 H new ATOM 0 HB3 LYS A 33 12.676 2.817 5.846 1.00 54.23 H new ATOM 0 HG2 LYS A 33 12.400 5.687 6.661 1.00 54.11 H new ATOM 0 HG3 LYS A 33 11.862 4.469 7.800 1.00 54.11 H new ATOM 0 HD2 LYS A 33 14.212 3.347 7.194 1.00 63.44 H new ATOM 0 HD3 LYS A 33 14.628 4.986 6.735 1.00 63.44 H new ATOM 0 HE2 LYS A 33 13.307 4.485 9.404 1.00 1.12 H new ATOM 0 HE3 LYS A 33 15.016 4.148 9.215 1.00 1.12 H new ATOM 0 HZ1 LYS A 33 14.648 6.391 10.014 1.00 62.14 H new ATOM 0 HZ2 LYS A 33 15.356 6.435 8.472 1.00 62.14 H new ATOM 0 HZ3 LYS A 33 13.700 6.761 8.655 1.00 62.14 H new ATOM 510 N LEU A 34 11.677 2.710 2.783 1.00 1.13 N ATOM 511 CA LEU A 34 11.898 1.668 1.788 1.00 42.00 C ATOM 512 C LEU A 34 12.567 2.239 0.541 1.00 63.14 C ATOM 513 O LEU A 34 13.182 1.508 -0.236 1.00 13.42 O ATOM 514 CB LEU A 34 10.572 1.005 1.412 1.00 65.12 C ATOM 515 CG LEU A 34 9.855 0.254 2.533 1.00 32.42 C ATOM 516 CD1 LEU A 34 8.564 -0.364 2.022 1.00 53.23 C ATOM 517 CD2 LEU A 34 10.763 -0.814 3.126 1.00 51.54 C ATOM 0 H LEU A 34 10.695 2.929 2.953 1.00 1.13 H new ATOM 0 HA LEU A 34 12.561 0.919 2.222 1.00 42.00 H new ATOM 0 HB2 LEU A 34 9.900 1.774 1.029 1.00 65.12 H new ATOM 0 HB3 LEU A 34 10.757 0.308 0.595 1.00 65.12 H new ATOM 0 HG LEU A 34 9.605 0.967 3.319 1.00 32.42 H new ATOM 0 HD11 LEU A 34 8.068 -0.894 2.835 1.00 53.23 H new ATOM 0 HD12 LEU A 34 7.908 0.422 1.648 1.00 53.23 H new ATOM 0 HD13 LEU A 34 8.789 -1.063 1.217 1.00 53.23 H new ATOM 0 HD21 LEU A 34 10.236 -1.339 3.923 1.00 51.54 H new ATOM 0 HD22 LEU A 34 11.045 -1.524 2.349 1.00 51.54 H new ATOM 0 HD23 LEU A 34 11.659 -0.345 3.532 1.00 51.54 H new ATOM 529 N GLY A 35 12.443 3.550 0.356 1.00 23.44 N ATOM 530 CA GLY A 35 13.042 4.197 -0.797 1.00 31.33 C ATOM 531 C GLY A 35 12.005 4.713 -1.774 1.00 5.42 C ATOM 532 O GLY A 35 12.317 4.987 -2.933 1.00 50.22 O ATOM 0 H GLY A 35 11.938 4.176 0.984 1.00 23.44 H new ATOM 0 HA2 GLY A 35 13.665 5.026 -0.462 1.00 31.33 H new ATOM 0 HA3 GLY A 35 13.698 3.491 -1.307 1.00 31.33 H new ATOM 536 N ALA A 36 10.768 4.845 -1.308 1.00 14.52 N ATOM 537 CA ALA A 36 9.682 5.333 -2.150 1.00 31.10 C ATOM 538 C ALA A 36 9.332 6.778 -1.812 1.00 10.02 C ATOM 539 O ALA A 36 8.784 7.061 -0.746 1.00 5.35 O ATOM 540 CB ALA A 36 8.457 4.442 -1.999 1.00 3.24 C ATOM 0 H ALA A 36 10.492 4.621 -0.352 1.00 14.52 H new ATOM 0 HA ALA A 36 10.016 5.301 -3.187 1.00 31.10 H new ATOM 0 HB1 ALA A 36 7.654 4.817 -2.633 1.00 3.24 H new ATOM 0 HB2 ALA A 36 8.709 3.424 -2.297 1.00 3.24 H new ATOM 0 HB3 ALA A 36 8.130 4.446 -0.959 1.00 3.24 H new ATOM 546 N ASP A 37 9.651 7.688 -2.725 1.00 3.21 N ATOM 547 CA ASP A 37 9.370 9.104 -2.524 1.00 51.40 C ATOM 548 C ASP A 37 7.911 9.419 -2.841 1.00 52.44 C ATOM 549 O ASP A 37 7.104 8.516 -3.059 1.00 53.44 O ATOM 550 CB ASP A 37 10.290 9.958 -3.398 1.00 52.02 C ATOM 551 CG ASP A 37 11.674 9.356 -3.543 1.00 75.40 C ATOM 552 OD1 ASP A 37 11.865 8.519 -4.449 1.00 73.43 O ATOM 553 OD2 ASP A 37 12.566 9.722 -2.748 1.00 61.12 O ATOM 0 H ASP A 37 10.105 7.470 -3.612 1.00 3.21 H new ATOM 0 HA ASP A 37 9.555 9.340 -1.476 1.00 51.40 H new ATOM 0 HB2 ASP A 37 9.843 10.075 -4.385 1.00 52.02 H new ATOM 0 HB3 ASP A 37 10.374 10.955 -2.966 1.00 52.02 H new ATOM 558 N SER A 38 7.580 10.706 -2.865 1.00 32.55 N ATOM 559 CA SER A 38 6.217 11.140 -3.149 1.00 62.01 C ATOM 560 C SER A 38 5.740 10.588 -4.489 1.00 34.32 C ATOM 561 O SER A 38 4.686 9.957 -4.574 1.00 71.33 O ATOM 562 CB SER A 38 6.137 12.668 -3.156 1.00 72.35 C ATOM 563 OG SER A 38 4.818 13.108 -3.429 1.00 14.14 O ATOM 0 H SER A 38 8.237 11.467 -2.691 1.00 32.55 H new ATOM 0 HA SER A 38 5.567 10.753 -2.364 1.00 62.01 H new ATOM 0 HB2 SER A 38 6.461 13.057 -2.191 1.00 72.35 H new ATOM 0 HB3 SER A 38 6.820 13.068 -3.906 1.00 72.35 H new ATOM 0 HG SER A 38 4.793 14.088 -3.426 1.00 14.14 H new ATOM 569 N LEU A 39 6.524 10.830 -5.534 1.00 13.11 N ATOM 570 CA LEU A 39 6.183 10.357 -6.871 1.00 13.31 C ATOM 571 C LEU A 39 6.001 8.844 -6.884 1.00 60.31 C ATOM 572 O LEU A 39 5.158 8.316 -7.610 1.00 43.12 O ATOM 573 CB LEU A 39 7.272 10.760 -7.868 1.00 75.31 C ATOM 574 CG LEU A 39 7.717 12.222 -7.822 1.00 14.42 C ATOM 575 CD1 LEU A 39 8.723 12.509 -8.926 1.00 33.45 C ATOM 576 CD2 LEU A 39 6.516 13.150 -7.940 1.00 75.53 C ATOM 0 H LEU A 39 7.400 11.351 -5.481 1.00 13.11 H new ATOM 0 HA LEU A 39 5.240 10.819 -7.164 1.00 13.31 H new ATOM 0 HB2 LEU A 39 8.145 10.130 -7.696 1.00 75.31 H new ATOM 0 HB3 LEU A 39 6.914 10.542 -8.874 1.00 75.31 H new ATOM 0 HG LEU A 39 8.199 12.404 -6.862 1.00 14.42 H new ATOM 0 HD11 LEU A 39 9.028 13.554 -8.877 1.00 33.45 H new ATOM 0 HD12 LEU A 39 9.596 11.870 -8.798 1.00 33.45 H new ATOM 0 HD13 LEU A 39 8.266 12.309 -9.895 1.00 33.45 H new ATOM 0 HD21 LEU A 39 6.852 14.186 -7.905 1.00 75.53 H new ATOM 0 HD22 LEU A 39 6.005 12.966 -8.885 1.00 75.53 H new ATOM 0 HD23 LEU A 39 5.830 12.963 -7.114 1.00 75.53 H new ATOM 588 N ASP A 40 6.793 8.150 -6.074 1.00 4.03 N ATOM 589 CA ASP A 40 6.717 6.696 -5.989 1.00 15.05 C ATOM 590 C ASP A 40 5.433 6.260 -5.290 1.00 31.51 C ATOM 591 O ASP A 40 4.721 5.378 -5.771 1.00 54.23 O ATOM 592 CB ASP A 40 7.932 6.144 -5.243 1.00 62.44 C ATOM 593 CG ASP A 40 9.217 6.298 -6.034 1.00 34.43 C ATOM 594 OD1 