USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 589 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 19 ASN : amide:sc= -1.05 X(o=-1,f=-0.78) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl -172:sc= 0 (180deg=-0.0406) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc=-0.00305 X(o=-0.003,f=-0.11) USER MOD Single : A 74 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.0019) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.098 -0.371 -0.570 1.00 64.34 N ATOM 2 CA MET A 1 3.450 -0.399 -1.877 1.00 25.14 C ATOM 3 C MET A 1 3.310 -1.831 -2.383 1.00 52.03 C ATOM 4 O MET A 1 2.200 -2.328 -2.567 1.00 34.43 O ATOM 5 CB MET A 1 4.247 0.434 -2.882 1.00 52.35 C ATOM 6 CG MET A 1 3.466 1.608 -3.452 1.00 64.22 C ATOM 7 SD MET A 1 4.163 3.202 -2.976 1.00 74.53 S ATOM 8 CE MET A 1 4.474 3.928 -4.583 1.00 41.43 C ATOM 0 H1 MET A 1 4.183 0.613 -0.245 1.00 64.34 H new ATOM 0 H2 MET A 1 3.529 -0.912 0.111 1.00 64.34 H new ATOM 0 H3 MET A 1 5.045 -0.794 -0.643 1.00 64.34 H new ATOM 0 HA MET A 1 2.453 0.029 -1.771 1.00 25.14 H new ATOM 0 HB2 MET A 1 5.149 0.809 -2.397 1.00 52.35 H new ATOM 0 HB3 MET A 1 4.569 -0.209 -3.701 1.00 52.35 H new ATOM 0 HG2 MET A 1 3.448 1.534 -4.539 1.00 64.22 H new ATOM 0 HG3 MET A 1 2.432 1.551 -3.111 1.00 64.22 H new ATOM 0 HE1 MET A 1 4.907 4.920 -4.456 1.00 41.43 H new ATOM 0 HE2 MET A 1 5.168 3.297 -5.139 1.00 41.43 H new ATOM 0 HE3 MET A 1 3.537 4.009 -5.133 1.00 41.43 H new ATOM 18 N GLY A 2 4.443 -2.489 -2.608 1.00 43.21 N ATOM 19 CA GLY A 2 4.424 -3.857 -3.092 1.00 15.20 C ATOM 20 C GLY A 2 5.790 -4.331 -3.545 1.00 21.54 C ATOM 21 O GLY A 2 6.005 -4.593 -4.729 1.00 32.13 O ATOM 0 H GLY A 2 5.374 -2.099 -2.464 1.00 43.21 H new ATOM 0 HA2 GLY A 2 4.059 -4.513 -2.302 1.00 15.20 H new ATOM 0 HA3 GLY A 2 3.722 -3.936 -3.922 1.00 15.20 H new ATOM 25 N THR A 3 6.719 -4.442 -2.600 1.00 63.12 N ATOM 26 CA THR A 3 8.073 -4.885 -2.908 1.00 61.41 C ATOM 27 C THR A 3 8.731 -5.527 -1.692 1.00 45.02 C ATOM 28 O THR A 3 8.442 -5.161 -0.553 1.00 4.44 O ATOM 29 CB THR A 3 8.950 -3.716 -3.395 1.00 71.34 C ATOM 30 OG1 THR A 3 10.288 -4.171 -3.627 1.00 52.13 O ATOM 31 CG2 THR A 3 8.962 -2.587 -2.376 1.00 20.53 C ATOM 0 H THR A 3 6.558 -4.231 -1.615 1.00 63.12 H new ATOM 0 HA THR A 3 7.990 -5.623 -3.705 1.00 61.41 H new ATOM 0 HB THR A 3 8.529 -3.338 -4.327 1.00 71.34 H new ATOM 0 HG1 THR A 3 10.839 -3.422 -3.938 1.00 52.13 H new ATOM 0 HG21 THR A 3 9.588 -1.773 -2.742 1.00 20.53 H new ATOM 0 HG22 THR A 3 7.946 -2.223 -2.224 1.00 20.53 H new ATOM 0 HG23 THR A 3 9.361 -2.954 -1.431 1.00 20.53 H new ATOM 39 N ILE A 4 9.618 -6.485 -1.942 1.00 34.13 N ATOM 40 CA ILE A 4 10.318 -7.176 -0.866 1.00 42.13 C ATOM 41 C ILE A 4 10.964 -6.184 0.095 1.00 23.11 C ATOM 42 O ILE A 4 10.942 -6.378 1.311 1.00 51.33 O ATOM 43 CB ILE A 4 11.403 -8.121 -1.417 1.00 14.13 C ATOM 44 CG1 ILE A 4 10.775 -9.178 -2.328 1.00 15.35 C ATOM 45 CG2 ILE A 4 12.160 -8.781 -0.274 1.00 14.00 C ATOM 46 CD1 ILE A 4 9.706 -10.004 -1.647 1.00 31.11 C ATOM 0 H ILE A 4 9.869 -6.800 -2.879 1.00 34.13 H new ATOM 0 HA ILE A 4 9.573 -7.764 -0.330 1.00 42.13 H new ATOM 0 HB ILE A 4 12.110 -7.536 -2.005 1.00 14.13 H new ATOM 0 HG12 ILE A 4 10.342 -8.685 -3.199 1.00 15.35 H new ATOM 0 HG13 ILE A 4 11.558 -9.842 -2.694 1.00 15.35 H new ATOM 0 HG21 ILE A 4 12.923 -9.446 -0.679 1.00 14.00 H new ATOM 0 HG22 ILE A 4 12.634 -8.014 0.339 1.00 14.00 H new ATOM 0 HG23 ILE A 4 11.465 -9.356 0.338 1.00 14.00 H new ATOM 0 HD11 ILE A 4 9.305 -10.732 -2.352 1.00 31.11 H new ATOM 0 HD12 ILE A 4 10.138 -10.525 -0.793 1.00 31.11 H new ATOM 0 HD13 ILE A 4 8.904 -9.350 -1.305 1.00 31.11 H new ATOM 58 N ASP A 5 11.538 -5.121 -0.458 1.00 32.04 N ATOM 59 CA ASP A 5 12.188 -4.096 0.351 1.00 60.13 C ATOM 60 C ASP A 5 11.241 -3.568 1.424 1.00 72.23 C ATOM 61 O ASP A 5 11.674 -3.154 2.499 1.00 42.10 O ATOM 62 CB ASP A 5 12.667 -2.945 -0.535 1.00 70.24 C ATOM 63 CG ASP A 5 14.019 -2.408 -0.107 1.00 34.40 C ATOM 64 OD1 ASP A 5 14.187 -2.118 1.096 1.00 51.45 O ATOM 65 OD2 ASP A 5 14.908 -2.278 -0.974 1.00 72.25 O ATOM 0 H ASP A 5 11.566 -4.947 -1.463 1.00 32.04 H new ATOM 0 HA ASP A 5 13.049 -4.549 0.843 1.00 60.13 H new ATOM 0 HB2 ASP A 5 12.726 -3.286 -1.569 1.00 70.24 H new ATOM 0 HB3 ASP A 5 11.934 -2.139 -0.506 1.00 70.24 H new ATOM 70 N ASP A 6 9.947 -3.585 1.124 1.00 71.35 N ATOM 71 CA ASP A 6 8.938 -3.108 2.062 1.00 31.42 C ATOM 72 C ASP A 6 8.889 -3.993 3.304 1.00 61.53 C ATOM 73 O ASP A 6 8.613 -3.520 4.405 1.00 11.43 O ATOM 74 CB ASP A 6 7.564 -3.073 1.392 1.00 55.50 C ATOM 75 CG ASP A 6 6.755 -1.854 1.794 1.00 62.45 C ATOM 76 OD1 ASP A 6 7.240 -0.723 1.580 1.00 22.32 O ATOM 77 OD2 ASP A 6 5.637 -2.032 2.320 1.00 22.13 O ATOM 0 H ASP A 6 9.572 -3.924 0.238 1.00 71.35 H new ATOM 0 HA ASP A 6 9.211 -2.098 2.368 1.00 31.42 H new ATOM 0 HB2 ASP A 6 7.690 -3.081 0.309 1.00 55.50 H new ATOM 0 HB3 ASP A 6 7.012 -3.975 1.655 1.00 55.50 H new ATOM 82 N ALA A 7 9.158 -5.281 3.117 1.00 62.50 N ATOM 83 CA ALA A 7 9.146 -6.232 4.222 1.00 70.44 C ATOM 84 C ALA A 7 10.253 -5.924 5.224 1.00 62.13 C ATOM 85 O ALA A 7 10.037 -5.964 6.435 1.00 14.21 O ATOM 86 CB ALA A 7 9.288 -7.653 3.696 1.00 35.33 C ATOM 0 H ALA A 7 9.387 -5.690 2.211 1.00 62.50 H new ATOM 0 HA ALA A 7 8.190 -6.140 4.738 1.00 70.44 H new ATOM 0 HB1 ALA A 7 9.278 -8.353 4.531 1.00 35.33 H new ATOM 0 HB2 ALA A 7 8.459 -7.877 3.025 1.00 35.33 H new ATOM 0 HB3 ALA A 7 10.229 -7.748 3.155 1.00 35.33 H new ATOM 92 N PHE A 8 11.440 -5.618 4.711 1.00 3.41 N ATOM 93 CA PHE A 8 12.583 -5.304 5.562 1.00 75.12 C ATOM 94 C PHE A 8 12.401 -3.949 6.238 1.00 0.53 C ATOM 95 O PHE A 8 12.864 -3.735 7.359 1.00 34.31 O ATOM 96 CB PHE A 8 13.873 -5.308 4.740 1.00 25.14 C ATOM 97 CG PHE A 8 14.003 -6.498 3.834 1.00 64.44 C ATOM 98 CD1 PHE A 8 13.707 -7.771 4.293 1.00 72.51 C ATOM 99 CD2 PHE A 8 14.423 -6.344 2.522 1.00 33.20 C ATOM 100 CE1 PHE A 8 13.825 -8.869 3.461 1.00 51.00 C ATOM 101 CE2 PHE A 8 14.542 -7.438 1.685 1.00 3.24 C ATOM 102 CZ PHE A 8 14.244 -8.702 2.156 1.00 43.22 C ATOM 0 H PHE A 8 11.636 -5.581 3.711 1.00 3.41 H new ATOM 0 HA PHE A 8 12.651 -6.069 6.335 1.00 75.12 H new ATOM 0 HB2 PHE A 8 13.915 -4.399 4.140 1.00 25.14 H new ATOM 0 HB3 PHE A 8 14.726 -5.283 5.418 1.00 25.14 H new ATOM 0 HD1 PHE A 8 13.380 -7.908 5.313 1.00 72.51 H new ATOM 0 HD2 PHE A 8 14.660 -5.358 2.149 1.00 33.20 H new ATOM 0 HE1 PHE A 8 13.590 -9.856 3.831 1.00 51.00 H new ATOM 0 HE2 PHE A 8 14.868 -7.305 0.664 1.00 3.24 H new ATOM 0 HZ PHE A 8 14.339 -9.558 1.505 1.00 43.22 H new ATOM 112 N ARG A 9 11.725 -3.036 5.549 1.00 50.44 N ATOM 113 CA ARG A 9 11.483 -1.700 6.081 1.00 5.00 C ATOM 114 C ARG A 9 10.349 -1.718 7.101 1.00 32.31 C ATOM 115 O ARG A 9 10.356 -0.955 8.066 1.00 2.02 O ATOM 116 CB ARG A 9 11.149 -0.729 4.947 1.00 11.35 C ATOM 117 CG ARG A 9 12.354 -0.332 4.110 1.00 54.01 C ATOM 118 CD ARG A 9 12.003 0.762 3.113 1.00 61.40 C ATOM 119 NE ARG A 9 13.044 1.783 3.033 1.00 14.31 N ATOM 120 CZ ARG A 9 13.080 2.723 2.095 1.00 1.43 C ATOM 121 NH1 ARG A 9 12.139 2.771 1.163 1.00 14.20 N ATOM 122 NH2 ARG A 9 14.060 3.618 2.089 1.00 14.52 N ATOM 0 H ARG A 9 11.335 -3.197 4.620 1.00 50.44 H new ATOM 0 HA ARG A 9 12.392 -1.365 6.581 1.00 5.00 H new ATOM 0 HB2 ARG A 9 10.401 -1.185 4.298 1.00 11.35 H new ATOM 0 HB3 ARG A 9 10.699 0.169 5.370 1.00 11.35 H new ATOM 0 HG2 ARG A 9 13.155 0.013 4.764 1.00 54.01 H new ATOM 0 HG3 ARG A 9 12.732 -1.204 3.577 1.00 54.01 H new ATOM 0 HD2 ARG A 9 11.852 0.320 2.128 1.00 61.40 H new ATOM 0 HD3 ARG A 9 11.060 1.227 3.402 1.00 61.40 H new ATOM 0 HE ARG A 9 13.784 1.774 3.735 1.00 14.31 H new ATOM 0 HH11 ARG A 9 11.384 2.085 1.165 1.00 14.20 H new ATOM 0 HH12 ARG A 9 12.170 3.494 0.444 1.00 14.20 H new ATOM 0 HH21 ARG A 9 14.786 3.584 2.805 1.00 14.52 H new ATOM 0 HH22 ARG A 9 14.087 4.340 1.369 1.00 14.52 H new ATOM 136 N ALA A 10 9.375 -2.595 6.879 1.00 11.04 N ATOM 137 CA ALA A 10 8.235 -2.714 7.779 1.00 15.24 C ATOM 138 C ALA A 10 8.618 -3.452 9.057 1.00 23.22 C ATOM 139 O ALA A 10 8.005 -3.256 10.107 1.00 75.14 O ATOM 140 CB ALA A 10 7.084 -3.424 7.082 1.00 33.23 C ATOM 0 H ALA A 10 9.353 -3.233 6.084 1.00 11.04 H new ATOM 0 HA ALA A 10 7.915 -1.709 8.054 1.00 15.24 H new ATOM 0 HB1 ALA A 10 6.239 -3.506 7.766 1.00 33.23 H new ATOM 0 HB2 ALA A 10 6.785 -2.854 6.202 1.00 33.23 H new ATOM 0 HB3 ALA A 10 7.402 -4.421 6.778 1.00 33.23 H new ATOM 146 N ILE A 11 9.636 -4.302 8.961 1.00 14.43 N ATOM 147 CA ILE A 11 10.100 -5.069 10.110 1.00 5.32 C ATOM 148 C ILE A 11 10.340 -4.164 11.314 1.00 22.44 C ATOM 149 O ILE A 11 10.221 -4.596 12.460 1.00 31.54 O ATOM 150 CB ILE A 11 11.399 -5.832 9.789 1.00 31.22 C ATOM 151 CG1 ILE A 11 11.530 -7.061 10.692 1.00 42.23 C ATOM 152 CG2 ILE A 11 12.604 -4.918 9.951 1.00 64.43 C ATOM 153 CD1 ILE A 11 11.922 -8.318 9.948 1.00 61.15 C ATOM 0 H ILE A 11 10.154 -4.476 8.100 1.00 14.43 H new ATOM 0 HA ILE A 11 9.315 -5.787 10.349 1.00 5.32 H new ATOM 0 HB ILE A 11 11.360 -6.168 8.753 1.00 31.22 H new ATOM 0 HG12 ILE A 11 12.273 -6.858 11.463 1.00 42.23 H new ATOM 0 HG13 ILE A 11 10.581 -7.231 11.201 1.00 42.23 H new ATOM 0 HG21 ILE A 11 13.514 -5.472 9.721 1.00 64.43 H new ATOM 0 HG22 ILE A 11 12.512 -4.071 9.271 1.00 64.43 H new ATOM 0 HG23 ILE A 11 12.650 -4.555 10.978 1.00 64.43 H new ATOM 0 HD11 ILE A 11 11.996 -9.148 10.650 1.00 61.15 H new ATOM 0 HD12 ILE A 11 11.167 -8.546 9.195 1.00 61.15 H new ATOM 0 HD13 ILE A 11 12.886 -8.167 9.461 1.00 61.15 H new ATOM 165 N GLU A 12 10.677 -2.907 11.046 1.00 41.24 N ATOM 166 CA GLU A 12 10.932 -1.941 12.108 1.00 24.31 C ATOM 167 C GLU A 12 9.731 -1.830 13.043 1.00 62.53 C ATOM 168 O GLU A 12 9.885 -1.613 14.245 1.00 54.44 O ATOM 169 CB GLU A 12 11.258 -0.570 11.514 1.00 42.55 C ATOM 170 CG GLU A 12 11.872 0.397 12.513 1.00 74.22 C ATOM 171 CD GLU A 12 11.828 1.835 12.035 1.00 11.44 C ATOM 172 OE1 GLU A 12 10.721 2.413 11.994 1.00 22.23 O ATOM 173 OE2 GLU A 12 12.899 2.384 11.703 1.00 63.41 O ATOM 0 H GLU A 12 10.780 -2.533 10.102 1.00 41.24 H new ATOM 0 HA GLU A 12 11.788 -2.292 12.684 1.00 24.31 H new ATOM 0 HB2 GLU A 12 11.945 -0.700 10.678 1.00 42.55 H new ATOM 0 HB3 GLU A 12 10.345 -0.132 11.111 1.00 42.55 H new ATOM 0 HG2 GLU A 12 11.343 0.317 13.463 1.00 74.22 H new ATOM 0 HG3 GLU A 12 12.907 0.112 12.700 1.00 74.22 H new ATOM 180 N ARG A 13 8.536 -1.982 12.481 1.00 2.52 N ATOM 181 CA ARG A 13 7.309 -1.897 13.263 1.00 55.31 C ATOM 182 C ARG A 13 7.104 -3.161 14.093 1.00 4.53 C ATOM 183 O ARG A 13 6.495 -3.121 15.162 1.00 60.43 O ATOM 184 CB ARG A 13 6.106 -1.679 12.342 1.00 4.12 C ATOM 185 CG ARG A 13 5.217 -0.521 12.765 1.00 31.44 C ATOM 186 CD ARG A 13 5.262 0.614 11.755 1.00 51.11 C ATOM 187 NE ARG A 13 4.226 0.480 10.734 1.00 32.04 N ATOM 188 CZ ARG A 13 3.959 1.416 9.830 1.00 25.21 C ATOM 189 NH1 ARG A 13 4.650 2.548 9.820 1.00 73.34 N ATOM 190 NH2 ARG A 13 3.001 1.220 8.933 1.00 1.14 N ATOM 0 H ARG A 13 8.392 -2.164 11.488 1.00 2.52 H new ATOM 0 HA ARG A 13 7.398 -1.048 13.941 1.00 55.31 H new ATOM 0 HB2 ARG A 13 6.463 -1.500 11.328 1.00 4.12 H new ATOM 0 HB3 ARG A 13 5.511 -2.592 12.314 1.00 4.12 H new ATOM 0 HG2 ARG A 13 4.190 -0.871 12.875 1.00 31.44 H new ATOM 0 HG3 ARG A 13 5.536 -0.154 13.741 1.00 31.44 H new ATOM 0 HD2 ARG A 13 5.139 1.565 12.273 1.00 51.11 H new ATOM 0 HD3 ARG A 13 6.241 0.635 11.277 1.00 51.11 H new ATOM 0 HE ARG A 13 3.677 -0.380 10.714 1.00 32.04 H new ATOM 0 HH11 ARG A 13 5.388 2.701 10.507 1.00 73.34 H new ATOM 0 HH12 ARG A 13 4.443 3.265 9.125 1.00 73.34 H new ATOM 0 HH21 ARG A 13 2.469 0.350 8.937 1.00 1.14 H new ATOM 0 HH22 ARG A 13 2.797 1.939 8.239 1.00 1.14 H new ATOM 204 N ALA A 14 7.618 -4.280 13.594 1.00 51.12 N ATOM 205 CA ALA A 14 7.493 -5.555 14.290 1.00 44.43 C ATOM 206 C ALA A 14 8.263 -5.539 15.606 1.00 65.02 C ATOM 207 O ALA A 14 7.722 -5.884 16.656 1.00 21.35 O ATOM 208 CB ALA A 14 7.983 -6.690 13.403 1.00 73.00 C ATOM 0 H ALA A 14 8.125 -4.330 12.710 1.00 51.12 H new ATOM 0 HA ALA A 14 6.439 -5.716 14.518 1.00 44.43 H new ATOM 0 HB1 ALA A 14 7.884 -7.636 13.935 1.00 73.00 H new ATOM 0 HB2 ALA A 14 7.387 -6.722 12.491 1.00 73.00 H new ATOM 0 HB3 ALA A 14 9.030 -6.526 13.147 1.00 73.00 H new ATOM 214 N ILE A 15 9.528 -5.137 15.541 1.00 64.50 N ATOM 215 CA ILE A 15 10.372 -5.077 16.728 1.00 31.12 C ATOM 216 C ILE A 15 9.825 -4.077 17.741 1.00 35.42 C ATOM 217 O ILE A 15 9.890 -4.304 18.949 1.00 62.51 O ATOM 218 CB ILE A 15 11.819 -4.689 16.371 1.00 20.14 C ATOM 219 CG1 ILE A 15 12.676 -4.610 17.637 1.00 72.43 C ATOM 220 CG2 ILE A 15 11.843 -3.363 15.625 1.00 24.43 C ATOM 221 CD1 ILE A 15 13.923 -5.464 17.576 1.00 42.12 C ATOM 0 H ILE A 15 9.991 -4.848 14.679 1.00 64.50 H new ATOM 0 HA ILE A 15 10.370 -6.074 17.167 1.00 31.12 H new ATOM 0 HB ILE A 15 12.236 -5.457 15.720 1.00 20.14 H new ATOM 0 HG12 ILE A 15 12.964 -3.573 17.807 1.00 72.43 H new ATOM 0 HG13 ILE A 15 12.075 -4.919 18.493 1.00 72.43 H new ATOM 0 HG21 ILE A 15 12.872 -3.102 15.380 1.00 24.43 H new ATOM 0 HG22 ILE A 15 11.262 -3.452 14.707 1.00 24.43 H new ATOM 0 HG23 ILE A 15 11.411 -2.584 16.254 1.00 24.43 H new ATOM 0 HD11 ILE A 15 14.482 -5.359 18.506 1.00 42.12 H new ATOM 0 HD12 ILE A 15 13.643 -6.508 17.437 1.00 42.12 H new ATOM 0 HD13 ILE A 15 14.545 -5.141 16.741 1.00 42.12 H new ATOM 233 N GLN A 16 9.283 -2.972 17.240 1.00 3.31 N ATOM 234 CA GLN A 16 8.723 -1.938 18.102 1.00 1.41 C ATOM 235 C GLN A 16 7.538 -2.475 18.897 1.00 31.05 C ATOM 236 O GLN A 16 7.199 -1.948 19.956 1.00 35.04 O ATOM 237 CB GLN A 16 8.288 -0.730 17.269 1.00 23.35 C ATOM 238 CG GLN A 16 9.326 0.379 17.218 1.00 24.02 C ATOM 239 CD GLN A 16 8.705 1.753 17.062 1.00 21.03 C ATOM 240 OE1 GLN A 16 7.739 1.930 16.319 1.00 23.42 O ATOM 241 NE2 GLN A 16 9.257 2.736 17.764 1.00 21.34 N ATOM 0 H GLN A 16 9.220 -2.770 16.242 1.00 3.31 H new ATOM 0 HA GLN A 16 9.497 -1.627 18.804 1.00 1.41 H new ATOM 0 HB2 GLN A 16 8.070 -1.059 16.253 1.00 23.35 H new ATOM 0 HB3 GLN A 16 7.361 -0.330 17.680 1.00 23.35 H new ATOM 0 HG2 GLN A 16 9.922 0.355 18.130 1.00 24.02 H new ATOM 0 HG3 GLN A 16 10.007 0.196 16.387 1.00 24.02 H new ATOM 0 HE21 GLN A 16 10.057 2.545 18.368 1.00 21.34 H new ATOM 0 HE22 GLN A 16 8.881 3.682 17.700 1.00 21.34 H new ATOM 250 N ALA A 17 6.912 -3.527 18.379 1.00 0.34 N ATOM 251 CA ALA A 17 5.766 -4.136 19.042 1.00 32.41 C ATOM 252 C ALA A 17 6.078 -4.449 20.502 1.00 52.33 C ATOM 253 O ALA A 17 5.266 -4.187 21.389 1.00 40.24 O ATOM 254 CB ALA A 17 5.343 -5.401 18.309 1.00 51.54 C ATOM 0 H ALA A 17 7.179 -3.975 17.502 1.00 0.34 H new ATOM 0 HA ALA A 17 4.943 -3.422 19.018 1.00 32.41 H new ATOM 0 HB1 ALA A 17 4.486 -5.845 18.815 1.00 51.54 H new ATOM 0 HB2 ALA A 17 5.070 -5.153 17.283 1.00 51.54 H new ATOM 0 HB3 ALA A 17 6.169 -6.112 18.303 1.00 51.54 H new ATOM 260 N GLU A 18 7.258 -5.010 20.743 1.00 63.42 N ATOM 261 CA GLU A 18 7.675 -5.360 22.096 1.00 44.53 C ATOM 262 C GLU A 18 6.618 -6.214 22.788 1.00 75.34 C ATOM 263 O GLU A 18 6.241 -5.951 23.929 1.00 63.40 O ATOM 264 CB GLU A 18 7.940 -4.094 22.914 1.00 33.13 C ATOM 265 CG GLU A 18 9.087 -3.253 22.381 1.00 51.43 C ATOM 266 CD GLU A 18 9.451 -2.108 23.307 1.00 74.15 C ATOM 267 OE1 GLU A 18 9.103 -2.179 24.504 1.00 70.13 O ATOM 268 OE2 GLU A 18 10.084 -1.141 22.833 1.00 34.10 O ATOM 0 H GLU A 18 7.942 -5.232 20.020 1.00 63.42 H new ATOM 0 HA GLU A 18 8.596 -5.939 22.027 1.00 44.53 H new ATOM 0 HB2 GLU A 18 7.034 -3.488 22.933 1.00 33.13 H new ATOM 0 HB3 GLU A 18 8.156 -4.376 23.944 1.00 33.13 H new ATOM 0 HG2 GLU A 18 9.961 -3.888 22.234 1.00 51.43 H new ATOM 0 HG3 GLU A 18 8.816 -2.853 21.404 1.00 51.43 H new ATOM 275 N ASN A 19 6.142 -7.239 22.087 1.00 53.41 N ATOM 276 CA ASN A 19 5.126 -8.132 22.633 1.00 42.15 C ATOM 277 C ASN A 19 5.532 -9.592 22.452 1.00 2.52 C ATOM 278 O ASN A 19 6.492 -9.896 21.745 1.00 2.41 O ATOM 279 CB ASN A 19 3.778 -7.879 21.956 1.00 54.31 C ATOM 280 CG ASN A 19 2.612 -8.396 22.777 1.00 24.12 C ATOM 281 OD1 ASN A 19 1.762 -9.131 22.274 1.00 11.54 O ATOM 282 ND2 ASN A 19 2.569 -8.014 24.048 1.00 12.22 N ATOM 0 H ASN A 19 6.443 -7.471 21.141 1.00 53.41 H new ATOM 0 HA ASN A 19 5.033 -7.928 23.700 1.00 42.15 H new ATOM 0 HB2 ASN A 19 3.654 -6.809 21.788 1.00 54.31 H new ATOM 0 HB3 ASN A 19 3.770 -8.359 20.977 1.00 54.31 H new ATOM 0 HD21 ASN A 19 1.809 -8.331 24.650 1.00 12.22 H new ATOM 0 HD22 ASN A 19 3.296 -7.404 24.422 1.00 12.22 H new ATOM 289 N GLU A 20 4.793 -10.490 23.096 1.00 4.43 N ATOM 290 CA GLU A 20 5.077 -11.917 23.007 1.00 61.13 C ATOM 291 C GLU A 20 3.822 -12.699 22.629 1.00 41.41 C ATOM 292 O GLU A 20 3.404 -13.606 23.346 1.00 75.40 O ATOM 293 CB GLU A 20 5.632 -12.434 24.336 1.00 42.33 C ATOM 294 CG GLU A 20 4.886 -11.910 25.552 1.00 65.05 C ATOM 295 CD GLU A 20 5.454 -12.436 26.855 1.00 4.15 C ATOM 296 OE1 GLU A 20 6.678 -12.302 27.065 1.00 24.43 O ATOM 297 OE2 GLU A 20 4.676 -12.981 27.665 1.00 11.25 O ATOM 0 H GLU A 20 3.994 -10.254 23.684 1.00 4.43 H new ATOM 0 HA GLU A 20 5.825 -12.064 22.228 1.00 61.13 H