ASP A 40 9.569 7.446 -6.374 1.00 24.24 O ATOM 595 OD2 ASP A 40 9.869 5.270 -6.313 1.00 54.35 O ATOM 0 H ASP A 40 7.496 8.571 -5.466 1.00 4.03 H new ATOM 0 HA ASP A 40 6.711 6.296 -7.003 1.00 15.05 H new ATOM 0 HB2 ASP A 40 8.033 6.659 -4.288 1.00 62.44 H new ATOM 0 HB3 ASP A 40 7.770 5.089 -5.021 1.00 62.44 H new ATOM 600 N THR A 41 5.145 6.881 -4.151 1.00 11.14 N ATOM 601 CA THR A 41 3.949 6.555 -3.384 1.00 14.43 C ATOM 602 C THR A 41 2.715 6.522 -4.278 1.00 51.54 C ATOM 603 O THR A 41 1.788 5.746 -4.046 1.00 65.44 O ATOM 604 CB THR A 41 3.717 7.568 -2.246 1.00 64.12 C ATOM 605 OG1 THR A 41 4.971 7.948 -1.666 1.00 52.15 O ATOM 606 CG2 THR A 41 2.814 6.978 -1.173 1.00 3.42 C ATOM 0 H THR A 41 5.724 7.613 -3.739 1.00 11.14 H new ATOM 0 HA THR A 41 4.110 5.567 -2.953 1.00 14.43 H new ATOM 0 HB THR A 41 3.229 8.448 -2.665 1.00 64.12 H new ATOM 0 HG1 THR A 41 5.483 8.479 -2.312 1.00 52.15 H new ATOM 0 HG21 THR A 41 2.664 7.711 -0.380 1.00 3.42 H new ATOM 0 HG22 THR A 41 1.851 6.716 -1.611 1.00 3.42 H new ATOM 0 HG23 THR A 41 3.279 6.084 -0.758 1.00 3.42 H new ATOM 614 N VAL A 42 2.708 7.370 -5.302 1.00 12.43 N ATOM 615 CA VAL A 42 1.588 7.436 -6.232 1.00 3.25 C ATOM 616 C VAL A 42 1.423 6.123 -6.988 1.00 44.54 C ATOM 617 O VAL A 42 0.313 5.608 -7.122 1.00 5.40 O ATOM 618 CB VAL A 42 1.768 8.582 -7.248 1.00 34.44 C ATOM 619 CG1 VAL A 42 0.675 8.536 -8.303 1.00 52.12 C ATOM 620 CG2 VAL A 42 1.778 9.926 -6.536 1.00 4.35 C ATOM 0 H VAL A 42 3.466 8.021 -5.508 1.00 12.43 H new ATOM 0 HA VAL A 42 0.694 7.624 -5.637 1.00 3.25 H new ATOM 0 HB VAL A 42 2.728 8.454 -7.749 1.00 34.44 H new ATOM 0 HG11 VAL A 42 0.818 9.352 -9.011 1.00 52.12 H new ATOM 0 HG12 VAL A 42 0.720 7.584 -8.832 1.00 52.12 H new ATOM 0 HG13 VAL A 42 -0.298 8.639 -7.823 1.00 52.12 H new ATOM 0 HG21 VAL A 42 1.906 10.724 -7.267 1.00 4.35 H new ATOM 0 HG22 VAL A 42 0.835 10.065 -6.008 1.00 4.35 H new ATOM 0 HG23 VAL A 42 2.601 9.953 -5.822 1.00 4.35 H new ATOM 630 N GLU A 43 2.535 5.586 -7.480 1.00 45.52 N ATOM 631 CA GLU A 43 2.513 4.332 -8.224 1.00 72.01 C ATOM 632 C GLU A 43 2.059 3.179 -7.333 1.00 15.11 C ATOM 633 O GLU A 43 1.482 2.203 -7.811 1.00 63.33 O ATOM 634 CB GLU A 43 3.898 4.030 -8.800 1.00 33.32 C ATOM 635 CG GLU A 43 3.893 3.777 -10.298 1.00 72.34 C ATOM 636 CD GLU A 43 3.189 4.874 -11.073 1.00 4.03 C ATOM 637 OE1 GLU A 43 3.800 5.947 -11.266 1.00 52.54 O ATOM 638 OE2 GLU A 43 2.031 4.661 -11.485 1.00 51.21 O ATOM 0 H GLU A 43 3.462 5.999 -7.377 1.00 45.52 H new ATOM 0 HA GLU A 43 1.802 4.438 -9.043 1.00 72.01 H new ATOM 0 HB2 GLU A 43 4.562 4.867 -8.584 1.00 33.32 H new ATOM 0 HB3 GLU A 43 4.310 3.157 -8.294 1.00 33.32 H new ATOM 0 HG2 GLU A 43 4.920 3.690 -10.651 1.00 72.34 H new ATOM 0 HG3 GLU A 43 3.404 2.824 -10.500 1.00 72.34 H new ATOM 645 N ILE A 44 2.323 3.302 -6.037 1.00 33.20 N ATOM 646 CA ILE A 44 1.941 2.272 -5.080 1.00 71.50 C ATOM 647 C ILE A 44 0.425 2.189 -4.936 1.00 72.13 C ATOM 648 O ILE A 44 -0.158 1.107 -5.005 1.00 52.35 O ATOM 649 CB ILE A 44 2.564 2.531 -3.695 1.00 35.40 C ATOM 650 CG1 ILE A 44 4.071 2.757 -3.823 1.00 61.41 C ATOM 651 CG2 ILE A 44 2.274 1.367 -2.758 1.00 20.34 C ATOM 652 CD1 ILE A 44 4.779 1.677 -4.611 1.00 71.41 C ATOM 0 H ILE A 44 2.800 4.104 -5.626 1.00 33.20 H new ATOM 0 HA ILE A 44 2.319 1.326 -5.468 1.00 71.50 H new ATOM 0 HB ILE A 44 2.116 3.431 -3.274 1.00 35.40 H new ATOM 0 HG12 ILE A 44 4.246 3.720 -4.303 1.00 61.41 H new ATOM 0 HG13 ILE A 44 4.508 2.814 -2.826 1.00 61.41 H new ATOM 0 HG21 ILE A 44 2.720 1.564 -1.783 1.00 20.34 H new ATOM 0 HG22 ILE A 44 1.196 1.250 -2.646 1.00 20.34 H new ATOM 0 HG23 ILE A 44 2.697 0.452 -3.172 1.00 20.34 H new ATOM 0 HD11 ILE A 44 5.844 1.902 -4.661 1.00 71.41 H new ATOM 0 HD12 ILE A 44 4.634 0.715 -4.120 1.00 71.41 H new ATOM 0 HD13 ILE A 44 4.369 1.635 -5.620 1.00 71.41 H new ATOM 664 N VAL A 45 -0.208 3.341 -4.736 1.00 43.13 N ATOM 665 CA VAL A 45 -1.657 3.400 -4.587 1.00 32.50 C ATOM 666 C VAL A 45 -2.358 3.176 -5.922 1.00 70.22 C ATOM 667 O VAL A 45 -3.427 2.569 -5.979 1.00 23.23 O ATOM 668 CB VAL A 45 -2.106 4.754 -4.004 1.00 45.05 C ATOM 669 CG1 VAL A 45 -1.661 5.896 -4.904 1.00 42.00 C ATOM 670 CG2 VAL A 45 -3.614 4.775 -3.808 1.00 51.24 C ATOM 0 H VAL A 45 0.260 4.245 -4.674 1.00 43.13 H new ATOM 0 HA VAL A 45 -1.936 2.604 -3.897 1.00 32.50 H new ATOM 0 HB VAL A 45 -1.634 4.886 -3.030 1.00 45.05 H new ATOM 0 HG11 VAL A 45 -1.987 6.844 -4.477 1.00 42.00 H new ATOM 0 HG12 VAL A 45 -0.574 5.890 -4.989 1.00 42.00 H new ATOM 0 HG13 VAL A 45 -2.102 5.773 -5.893 1.00 42.00 H new ATOM 0 HG21 VAL A 45 -3.914 5.738 -3.396 1.00 51.24 H new ATOM 0 HG22 VAL A 45 -4.108 4.621 -4.768 1.00 51.24 H new ATOM 0 HG23 VAL A 45 -3.903 3.980 -3.120 1.00 51.24 H new ATOM 680 N MET A 46 -1.748 3.670 -6.994 1.00 11.41 N ATOM 681 CA MET A 46 -2.313 3.522 -8.330 1.00 61.04 C ATOM 682 C MET A 46 -2.350 2.054 -8.746 1.00 4.33 C ATOM 683 O MET A 46 -3.365 1.563 -9.236 1.00 34.03 O ATOM 684 CB MET A 46 -1.500 4.331 -9.344 1.00 33.11 C ATOM 685 CG MET A 46 -2.305 4.768 -10.557 1.00 63.41 C ATOM 686 SD MET A 46 -3.157 6.335 -10.297 1.00 72.13 S ATOM 687 CE MET A 46 -1.771 7.436 -10.030 1.00 30.21 C ATOM 0 H MET A 46 -0.863 4.176 -6.964 