new ATOM 0 HB2 GLU A 20 5.592 -13.523 24.337 1.00 42.33 H new ATOM 0 HB3 GLU A 20 6.682 -12.153 24.415 1.00 42.33 H new ATOM 0 HG2 GLU A 20 4.925 -10.821 25.556 1.00 65.05 H new ATOM 0 HG3 GLU A 20 3.835 -12.191 25.478 1.00 65.05 H new ATOM 304 N GLY A 21 3.226 -12.338 21.497 1.00 54.24 N ATOM 305 CA GLY A 21 2.024 -13.014 21.043 1.00 43.21 C ATOM 306 C GLY A 21 1.718 -12.735 19.585 1.00 55.21 C ATOM 307 O GLY A 21 1.694 -13.651 18.762 1.00 14.45 O ATOM 0 H GLY A 21 3.554 -11.590 20.886 1.00 54.24 H new ATOM 0 HA2 GLY A 21 2.138 -14.088 21.188 1.00 43.21 H new ATOM 0 HA3 GLY A 21 1.180 -12.698 21.655 1.00 43.21 H new ATOM 311 N ARG A 22 1.481 -11.467 19.264 1.00 73.23 N ATOM 312 CA ARG A 22 1.171 -11.071 17.895 1.00 11.24 C ATOM 313 C ARG A 22 2.444 -10.949 17.063 1.00 20.11 C ATOM 314 O ARG A 22 2.404 -11.021 15.835 1.00 60.24 O ATOM 315 CB ARG A 22 0.414 -9.742 17.886 1.00 53.41 C ATOM 316 CG ARG A 22 1.195 -8.591 18.498 1.00 4.14 C ATOM 317 CD ARG A 22 1.207 -7.376 17.584 1.00 64.24 C ATOM 318 NE ARG A 22 1.365 -6.131 18.330 1.00 50.33 N ATOM 319 CZ ARG A 22 0.387 -5.562 19.026 1.00 71.31 C ATOM 320 NH1 ARG A 22 -0.813 -6.125 19.072 1.00 63.35 N ATOM 321 NH2 ARG A 22 0.608 -4.428 19.679 1.00 71.51 N ATOM 0 H ARG A 22 1.498 -10.697 19.933 1.00 73.23 H new ATOM 0 HA ARG A 22 0.542 -11.843 17.453 1.00 11.24 H new ATOM 0 HB2 ARG A 22 0.155 -9.488 16.858 1.00 53.41 H new ATOM 0 HB3 ARG A 22 -0.523 -9.864 18.430 1.00 53.41 H new ATOM 0 HG2 ARG A 22 0.755 -8.321 19.458 1.00 4.14 H new ATOM 0 HG3 ARG A 22 2.219 -8.909 18.695 1.00 4.14 H new ATOM 0 HD2 ARG A 22 2.019 -7.472 16.864 1.00 64.24 H new ATOM 0 HD3 ARG A 22 0.278 -7.342 17.014 1.00 64.24 H new ATOM 0 HE ARG A 22 2.276 -5.673 18.316 1.00 50.33 H new ATOM 0 HH11 ARG A 22 -0.987 -6.997 18.572 1.00 63.35 H new ATOM 0 HH12 ARG A 22 -1.562 -5.686 19.607 1.00 63.35 H new ATOM 0 HH21 ARG A 22 1.530 -3.992 19.647 1.00 71.51 H new ATOM 0 HH22 ARG A 22 -0.144 -3.992 20.213 1.00 71.51 H new ATOM 335 N TYR A 23 3.572 -10.764 17.740 1.00 13.13 N ATOM 336 CA TYR A 23 4.856 -10.629 17.064 1.00 62.14 C ATOM 337 C TYR A 23 5.079 -11.778 16.085 1.00 44.23 C ATOM 338 O TYR A 23 5.776 -11.626 15.081 1.00 24.42 O ATOM 339 CB TYR A 23 5.993 -10.587 18.086 1.00 20.41 C ATOM 340 CG TYR A 23 6.366 -11.947 18.633 1.00 13.11 C ATOM 341 CD1 TYR A 23 5.421 -12.745 19.267 1.00 2.23 C ATOM 342 CD2 TYR A 23 7.662 -12.433 18.517 1.00 71.12 C ATOM 343 CE1 TYR A 23 5.757 -13.987 19.769 1.00 21.33 C ATOM 344 CE2 TYR A 23 8.006 -13.675 19.014 1.00 4.24 C ATOM 345 CZ TYR A 23 7.051 -14.448 19.640 1.00 73.01 C ATOM 346 OH TYR A 23 7.390 -15.685 20.138 1.00 2.12 O ATOM 0 H TYR A 23 3.623 -10.704 18.757 1.00 13.13 H new ATOM 0 HA TYR A 23 4.846 -9.694 16.504 1.00 62.14 H new ATOM 0 HB2 TYR A 23 6.871 -10.138 17.622 1.00 20.41 H new ATOM 0 HB3 TYR A 23 5.703 -9.939 18.913 1.00 20.41 H new ATOM 0 HD1 TYR A 23 4.407 -12.388 19.369 1.00 2.23 H new ATOM 0 HD2 TYR A 23 8.414 -11.829 18.030 1.00 71.12 H new ATOM 0 HE1 TYR A 23 5.011 -14.594 20.260 1.00 21.33 H new ATOM 0 HE2 TYR A 23 9.018 -14.039 18.913 1.00 4.24 H new ATOM 0 HH TYR A 23 8.339 -15.859 19.964 1.00 2.12 H new ATOM 356 N ARG A 24 4.482 -12.926 16.384 1.00 31.54 N ATOM 357 CA ARG A 24 4.615 -14.102 15.532 1.00 0.04 C ATOM 358 C ARG A 24 3.798 -13.942 14.254 1.00 52.02 C ATOM 359 O ARG A 24 4.225 -14.358 13.177 1.00 34.44 O ATOM 360 CB ARG A 24 4.166 -15.356 16.284 1.00 73.41 C ATOM 361 CG ARG A 24 2.686 -15.360 16.633 1.00 64.33 C ATOM 362 CD ARG A 24 1.871 -16.116 15.595 1.00 63.01 C ATOM 363 NE ARG A 24 0.466 -15.720 15.609 1.00 74.15 N ATOM 364 CZ ARG A 24 -0.487 -16.369 14.948 1.00 40.30 C ATOM 365 NH1 ARG A 24 -0.186 -17.439 14.226 1.00 73.05 N ATOM 366 NH2 ARG A 24 -1.744 -15.947 15.010 1.00 64.13 N ATOM 0 H ARG A 24 3.901 -13.068 17.210 1.00 31.54 H new ATOM 0 HA ARG A 24 5.665 -14.206 15.260 1.00 0.04 H new ATOM 0 HB2 ARG A 24 4.390 -16.233 15.677 1.00 73.41 H new ATOM 0 HB3 ARG A 24 4.747 -15.447 17.202 1.00 73.41 H new ATOM 0 HG2 ARG A 24 2.543 -15.817 17.612 1.00 64.33 H new ATOM 0 HG3 ARG A 24 2.325 -14.334 16.704 1.00 64.33 H new ATOM 0 HD2 ARG A 24 2.289 -15.936 14.604 1.00 63.01 H new ATOM 0 HD3 ARG A 24 1.948 -17.187 15.783 1.00 63.01 H new ATOM 0 HE ARG A 24 0.201 -14.901 16.156 1.00 74.15 H new ATOM 0 HH11 ARG A 24 0.779 -17.766 14.177 1.00 73.05 H new ATOM 0 HH12 ARG A 24 -0.919 -17.935 13.720 1.00 73.05 H new ATOM 0 HH21 ARG A 24 -1.979 -15.124 15.565 1.00 64.13 H new ATOM 0 HH22 ARG A 24 -2.475 -16.446 14.502 1.00 64.13 H new ATOM 380 N GLU A 25 2.621 -13.337 14.381 1.00 1.44 N ATOM 381 CA GLU A 25 1.744 -13.123 13.236 1.00 63.41 C ATOM 382 C GLU A 25 2.255 -11.979 12.366 1.00 52.35 C ATOM 383 O GLU A 25 1.933 -11.895 11.181 1.00 51.52 O ATOM 384 CB GLU A 25 0.319 -12.825 13.705 1.00 32.22 C ATOM 385 CG GLU A 25 0.023 -11.342 13.848 1.00 54.35 C ATOM 386 CD GLU A 25 -1.035 -11.056 14.896 1.00 54.14 C ATOM 387 OE1 GLU A 25 -1.122 -11.823 15.877 1.00 71.54 O ATOM 388 OE2 GLU A 25 -1.777 -10.064 14.734 1.00 4.21 O ATOM 0 H GLU A 25 2.253 -12.986 15.265 1.00 1.44 H new ATOM 0 HA GLU A 25 1.739 -14.035 12.640 1.00 63.41 H new ATOM 0 HB2 GLU A 25 -0.386 -13.261 12.997 1.00 32.22 H new ATOM 0 HB3 GLU A 25 0.151 -13.314 14.664 1.00 32.22 H new ATOM 0 HG2 GLU A 25 0.941 -10.816 14.111 1.00 54.35 H new ATOM 0 HG3 GLU A 25 -0.307 -10.947 12.887 1.00 54.35 H new ATOM 395 N ALA A 26 3.052 -11.099 12.963 1.00 64.31 N ATOM 396 CA ALA A 26 3.609 -9.961 12.243 1.00 52.50 C ATOM 397 C ALA A 26 4.721 -10.400 11.297 1.00 50.44 C ATOM 398 O ALA A 26 4.877 -9.847 10.207 1.00 72.44 O ATOM 399 CB ALA A 26 4.128 -8.919 13.223 1.00 12.12 C ATOM 0 H ALA A 26 3.326 -11.153 13.944 1.00 64.31 H new ATOM 0 HA ALA A 26 2.813 -9.517 11.645 1.00 52.50 H new ATOM 0 HB1 ALA A 26 4.541 -8.075 12.671 1.00 12.12 H new ATOM 0 HB2 ALA A 26 3.309 -8.574 13.855 1.00 12.12 H new ATOM 0 HB3 ALA A 26 4.906 -9.361 13.846 1.00 12.12 H new ATOM 405 N LEU A 27 5.493 -11.395 11.719 1.00 15.24 N ATOM 406 CA LEU A 27 6.592 -11.908 10.909 1.00 32.03 C ATOM 407 C LEU A 27 6.066 -12.717 9.728 1.00 21.30 C ATOM 408 O LEU A 27 6.706 -12.792 8.678 1.00 15.45 O ATOM 409 CB LEU A 27 7.520 -12.774 11.763 1.00 35.31 C ATOM 410 CG LEU A 27 8.482 -12.022 12.683 1.00 63.24 C ATOM 411 CD1 LEU A 27 9.322 -13.000 13.490 1.00 44.51 C ATOM 412 CD2 LEU A 27 9.374 -11.091 11.874 1.00 12.12 C ATOM 0 H LEU A 27 5.378 -11.863 12.618 1.00 15.24 H new ATOM 0 HA LEU A 27 7.153 -11.058 10.522 1.00 32.03 H new ATOM 0 HB2 LEU A 27 6.906 -13.435 12.375 1.00 35.31 H new ATOM 0 HB3 LEU A 27 8.106 -13.408 11.098 1.00 35.31 H new ATOM 0 HG LEU A 27 7.896 -11.420 13.377 1.00 63.24 H new ATOM 0 HD11 LEU A 27 10.001 -12.447 14.139 1.00 44.51 H new ATOM 0 HD12 LEU A 27 8.668 -13.626 14.097 1.00 44.51 H new ATOM 0 HD13 LEU A 27 9.900 -13.629 12.812 1.00 44.51 H new ATOM 0 HD21 LEU A 27 10.053 -10.564 12.544 1.00 12.12 H new ATOM 0 HD22 LEU A 27 9.952 -11.673 11.157 1.00 12.12 H new ATOM 0 HD23 LEU A 27 8.757 -10.368 11.340 1.00 12.12 H new ATOM 424 N LYS A 28 4.896 -13.321 9.905 1.00 31.02 N ATOM 425 CA LYS A 28 4.281 -14.122 8.854 1.00 71.33 C ATOM 426 C LYS A 28 4.211 -13.342 7.545 1.00 1.41 C ATOM 427 O LYS A 28 4.266 -13.922 6.461 1.00 72.35 O ATOM 428 CB LYS A 28 2.876 -14.561 9.274 1.00 41.32 C ATOM 429 CG LYS A 28 2.476 -15.922 8.732 1.00 62.14 C ATOM 430 CD LYS A 28 1.086 -16.321 9.196 1.00 14.25 C ATOM 431 CE LYS A 28 0.906 -17.831 9.186 1.00 24.24 C ATOM 432 NZ LYS A 28 -0.472 -18.223 8.782 1.00 32.52 N ATOM 0 H LYS A 28 4.354 -13.271 10.768 1.00 31.02 H new ATOM 0 HA LYS A 28 4.900 -15.006 8.697 1.00 71.33 H new ATOM 0 HB2 LYS A 28 2.822 -14.583 10.362 1.00 41.32 H new ATOM 0 HB3 LYS A 28 2.155 -13.818 8.933 1.00 41.32 H new ATOM 0 HG2 LYS A 28 2.505 -15.904 7.643 1.00 62.14 H new ATOM 0 HG3 LYS A 28 3.198 -16.671 9.058 1.00 62.14 H new ATOM 0 HD2 LYS A 28 0.914 -15.940 10.203 1.00 14.25 H new ATOM 0 HD3 LYS A 28 0.339 -15.860 8.549 1.00 14.25 H new ATOM 0 HE2 LYS A 28 1.626 -18.278 8.501 1.00 24.24 H new ATOM 0 HE3 LYS A 28 1.121 -18.229 10.178 1.00 24.24 H new ATOM 0 HZ1 LYS A 28 -0.554 -19.260 8.788 1.00 32.52 H new ATOM 0 HZ2 LYS A 28 -1.158 -17.818 9.450 1.00 32.52 H new ATOM 0 HZ3 LYS A 28 -0.668 -17.866 7.825 1.00 32.52 H new ATOM 446 N HIS A 29 4.091 -12.022 7.654 1.00 64.20 N ATOM 447 CA HIS A 29 4.017 -11.162 6.479 1.00 55.24 C ATOM 448 C HIS A 29 5.375 -11.063 5.790 1.00 14.13 C ATOM 449 O HIS A 29 5.489 -11.288 4.585 1.00 1.13 