1.00 11.41 H new ATOM 0 HA MET A 46 -3.335 3.901 -8.309 1.00 61.04 H new ATOM 0 HB2 MET A 46 -1.094 5.214 -8.850 1.00 33.11 H new ATOM 0 HB3 MET A 46 -0.652 3.733 -9.677 1.00 33.11 H new ATOM 0 HG2 MET A 46 -1.640 4.859 -11.416 1.00 63.41 H new ATOM 0 HG3 MET A 46 -3.036 3.997 -10.800 1.00 63.41 H new ATOM 0 HE1 MET A 46 -1.741 7.736 -8.982 1.00 30.21 H new ATOM 0 HE2 MET A 46 -0.844 6.923 -10.287 1.00 30.21 H new ATOM 0 HE3 MET A 46 -1.883 8.320 -10.657 1.00 30.21 H new ATOM 697 N ASN A 47 -1.233 1.360 -8.547 1.00 42.30 N ATOM 698 CA ASN A 47 -1.138 -0.051 -8.902 1.00 0.42 C ATOM 699 C ASN A 47 -2.097 -0.889 -8.062 1.00 41.15 C ATOM 700 O ASN A 47 -2.689 -1.851 -8.551 1.00 55.03 O ATOM 701 CB ASN A 47 0.295 -0.551 -8.712 1.00 63.00 C ATOM 702 CG ASN A 47 1.129 -0.410 -9.972 1.00 60.50 C ATOM 703 OD1 ASN A 47 1.452 -1.400 -10.628 1.00 13.11 O ATOM 704 ND2 ASN A 47 1.481 0.823 -10.313 1.00 21.24 N ATOM 0 H ASN A 47 -0.383 1.752 -8.142 1.00 42.30 H new ATOM 0 HA ASN A 47 -1.416 -0.156 -9.951 1.00 0.42 H new ATOM 0 HB2 ASN A 47 0.767 0.006 -7.903 1.00 63.00 H new ATOM 0 HB3 ASN A 47 0.274 -1.598 -8.408 1.00 63.00 H new ATOM 0 HD21 ASN A 47 2.043 0.980 -11.150 1.00 21.24 H new ATOM 0 HD22 ASN A 47 1.190 1.614 -9.738 1.00 21.24 H new ATOM 711 N LEU A 48 -2.245 -0.517 -6.796 1.00 4.03 N ATOM 712 CA LEU A 48 -3.131 -1.234 -5.886 1.00 40.31 C ATOM 713 C LEU A 48 -4.584 -1.117 -6.338 1.00 34.23 C ATOM 714 O LEU A 48 -5.320 -2.103 -6.352 1.00 14.23 O ATOM 715 CB LEU A 48 -2.982 -0.691 -4.464 1.00 22.31 C ATOM 716 CG LEU A 48 -1.696 -1.075 -3.730 1.00 73.13 C ATOM 717 CD1 LEU A 48 -1.435 -0.121 -2.576 1.00 31.03 C ATOM 718 CD2 LEU A 48 -1.776 -2.511 -3.231 1.00 4.12 C ATOM 0 H LEU A 48 -1.763 0.277 -6.376 1.00 4.03 H new ATOM 0 HA LEU A 48 -2.849 -2.287 -5.897 1.00 40.31 H new ATOM 0 HB2 LEU A 48 -3.043 0.397 -4.504 1.00 22.31 H new ATOM 0 HB3 LEU A 48 -3.831 -1.037 -3.874 1.00 22.31 H new ATOM 0 HG LEU A 48 -0.864 -1.001 -4.430 1.00 73.13 H new ATOM 0 HD11 LEU A 48 -0.516 -0.410 -2.066 1.00 31.03 H new ATOM 0 HD12 LEU A 48 -1.333 0.894 -2.959 1.00 31.03 H new ATOM 0 HD13 LEU A 48 -2.268 -0.162 -1.874 1.00 31.03 H new ATOM 0 HD21 LEU A 48 -0.853 -2.768 -2.711 1.00 4.12 H new ATOM 0 HD22 LEU A 48 -2.618 -2.612 -2.546 1.00 4.12 H new ATOM 0 HD23 LEU A 48 -1.914 -3.183 -4.078 1.00 4.12 H new ATOM 730 N GLU A 49 -4.988 0.095 -6.706 1.00 40.44 N ATOM 731 CA GLU A 49 -6.353 0.339 -7.159 1.00 5.35 C ATOM 732 C GLU A 49 -6.716 -0.588 -8.316 1.00 23.44 C ATOM 733 O GLU A 49 -7.853 -1.048 -8.421 1.00 4.45 O ATOM 734 CB GLU A 49 -6.516 1.798 -7.590 1.00 5.41 C ATOM 735 CG GLU A 49 -6.842 2.739 -6.442 1.00 3.02 C ATOM 736 CD GLU A 49 -6.553 4.189 -6.777 1.00 2.34 C ATOM 737 OE1 GLU A 49 -7.181 4.716 -7.720 1.00 35.22 O ATOM 738 OE2 GLU A 49 -5.701 4.798 -6.098 1.00 30.44 O ATOM 0 H GLU A 49 -4.391 0.922 -6.699 1.00 40.44 H new ATOM 0 HA GLU A 49 -7.027 0.135 -6.327 1.00 5.35 H new ATOM 0 HB2 GLU A 49 -5.596 2.131 -8.071 1.00 5.41 H new ATOM 0 HB3 GLU A 49 -7.308 1.861 -8.337 1.00 5.41 H new ATOM 0 HG2 GLU A 49 -7.894 2.634 -6.178 1.00 3.02 H new ATOM 0 HG3 GLU A 49 -6.263 2.450 -5.565 1.00 3.02 H new ATOM 745 N GLU A 50 -5.742 -0.857 -9.180 1.00 31.41 N ATOM 746 CA GLU A 50 -5.960 -1.727 -10.328 1.00 60.05 C ATOM 747 C GLU A 50 -6.023 -3.191 -9.899 1.00 15.14 C ATOM 748 O GLU A 50 -6.673 -4.011 -10.546 1.00 33.44 O ATOM 749 CB GLU A 50 -4.848 -1.535 -11.361 1.00 61.41 C ATOM 750 CG GLU A 50 -5.238 -1.970 -12.764 1.00 11.23 C ATOM 751 CD GLU A 50 -6.049 -0.918 -13.495 1.00 11.43 C ATOM 752 OE1 GLU A 50 -5.488 0.154 -13.806 1.00 73.32 O ATOM 753 OE2 GLU A 50 -7.245 -1.166 -13.758 1.00 22.30 O ATOM 0 H GLU A 50 -4.795 -0.485 -9.106 1.00 31.41 H new ATOM 0 HA GLU A 50 -6.915 -1.457 -10.778 1.00 60.05 H new ATOM 0 HB2 GLU A 50 -4.561 -0.484 -11.382 1.00 61.41 H new ATOM 0 HB3 GLU A 50 -3.970 -2.099 -11.046 1.00 61.41 H new ATOM 0 HG2 GLU A 50 -4.337 -2.191 -13.336 1.00 11.23 H new ATOM 0 HG3 GLU A 50 -5.814 -2.894 -12.707 1.00 11.23 H new ATOM 760 N GLU A 51 -5.341 -3.508 -8.802 1.00 71.41 N ATOM 761 CA GLU A 51 -5.318 -4.872 -8.287 1.00 23.32 C ATOM 762 C GLU A 51 -6.619 -5.202 -7.560 1.00 31.12 C ATOM 763 O GLU A 51 -7.258 -6.217 -7.836 1.00 2.43 O ATOM 764 CB GLU A 51 -4.130 -5.064 -7.341 1.00 32.02 C ATOM 765 CG GLU A 51 -4.025 -6.469 -6.774 1.00 24.44 C ATOM 766 CD GLU A 51 -4.206 -7.540 -7.832 1.00 62.13 C ATOM 767 OE1 GLU A 51 -3.199 -7.934 -8.459 1.00 34.14 O ATOM 768 OE2 GLU A 51 -5.355 -7.986 -8.033 1.00 61.41 O ATOM 0 H GLU A 51 -4.798 -2.840 -8.254 1.00 71.41 H new ATOM 0 HA GLU A 51 -5.213 -5.550 -9.134 1.00 23.32 H new ATOM 0 HB2 GLU A 51 -3.210 -4.827 -7.874 1.00 32.02 H new ATOM 0 HB3 GLU A 51 -4.213 -4.354 -6.518 1.00 32.02 H new ATOM 0 HG2 GLU A 51 -3.052 -6.593 -6.299 1.00 24.44 H new ATOM 0 HG3 GLU A 51 -4.778 -6.600 -5.997 1.00 24.44 H new ATOM 775 N PHE A 52 -7.004 -4.336 -6.628 1.00 14.33 N ATOM 776 CA PHE A 52 -8.228 -4.534 -5.860 1.00 31.40 C ATOM 777 C PHE A 52 -9.419 -3.884 -6.557 1.00 41.21 C ATOM 778 O PHE A 52 -10.513 -3.806 -5.998 1.00 64.45 O ATOM 779 CB PHE A 52 -8.070 -3.958 -4.451 1.00 13.23 C ATOM 780 CG PHE A 52 -6.967 -4.601 -3.661 1.00 32.11 C ATOM 781 CD1 PHE A 52 -5.668 -4.125 -3.744 1.00 61.41 C ATOM 782 CD2 PHE A 52 -7.229 -5.682 -2.834 1.00 11.14 C ATOM 783 CE1 PHE A 52 -4.652 -4.717 -3.017 1.00 22.04 C ATOM 784 CE2 PHE A 52 -6.217 -6.277 -2.105 1.00 2.32 C ATOM 785 CZ PHE A 52 -4.926 -5.792 -2.196 1.00 72.43 C ATOM 0 H PHE A 52 -6.486 -3.491 -6.386 1.00 14.33 H new ATOM 0 HA PHE A 52 -8.413 -5.606 -5.788 1.00 31.40 H new ATOM 0 HB2 PHE A 52 -7.877 -2.888 -4.524 1.00 13.23 H new ATOM 0 HB3 PHE A 52 -9.009 -4.077 -3.911 1.00 13.23 H new ATOM 0 HD1 PHE A 52 -5.447 -3.283 -4.383 1.00 61.41 H new ATOM 0 HD2 PHE A 52 -8.236 -6.064 -2.758 1.00 11.14 H new ATOM 0 HE1 PHE A 52 -3.643 -4.338 -3.092 1.00 22.04 H new ATOM 0 HE2 PHE A 52 -6.435 -7.120 -1.465 1.00 2.32 H new ATOM 0 HZ PHE A 52 -4.133 -6.253 -1.626 1.00 72.43 H new ATOM 795 N GLY A 53 -9.199 -3.417 -7.782 1.00 24.02 N ATOM 796 CA GLY A 53 -10.262 -2.778 -8.535 1.00 70.03 C ATOM 797 C GLY A 53 -10.946 -1.676 -7.753 1.00 12.22 C ATOM 798 O GLY A 53 -12.148 -1.452 -7.903 1.00 23.05 O ATOM 0 H GLY A 53 -8.303 -3.470 -8.267 1.00 24.02 H new ATOM 0 HA2 GLY A 53 -9.852 -2.364 -9.456 1.00 70.03 H new ATOM 0 HA3 GLY A 53 -11.000 -3.527 -8.822 1.00 70.03 H new ATOM 802 N ILE A 54 -10.181 -0.985 -6.913 1.00 61.55 N ATOM 803 CA ILE A 54 -10.721 0.099 -6.103 1.00 55.31 C ATOM 804 C ILE A 54 -10.232 1.455 -6.603 1.00 61.11 C ATOM 805 O ILE A 54 -9.465 1.534 -7.561 1.00 61.43 O ATOM 806 CB ILE A 54 -10.334 -0.058 -4.621 1.00 53.45 C ATOM 807 CG1 ILE A 54 -8.814 -0.133 -4.473 1.00 43.35 C ATOM 808 CG2 ILE A 54 -10.991 -1.298 -4.031 1.00 14.30 C ATOM 809 CD1 ILE A 54 -8.345 -0.126 -3.035 1.00 23.00 C ATOM 0 H ILE A 54 -9.185 -1.158 -6.776 1.00 61.55 H new ATOM 0 HA ILE A 54 -11.806 0.050 -6.194 1.00 55.31 H new ATOM 0 HB ILE A 54 -10.690 0.814 -4.073 1.00 53.45 H new ATOM 0 HG12 ILE A 54 -8.454 -1.040 -4.959 1.00 43.35 H new ATOM 0 HG13 ILE A 54 -8.364 0.710 -4.997 1.00 43.35 H new ATOM 0 HG21 ILE A 54 -10.708 -1.396 -2.983 1.00 14.30 H new ATOM 0 HG22 ILE A 54 -12.074 -1.207 -4.108 1.00 14.30 H new ATOM 0 HG23 ILE A 54 -10.661 -2.180 -4.580 1.00 14.30 H new ATOM 0 HD11 ILE A 54 -7.257 -0.181 -3.007 1.00 23.00 H new ATOM 0 HD12 ILE A 54 -8.674 0.793 -2.549 1.00 23.00 H new ATOM 0 HD13 ILE A 54 -8.766 -0.984 -2.511 1.00 23.00 H new ATOM 821 N ASN A 55 -10.682 2.518 -5.946 1.00 11.42 N ATOM 822 CA ASN A 55 -10.290 3.872 -6.323 1.00 10.14 C ATOM 823 C ASN A 55 -10.057 4.735 -5.087 1.00 1.11 C ATOM 824 O ASN A 55 -10.823 4.681 -4.126 1.00 74.41 O ATOM 825 CB ASN A 55 -11.362 4.509 -7.208 1.00 54.04 C ATOM 826 CG ASN A 55 -12.593 4.919 -6.422 1.00 20.15 C ATOM 827 OD1 ASN A 55 -12.776 6.096 -6.104 1.00 65.44 O ATOM 828 ND2 ASN A 55 -13.443 3.950 -6.104 1.00 3.03 N ATOM 0 H ASN A 55 -11.318 2.469 -5.150 1.00 11.42 H new ATOM 0 HA ASN A 55 -9.357 3.810 -6.883 1.00 10.14 H new ATOM 0 HB2 ASN A 55 -10.945 5.384 -7.707 1.00 54.04 H new ATOM 0 HB3 ASN A 55 -11.651 3.805 -7.988 1.00 54.04 H new ATOM 0 HD21 ASN A 55 -14.288 4.166 -5.575 1.00 3.03 H new ATOM 0 HD22 ASN A 55 -13.251 2.989 -6.388 1.00 3.03 H new ATOM 835 N VAL A 56 -8.993 5.532 -5.120 1.00 70.42 N ATOM 836 CA VAL A 56 -8.659 6.408 -4.003 1.00 55.02 C ATOM 837 C VAL A 56 -8.030 7.708 -4.493 1.00 75.35 C ATOM 838 O VAL A 56 -7.341 7.729 -5.512 1.00 41.43 O ATOM 839 CB VAL A 56 -7.692 5.721 -3.020 1.00 22.00 C ATOM 840 CG1 VAL A 56 -7.458 6.599 -1.801 1.00 62.21 C ATOM 841 CG2 VAL A 56 -8.228 4.357 -2.611 1.00 11.20 C ATOM 0 H VAL A 56 -8.348 5.589 -5.908 1.00 70.42 H new ATOM 0 HA VAL A 56 -9.592 6.631 -3.486 1.00 55.02 H new ATOM 0 HB VAL A 56 -6.735 5.574 -3.521 1.00 22.00 H new ATOM 0 HG11 VAL A 56 -6.773 6.098 -1.118 1.00 62.21 H new ATOM 0 HG12 VAL A 56 -7.027 7.550 -2.115 1.00 62.21 H new ATOM 0 HG13 VAL A 56 -8.407 6.780 -1.295 1.00 62.21 H new ATOM 0 HG21 VAL A 56 -7.532 3.886 -1.917 1.00 11.20 H new ATOM 0 HG22 VAL A 56 -9.198 4.477 -2.128 1.00 11.20 H new ATOM 0 HG23 VAL A 56 -8.339 3.729 -3.495 1.00 11.20 H new ATOM 851 N ASP A 57 -8.274 8.789 -3.761 1.00 74.14 N ATOM 852 CA ASP A 57 -7.731 10.093 -4.119 1.00 41.41 C ATOM 853 C ASP A 57 -6.373 10.316 -3.462 1.00 34.14 C ATOM 854 O ASP A 57 -6.085 9.754 -2.405 1.00 63.12 O ATOM 855 CB ASP A 57 -8.699 11.203 -3.709 1.00 10.13 C ATOM 856 CG ASP A 57 -9.956 11.219 -4.555 1.00 64.04 C ATOM 857 OD1 ASP A 57 -10.535 10.134 -4.779 1.00 21.31 O ATOM 858 OD2 ASP A 57 -10.362 12.314 -4.996 1.00 23.12 O ATOM 0 H ASP A 57 -8.845 8.788 -2.916 1.00 74.14 H new ATOM 0 HA ASP A 57 -7.599 10.119 -5.201 1.00 41.41 H new ATOM 0 HB2 ASP A 57 -8.972 11.074 -2.662 1.00 10.13 H new ATOM 0 HB3 ASP A 57 -8.197 12.167 -3.792 1.00 10.13 H new ATOM 863 N GLU A 58 -5.543 11.139 -4.093 1.00 3.43 N ATOM 864 CA GLU A 58 -4.214 11.434 -3.568 1.00 3.55 C ATOM 865 C GLU A 58 -4.306 12.124 -2.210 1.00 22.13 C ATOM 866 O GLU A 58 -3.625 11.739 -1.259 1.00 45.32 O ATOM 867 CB GLU A 58 -3.438 12.317 -4.549 1.00 34.21 C ATOM 868 CG GLU A 58 -2.800 11.544 -5.690 1.00 64.41 C ATOM 869 CD GLU A 58 -2.383 12.438 -6.840 1.00 44.21 C ATOM 870 OE1 GLU A 58 -1.799 13.510 -6.578 1.00 13.55 O ATOM 871 OE2 GLU A 58 -2.642 12.066 -8.005 1.00 30.05 O ATOM 0 H GLU A 58 -5.766 11.614 -4.968 1.00 3.43 H new ATOM 