O ATOM 450 CB HIS A 29 3.528 -9.767 6.872 1.00 61.34 C ATOM 451 CG HIS A 29 2.653 -9.126 5.839 1.00 61.01 C ATOM 452 ND1 HIS A 29 1.451 -8.522 6.141 1.00 31.01 N ATOM 453 CD2 HIS A 29 2.812 -8.995 4.501 1.00 25.11 C ATOM 454 CE1 HIS A 29 0.908 -8.049 5.034 1.00 52.13 C ATOM 455 NE2 HIS A 29 1.714 -8.323 4.024 1.00 4.52 N ATOM 0 H HIS A 29 4.043 -11.526 8.544 1.00 64.20 H new ATOM 0 HA HIS A 29 3.307 -11.604 5.780 1.00 55.24 H new ATOM 0 HB2 HIS A 29 2.978 -9.835 7.811 1.00 61.34 H new ATOM 0 HB3 HIS A 29 4.391 -9.126 7.054 1.00 61.34 H new ATOM 0 HD2 HIS A 29 3.647 -9.353 3.917 1.00 25.11 H new ATOM 0 HE1 HIS A 29 -0.035 -7.527 4.966 1.00 52.13 H new ATOM 0 HE2 HIS A 29 1.548 -8.076 3.049 1.00 4.52 H new ATOM 463 N PHE A 30 6.401 -10.724 6.563 1.00 20.13 N ATOM 464 CA PHE A 30 7.751 -10.594 6.028 1.00 41.53 C ATOM 465 C PHE A 30 8.254 -11.930 5.489 1.00 51.54 C ATOM 466 O PHE A 30 8.898 -11.986 4.440 1.00 31.31 O ATOM 467 CB PHE A 30 8.703 -10.076 7.108 1.00 42.32 C ATOM 468 CG PHE A 30 8.156 -8.910 7.881 1.00 73.03 C ATOM 469 CD1 PHE A 30 7.554 -7.848 7.225 1.00 61.10 C ATOM 470 CD2 PHE A 30 8.243 -8.876 9.263 1.00 23.01 C ATOM 471 CE1 PHE A 30 7.049 -6.774 7.933 1.00 11.03 C ATOM 472 CE2 PHE A 30 7.740 -7.805 9.977 1.00 54.13 C ATOM 473 CZ PHE A 30 7.143 -6.752 9.311 1.00 72.10 C ATOM 0 H PHE A 30 6.323 -10.534 7.562 1.00 20.13 H new ATOM 0 HA PHE A 30 7.721 -9.879 5.206 1.00 41.53 H new ATOM 0 HB2 PHE A 30 8.929 -10.887 7.801 1.00 42.32 H new ATOM 0 HB3 PHE A 30 9.644 -9.783 6.642 1.00 42.32 H new ATOM 0 HD1 PHE A 30 7.479 -7.860 6.148 1.00 61.10 H new ATOM 0 HD2 PHE A 30 8.709 -9.696 9.789 1.00 23.01 H new ATOM 0 HE1 PHE A 30 6.582 -5.953 7.410 1.00 11.03 H new ATOM 0 HE2 PHE A 30 7.814 -7.791 11.054 1.00 54.13 H new ATOM 0 HZ PHE A 30 6.751 -5.913 9.867 1.00 72.10 H new ATOM 483 N LEU A 31 7.956 -13.003 6.213 1.00 51.42 N ATOM 484 CA LEU A 31 8.377 -14.339 5.809 1.00 65.51 C ATOM 485 C LEU A 31 7.859 -14.676 4.414 1.00 4.42 C ATOM 486 O LEU A 31 8.522 -15.373 3.646 1.00 5.12 O ATOM 487 CB LEU A 31 7.879 -15.379 6.815 1.00 51.53 C ATOM 488 CG LEU A 31 8.716 -15.539 8.084 1.00 34.14 C ATOM 489 CD1 LEU A 31 7.818 -15.608 9.310 1.00 1.21 C ATOM 490 CD2 LEU A 31 9.592 -16.780 7.992 1.00 33.03 C ATOM 0 H LEU A 31 7.424 -12.974 7.083 1.00 51.42 H new ATOM 0 HA LEU A 31 9.467 -14.357 5.786 1.00 65.51 H new ATOM 0 HB2 LEU A 31 6.862 -15.116 7.105 1.00 51.53 H new ATOM 0 HB3 LEU A 31 7.828 -16.345 6.313 1.00 51.53 H new ATOM 0 HG LEU A 31 9.364 -14.668 8.182 1.00 34.14 H new ATOM 0 HD11 LEU A 31 8.431 -15.722 10.204 1.00 1.21 H new ATOM 0 HD12 LEU A 31 7.234 -14.691 9.385 1.00 1.21 H new ATOM 0 HD13 LEU A 31 7.145 -16.461 9.221 1.00 1.21 H new ATOM 0 HD21 LEU A 31 10.181 -16.878 8.904 1.00 33.03 H new ATOM 0 HD22 LEU A 31 8.963 -17.661 7.870 1.00 33.03 H new ATOM 0 HD23 LEU A 31 10.261 -16.691 7.136 1.00 33.03 H new ATOM 502 N ASP A 32 6.672 -14.174 4.093 1.00 42.40 N ATOM 503 CA ASP A 32 6.066 -14.418 2.789 1.00 2.32 C ATOM 504 C ASP A 32 6.881 -13.761 1.680 1.00 43.25 C ATOM 505 O ASP A 32 6.814 -14.169 0.521 1.00 52.10 O ATOM 506 CB ASP A 32 4.630 -13.892 2.764 1.00 42.21 C ATOM 507 CG ASP A 32 3.615 -14.991 2.521 1.00 62.31 C ATOM 508 OD1 ASP A 32 3.790 -16.094 3.080 1.00 1.11 O ATOM 509 OD2 ASP A 32 2.646 -14.750 1.771 1.00 42.53 O ATOM 0 H ASP A 32 6.110 -13.596 4.718 1.00 42.40 H new ATOM 0 HA ASP A 32 6.053 -15.494 2.617 1.00 2.32 H new ATOM 0 HB2 ASP A 32 4.410 -13.401 3.712 1.00 42.21 H new ATOM 0 HB3 ASP A 32 4.537 -13.136 1.984 1.00 42.21 H new ATOM 514 N GLY A 33 7.651 -12.739 2.043 1.00 61.21 N ATOM 515 CA GLY A 33 8.467 -12.041 1.067 1.00 60.34 C ATOM 516 C GLY A 33 9.545 -12.926 0.473 1.00 72.53 C ATOM 517 O GLY A 33 9.888 -12.796 -0.702 1.00 32.15 O ATOM 0 H GLY A 33 7.724 -12.382 2.996 1.00 61.21 H new ATOM 0 HA2 GLY A 33 7.829 -11.664 0.267 1.00 60.34 H new ATOM 0 HA3 GLY A 33 8.931 -11.175 1.539 1.00 60.34 H new ATOM 521 N GLY A 34 10.082 -13.830 1.287 1.00 2.22 N ATOM 522 CA GLY A 34 11.123 -14.725 0.818 1.00 23.41 C ATOM 523 C GLY A 34 10.584 -15.823 -0.077 1.00 73.11 C ATOM 524 O GLY A 34 11.056 -16.006 -1.199 1.00 12.43 O ATOM 0 H GLY A 34 9.814 -13.958 2.263 1.00 2.22 H new ATOM 0 HA2 GLY A 34 11.873 -14.151 0.273 1.00 23.41 H new ATOM 0 HA3 GLY A 34 11.626 -15.173 1.675 1.00 23.41 H new ATOM 528 N GLU A 35 9.593 -16.557 0.420 1.00 12.21 N ATOM 529 CA GLU A 35 8.991 -17.644 -0.343 1.00 21.13 C ATOM 530 C GLU A 35 8.435 -17.135 -1.670 1.00 21.14 C ATOM 531 O GLU A 35 8.275 -17.899 -2.621 1.00 14.10 O ATOM 532 CB GLU A 35 7.877 -18.310 0.468 1.00 40.22 C ATOM 533 CG GLU A 35 8.349 -18.886 1.792 1.00 11.44 C ATOM 534 CD GLU A 35 7.274 -19.693 2.493 1.00 31.44 C ATOM 535 OE1 GLU A 35 6.224 -19.950 1.868 1.00 34.44 O ATOM 536 OE2 GLU A 35 7.482 -20.068 3.666 1.00 25.20 O ATOM 0 H GLU A 35 9.190 -16.419 1.347 1.00 12.21 H new ATOM 0 HA GLU A 35 9.767 -18.380 -0.553 1.00 21.13 H new ATOM 0 HB2 GLU A 35 7.091 -17.579 0.659 1.00 40.22 H new ATOM 0 HB3 GLU A 35 7.432 -19.107 -0.128 1.00 40.22 H new ATOM 0 HG2 GLU A 35 9.219 -19.520 1.619 1.00 11.44 H new ATOM 0 HG3 GLU A 35 8.671 -18.073 2.443 1.00 11.44 H new ATOM 543 N MET A 36 8.143 -15.840 -1.724 1.00 12.21 N ATOM 544 CA MET A 36 7.605 -15.228 -2.934 1.00 23.32 C ATOM 545 C MET A 36 8.688 -15.087 -3.999 1.00 21.51 C ATOM 546 O MET A 36 8.416 -15.212 -5.194 1.00 2.45 O ATOM 547 CB MET A 36 7.006 -13.857 -2.615 1.00 31.31 C ATOM 548 CG MET A 36 5.489 -13.865 -2.516 1.00 60.31 C ATOM 549 SD MET A 36 4.717 -12.640 -3.590 1.00 75.43 S ATOM 550 CE MET A 36 5.319 -11.121 -2.859 1.00 2.40 C ATOM 0 H MET A 36 8.270 -15.194 -0.945 1.00 12.21 H new ATOM 0 HA MET A 36 6.820 -15.878 -3.322 1.00 23.32 H new ATOM 0 HB2 MET A 36 7.422 -13.498 -1.673 1.00 31.31 H new ATOM 0 HB3 MET A 36 7.308 -13.149 -3.387 1.00 31.31 H new ATOM 0 HG2 MET A 36 5.117 -14.856 -2.776 1.00 60.31 H new ATOM 0 HG3 MET A 36 5.195 -13.674 -1.484 1.00 60.31 H new ATOM 0 HE1 MET A 36 4.818 -10.271 -3.322 1.00 2.40 H new ATOM 0 HE2 MET A 36 5.113 -11.126 -1.789 1.00 2.40 H new ATOM 0 HE3 MET A 36 6.394 -11.040 -3.021 1.00 2.40 H new ATOM 560 N ILE A 37 9.915 -14.828 -3.559 1.00 15.43 N ATOM 561 CA ILE A 37 11.037 -14.671 -4.475 1.00 23.00 C ATOM 562 C ILE A 37 11.527 -16.024 -4.981 1.00 11.33 C ATOM 563 O ILE A 37 12.098 -16.123 -6.067 1.00 11.01 O ATOM 564 CB ILE A 37 12.210 -13.930 -3.806 1.00 64.24 C ATOM 565 CG1 ILE A 37 12.800 -12.894 -4.765 1.00 43.20 C ATOM 566 CG2 ILE A 37 13.278 -14.919 -3.364 1.00 65.45 C ATOM 567 CD1 ILE A 37 13.101 -13.446 -6.141 1.00 0.40 C ATOM 0 H ILE A 37 10.157 -14.723 -2.574 1.00 15.43 H new ATOM 0 HA ILE A 37 10.677 -14.080 -5.317 1.00 23.00 H new ATOM 0 HB ILE A 37 11.837 -13.410 -2.924 1.00 64.24 H new ATOM 0 HG12 ILE A 37 12.103 -12.061 -4.861 1.00 43.20 H new ATOM 0 HG13 ILE A 37 13.718 -12.493 -4.334 1.00 43.20 H new ATOM 0 HG21 ILE A 37 14.100 -14.380 -2.893 1.00 65.45 H new ATOM 0 HG22 ILE A 37 12.849 -15.623 -2.650 1.00 65.45 H new ATOM 0 HG23 ILE A 37 13.651 -15.464 -4.231 1.00 65.45 H new ATOM 0 HD11 ILE A 37 13.516 -12.656 -6.767 1.00 0.40 H new ATOM 0 HD12 ILE A 37 13.822 -14.259 -6.057 1.00 0.40 H new ATOM 0 HD13 ILE A 37 12.182 -13.821 -6.592 1.00 0.40 H new ATOM 579 N VAL A 38 11.298 -17.065 -4.186 1.00 42.42 N ATOM 580 CA VAL A 38 11.713 -18.413 -4.554 1.00 41.02 C ATOM 581 C VAL A 38 11.215 -18.780 -5.947 1.00 70.44 C ATOM 582 O VAL A 38 11.860 -19.541 -6.670 1.00 3.22 O ATOM 583 CB VAL A 38 11.195 -19.455 -3.545 1.00 5.34 C ATOM 584 CG1 VAL A 38 11.598 -20.858 -3.971 1.00 72.14 C ATOM 585 CG2 VAL A 38 11.712 -19.145 -2.148 1.00 0.33 C ATOM 0 H VAL A 38 10.827 -17.000 -3.283 1.00 42.42 H new ATOM 0 HA VAL A 38 12.803 -18.422 -4.547 1.00 41.02 H new ATOM 0 HB VAL A 38 10.106 -19.406 -3.525 1.00 5.34 H new ATOM 0 HG11 VAL A 38 11.223 -21.580 -3.246 1.00 72.14 H new ATOM 0 HG12 VAL A 38 11.175 -21.076 -4.952 1.00 72.14 H new ATOM 0 HG13 VAL A 38 12.685 -20.925 -4.021 1.00 72.14 H new ATOM 0 HG21 VAL A 38 11.337 -19.891 -1.447 1.00 0.33 H new ATOM 0 HG22 VAL A 38 12.802 -19.166 -2.150 1.00 0.33 H new ATOM 0 HG23 VAL A 38 11.368 -18.156 -1.844 1.00 0.33 H new ATOM 595 N THR A 39 10.061 -18.235 -6.320 1.00 44.35 N ATOM 596 CA THR A 39 9.475 -18.505 -7.627 1.00 63.02 C ATOM 597 C THR A 39 10.402 -18.052 -8.750 1.00 31.23 C ATOM 598 O THR A 39 10.422 -18.645 -9.828 1.00 24.43 O ATOM 599 CB THR A 39 8.113 -17.805 -7.788 1.00 12.45 C ATOM 600 OG1 THR A 39 7.454 -18.279 -8.967 1.00 31.00 O