0 HA GLU A 58 -3.684 10.490 -3.442 1.00 3.55 H new ATOM 0 HB2 GLU A 58 -4.113 13.067 -4.962 1.00 34.21 H new ATOM 0 HB3 GLU A 58 -2.660 12.853 -4.005 1.00 34.21 H new ATOM 0 HG2 GLU A 58 -1.927 11.008 -5.317 1.00 64.41 H new ATOM 0 HG3 GLU A 58 -3.503 10.795 -6.054 1.00 64.41 H new ATOM 878 N ASP A 59 -5.153 13.145 -2.128 1.00 22.32 N ATOM 879 CA ASP A 59 -5.334 13.888 -0.886 1.00 54.40 C ATOM 880 C ASP A 59 -5.723 12.953 0.255 1.00 24.40 C ATOM 881 O ASP A 59 -5.469 13.244 1.424 1.00 34.14 O ATOM 882 CB ASP A 59 -6.405 14.966 -1.065 1.00 0.22 C ATOM 883 CG ASP A 59 -6.335 16.035 0.008 1.00 70.24 C ATOM 884 OD1 ASP A 59 -5.338 16.057 0.760 1.00 60.13 O ATOM 885 OD2 ASP A 59 -7.278 16.849 0.096 1.00 21.42 O ATOM 0 H ASP A 59 -5.724 13.476 -2.906 1.00 22.32 H new ATOM 0 HA ASP A 59 -4.386 14.364 -0.634 1.00 54.40 H new ATOM 0 HB2 ASP A 59 -6.289 15.430 -2.044 1.00 0.22 H new ATOM 0 HB3 ASP A 59 -7.391 14.501 -1.047 1.00 0.22 H new ATOM 890 N LYS A 60 -6.339 11.829 -0.092 1.00 61.45 N ATOM 891 CA LYS A 60 -6.762 10.849 0.903 1.00 4.21 C ATOM 892 C LYS A 60 -5.607 9.929 1.285 1.00 61.40 C ATOM 893 O LYS A 60 -5.586 9.368 2.381 1.00 3.13 O ATOM 894 CB LYS A 60 -7.932 10.021 0.368 1.00 41.32 C ATOM 895 CG LYS A 60 -9.152 10.852 0.010 1.00 11.24 C ATOM 896 CD LYS A 60 -10.032 11.102 1.225 1.00 4.44 C ATOM 897 CE LYS A 60 -10.813 12.401 1.090 1.00 63.32 C ATOM 898 NZ LYS A 60 -9.918 13.590 1.110 1.00 20.12 N ATOM 0 H LYS A 60 -6.557 11.573 -1.055 1.00 61.45 H new ATOM 0 HA LYS A 60 -7.084 11.388 1.794 1.00 4.21 H new ATOM 0 HB2 LYS A 60 -7.604 9.473 -0.515 1.00 41.32 H new ATOM 0 HB3 LYS A 60 -8.214 9.280 1.116 1.00 41.32 H new ATOM 0 HG2 LYS A 60 -8.833 11.805 -0.412 1.00 11.24 H new ATOM 0 HG3 LYS A 60 -9.729 10.340 -0.760 1.00 11.24 H new ATOM 0 HD2 LYS A 60 -10.726 10.271 1.350 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -9.414 11.139 2.122 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -11.380 12.389 0.159 1.00 63.32 H new ATOM 0 HE3 LYS A 60 -11.536 12.477 1.903 1.00 63.32 H new ATOM 0 HZ1 LYS A 60 -10.451 14.421 1.437 1.00 20.12 H new ATOM 0 HZ2 LYS A 60 -9.121 13.414 1.755 1.00 20.12 H new ATOM 0 HZ3 LYS A 60 -9.555 13.767 0.152 1.00 20.12 H new ATOM 912 N ALA A 61 -4.650 9.779 0.377 1.00 25.23 N ATOM 913 CA ALA A 61 -3.490 8.929 0.621 1.00 15.34 C ATOM 914 C ALA A 61 -2.311 9.746 1.138 1.00 45.12 C ATOM 915 O ALA A 61 -1.154 9.407 0.888 1.00 15.15 O ATOM 916 CB ALA A 61 -3.104 8.185 -0.648 1.00 54.14 C ATOM 0 H ALA A 61 -4.654 10.235 -0.535 1.00 25.23 H new ATOM 0 HA ALA A 61 -3.758 8.201 1.387 1.00 15.34 H new ATOM 0 HB1 ALA A 61 -2.237 7.555 -0.451 1.00 54.14 H new ATOM 0 HB2 ALA A 61 -3.938 7.563 -0.973 1.00 54.14 H new ATOM 0 HB3 ALA A 61 -2.860 8.903 -1.431 1.00 54.14 H new ATOM 922 N GLN A 62 -2.611 10.822 1.857 1.00 61.23 N ATOM 923 CA GLN A 62 -1.574 11.687 2.407 1.00 74.30 C ATOM 924 C GLN A 62 -1.003 11.101 3.694 1.00 44.20 C ATOM 925 O GLN A 62 0.207 10.900 3.813 1.00 53.40 O ATOM 926 CB GLN A 62 -2.135 13.084 2.674 1.00 2.43 C ATOM 927 CG GLN A 62 -2.404 13.884 1.410 1.00 54.25 C ATOM 928 CD GLN A 62 -1.145 14.486 0.819 1.00 24.53 C ATOM 929 OE1 GLN A 62 -0.539 15.384 1.405 1.00 41.22 O ATOM 930 NE2 GLN A 62 -0.742 13.992 -0.346 1.00 11.34 N ATOM 0 H GLN A 62 -3.564 11.116 2.073 1.00 61.23 H new ATOM 0 HA GLN A 62 -0.770 11.760 1.674 1.00 74.30 H new ATOM 0 HB2 GLN A 62 -3.062 12.992 3.240 1.00 2.43 H new ATOM 0 HB3 GLN A 62 -1.433 13.635 3.300 1.00 2.43 H new ATOM 0 HG2 GLN A 62 -2.875 13.238 0.669 1.00 54.25 H new ATOM 0 HG3 GLN A 62 -3.113 14.681 1.634 1.00 54.25 H new ATOM 0 HE21 GLN A 62 -1.275 13.248 -0.796 1.00 11.34 H new ATOM 0 HE22 GLN A 62 0.101 14.357 -0.791 1.00 11.34 H new ATOM 939 N ASP A 63 -1.879 10.829 4.654 1.00 23.45 N ATOM 940 CA ASP A 63 -1.461 10.265 5.933 1.00 31.23 C ATOM 941 C ASP A 63 -0.705 8.956 5.728 1.00 75.54 C ATOM 942 O ASP A 63 0.104 8.557 6.566 1.00 33.13 O ATOM 943 CB ASP A 63 -2.675 10.033 6.833 1.00 14.34 C ATOM 944 CG ASP A 63 -3.372 11.326 7.210 1.00 25.32 C ATOM 945 OD1 ASP A 63 -2.675 12.349 7.380 1.00 64.14 O ATOM 946 OD2 ASP A 63 -4.614 11.316 7.335 1.00 72.33 O ATOM 0 H ASP A 63 -2.883 10.990 4.572 1.00 23.45 H new ATOM 0 HA ASP A 63 -0.792 10.978 6.416 1.00 31.23 H new ATOM 0 HB2 ASP A 63 -3.382 9.378 6.323 1.00 14.34 H new ATOM 0 HB3 ASP A 63 -2.358 9.517 7.739 1.00 14.34 H new ATOM 951 N ILE A 64 -0.978 8.290 4.612 1.00 43.33 N ATOM 952 CA ILE A 64 -0.324 7.026 4.297 1.00 33.21 C ATOM 953 C ILE A 64 1.192 7.148 4.408 1.00 3.10 C ATOM 954 O ILE A 64 1.826 7.860 3.628 1.00 61.23 O ATOM 955 CB ILE A 64 -0.687 6.541 2.882 1.00 64.12 C ATOM 956 CG1 ILE A 64 -2.206 6.443 2.726 1.00 22.41 C ATOM 957 CG2 ILE A 64 -0.032 5.197 2.598 1.00 71.44 C ATOM 958 CD1 ILE A 64 -2.856 5.505 3.720 1.00 42.11 C ATOM 0 H ILE A 64 -1.648 8.605 3.910 1.00 43.33 H new ATOM 0 HA ILE A 64 -0.681 6.297 5.024 1.00 33.21 H new ATOM 0 HB ILE A 64 -0.313 7.266 2.159 1.00 64.12 H new ATOM 0 HG12 ILE A 64 -2.640 7.437 2.839 1.00 22.41 H new ATOM 0 HG13 ILE A 64 -2.439 6.107 1.716 1.00 22.41 H new ATOM 0 HG21 ILE A 64 -0.298 4.867 1.594 1.00 71.44 H new ATOM 0 HG22 ILE A 64 1.051 5.297 2.672 1.00 71.44 H new ATOM 0 HG23 ILE A 64 -0.379 4.462 3.325 1.00 71.44 H new ATOM 0 HD11 ILE A 64 -3.933 5.485 3.551 1.00 42.11 H new ATOM 0 HD12 ILE A 64 -2.450 4.502 3.593 1.00 42.11 H new ATOM 0 HD13 ILE A 64 -2.654 5.852 4.733 1.00 42.11 H new ATOM 970 N SER A 65 1.767 6.448 5.379 1.00 21.34 N ATOM 971 CA SER A 65 3.210 6.480 5.593 1.00 74.41 C ATOM 972 C SER A 65 3.794 5.071 5.564 1.00 25.12 C ATOM 973 O SER A 65 4.848 4.835 4.973 1.00 63.32 O ATOM 974 CB SER A 65 3.534 7.150 6.930 1.00 54.31 C ATOM 975 OG SER A 65 4.932 7.314 7.093 1.00 53.54 O ATOM 0 H SER A 65 1.257 5.852 6.031 1.00 21.34 H new ATOM 0 HA SER A 65 3.659 7.059 4.786 1.00 74.41 H new ATOM 0 HB2 SER A 65 3.042 8.121 6.982 1.00 54.31 H new ATOM 0 HB3 SER A 65 3.138 6.548 7.748 1.00 54.31 H new ATOM 0 HG SER A 65 5.113 7.745 7.954 1.00 53.54 H new ATOM 981 N THR A 66 3.102 4.136 6.207 1.00 73.03 N ATOM 982 CA THR A 66 3.551 2.750 6.256 1.00 13.31 C ATOM 983 C THR A 66 2.597 1.836 5.495 1.00 44.10 C ATOM 984 O THR A 66 1.512 2.253 5.092 1.00 41.33 O ATOM 985 CB THR A 66 3.673 2.250 7.708 1.00 23.14 C ATOM 986 OG1 THR A 66 2.372 2.037 8.265 1.00 53.43 O ATOM 987 CG2 THR A 66 4.438 3.251 8.562 1.00 75.13 C ATOM 0 H THR A 66 2.228 4.314 6.701 1.00 73.03 H new ATOM 0 HA THR A 66 4.533 2.719 5.785 1.00 13.31 H new ATOM 0 HB THR A 66 4.222 1.308 7.699 1.00 23.14 H new ATOM 0 HG1 THR A 66 2.459 1.718 9.187 1.00 53.43 H new ATOM 0 HG21 THR A 66 4.512 2.877 9.583 1.00 75.13 H new ATOM 0 HG22 THR A 66 5.439 3.388 8.153 1.00 75.13 H new ATOM 0 HG23 THR A 66 3.912 4.206 8.563 1.00 75.13 H new ATOM 995 N ILE A 67 3.010 0.588 5.302 1.00 25.33 N ATOM 996 CA ILE A 67 2.192 -0.386 4.590 1.00 33.11 C ATOM 997 C ILE A 67 0.799 -0.486 5.204 1.00 21.23 C ATOM 998 O ILE A 67 -0.206 -0.451 4.495 1.00 60.33 O ATOM 999 CB ILE A 67 2.844 -1.781 4.595 1.00 62.34 C ATOM 1000 CG1 ILE A 67 4.253 -1.711 4.002 1.00 61.23 C ATOM 1001 CG2 ILE A 67 1.985 -2.770 3.821 1.00 23.30 C ATOM 1002 CD1 ILE A 67 4.275 -1.306 2.544 1.00 34.31 C ATOM 0 H ILE A 67 3.906 0.227 5.629 1.00 25.33 H new ATOM 0 HA ILE A 67 2.110 -0.037 3.561 1.00 33.11 H new ATOM 0 HB ILE A 67 2.921 -2.127 5.626 1.00 62.34 H new ATOM 0 HG12 ILE A 67 4.846 -1.000 4.577 1.00 61.23 H new ATOM 0 HG13 ILE A 67 4.732 -2.684 4.108 1.00 61.23 H new ATOM 0 HG21 ILE A 67 2.459 -3.751 3.834 1.00 23.30 H new ATOM 0 HG22 ILE A 67 1.000 -2.837 4.284 1.00 23.30 H new ATOM 0 HG23 ILE A 67 1.879 -2.431 2.790 1.00 23.30 H new ATOM 0 HD11 ILE A 67 5.305 -1.277 2.190 1.00 34.31 H new ATOM 0 HD12 ILE A 67 3.710 -2.030 1.957 1.00 34.31 H new ATOM 0 HD13 ILE A 67 3.826 -0.319 2.434 1.00 34.31 H new ATOM 1014 N GLN A 68 0.748 -0.608 6.527 1.00 63.52 N ATOM 1015 CA GLN A 68 -0.522 -0.713 7.236 1.00 4.42 C ATOM 1016 C GLN A 68 -1.439 0.453 6.882 1.00 12.00 C ATOM 1017 O GLN A 68 -2.623 0.260 6.605 1.00 21.10 O ATOM 1018 CB GLN A 68 -0.284 -0.751 8.746 1.00 12.35 C ATOM 1019 CG GLN A 68 -0.225 -2.158 9.318 1.00 25.14 C ATOM 1020 CD GLN A 68 -1.580 -2.657 9.780 1.00 64.51 C ATOM 1021 OE1 GLN A 68 -1.838 -2.768 10.978 1.00 23.34 O ATOM 1022 NE2 GLN A 68 -2.454 -2.964 8.828 1.00 25.01 N ATOM 0 H GLN A 68 1.571 -0.637 7.129 1.00 63.52 H new ATOM 0 HA GLN A 68 -1.007 -1.639 6.929 1.00 4.42 H new ATOM 0 HB2 GLN A 68 0.650 -0.237 8.971 1.00 12.35 H new ATOM 0 HB3 GLN A 68 -1.080 -0.198 9.245 1.00 12.35 H new ATOM 0 HG2 GLN A 68 0.170 -2.837 8.562 1.00 25.14 H new ATOM 0 HG3 GLN A 68 0.470 -2.176 10.157 1.00 25.14 H new ATOM 0 HE21 GLN A 68 -2.198 -2.857 7.847 1.00 25.01 H new ATOM 0 HE22 GLN A 68 -3.381 -3.307 9.078 1.00 25.01 H new ATOM 1031 N GLN A 69 -0.884 1.661 6.894 1.00 53.43 N ATOM 1032 CA GLN A 69 -1.655 2.857 6.575 1.00 42.44 C ATOM 1033 C GLN A 69 -2.354 2.712 5.226 1.00 22.50 C ATOM 1034 O GLN A 69 -3.534 3.030 5.091 1.00 35.21 O ATOM 1035 CB GLN A 69 -0.745 4.087 6.560 1.00 73.41 C ATOM 1036 CG GLN A 69 0.003 4.305 7.866 1.00 35.14 C ATOM 1037 CD GLN A 69 -0.917 4.692 9.007 1.00 12.22 C ATOM 1038 OE1 GLN A 69 -1.835 5.494 8.835 1.00 1.43 O ATOM 1039 NE2 GLN A 69 -0.675 4.124 10.183 1.00 44.43 N ATOM 0 H GLN A 69 0.095 1.837 7.121 1.00 53.43 H new ATOM 0 HA GLN A 69 -2.415 2.984 7.346 1.00 42.44 H new ATOM 0 HB2 GLN A 69 -0.023 3.985 5.750 1.00 73.41 H new ATOM 0 HB3 GLN A 69 -1.345 4.970 6.343 1.00 73.41 H new ATOM 0 HG2 GLN A 69 0.539 3.393 8.130 1.00 35.14 H new ATOM 0 HG3 GLN A 69 0.751 5.086 7.726 1.00 35.14 H new ATOM 0 HE21 GLN A 69 0.097 3.464 10.282 1.00 44.43 H new ATOM 0 HE22 GLN A 69 -1.261 4.347 10.987 1.00 44.43 H new ATOM 1048 N ALA A 70 -1.616 2.230 4.232 1.00 62.44 N ATOM 1049 CA ALA A 70 -2.165 2.041 2.896 1.00 65.03 C ATOM 1050 C ALA A 70 -3.118 0.850 2.856 1.00 20.45 C ATOM 1051 O ALA A 70 -4.039 0.807 2.043 1.00 55.54 O ATOM 1052 CB ALA A 70 -1.043 1.853 1.885 1.00 13.25 C ATOM 0 H ALA A 70 -0.636 1.963 4.327 1.00 62.44 H new ATOM 0 HA ALA A 70 -2.730 2.935 2.634 1.00 65.03 H new ATOM 0 HB1 ALA A 70 -1.468 1.713 0.891 1.00 13.25 H new ATOM 0 HB2 ALA A 70 -0.402 2.735 1.884 1.00 13.25 H new ATOM 0 HB3 ALA A 70 -0.454 0.976 2.154 1.00 13.25 H new ATOM 1058 N ALA A 71 -2.887 -0.115 3.741 1.00 34.04 N ATOM 1059 CA ALA A 71 -3.727 -1.305 3.809 1.00 45.32 C ATOM 1060 C ALA A 71 -5.081 -0.987 4.431 1.00 52.11 