ATOM 601 CG2 THR A 39 8.287 -16.296 -7.870 1.00 14.52 C ATOM 0 H THR A 39 9.514 -17.604 -5.735 1.00 44.35 H new ATOM 0 HA THR A 39 9.331 -19.583 -7.691 1.00 63.02 H new ATOM 0 HB THR A 39 7.504 -18.038 -6.914 1.00 12.45 H new ATOM 0 HG1 THR A 39 6.588 -17.830 -9.061 1.00 31.00 H new ATOM 0 HG21 THR A 39 7.312 -15.823 -7.984 1.00 14.52 H new ATOM 0 HG22 THR A 39 8.762 -15.934 -6.958 1.00 14.52 H new ATOM 0 HG23 THR A 39 8.913 -16.048 -8.727 1.00 14.52 H new ATOM 609 N ALA A 40 11.168 -16.998 -8.489 1.00 62.13 N ATOM 610 CA ALA A 40 12.099 -16.468 -9.477 1.00 43.33 C ATOM 611 C ALA A 40 13.155 -17.503 -9.848 1.00 23.50 C ATOM 612 O ALA A 40 13.409 -17.751 -11.026 1.00 53.05 O ATOM 613 CB ALA A 40 12.760 -15.201 -8.953 1.00 63.43 C ATOM 0 H ALA A 40 11.162 -16.495 -7.602 1.00 62.13 H new ATOM 0 HA ALA A 40 11.535 -16.225 -10.377 1.00 43.33 H new ATOM 0 HB1 ALA A 40 13.453 -14.816 -9.701 1.00 63.43 H new ATOM 0 HB2 ALA A 40 11.996 -14.451 -8.746 1.00 63.43 H new ATOM 0 HB3 ALA A 40 13.305 -15.427 -8.036 1.00 63.43 H new ATOM 619 N ALA A 41 13.769 -18.105 -8.834 1.00 72.21 N ATOM 620 CA ALA A 41 14.797 -19.115 -9.054 1.00 75.10 C ATOM 621 C ALA A 41 14.195 -20.396 -9.622 1.00 71.01 C ATOM 622 O ALA A 41 14.858 -21.134 -10.350 1.00 3.03 O ATOM 623 CB ALA A 41 15.536 -19.407 -7.757 1.00 33.14 C ATOM 0 H ALA A 41 13.572 -17.911 -7.852 1.00 72.21 H new ATOM 0 HA ALA A 41 15.506 -18.723 -9.783 1.00 75.10 H new ATOM 0 HB1 ALA A 41 16.301 -20.163 -7.936 1.00 33.14 H new ATOM 0 HB2 ALA A 41 16.007 -18.494 -7.393 1.00 33.14 H new ATOM 0 HB3 ALA A 41 14.831 -19.774 -7.011 1.00 33.14 H new ATOM 629 N GLU A 42 12.935 -20.653 -9.284 1.00 62.51 N ATOM 630 CA GLU A 42 12.246 -21.847 -9.760 1.00 51.02 C ATOM 631 C GLU A 42 11.752 -21.655 -11.191 1.00 71.43 C ATOM 632 O GLU A 42 11.451 -22.622 -11.891 1.00 61.54 O ATOM 633 CB GLU A 42 11.068 -22.183 -8.843 1.00 41.31 C ATOM 634 CG GLU A 42 11.488 -22.676 -7.469 1.00 22.32 C ATOM 635 CD GLU A 42 10.907 -24.036 -7.134 1.00 74.24 C ATOM 636 OE1 GLU A 42 9.679 -24.122 -6.923 1.00 51.53 O ATOM 637 OE2 GLU A 42 11.680 -25.015 -7.084 1.00 62.53 O ATOM 0 H GLU A 42 12.371 -20.051 -8.683 1.00 62.51 H new ATOM 0 HA GLU A 42 12.955 -22.675 -9.746 1.00 51.02 H new ATOM 0 HB2 GLU A 42 10.445 -21.296 -8.727 1.00 41.31 H new ATOM 0 HB3 GLU A 42 10.452 -22.945 -9.321 1.00 41.31 H new ATOM 0 HG2 GLU A 42 12.576 -22.728 -7.423 1.00 22.32 H new ATOM 0 HG3 GLU A 42 11.171 -21.954 -6.716 1.00 22.32 H new ATOM 644 N LYS A 43 11.670 -20.400 -11.620 1.00 21.34 N ATOM 645 CA LYS A 43 11.214 -20.079 -12.967 1.00 34.24 C ATOM 646 C LYS A 43 12.395 -19.797 -13.889 1.00 4.43 C ATOM 647 O LYS A 43 12.265 -19.844 -15.111 1.00 71.33 O ATOM 648 CB LYS A 43 10.277 -18.869 -12.935 1.00 70.41 C ATOM 649 CG LYS A 43 8.807 -19.240 -12.840 1.00 62.44 C ATOM 650 CD LYS A 43 8.037 -18.252 -11.981 1.00 53.12 C ATOM 651 CE LYS A 43 6.587 -18.677 -11.806 1.00 70.22 C ATOM 652 NZ LYS A 43 5.658 -17.514 -11.851 1.00 43.11 N ATOM 0 H LYS A 43 11.914 -19.588 -11.053 1.00 21.34 H new ATOM 0 HA LYS A 43 10.672 -20.941 -13.355 1.00 34.24 H new ATOM 0 HB2 LYS A 43 10.540 -18.239 -12.085 1.00 70.41 H new ATOM 0 HB3 LYS A 43 10.435 -18.274 -13.834 1.00 70.41 H new ATOM 0 HG2 LYS A 43 8.373 -19.270 -13.839 1.00 62.44 H new ATOM 0 HG3 LYS A 43 8.710 -20.241 -12.420 1.00 62.44 H new ATOM 0 HD2 LYS A 43 8.513 -18.169 -11.004 1.00 53.12 H new ATOM 0 HD3 LYS A 43 8.075 -17.264 -12.439 1.00 53.12 H new ATOM 0 HE2 LYS A 43 6.319 -19.386 -12.590 1.00 70.22 H new ATOM 0 HE3 LYS A 43 6.473 -19.196 -10.854 1.00 70.22 H new ATOM 0 HZ1 LYS A 43 4.680 -17.846 -11.728 1.00 43.11 H new ATOM 0 HZ2 LYS A 43 5.897 -16.849 -11.088 1.00 43.11 H new ATOM 0 HZ3 LYS A 43 5.748 -17.033 -12.769 1.00 43.11 H new ATOM 666 N GLU A 44 13.548 -19.504 -13.294 1.00 13.12 N ATOM 667 CA GLU A 44 14.752 -19.215 -14.063 1.00 50.34 C ATOM 668 C GLU A 44 15.767 -20.347 -13.932 1.00 13.21 C ATOM 669 O GLU A 44 15.496 -21.366 -13.298 1.00 24.13 O ATOM 670 CB GLU A 44 15.377 -17.898 -13.598 1.00 43.12 C ATOM 671 CG GLU A 44 16.249 -18.041 -12.362 1.00 63.42 C ATOM 672 CD GLU A 44 16.388 -16.743 -11.592 1.00 14.32 C ATOM 673 OE1 GLU A 44 17.197 -15.889 -12.010 1.00 43.34 O ATOM 674 OE2 GLU A 44 15.687 -16.580 -10.571 1.00 61.11 O ATOM 0 H GLU A 44 13.673 -19.461 -12.283 1.00 13.12 H new ATOM 0 HA GLU A 44 14.469 -19.124 -15.112 1.00 50.34 H new ATOM 0 HB2 GLU A 44 15.976 -17.484 -14.409 1.00 43.12 H new ATOM 0 HB3 GLU A 44 14.582 -17.182 -13.391 1.00 43.12 H new ATOM 0 HG2 GLU A 44 15.824 -18.803 -11.708 1.00 63.42 H new ATOM 0 HG3 GLU A 44 17.238 -18.391 -12.658 1.00 63.42 H new ATOM 681 N ALA A 45 16.935 -20.159 -14.537 1.00 23.35 N ATOM 682 CA ALA A 45 17.991 -21.163 -14.486 1.00 41.13 C ATOM 683 C ALA A 45 19.259 -20.660 -15.168 1.00 60.54 C ATOM 684 O ALA A 45 19.206 -19.781 -16.028 1.00 0.10 O ATOM 685 CB ALA A 45 17.520 -22.458 -15.132 1.00 12.42 C ATOM 0 H ALA A 45 17.174 -19.321 -15.068 1.00 23.35 H new ATOM 0 HA ALA A 45 18.225 -21.356 -13.439 1.00 41.13 H new ATOM 0 HB1 ALA A 45 18.319 -23.199 -15.087 1.00 12.42 H new ATOM 0 HB2 ALA A 45 16.646 -22.833 -14.599 1.00 12.42 H new ATOM 0 HB3 ALA A 45 17.257 -22.271 -16.173 1.00 12.42 H new ATOM 691 N SER A 46 20.398 -21.224 -14.779 1.00 61.21 N ATOM 692 CA SER A 46 21.681 -20.830 -15.350 1.00 55.22 C ATOM 693 C SER A 46 21.966 -19.356 -15.079 1.00 12.23 C ATOM 694 O SER A 46 22.692 -18.705 -15.830 1.00 21.44 O ATOM 695 CB SER A 46 21.695 -21.095 -16.857 1.00 12.41 C ATOM 696 OG SER A 46 22.996 -21.434 -17.303 1.00 24.03 O ATOM 0 H SER A 46 20.459 -21.955 -14.071 1.00 61.21 H new ATOM 0 HA SER A 46 22.461 -21.426 -14.876 1.00 55.22 H new ATOM 0 HB2 SER A 46 21.004 -21.904 -17.094 1.00 12.41 H new ATOM 0 HB3 SER A 46 21.344 -20.210 -17.388 1.00 12.41 H new ATOM 0 HG SER A 46 22.978 -21.600 -18.269 1.00 24.03 H new ATOM 702 N GLN A 47 21.388 -18.837 -14.000 1.00 41.31 N ATOM 703 CA GLN A 47 21.579 -17.439 -13.629 1.00 63.55 C ATOM 704 C GLN A 47 22.453 -17.321 -12.385 1.00 62.12 C ATOM 705 O GLN A 47 22.277 -18.060 -11.417 1.00 33.44 O ATOM 706 CB GLN A 47 20.228 -16.765 -13.384 1.00 62.53 C ATOM 707 CG GLN A 47 20.231 -15.273 -13.674 1.00 24.11 C ATOM 708 CD GLN A 47 19.954 -14.961 -15.131 1.00 43.22 C ATOM 709 OE1 GLN A 47 20.863 -14.960 -15.962 1.00 5.34 O ATOM 710 NE2 GLN A 47 18.693 -14.694 -15.450 1.00 43.42 N ATOM 0 H GLN A 47 20.784 -19.363 -13.368 1.00 41.31 H new ATOM 0 HA GLN A 47 22.083 -16.936 -14.454 1.00 63.55 H new ATOM 0 HB2 GLN A 47 19.473 -17.246 -14.006 1.00 62.53 H new ATOM 0 HB3 GLN A 47 19.935 -16.924 -12.346 1.00 62.53 H new ATOM 0 HG2 GLN A 47 19.480 -14.785 -13.053 1.00 24.11 H new ATOM 0 HG3 GLN A 47 21.198 -14.854 -13.394 1.00 24.11 H new ATOM 0 HE21 GLN A 47 17.971 -14.706 -14.729 1.00 43.42 H new ATOM 0 HE22 GLN A 47 18.446 -14.477 -16.416 1.00 43.42 H new ATOM 719 N LYS A 48 23.397 -16.386 -12.418 1.00 21.51 N ATOM 720 CA LYS A 48 24.299 -16.170 -11.293 1.00 40.50 C ATOM 721 C LYS A 48 23.562 -15.530 -10.120 1.00 43.15 C ATOM 722 O LYS A 48 23.882 -15.786 -8.959 1.00 40.35 O ATOM 723 CB LYS A 48 25.472 -15.283 -11.717 1.00 0.20 C ATOM 724 CG LYS A 48 26.196 -15.783 -12.955 1.00 52.52 C ATOM 725 CD LYS A 48 27.698 -15.588 -12.839 1.00 64.43 C ATOM 726 CE LYS A 48 28.370 -16.799 -12.209 1.00 72.24 C ATOM 727 NZ LYS A 48 29.058 -17.643 -13.225 1.00 74.15 N ATOM 0 H LYS A 48 23.557 -15.766 -13.212 1.00 21.51 H new ATOM 0 HA LYS A 48 24.681 -17.140 -10.974 1.00 40.50 H new ATOM 0 HB2 LYS A 48 25.105 -14.274 -11.904 1.00 0.20 H new ATOM 0 HB3 LYS A 48 26.182 -15.216 -10.893 1.00 0.20 H new ATOM 0 HG2 LYS A 48 25.976 -16.840 -13.104 1.00 52.52 H new ATOM 0 HG3 LYS A 48 25.826 -15.253 -13.833 1.00 52.52 H new ATOM 0 HD2 LYS A 48 28.120 -15.410 -13.828 1.00 64.43 H new ATOM 0 HD3 LYS A 48 27.906 -14.702 -12.239 1.00 64.43 H new ATOM 0 HE2 LYS A 48 29.093 -16.467 -11.464 1.00 72.24 H new ATOM 0 HE3 LYS A 48 27.624 -17.397 -11.685 1.00 72.24 H new ATOM 0 HZ1 LYS A 48 29.503 -18.457 -12.756 1.00 74.15 H new ATOM 0 HZ2 LYS A 48 28.365 -17.981 -13.922 1.00 74.15 H new ATOM 0 HZ3 LYS A 48 29.787 -17.080 -13.707 1.00 74.15 H new ATOM 741 N VAL A 49 22.573 -14.698 -10.432 1.00 5.34 N ATOM 742 CA VAL A 49 21.790 -14.024 -9.404 1.00 15.34 C ATOM 743 C VAL A 49 20.765 -14.969 -8.786 1.00 3.24 C ATOM 744 O VAL A 49 20.417 -14.842 -7.611 1.00 44.45 O ATOM 745 CB VAL A 49 21.059 -12.793 -9.972 1.00 54.20 C ATOM 746 CG1 VAL A 49 22.047 -11.841 -10.629 1.00 