C ATOM 1061 O ALA A 71 -6.089 -1.616 4.104 1.00 3.20 O ATOM 1062 CB ALA A 71 -3.025 -2.401 4.597 1.00 42.11 C ATOM 0 H ALA A 71 -2.126 -0.096 4.420 1.00 34.04 H new ATOM 0 HA ALA A 71 -3.899 -1.657 2.792 1.00 45.32 H new ATOM 0 HB1 ALA A 71 -3.663 -3.284 4.640 1.00 42.11 H new ATOM 0 HB2 ALA A 71 -2.085 -2.656 4.107 1.00 42.11 H new ATOM 0 HB3 ALA A 71 -2.823 -2.049 5.609 1.00 42.11 H new ATOM 1068 N ASP A 72 -5.100 -0.009 5.329 1.00 43.31 N ATOM 1069 CA ASP A 72 -6.333 0.392 5.997 1.00 3.14 C ATOM 1070 C ASP A 72 -7.269 1.106 5.027 1.00 32.42 C ATOM 1071 O ASP A 72 -8.456 0.790 4.948 1.00 71.42 O ATOM 1072 CB ASP A 72 -6.020 1.302 7.186 1.00 11.33 C ATOM 1073 CG ASP A 72 -7.234 2.081 7.655 1.00 62.33 C ATOM 1074 OD1 ASP A 72 -7.518 3.146 7.069 1.00 72.45 O ATOM 1075 OD2 ASP A 72 -7.899 1.624 8.607 1.00 74.33 O ATOM 0 H ASP A 72 -4.276 0.521 5.612 1.00 43.31 H new ATOM 0 HA ASP A 72 -6.831 -0.508 6.358 1.00 3.14 H new ATOM 0 HB2 ASP A 72 -5.638 0.700 8.010 1.00 11.33 H new ATOM 0 HB3 ASP A 72 -5.230 1.999 6.908 1.00 11.33 H new ATOM 1080 N VAL A 73 -6.728 2.071 4.292 1.00 3.24 N ATOM 1081 CA VAL A 73 -7.514 2.830 3.327 1.00 11.35 C ATOM 1082 C VAL A 73 -8.189 1.906 2.320 1.00 62.14 C ATOM 1083 O VAL A 73 -9.368 2.070 2.004 1.00 12.24 O ATOM 1084 CB VAL A 73 -6.642 3.848 2.568 1.00 20.21 C ATOM 1085 CG1 VAL A 73 -7.474 4.607 1.546 1.00 54.11 C ATOM 1086 CG2 VAL A 73 -5.975 4.807 3.542 1.00 41.41 C ATOM 0 H VAL A 73 -5.747 2.346 4.346 1.00 3.24 H new ATOM 0 HA VAL A 73 -8.276 3.366 3.892 1.00 11.35 H new ATOM 0 HB VAL A 73 -5.861 3.306 2.034 1.00 20.21 H new ATOM 0 HG11 VAL A 73 -6.841 5.321 1.020 1.00 54.11 H new ATOM 0 HG12 VAL A 73 -7.901 3.904 0.830 1.00 54.11 H new ATOM 0 HG13 VAL A 73 -8.277 5.140 2.054 1.00 54.11 H new ATOM 0 HG21 VAL A 73 -5.363 5.520 2.989 1.00 41.41 H new ATOM 0 HG22 VAL A 73 -6.739 5.344 4.104 1.00 41.41 H new ATOM 0 HG23 VAL A 73 -5.345 4.245 4.232 1.00 41.41 H new ATOM 1096 N ILE A 74 -7.434 0.933 1.820 1.00 51.32 N ATOM 1097 CA ILE A 74 -7.961 -0.019 0.849 1.00 1.51 C ATOM 1098 C ILE A 74 -9.131 -0.805 1.429 1.00 11.42 C ATOM 1099 O ILE A 74 -10.213 -0.849 0.843 1.00 0.12 O ATOM 1100 CB ILE A 74 -6.874 -1.006 0.383 1.00 63.24 C ATOM 1101 CG1 ILE A 74 -5.704 -0.250 -0.251 1.00 72.41 C ATOM 1102 CG2 ILE A 74 -7.458 -2.011 -0.599 1.00 40.32 C ATOM 1103 CD1 ILE A 74 -4.412 -1.036 -0.261 1.00 14.41 C ATOM 0 H ILE A 74 -6.457 0.783 2.071 1.00 51.32 H new ATOM 0 HA ILE A 74 -8.306 0.561 -0.007 1.00 1.51 H new ATOM 0 HB ILE A 74 -6.501 -1.550 1.251 1.00 63.24 H new ATOM 0 HG12 ILE A 74 -5.966 0.016 -1.275 1.00 72.41 H new ATOM 0 HG13 ILE A 74 -5.548 0.683 0.291 1.00 72.41 H new ATOM 0 HG21 ILE A 74 -6.678 -2.702 -0.920 1.00 40.32 H new ATOM 0 HG22 ILE A 74 -8.260 -2.568 -0.115 1.00 40.32 H new ATOM 0 HG23 ILE A 74 -7.855 -1.484 -1.467 1.00 40.32 H new ATOM 0 HD11 ILE A 74 -3.627 -0.439 -0.725 1.00 14.41 H new ATOM 0 HD12 ILE A 74 -4.126 -1.280 0.762 1.00 14.41 H new ATOM 0 HD13 ILE A 74 -4.551 -1.957 -0.828 1.00 14.41 H new ATOM 1115 N GLU A 75 -8.907 -1.422 2.585 1.00 74.24 N ATOM 1116 CA GLU A 75 -9.945 -2.206 3.245 1.00 70.04 C ATOM 1117 C GLU A 75 -11.228 -1.393 3.396 1.00 50.25 C ATOM 1118 O GLU A 75 -12.330 -1.932 3.316 1.00 74.31 O ATOM 1119 CB GLU A 75 -9.464 -2.678 4.617 1.00 25.40 C ATOM 1120 CG GLU A 75 -8.356 -3.717 4.550 1.00 62.55 C ATOM 1121 CD GLU A 75 -8.888 -5.137 4.544 1.00 31.11 C ATOM 1122 OE1 GLU A 75 -9.418 -5.576 5.587 1.00 51.52 O ATOM 1123 OE2 GLU A 75 -8.774 -5.811 3.499 1.00 55.53 O ATOM 0 H GLU A 75 -8.017 -1.394 3.083 1.00 74.24 H new ATOM 0 HA GLU A 75 -10.157 -3.076 2.623 1.00 70.04 H new ATOM 0 HB2 GLU A 75 -9.110 -1.817 5.184 1.00 25.40 H new ATOM 0 HB3 GLU A 75 -10.309 -3.095 5.165 1.00 25.40 H new ATOM 0 HG2 GLU A 75 -7.762 -3.552 3.651 1.00 62.55 H new ATOM 0 HG3 GLU A 75 -7.689 -3.587 5.402 1.00 62.55 H new ATOM 1130 N GLY A 76 -11.074 -0.091 3.614 1.00 32.01 N ATOM 1131 CA GLY A 76 -12.226 0.776 3.774 1.00 55.34 C ATOM 1132 C GLY A 76 -13.169 0.713 2.588 1.00 43.13 C ATOM 1133 O GLY A 76 -14.389 0.762 2.751 1.00 5.44 O ATOM 0 H GLY A 76 -10.171 0.379 3.683 1.00 32.01 H new ATOM 0 HA2 GLY A 76 -12.766 0.495 4.678 1.00 55.34 H new ATOM 0 HA3 GLY A 76 -11.888 1.803 3.911 1.00 55.34 H new ATOM 1137 N LEU A 77 -12.603 0.603 1.391 1.00 12.14 N ATOM 1138 CA LEU A 77 -13.401 0.535 0.172 1.00 42.12 C ATOM 1139 C LEU A 77 -13.955 -0.871 -0.038 1.00 1.24 C ATOM 1140 O LEU A 77 -15.046 -1.045 -0.583 1.00 51.34 O ATOM 1141 CB LEU A 77 -12.559 0.949 -1.037 1.00 35.52 C ATOM 1142 CG LEU A 77 -11.773 2.252 -0.891 1.00 0.43 C ATOM 1143 CD1 LEU A 77 -10.579 2.263 -1.834 1.00 14.13 C ATOM 1144 CD2 LEU A 77 -12.673 3.450 -1.155 1.00 51.41 C ATOM 0 H LEU A 77 -11.595 0.559 1.239 1.00 12.14 H new ATOM 0 HA LEU A 77 -14.239 1.225 0.277 1.00 42.12 H new ATOM 0 HB2 LEU A 77 -11.855 0.146 -1.257 1.00 35.52 H new ATOM 0 HB3 LEU A 77 -13.218 1.040 -1.900 1.00 35.52 H new ATOM 0 HG LEU A 77 -11.403 2.318 0.132 1.00 0.43 H new ATOM 0 HD11 LEU A 77 -10.031 3.198 -1.716 1.00 14.13 H new ATOM 0 HD12 LEU A 77 -9.922 1.425 -1.599 1.00 14.13 H new ATOM 0 HD13 LEU A 77 -10.927 2.173 -2.863 1.00 14.13 H new ATOM 0 HD21 LEU A 77 -12.097 4.369 -1.047 1.00 51.41 H new ATOM 0 HD22 LEU A 77 -13.072 3.389 -2.168 1.00 51.41 H new ATOM 0 HD23 LEU A 77 -13.496 3.451 -0.440 1.00 51.41 H new ATOM 1156 N LEU A 78 -13.198 -1.871 0.400 1.00 22.13 N ATOM 1157 CA LEU A 78 -13.614 -3.262 0.263 1.00 41.04 C ATOM 1158 C LEU A 78 -14.819 -3.561 1.149 1.00 11.01 C ATOM 1159 O LEU A 78 -15.669 -4.380 0.802 1.00 10.32 O ATOM 1160 CB LEU A 78 -12.459 -4.199 0.621 1.00 1.34 C ATOM 1161 CG LEU A 78 -11.452 -4.481 -0.495 1.00 31.20 C ATOM 1162 CD1 LEU A 78 -10.407 -3.379 -0.562 1.00 2.51 C ATOM 1163 CD2 LEU A 78 -10.789 -5.835 -0.285 1.00 55.33 C ATOM 0 H LEU A 78 -12.293 -1.744 0.853 1.00 22.13 H new ATOM 0 HA LEU A 78 -13.900 -3.428 -0.776 1.00 41.04 H new ATOM 0 HB2 LEU A 78 -11.922 -3.773 1.469 1.00 1.34 H new ATOM 0 HB3 LEU A 78 -12.878 -5.149 0.953 1.00 1.34 H new ATOM 0 HG LEU A 78 -11.987 -4.504 -1.444 1.00 31.20 H new ATOM 0 HD11 LEU A 78 -9.699 -3.597 -1.362 1.00 2.51 H new ATOM 0 HD12 LEU A 78 -10.896 -2.425 -0.760 1.00 2.51 H new ATOM 0 HD13 LEU A 78 -9.875 -3.324 0.388 1.00 2.51 H new ATOM 0 HD21 LEU A 78 -10.076 -6.019 -1.088 1.00 55.33 H new ATOM 0 HD22 LEU A 78 -10.267 -5.840 0.672 1.00 55.33 H new ATOM 0 HD23 LEU A 78 -11.549 -6.617 -0.288 1.00 55.33 H new ATOM 1175 N GLU A 79 -14.886 -2.889 2.294 1.00 12.42 N ATOM 1176 CA GLU A 79 -15.989 -3.080 3.228 1.00 24.52 C ATOM 1177 C GLU A 79 -17.216 -2.285 2.794 1.00 64.15 C ATOM 1178 O GLU A 79 -18.350 -2.661 3.089 1.00 53.34 O ATOM 1179 CB GLU A 79 -15.569 -2.662 4.639 1.00 71.31 C ATOM 1180 CG GLU A 79 -14.664 -3.669 5.329 1.00 52.32 C ATOM 1181 CD GLU A 79 -15.438 -4.797 5.983 1.00 44.43 C ATOM 1182 OE1 GLU A 79 -16.676 -4.838 5.825 1.00 0.00 O ATOM 1183 OE2 GLU A 79 -14.804 -5.641 6.652 1.00 10.12 O ATOM 0 H GLU A 79 -14.190 -2.208 2.597 1.00 12.42 H new ATOM 0 HA GLU A 79 -16.248 -4.139 3.232 1.00 24.52 H new ATOM 0 HB2 GLU A 79 -15.056 -1.702 4.587 1.00 71.31 H new ATOM 0 HB3 GLU A 79 -16.462 -2.514 5.246 1.00 71.31 H new ATOM 0 HG2 GLU A 79 -13.968 -4.085 4.601 1.00 52.32 H new ATOM 0 HG3 GLU A 79 -14.067 -3.158 6.084 1.00 52.32 H new ATOM 1190 N LYS A 80 -16.980 -1.183 2.090 1.00 33.21 N ATOM 1191 CA LYS A 80 -18.065 -0.333 1.613 1.00 0.31 C ATOM 1192 C LYS A 80 -18.803 -0.992 0.453 1.00 62.23 C ATOM 1193 O LYS A 80 -20.022 -0.872 0.331 1.00 45.21 O ATOM 1194 CB LYS A 80 -17.519 1.028 1.175 1.00 32.55 C ATOM 1195 CG LYS A 80 -18.568 2.128 1.157 1.00 65.35 C ATOM 1196 CD LYS A 80 -18.004 3.426 0.605 1.00 14.41 C ATOM 1197 CE LYS A 80 -19.111 4.405 0.244 1.00 73.43 C ATOM 1198 NZ LYS A 80 -19.874 4.846 1.444 1.00 15.14 N ATOM 0 H LYS A 80 -16.047 -0.857 1.837 1.00 33.21 H new ATOM 0 HA LYS A 80 -18.768 -0.190 2.434 1.00 0.31 H new ATOM 0 HB2 LYS A 80 -16.711 1.319 1.846 1.00 32.55 H new ATOM 0 HB3 LYS A 80 -17.087 0.933 0.179 1.00 32.55 H new ATOM 0 HG2 LYS A 80 -19.417 1.812 0.551 1.00 65.35 H new ATOM 0 HG3 LYS A 80 -18.941 2.293 2.168 1.00 65.35 H new ATOM 0 HD2 LYS A 80 -17.342 3.879 1.343 1.00 14.41 H new ATOM 0 HD3 LYS A 80 -17.401 3.216 -0.278 1.00 14.41 H new ATOM 0 HE2 LYS A 80 -18.679 5.275 -0.252 1.00 73.43 H new ATOM 0 HE3 LYS A 80 -19.792 3.937 -0.468 1.00 73.43 H new ATOM 0 HZ1 LYS A 80 -20.619 5.512 1.156 1.00 15.14 H new ATOM 0 HZ2 LYS A 80 -20.307 4.019 1.903 1.00 15.14 H new ATOM 0 HZ3 LYS A 80 -19.230 5.315 2.112 1.00 15.14 H new ATOM 1212 N LYS A 81 -18.057 -1.691 -0.396 1.00 2.02 N ATOM 1213 CA LYS A 81 -18.639 -2.373 -1.545 1.00 55.51 C ATOM 1214 C LYS A 81 -19.226 -3.720 -1.138 1.00 73.33 C ATOM 1215 O LYS A 81 -20.244 -4.153 -1.678 1.00 62.42 O ATOM 1216 CB LYS A 81 -17.585 -2.573 -2.635 1.00 3.31 C ATOM 1217 CG LYS A 81 -16.417 -3.441 -2.199 1.00 4.44 C ATOM 1218 CD LYS A 81 -15.336 -3.499 -3.266 1.00 14.51 C ATOM 1219 CE LYS A 81 -14.538 -4.790 -3.182 1.00 62.12 C ATOM 1220 NZ LYS A 81 -13.470 -4.850 -4.217 1.00 64.32 N ATOM 0 H LYS A 81 -17.047 -1.800 -0.309 1.00 2.02 H new ATOM 0 HA LYS A 81 -19.443 -1.749 -1.936 1.00 55.51 H new ATOM 0 HB2 LYS A 81 -18.057 -3.025 -3.507 1.00 3.31 H new ATOM 0 HB3 LYS A 81 -17.207 -1.599 -2.946 1.00 3.31 H new ATOM 0 HG2 LYS A 81 -15.996 -3.048 -1.274 1.00 4.44 H new ATOM 0 HG3 LYS A 81 -16.772 -4.449 -1.984 1.00 4.44 H new ATOM 0 HD2 LYS A 81 -15.792 -3.416 -4.252 1.00 14.51 H new ATOM 0 HD3 LYS A 81 -14.665 -2.647 -3.152 1.00 14.51 H new ATOM 0 HE2 LYS A 81 -14.090 -4.876 -2.192 1.00 62.12 H new ATOM 0 HE3 LYS A 81 -15.209 -5.640 -3.303 1.00 62.12 H new ATOM 0 HZ1 LYS A 81 -12.949 -5.745 -4.126 1.00 64.32 H new ATOM 0 HZ2 LYS A 81 -13.899 -4.794 -5.163 1.00 64.32 H new ATOM 0 HZ3 LYS A 81 -12.815 -4.053 -4.086 1.00 64.32 H new ATOM 1234 N ALA A 82 -18.580 -4.378 -0.181 1.00 5.32 N ATOM 1235 CA ALA A 82 -19.040 -5.675 0.301 1.00 51.42 C ATOM 1236 C ALA A 82 -19.349 -5.627 1.793 1.00 12.10 C ATOM 1237 O ALA A 82 -19.883 -6.583 2.357 1.00 52.43 O ATOM 1238 CB ALA A 82 -18.000 -6.746 0.008 1.00 4.13 C ATOM 0 H ALA A 82 -17.736 -4.034 0.276 1.00 5.32 H new ATOM 0 HA ALA A 82 -19.961 -5.926 -0.226 1.00 51.42 H new ATOM 0 HB1 ALA A 82 -18.357 -7.709 0.373 1.00 4.13 H new ATOM 0 HB2 ALA A 82 -17.832 -6.805 -1.067 1.00 4.13 H new ATOM 0 HB3 ALA A 82 -17.065 -6.492 0.508 1.00 4.13 H new TER 1244 ALA A 82