73.34 C ATOM 747 CG2 VAL A 49 19.982 -13.221 -10.958 1.00 31.14 C ATOM 0 H VAL A 49 22.296 -14.475 -11.388 1.00 5.34 H new ATOM 0 HA VAL A 49 22.491 -13.699 -8.635 1.00 15.34 H new ATOM 0 HB VAL A 49 20.577 -12.266 -9.148 1.00 54.20 H new ATOM 0 HG11 VAL A 49 21.512 -10.977 -11.024 1.00 73.34 H new ATOM 0 HG12 VAL A 49 22.778 -11.509 -9.891 1.00 73.34 H new ATOM 0 HG13 VAL A 49 22.560 -12.354 -11.443 1.00 73.34 H new ATOM 0 HG21 VAL A 49 19.476 -12.339 -11.349 1.00 31.14 H new ATOM 0 HG22 VAL A 49 20.439 -13.772 -11.780 1.00 31.14 H new ATOM 0 HG23 VAL A 49 19.258 -13.860 -10.452 1.00 31.14 H new ATOM 757 N ARG A 50 20.286 -15.917 -9.584 1.00 22.22 N ATOM 758 CA ARG A 50 19.301 -16.884 -9.115 1.00 72.14 C ATOM 759 C ARG A 50 19.727 -17.493 -7.783 1.00 65.41 C ATOM 760 O ARG A 50 18.964 -17.498 -6.819 1.00 0.45 O ATOM 761 CB ARG A 50 19.106 -17.990 -10.155 1.00 14.43 C ATOM 762 CG ARG A 50 18.213 -19.123 -9.678 1.00 32.44 C ATOM 763 CD ARG A 50 18.934 -20.461 -9.732 1.00 70.11 C ATOM 764 NE ARG A 50 19.441 -20.863 -8.423 1.00 21.20 N ATOM 765 CZ ARG A 50 19.773 -22.112 -8.116 1.00 24.15 C ATOM 766 NH1 ARG A 50 19.653 -23.075 -9.019 1.00 20.12 N ATOM 767 NH2 ARG A 50 20.228 -22.400 -6.902 1.00 53.54 N ATOM 0 H ARG A 50 20.564 -16.036 -10.558 1.00 22.22 H new ATOM 0 HA ARG A 50 18.356 -16.360 -8.969 1.00 72.14 H new ATOM 0 HB2 ARG A 50 18.677 -17.556 -11.058 1.00 14.43 H new ATOM 0 HB3 ARG A 50 20.080 -18.396 -10.428 1.00 14.43 H new ATOM 0 HG2 ARG A 50 17.887 -18.925 -8.657 1.00 32.44 H new ATOM 0 HG3 ARG A 50 17.317 -19.166 -10.297 1.00 32.44 H new ATOM 0 HD2 ARG A 50 18.253 -21.225 -10.107 1.00 70.11 H new ATOM 0 HD3 ARG A 50 19.762 -20.398 -10.438 1.00 70.11 H new ATOM 0 HE ARG A 50 19.546 -20.146 -7.705 1.00 21.20 H new ATOM 0 HH11 ARG A 50 19.305 -22.858 -9.953 1.00 20.12 H new ATOM 0 HH12 ARG A 50 19.909 -24.033 -8.780 1.00 20.12 H new ATOM 0 HH21 ARG A 50 20.323 -21.662 -6.204 1.00 53.54 H new ATOM 0 HH22 ARG A 50 20.483 -23.359 -6.667 1.00 53.54 H new ATOM 781 N ASN A 51 20.952 -18.007 -7.739 1.00 23.54 N ATOM 782 CA ASN A 51 21.480 -18.620 -6.525 1.00 63.52 C ATOM 783 C ASN A 51 21.461 -17.632 -5.363 1.00 53.24 C ATOM 784 O ASN A 51 21.372 -18.026 -4.200 1.00 15.12 O ATOM 785 CB ASN A 51 22.907 -19.120 -6.761 1.00 3.24 C ATOM 786 CG ASN A 51 23.388 -20.039 -5.654 1.00 71.35 C ATOM 787 OD1 ASN A 51 22.803 -21.095 -5.412 1.00 21.12 O ATOM 788 ND2 ASN A 51 24.458 -19.641 -4.977 1.00 45.24 N ATOM 0 H ASN A 51 21.597 -18.011 -8.529 1.00 23.54 H new ATOM 0 HA ASN A 51 20.843 -19.466 -6.269 1.00 63.52 H new ATOM 0 HB2 ASN A 51 22.951 -19.649 -7.713 1.00 3.24 H new ATOM 0 HB3 ASN A 51 23.580 -18.266 -6.839 1.00 3.24 H new ATOM 0 HD21 ASN A 51 24.827 -20.218 -4.222 1.00 45.24 H new ATOM 0 HD22 ASN A 51 24.911 -18.758 -5.212 1.00 45.24 H new ATOM 795 N LEU A 52 21.544 -16.346 -5.687 1.00 30.03 N ATOM 796 CA LEU A 52 21.535 -15.299 -4.670 1.00 61.54 C ATOM 797 C LEU A 52 20.118 -15.041 -4.167 1.00 65.12 C ATOM 798 O LEU A 52 19.910 -14.754 -2.988 1.00 12.23 O ATOM 799 CB LEU A 52 22.132 -14.009 -5.234 1.00 53.31 C ATOM 800 CG LEU A 52 22.719 -13.037 -4.210 1.00 23.53 C ATOM 801 CD1 LEU A 52 23.843 -13.701 -3.428 1.00 52.14 C ATOM 802 CD2 LEU A 52 23.218 -11.775 -4.897 1.00 5.10 C ATOM 0 H LEU A 52 21.618 -16.003 -6.645 1.00 30.03 H new ATOM 0 HA LEU A 52 22.143 -15.636 -3.830 1.00 61.54 H new ATOM 0 HB2 LEU A 52 22.916 -14.275 -5.943 1.00 53.31 H new ATOM 0 HB3 LEU A 52 21.356 -13.489 -5.796 1.00 53.31 H new ATOM 0 HG LEU A 52 21.932 -12.758 -3.510 1.00 23.53 H new ATOM 0 HD11 LEU A 52 24.249 -12.995 -2.704 1.00 52.14 H new ATOM 0 HD12 LEU A 52 23.455 -14.575 -2.904 1.00 52.14 H new ATOM 0 HD13 LEU A 52 24.631 -14.010 -4.115 1.00 52.14 H new ATOM 0 HD21 LEU A 52 23.632 -11.095 -4.153 1.00 5.10 H new ATOM 0 HD22 LEU A 52 23.991 -12.036 -5.620 1.00 5.10 H new ATOM 0 HD23 LEU A 52 22.389 -11.289 -5.411 1.00 5.10 H new ATOM 814 N LEU A 53 19.148 -15.147 -5.068 1.00 51.10 N ATOM 815 CA LEU A 53 17.750 -14.927 -4.715 1.00 75.05 C ATOM 816 C LEU A 53 17.331 -15.830 -3.560 1.00 11.04 C ATOM 817 O LEU A 53 16.733 -15.372 -2.585 1.00 4.13 O ATOM 818 CB LEU A 53 16.851 -15.181 -5.927 1.00 65.34 C ATOM 819 CG LEU A 53 16.593 -13.979 -6.836 1.00 2.44 C ATOM 820 CD1 LEU A 53 16.186 -12.766 -6.013 1.00 22.12 C ATOM 821 CD2 LEU A 53 17.825 -13.668 -7.673 1.00 25.22 C ATOM 0 H LEU A 53 19.304 -15.384 -6.048 1.00 51.10 H new ATOM 0 HA LEU A 53 17.640 -13.889 -4.399 1.00 75.05 H new ATOM 0 HB2 LEU A 53 17.298 -15.974 -6.526 1.00 65.34 H new ATOM 0 HB3 LEU A 53 15.891 -15.554 -5.570 1.00 65.34 H new ATOM 0 HG LEU A 53 15.774 -14.227 -7.511 1.00 2.44 H new ATOM 0 HD11 LEU A 53 16.006 -11.920 -6.676 1.00 22.12 H new ATOM 0 HD12 LEU A 53 15.275 -12.992 -5.458 1.00 22.12 H new ATOM 0 HD13 LEU A 53 16.984 -12.516 -5.314 1.00 22.12 H new ATOM 0 HD21 LEU A 53 17.622 -12.810 -8.314 1.00 25.22 H new ATOM 0 HD22 LEU A 53 18.664 -13.440 -7.015 1.00 25.22 H new ATOM 0 HD23 LEU A 53 18.073 -14.531 -8.291 1.00 25.22 H new ATOM 833 N LEU A 54 17.650 -17.114 -3.674 1.00 31.43 N ATOM 834 CA LEU A 54 17.309 -18.082 -2.637 1.00 21.51 C ATOM 835 C LEU A 54 18.184 -17.889 -1.403 1.00 22.24 C ATOM 836 O LEU A 54 17.682 -17.781 -0.283 1.00 42.34 O ATOM 837 CB LEU A 54 17.467 -19.507 -3.170 1.00 62.42 C ATOM 838 CG LEU A 54 16.660 -19.848 -4.423 1.00 62.54 C ATOM 839 CD1 LEU A 54 17.276 -21.035 -5.148 1.00 73.40 C ATOM 840 CD2 LEU A 54 15.210 -20.135 -4.062 1.00 60.23 C ATOM 0 H LEU A 54 18.144 -17.509 -4.474 1.00 31.43 H new ATOM 0 HA LEU A 54 16.270 -17.920 -2.352 1.00 21.51 H new ATOM 0 HB2 LEU A 54 18.522 -19.679 -3.384 1.00 62.42 H new ATOM 0 HB3 LEU A 54 17.185 -20.203 -2.380 1.00 62.42 H new ATOM 0 HG LEU A 54 16.683 -18.988 -5.092 1.00 62.54 H new ATOM 0 HD11 LEU A 54 16.688 -21.263 -6.037 1.00 73.40 H new ATOM 0 HD12 LEU A 54 18.298 -20.792 -5.441 1.00 73.40 H new ATOM 0 HD13 LEU A 54 17.284 -21.901 -4.486 1.00 73.40 H new ATOM 0 HD21 LEU A 54 14.651 -20.376 -4.966 1.00 60.23 H new ATOM 0 HD22 LEU A 54 15.167 -20.979 -3.373 1.00 60.23 H new ATOM 0 HD23 LEU A 54 14.772 -19.257 -3.588 1.00 60.23 H new ATOM 852 N HIS A 55 19.496 -17.845 -1.614 1.00 52.05 N ATOM 853 CA HIS A 55 20.441 -17.662 -0.519 1.00 43.41 C ATOM 854 C HIS A 55 20.062 -16.452 0.329 1.00 12.34 C ATOM 855 O HIS A 55 20.097 -16.507 1.559 1.00 54.41 O ATOM 856 CB HIS A 55 21.860 -17.492 -1.065 1.00 14.14 C ATOM 857 CG HIS A 55 22.928 -17.815 -0.066 1.00 60.31 C ATOM 858 ND1 HIS A 55 23.578 -16.854 0.678 1.00 4.13 N ATOM 859 CD2 HIS A 55 23.458 -19.003 0.310 1.00 11.33 C ATOM 860 CE1 HIS A 55 24.463 -17.436 1.468 1.00 3.30 C ATOM 861 NE2 HIS A 55 24.410 -18.740 1.264 1.00 13.44 N ATOM 0 H HIS A 55 19.928 -17.934 -2.534 1.00 52.05 H new ATOM 0 HA HIS A 55 20.406 -18.551 0.111 1.00 43.41 H new ATOM 0 HB2 HIS A 55 21.984 -18.133 -1.938 1.00 14.14 H new ATOM 0 HB3 HIS A 55 21.990 -16.464 -1.404 1.00 14.14 H new ATOM 0 HD2 HIS A 55 23.183 -19.976 -0.070 1.00 11.33 H new ATOM 0 HE1 HIS A 55 25.118 -16.931 2.162 1.00 3.30 H new ATOM 0 HE2 HIS A 55 24.983 -19.438 1.738 1.00 13.44 H new ATOM 869 N LYS A 56 19.700 -15.359 -0.335 1.00 22.31 N ATOM 870 CA LYS A 56 19.313 -14.135 0.357 1.00 65.40 C ATOM 871 C LYS A 56 17.924 -14.274 0.972 1.00 44.31 C ATOM 872 O LYS A 56 17.631 -13.677 2.007 1.00 51.43 O ATOM 873 CB LYS A 56 19.339 -12.949 -0.609 1.00 63.04 C ATOM 874 CG LYS A 56 20.741 -12.511 -0.998 1.00 31.32 C ATOM 875 CD LYS A 56 21.396 -11.697 0.105 1.00 44.33 C ATOM 876 CE LYS A 56 22.913 -11.742 0.004 1.00 4.15 C ATOM 877 NZ LYS A 56 23.542 -10.505 0.546 1.00 21.43 N ATOM 0 H LYS A 56 19.667 -15.296 -1.353 1.00 22.31 H new ATOM 0 HA LYS A 56 20.030 -13.958 1.159 1.00 65.40 H new ATOM 0 HB2 LYS A 56 18.787 -13.214 -1.511 1.00 63.04 H new ATOM 0 HB3 LYS A 56 18.818 -12.108 -0.152 1.00 63.04 H new ATOM 0 HG2 LYS A 56 21.350 -13.388 -1.215 1.00 31.32 H new ATOM 0 HG3 LYS A 56 20.698 -11.919 -1.912 1.00 31.32 H new ATOM 0 HD2 LYS A 56 21.057 -10.663 0.046 1.00 44.33 H new ATOM 0 HD3 LYS A 56 21.083 -12.080 1.076 1.00 44.33 H new ATOM 0 HE2 LYS A 56 23.288 -12.609 0.549 1.00 4.15 H new ATOM 0 HE3 LYS A 56 23.204 -11.871 -1.039 1.00 4.15 H new ATOM 0 HZ1 LYS A 56 24.576 -10.575 0.459 1.00 21.43 H new ATOM 0 HZ2 LYS A 56 23.204 -9.680 0.010 1.00 21.43 H new ATOM 0 HZ3 LYS A 56 23.285 -10.395 1.548 1.00 21.43 H new ATOM 891 N GLY A 57 17.073 -15.067 0.328 1.00 41.40 N ATOM 892 CA GLY A 57 15.726 -15.270 0.827 1.00 12.35 C ATOM 893 C GLY A 57 15.702 -16.036 2.135 1.00 13.32 C ATOM 894 O GLY A 57 15.097 -15.593 3.112 1.00 1.02 O ATOM 0 H GLY A 57 17.293 -15.572 -0.530 1.00 41.40 H new ATOM 0 HA2 GLY A 57 15.244 -14.302 0.967 1.00 12.35 H new ATOM 0 HA3 GLY A 57 15.143 -15.811 0.082 1.00 12.35 H new ATOM 898 N LYS A 58 16.360 -17.190 2.155 1.00 15.02 N ATOM 899 CA LYS A 58 16.412 -18.021 3.352 1.00 14.12 C ATOM 900 C LYS A 58 17.139 -17.301 4.483 1.00 13.32 C ATOM 901 O LYS A 58 16.977 -17.644 5.654 1.00 44.12 O ATOM 902 CB LYS A 58 17.110 -19.348 3.047 1.00 74.24 C ATOM 903 CG LYS A 58 18.496 -19.183 2.449 1.00 3.25 C ATOM 904 CD LYS A 58 19.544 -18.960 3.527 1.00 44.42 C ATOM 905 CE LYS A 58 20.572 -20.081 3.545 1.00 4.50 C ATOM 906 NZ LYS A 58 21.678 -19.804 4.504 1.00 52.23 N ATOM 0 H LYS A 58 16.865 -17.571 1.355 1.00 15.02 H new ATOM 0 HA LYS A 58 15.389 -18.220 3.670 1.00 14.12 H new ATOM 0 HB2 LYS A 58 17.187 -19.928 3.967 1.00 74.24 H new ATOM 0 HB3 LYS A 58 16.492 -19.924 2.358 1.00 74.24 H new ATOM 0 HG2 LYS A 58 18.751 -20.070 1.869 1.00 3.25 H new ATOM 0 HG3 LYS A 58 18.498 -18.340 1.758 1.00 3.25 H new ATOM 0 HD2 LYS A 58 20.046 -18.007 3.357 1.00 44.42 H new ATOM 0 HD3 LYS A 58 19.058 -18.895 4.501 1.00 44.42 H new ATOM 0 HE2 LYS A 58 20.084 -21.017 3.815 1.00 4.50 H new ATOM 0 HE3 LYS A 58 20.983 -20.213 2.544 1.00 4.50 H new ATOM 0 HZ1 LYS A 58 22.358 -20.591 4.487 1.00 52.23 H new ATOM 0 HZ2 LYS A 58 22.161 -18.924 4.232 1.00 52.23 H new ATOM 0 HZ3 LYS A 58 21.289 -19.704 5.463 1.00 52.23 H new ATOM 920 N GLU A 59 17.938 -16.300 4.125 1.00 73.51 N ATOM 921 CA GLU A 59 18.688 -15.532 5.111 1.00 22.32 C ATOM 922 C GLU A 59 17.790 -14.512 5.804 1.00 11.14 C ATOM 923 O GLU A 59 17.616 -14.548 7.023 1.00 55.25 O ATOM 924 CB GLU A 59 19.868 -14.821 4.446 1.00 41.42 C ATOM 925 CG GLU A 59 21.194 -15.541 4.627 1.00 52.43 C ATOM 926 CD GLU A 59 21.770 -15.362 6.018 1.00 52.41 C ATOM 927 OE1 GLU A 59 21.144 -15.842 6.986 1.00 2.40 O ATOM 928 OE2 GLU A 59 22.847 -14.741 6.138 1.00 62.41 O ATOM 0 H GLU A 59 18.082 -16.003 3.160 1.00 73.51 H new ATOM 0 HA GLU A 59 19.067 -16.225 5.862 1.00 22.32 H new ATOM 0 HB2 GLU A 59 19.664 -14.716 3.380 1.00 41.42 H new ATOM 0 HB3 GLU A 59 19.952 -13.814 4.855 1.00 41.42 H new ATOM 0 HG2 GLU A 59 21.056 -16.604 4.429 1.00 52.43 H new ATOM 0 HG3 GLU A 59 21.908 -15.170 3.892 1.00 52.43 H new ATOM 935 N VAL A 60 17.222 -13.602 5.019 1.00 3.11 N ATOM 936 CA VAL A 60 16.342 -12.571 5.556 1.00 75.41 C ATOM 937 C VAL A 60 15.266 -13.179 6.449 1.00 11.45 C ATOM 938 O VAL A 60 14.803 -12.547 7.400 1.00 5.43 O ATOM 939 CB VAL A 60 15.664 -11.769 4.429 1.00 44.01 C ATOM 940 CG1 VAL A 60 16.695 -10.964 3.653 1.00 44.41 C ATOM 941 CG2 VAL A 60 14.894 -12.698 3.503 1.00 42.13 C ATOM 0 H VAL A 60 17.356 -13.558 4.009 1.00 3.11 H new ATOM 0 HA VAL A 60 16.965 -11.899 6.147 1.00 75.41 H new ATOM 0 HB VAL A 60 14.956 -11.072 4.877 1.00 44.01 H new ATOM 0 HG11 VAL A 60 16.198 -10.404 2.861 1.00 44.41 H new ATOM 0 HG12 VAL A 60 17.198 -10.271 4.327 1.00 44.41 H new ATOM 0 HG13 VAL A 60 17.429 -11.640 3.214 1.00 44.41 H new ATOM 0 HG21 VAL A 60 14.421 -12.114 2.713 1.00 42.13 H new ATOM 0 HG22 VAL A 60 15.580 -13.420 3.060 1.00 42.13 H new ATOM 0 HG23 VAL A 60 14.128 -13.226 4.072 1.00 42.13 H new ATOM 951 N LEU A 61 14.872 -14.408 6.139 1.00 75.43 N ATOM 952 CA LEU A 61 13.850 -15.103 6.914 1.00 34.12 C ATOM 953 C LEU A 61 14.357 -15.429 8.315 1.00 21.51 C ATOM 954 O LEU A 61 13.726 -15.078 9.311 1.00 1.12 O ATOM 955 CB LEU A 61 13.426 -16.388 6.201 1.00 74.03 C ATOM 956 CG LEU A 61 12.087 -16.336 5.463 1.00 45.33 C ATOM 957 CD1 LEU A 61 12.222 -15.548 4.169 1.00 12.51 C ATOM 958 CD2 LEU A 61 11.578 -17.742 5.182 1.00 12.11 C ATOM 0 H LEU A 61 15.245 -14.945 5.356 1.00 75.43 H new ATOM 0 HA LEU A 61 12.987 -14.443 7.004 1.00 34.12 H new ATOM 0 HB2 LEU A 61 14.203 -16.655 5.485 1.00 74.03 H new ATOM 0 HB3 LEU A 61 13.381 -17.191 6.937 1.00 74.03 H new ATOM 0 HG LEU A 61 11.362 -15.829 6.100 1.00 45.33 H new ATOM 0 HD11 LEU A 61 11.260 -15.521 3.657 1.00 12.51 H new ATOM 0 HD12 LEU A 61 12.542 -14.531 4.394 1.00 12.51 H new ATOM 0 HD13 LEU A 61 12.961 -16.027 3.527 1.00 12.51 H new ATOM 0 HD21 LEU A 61 10.625 -17.686 4.657 1.00 12.11 H new ATOM 0 HD22 LEU A 61 12.302 -18.274 4.565 1.00 12.11 H new ATOM 0 HD23 LEU A 61 11.443 -18.275 6.123 1.00 12.11 H new ATOM 970 N GLU A 62 15.502 -16.102 8.383 1.00 51.05 N ATOM 971 CA GLU A 62 16.094 -16.474 9.662 1.00 43.00 C ATOM 972 C GLU A 62 16.582 -15.240 10.415 1.00 44.31 C ATOM 973 O GLU A 62 16.598 -15.217 11.646 1.00 44.44 O ATOM 974 CB GLU A 62 17.256 -17.447 9.448 1.00 52.32 C ATOM 975 CG GLU A 62 16.861 -18.907 9.590 1.00 71.01 C ATOM 976 CD GLU A 62 17.790 -19.676 10.509 1.00 1.11 C ATOM 977 OE1 GLU A 62 18.943 -19.936 10.106 1.00 10.30 O ATOM 978 OE2 GLU A 62 17.364 -20.018 11.632 1.00 14.51 O ATOM 0 H GLU A 62 16.037 -16.400 7.568 1.00 51.05 H new ATOM 0 HA GLU A 62 15.325 -16.963 10.260 1.00 43.00 H new ATOM 0 HB2 GLU A 62 17.674 -17.287 8.454 1.00 52.32 H new ATOM 0 HB3 GLU A 62 18.045 -17.221 10.166 1.00 52.32 H new ATOM 0 HG2 GLU A 62 15.843 -18.968 9.975 1.00 71.01 H new ATOM 0 HG3 GLU A 62 16.859 -19.376 8.606 1.00 71.01 H new ATOM 985 N TRP A 63 16.980 -14.217 9.667 1.00 52.21 N ATOM 986 CA TRP A 63 17.469 -12.979 10.263 1.00 2.11 C ATOM 987 C TRP A 63 16.319 -12.159 10.838 1.00 71.44 C ATOM 988 O TRP A 63 16.401 -11.659 11.959 1.00 74.30 O ATOM 989 CB TRP A 63 18.230 -12.154 9.224 1.00 61.13 C ATOM 990 CG TRP A 63 19.714 -12.360 9.273 1.00 51.24 C ATOM 991 CD1 TRP A 63 20.371 -13.526 9.543 1.00 62.15 C ATOM 992 CD2 TRP A 63 20.724 -11.371 9.047 1.00 0.53 C ATOM 993 NE1 TRP A 63 21.729 -13.321 9.499 1.00 62.44 N ATOM 994 CE2 TRP A 63 21.972 -12.008 9.196 1.00 55.32 C ATOM 995 CE3 TRP A 63 20.696 -10.009 8.732 1.00 23.44 C ATOM 996 CZ2 TRP A 63 23.177 -11.328 9.041 1.00 20.43 C ATOM 997 CZ3 TRP A 63 21.894 -9.337 8.580 1.00 54.53 C ATOM 998 CH2 TRP A 63 23.120 -9.996 8.733 1.00 22.33 C ATOM 0 H TRP A 63 16.974 -14.220 8.647 1.00 52.21 H new ATOM 0 HA TRP A 63 18.146 -13.240 11.076 1.00 2.11 H new ATOM 0 HB2 TRP A 63 17.867 -12.412 8.229 1.00 61.13 H new ATOM 0 HB3 TRP A 63 18.012 -11.097 9.379 1.00 61.13 H new ATOM 0 HD1 TRP A 63 19.894 -14.470 9.759 1.00 62.15 H new ATOM 0 HE1 TRP A 63 22.441 -14.032 9.665 1.00 62.44 H new ATOM 0 HE3 TRP A 63 19.756 -9.492 8.610 1.00 23.44 H new ATOM 0 HZ2 TRP A 63 24.124 -11.834 9.160 1.00 20.43 H new ATOM 0 HZ3 TRP A 63 21.884 -8.284 8.339 1.00 54.53 H new ATOM 0 HH2 TRP A 63 24.038 -9.442 8.605 1.00 22.33 H new ATOM 1009 N ALA A 64 15.248 -12.026 10.062 1.00 31.11 N ATOM 1010 CA ALA A 64 14.080 -11.269 10.496 1.00 43.13 C ATOM 1011 C ALA A 64 13.550 -11.792 11.826 1.00 10.14 C ATOM 1012 O ALA A 64 13.007 -11.034 12.629 1.00 53.31 O ATOM 1013 CB ALA A 64 12.992 -11.323 9.434 1.00 40.13 C ATOM 0 H ALA A 64 15.165 -12.432 9.130 1.00 31.11 H new ATOM 0 HA ALA A 64 14.382 -10.232 10.638 1.00 43.13 H new ATOM 0 HB1 ALA A 64 12.126 -10.754 9.771 1.00 40.13 H new ATOM 0 HB2 ALA A 64 13.369 -10.895 8.505 1.00 40.13 H new ATOM 0 HB3 ALA A 64 12.701 -12.360 9.264 1.00 40.13 H new ATOM 1019 N GLU A 65 13.711 -13.092 12.053 1.00 40.04 N ATOM 1020 CA GLU A 65 13.246 -13.715 13.286 1.00 23.32 C ATOM 1021 C GLU A 65 14.182 -13.389 14.447 1.00 54.42 C ATOM 1022 O GLU A 65 13.787 -13.447 15.612 1.00 42.30 O ATOM 1023 CB GLU A 65 13.144 -15.232 13.110 1.00 2.14 C ATOM 1024 CG GLU A 65 12.078 -15.659 12.116 1.00 51.02 C ATOM 1025 CD GLU A 65 11.137 -16.704 12.683 1.00 74.15 C ATOM 1026 OE1 GLU A 65 11.619 -17.618 13.384 1.00 11.23 O ATOM 1027 OE2 GLU A 65 9.919 -16.609 12.424 1.00 13.25 O ATOM 0 H GLU A 65 14.160 -13.734 11.399 1.00 40.04 H new ATOM 0 HA GLU A 65 12.258 -13.315 13.515 1.00 23.32 H new ATOM 0 HB2 GLU A 65 14.110 -15.617 12.782 1.00 2.14 H new ATOM 0 HB3 GLU A 65 12.931 -15.688 14.077 1.00 2.14 H new ATOM 0 HG2 GLU A 65 11.503 -14.786 11.809 1.00 51.02 H new ATOM 0 HG3 GLU A 65 12.558 -16.055 11.221 1.00 51.02 H new ATOM 1034 N HIS A 66 15.423 -13.045 14.120 1.00 65.43 N ATOM 1035 CA HIS A 66 16.416 -12.709 15.134 1.00 21.23 C ATOM 1036 C HIS A 66 16.063 -11.395 15.825 1.00 22.42 C ATOM 1037 O HIS A 66 15.968 -11.333 17.052 1.00 45.23 O ATOM 1038 CB HIS A 66 17.806 -12.611 14.505 1.00 1.31 C ATOM 1039 CG HIS A 66 18.796 -13.573 15.086 1.00 71.23 C ATOM 1040 ND1 HIS A 66 19.033 -13.683 16.440 1.00 65.34 N ATOM 1041 CD2 HIS A 66 19.610 -14.474 14.488 1.00 71.41 C ATOM 1042 CE1 HIS A 66 19.952 -14.609 16.649 1.00 21.32 C ATOM 1043 NE2 HIS A 66 20.318 -15.105 15.481 1.00 21.20 N ATOM 0 H HIS A 66 15.765 -12.992 13.161 1.00 65.43 H new ATOM 0 HA HIS A 66 16.419 -13.503 15.881 1.00 21.23 H new ATOM 0 HB2 HIS A 66 17.724 -12.790 13.433 1.00 1.31 H new ATOM 0 HB3 HIS A 66 18.182 -11.596 14.631 1.00 1.31 H new ATOM 0 HD2 HIS A 66 19.688 -14.662 13.427 1.00 71.41 H new ATOM 0 HE1 HIS A 66 20.338 -14.909 17.612 1.00 21.32 H new ATOM 0 HE2 HIS A 66 21.013 -15.838 15.340 1.00 21.20 H new ATOM 1051 N LEU A 67 15.871 -10.348 15.031 1.00 74.10 N ATOM 1052 CA LEU A 67 15.529 -9.035 15.566 1.00 12.31 C ATOM 1053 C LEU A 67 14.111 -9.028 16.128 1.00 54.35 C ATOM 1054 O LEU A 67 13.817 -8.320 17.091 1.00 42.05 O ATOM 1055 CB LEU A 67 15.664 -7.968 14.478 1.00 21.01 C ATOM 1056 CG LEU A 67 14.520 -7.892 13.467 1.00 53.22 C ATOM 1057 CD1 LEU A 67 13.491 -6.859 13.901 1.00 24.13 C ATOM 1058 CD2 LEU A 67 15.054 -7.564 12.080 1.00 23.32 C ATOM 0 H LEU A 67 15.946 -10.383 14.014 1.00 74.10 H new ATOM 0 HA LEU A 67 16.222 -8.809 16.376 1.00 12.31 H new ATOM 0 HB2 LEU A 67 15.761 -6.996 14.961 1.00 21.01 H new ATOM 0 HB3 LEU A 67 16.591 -8.147 13.934 1.00 21.01 H new ATOM 0 HG LEU A 67 14.032 -8.866 13.426 1.00 53.22 H new ATOM 0 HD11 LEU A 67 12.684 -6.819 13.169 1.00 24.13 H new ATOM 0 HD12 LEU A 67 13.085 -7.136 14.874 1.00 24.13 H new ATOM 0 HD13 LEU A 67 13.965 -5.880 13.972 1.00 24.13 H new ATOM 0 HD21 LEU A 67 14.225 -7.514 11.374 1.00 23.32 H new ATOM 0 HD22 LEU A 67 15.567 -6.603 12.106 1.00 23.32 H new ATOM 0 HD23 LEU A 67 15.752 -8.340 11.766 1.00 23.32 H new ATOM 1070 N ALA A 68 13.235 -9.822 15.520 1.00 42.11 N ATOM 1071 CA ALA A 68 11.849 -9.910 15.962 1.00 60.43 C ATOM 1072 C ALA A 68 11.757 -10.489 17.370 1.00 64.24 C ATOM 1073 O ALA A 68 10.895 -10.098 18.156 1.00 62.44 O ATOM 1074 CB ALA A 68 11.038 -10.753 14.989 1.00 73.12 C ATOM 0 H ALA A 68 13.461 -10.413 14.720 1.00 42.11 H new ATOM 0 HA ALA A 68 11.436 -8.902 15.985 1.00 60.43 H new ATOM 0 HB1 ALA A 68 10.005 -10.811 15.331 1.00 73.12 H new ATOM 0 HB2 ALA A 68 11.068 -10.296 14.000 1.00 73.12 H new ATOM 0 HB3 ALA A 68 11.460 -11.757 14.938 1.00 73.12 H new ATOM 1080 N GLU A 69 12.652 -11.423 17.680 1.00 14.31 N ATOM 1081 CA GLU A 69 12.669 -12.056 18.994 1.00 42.25 C ATOM 1082 C GLU A 69 13.378 -11.171 20.015 1.00 40.43 C ATOM 1083 O GLU A 69 13.170 -11.307 21.220 1.00 13.33 O ATOM 1084 CB GLU A 69 13.359 -13.419 18.918 1.00 64.32 C ATOM 1085 CG GLU A 69 12.508 -14.497 18.267 1.00 3.05 C ATOM 1086 CD GLU A 69 11.905 -15.453 19.278 1.00 23.21 C ATOM 1087 OE1 GLU A 69 12.671 -16.043 20.068 1.00 64.41 O ATOM 1088 OE2 GLU A 69 10.666 -15.611 19.279 1.00 43.31 O ATOM 0 H GLU A 69 13.373 -11.757 17.041 1.00 14.31 H new ATOM 0 HA GLU A 69 11.637 -12.196 19.315 1.00 42.25 H new ATOM 0 HB2 GLU A 69 14.289 -13.315 18.359 1.00 64.32 H new ATOM 0 HB3 GLU A 69 13.626 -13.738 19.925 1.00 64.32 H new ATOM 0 HG2 GLU A 69 11.708 -14.027 17.695 1.00 3.05 H new ATOM 0 HG3 GLU A 69 13.118 -15.059 17.560 1.00 3.05 H new ATOM 1095 N TRP A 70 14.216 -10.265 19.523 1.00 30.30 N ATOM 1096 CA TRP A 70 14.957 -9.358 20.392 1.00 14.12 C ATOM 1097 C TRP A 70 14.049 -8.772 21.468 1.00 34.40 C ATOM 1098 O TRP A 70 14.471 -8.569 22.607 1.00 65.44 O ATOM 1099 CB TRP A 70 15.586 -8.232 19.570 1.00 2.15 C ATOM 1100 CG TRP A 70 16.942 -7.824 20.062 1.00 30.14 C ATOM 1101 CD1 TRP A 70 17.244 -6.729 20.820 1.00 15.50 C ATOM 1102 CD2 TRP A 70 18.179 -8.506 19.829 1.00 1.11 C ATOM 1103 NE1 TRP A 70 18.594 -6.688 21.072 1.00 72.24 N ATOM 1104 CE2 TRP A 70 19.190 -7.768 20.475 1.00 11.25 C ATOM 1105 CE3 TRP A 70 18.531 -9.669 19.139 1.00 2.10 C ATOM 1106 CZ2 TRP A 70 20.527 -8.156 20.450 1.00 52.14 C ATOM 1107 CZ3 TRP A 70 19.858 -10.053 19.114 1.00 45.41 C ATOM 1108 CH2 TRP A 70 20.843 -9.299 19.766 1.00 0.44 C ATOM 0 H TRP A 70 14.399 -10.139 18.527 1.00 30.30 H new ATOM 0 HA TRP A 70 15.748 -9.927 20.881 1.00 14.12 H new ATOM 0 HB2 TRP A 70 15.665 -8.551 18.531 1.00 2.15 H new ATOM 0 HB3 TRP A 70 14.925 -7.366 19.588 1.00 2.15 H new ATOM 0 HD1 TRP A 70 16.527 -6.002 21.170 1.00 15.50 H new ATOM 0 HE1 TRP A 70 19.074 -5.971 21.615 1.00 72.24 H new ATOM 0 HE3 TRP A 70 17.779 -10.257 18.634 1.00 2.10 H new ATOM 0 HZ2 TRP A 70 21.287 -7.576 20.952 1.00 52.14 H new ATOM 0 HZ3 TRP A 70 20.141 -10.950 18.583 1.00 45.41 H new ATOM 0 HH2 TRP A 70 21.872 -9.626 19.728 1.00 0.44 H new ATOM 1119 N ILE A 71 12.800 -8.503 21.101 1.00 64.34 N ATOM 1120 CA ILE A 71 11.833 -7.942 22.036 1.00 64.22 C ATOM 1121 C ILE A 71 11.789 -8.748 23.330 1.00 53.03 C ATOM 1122 O ILE A 71 11.771 -8.184 24.425 1.00 74.32 O ATOM 1123 CB ILE A 71 10.421 -7.895 21.424 1.00 34.44 C ATOM 1124 CG1 ILE A 71 10.013 -9.282 20.922 1.00 54.22 C ATOM 1125 CG2 ILE A 71 10.366 -6.879 20.294 1.00 43.03 C ATOM 1126 CD1 ILE A 71 8.767 -9.271 20.063 1.00 2.12 C ATOM 0 H ILE A 71 12.434 -8.665 20.163 1.00 64.34 H new ATOM 0 HA ILE A 71 12.158 -6.925 22.256 1.00 64.22 H new ATOM 0 HB ILE A 71 9.716 -7.587 22.197 1.00 34.44 H new ATOM 0 HG12 ILE A 71 10.836 -9.709 20.349 1.00 54.22 H new ATOM 0 HG13 ILE A 71 9.848 -9.936 21.779 1.00 54.22 H new ATOM 0 HG21 ILE A 71 9.361 -6.858 19.872 1.00 43.03 H new ATOM 0 HG22 ILE A 71 10.618 -5.891 20.680 1.00 43.03 H new ATOM 0 HG23 ILE A 71 11.079 -7.158 19.519 1.00 43.03 H new ATOM 0 HD11 ILE A 71 8.537 -10.287 19.743 1.00 2.12 H new ATOM 0 HD12 ILE A 71 7.931 -8.874 20.639 1.00 2.12 H new ATOM 0 HD13 ILE A 71 8.934 -8.644 19.187 1.00 2.12 H new ATOM 1138 N LEU A 72 11.773 -10.070 23.197 1.00 51.43 N ATOM 1139 CA LEU A 72 11.733 -10.955 24.356 1.00 54.33 C ATOM 1140 C LEU A 72 13.078 -10.973 25.074 1.00 61.11 C ATOM 1141 O LEU A 72 13.136 -10.968 26.303 1.00 11.40 O ATOM 1142 CB LEU A 72 11.351 -12.373 23.926 1.00 4.42 C ATOM 1143 CG LEU A 72 10.092 -12.498 23.068 1.00 30.22 C ATOM 1144 CD1 LEU A 72 10.425 -13.114 21.718 1.00 21.33 C ATOM 1145 CD2 LEU A 72 9.037 -13.325 23.788 1.00 75.00 C ATOM 0 H LEU A 72 11.787 -10.552 22.298 1.00 51.43 H new ATOM 0 HA LEU A 72 10.979 -10.576 25.046 1.00 54.33 H new ATOM 0 HB2 LEU A 72 12.187 -12.801 23.373 1.00 4.42 H new ATOM 0 HB3 LEU A 72 11.218 -12.979 24.822 1.00 4.42 H new ATOM 0 HG LEU A 72 9.690 -11.499 22.899 1.00 30.22 H new ATOM 0 HD11 LEU A 72 9.517 -13.195 21.121 1.00 21.33 H new ATOM 0 HD12 LEU A 72 11.146 -12.483 21.198 1.00 21.33 H new ATOM 0 HD13 LEU A 72 10.852 -14.106 21.866 1.00 21.33 H new ATOM 0 HD21 LEU A 72 8.147 -13.404 23.163 1.00 75.00 H new ATOM 0 HD22 LEU A 72 9.430 -14.322 23.987 1.00 75.00 H new ATOM 0 HD23 LEU A 72 8.777 -12.842 24.730 1.00 75.00 H new ATOM 1157 N GLU A 73 14.157 -10.993 24.298 1.00 43.12 N ATOM 1158 CA GLU A 73 15.502 -11.010 24.861 1.00 21.51 C ATOM 1159 C GLU A 73 15.693 -9.863 25.849 1.00 22.41 C ATOM 1160 O GLU A 73 16.463 -9.973 26.804 1.00 62.21 O ATOM 1161 CB GLU A 73 16.547 -10.918 23.747 1.00 11.10 C ATOM 1162 CG GLU A 73 17.929 -11.387 24.168 1.00 22.43 C ATOM 1163 CD GLU A 73 18.111 -12.884 24.007 1.00 21.21 C ATOM 1164 OE1 GLU A 73 17.205 -13.639 24.419 1.00 62.04 O ATOM 1165 OE2 GLU A 73 19.159 -13.301 23.470 1.00 14.31 O ATOM 0 H GLU A 73 14.126 -10.998 23.278 1.00 43.12 H new ATOM 0 HA GLU A 73 15.633 -11.952 25.394 1.00 21.51 H new ATOM 0 HB2 GLU A 73 16.214 -11.514 22.898 1.00 11.10 H new ATOM 0 HB3 GLU A 73 16.612 -9.885 23.406 1.00 11.10 H new ATOM 0 HG2 GLU A 73 18.681 -10.867 23.575 1.00 22.43 H new ATOM 0 HG3 GLU A 73 18.100 -11.114 25.209 1.00 22.43 H new ATOM 1172 N HIS A 74 14.987 -8.762 25.612 1.00 21.33 N ATOM 1173 CA HIS A 74 15.078 -7.594 26.481 1.00 63.02 C ATOM 1174 C HIS A 74 14.236 -7.785 27.739 1.00 62.04 C ATOM 1175 O HIS A 74 14.608 -8.541 28.637 1.00 51.10 O ATOM 1176 CB HIS A 74 14.623 -6.340 25.734 1.00 61.12 C ATOM 1177 CG HIS A 74 14.857 -5.071 26.495 1.00 73.51 C ATOM 1178 ND1 HIS A 74 14.359 -3.850 26.093 1.00 71.02 N ATOM 1179 CD2 HIS A 74 15.538 -4.839 27.641 1.00 64.41 C ATOM 1180 CE1 HIS A 74 14.726 -2.921 26.958 1.00 72.24 C ATOM 1181 NE2 HIS A 74 15.442 -3.496 27.907 1.00 2.40 N ATOM 0 H HIS A 74 14.346 -8.654 24.826 1.00 21.33 H new ATOM 0 HA HIS A 74 16.120 -7.473 26.778 1.00 63.02 H new ATOM 0 HB2 HIS A 74 15.148 -6.284 24.781 1.00 61.12 H new ATOM 0 HB3 HIS A 74 13.560 -6.427 25.508 1.00 61.12 H new ATOM 0 HD2 HIS A 74 16.060 -5.574 28.236 1.00 64.41 H new ATOM 0 HE1 HIS A 74 14.482 -1.871 26.899 1.00 72.24 H new ATOM 0 HE2 HIS A 74 15.856 -3.019 28.708 1.00 2.40 H new TER 1189 HIS A 74