USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 703 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 ASN : amide:sc= 1.83 K(o=2.6,f=1.3) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= 0.793 USER MOD Set 2.1: A 14 GLN : amide:sc= 0.892 K(o=1.8,f=-2.5) USER MOD Set 2.2: A 37 LYS NZ :NH3+ 158:sc= 0.956 (180deg=0) USER MOD Set 3.1: A 9 LYS NZ :NH3+ 175:sc= 0.691 (180deg=-0.0948) USER MOD Set 3.2: A 15 THR OG1 : rot 140:sc= 0.648 USER MOD Single : A 1 GLY N :NH3+ -166:sc= 1.18 (180deg=1.03) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.4!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.904 K(o=0.9,f=-0.39) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0.833 K(o=0.83,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 131:sc= 0.259 USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 1.19 (180deg=1.13) USER MOD Single : A 30 LYS NZ :NH3+ 168:sc= 1.68 (180deg=1.45) USER MOD Single : A 32 LYS NZ :NH3+ -154:sc= 0.807 (180deg=0.432) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.55 X(o=-0.55,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= 0.696 (180deg=0.58) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 1.12 (180deg=1.11) USER MOD Single : A 65 TYR OH : rot 80:sc= -0.202 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= 1.21 (180deg=0.821) USER MOD Single : A 71 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 76 MET CE :methyl 173:sc= 0 (180deg=-0.0458) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.410 -17.171 0.513 1.00 10.00 N ATOM 2 CA GLY A 1 -7.850 -17.098 0.185 1.00 10.00 C ATOM 3 C GLY A 1 -8.088 -16.432 -1.164 1.00 10.00 C ATOM 4 O GLY A 1 -7.224 -16.456 -2.041 1.00 10.00 O ATOM 0 H1 GLY A 1 -6.267 -17.829 1.306 1.00 10.00 H new ATOM 0 H2 GLY A 1 -5.882 -17.509 -0.317 1.00 10.00 H new ATOM 0 H3 GLY A 1 -6.067 -16.226 0.781 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -8.272 -18.103 0.174 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -8.373 -16.541 0.963 1.00 10.00 H new ATOM 10 N SER A 2 -9.276 -15.850 -1.350 1.00 10.00 N ATOM 11 CA SER A 2 -9.797 -15.351 -2.643 1.00 10.00 C ATOM 12 C SER A 2 -9.099 -14.107 -3.229 1.00 10.00 C ATOM 13 O SER A 2 -9.410 -13.722 -4.358 1.00 10.00 O ATOM 14 CB SER A 2 -11.295 -15.039 -2.500 1.00 10.00 C ATOM 15 OG SER A 2 -11.995 -16.152 -1.960 1.00 10.00 O ATOM 0 H SER A 2 -9.931 -15.704 -0.582 1.00 10.00 H new ATOM 0 HA SER A 2 -9.593 -16.158 -3.347 1.00 10.00 H new ATOM 0 HB2 SER A 2 -11.430 -14.171 -1.854 1.00 10.00 H new ATOM 0 HB3 SER A 2 -11.711 -14.780 -3.473 1.00 10.00 H new ATOM 0 HG SER A 2 -12.946 -15.931 -1.876 1.00 10.00 H new ATOM 21 N HIS A 3 -8.167 -13.486 -2.487 1.00 10.00 N ATOM 22 CA HIS A 3 -7.538 -12.181 -2.764 1.00 10.00 C ATOM 23 C HIS A 3 -8.512 -10.982 -2.832 1.00 10.00 C ATOM 24 O HIS A 3 -9.733 -11.113 -2.946 1.00 10.00 O ATOM 25 CB HIS A 3 -6.601 -12.252 -3.993 1.00 10.00 C ATOM 26 CG HIS A 3 -5.198 -12.749 -3.712 1.00 10.00 C ATOM 27 ND1 HIS A 3 -4.069 -12.354 -4.394 1.00 10.00 N ATOM 28 CD2 HIS A 3 -4.799 -13.656 -2.766 1.00 10.00 C ATOM 29 CE1 HIS A 3 -3.014 -12.995 -3.871 1.00 10.00 C ATOM 30 NE2 HIS A 3 -3.406 -13.804 -2.870 1.00 10.00 N ATOM 0 H HIS A 3 -7.811 -13.905 -1.628 1.00 10.00 H new ATOM 0 HA HIS A 3 -6.929 -11.971 -1.885 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -7.056 -12.903 -4.739 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -6.534 -11.258 -4.436 1.00 10.00 H new ATOM 0 HD1 HIS A 3 -4.040 -11.687 -5.166 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -5.442 -14.167 -2.064 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -1.994 -12.878 -4.206 1.00 10.00 H new ATOM 38 N MET A 4 -7.933 -9.784 -2.730 1.00 10.00 N ATOM 39 CA MET A 4 -8.566 -8.469 -2.835 1.00 10.00 C ATOM 40 C MET A 4 -7.632 -7.530 -3.611 1.00 10.00 C ATOM 41 O MET A 4 -6.411 -7.689 -3.554 1.00 10.00 O ATOM 42 CB MET A 4 -8.838 -7.954 -1.410 1.00 10.00 C ATOM 43 CG MET A 4 -9.472 -6.560 -1.345 1.00 10.00 C ATOM 44 SD MET A 4 -11.028 -6.381 -2.259 1.00 10.00 S ATOM 45 CE MET A 4 -11.416 -4.664 -1.830 1.00 10.00 C ATOM 0 H MET A 4 -6.931 -9.703 -2.558 1.00 10.00 H new ATOM 0 HA MET A 4 -9.512 -8.521 -3.373 1.00 10.00 H new ATOM 0 HB2 MET A 4 -9.494 -8.661 -0.901 1.00 10.00 H new ATOM 0 HB3 MET A 4 -7.898 -7.937 -0.858 1.00 10.00 H new ATOM 0 HG2 MET A 4 -9.651 -6.307 -0.300 1.00 10.00 H new ATOM 0 HG3 MET A 4 -8.756 -5.834 -1.730 1.00 10.00 H new ATOM 0 HE1 MET A 4 -12.352 -4.372 -2.307 1.00 10.00 H new ATOM 0 HE2 MET A 4 -11.517 -4.573 -0.748 1.00 10.00 H new ATOM 0 HE3 MET A 4 -10.614 -4.012 -2.176 1.00 10.00 H new ATOM 55 N GLN A 5 -8.181 -6.538 -4.317 1.00 10.00 N ATOM 56 CA GLN A 5 -7.411 -5.603 -5.146 1.00 10.00 C ATOM 57 C GLN A 5 -7.567 -4.152 -4.679 1.00 10.00 C ATOM 58 O GLN A 5 -8.608 -3.776 -4.136 1.00 10.00 O ATOM 59 CB GLN A 5 -7.745 -5.805 -6.636 1.00 10.00 C ATOM 60 CG GLN A 5 -9.200 -5.476 -7.017 1.00 10.00 C ATOM 61 CD GLN A 5 -9.509 -5.698 -8.502 1.00 10.00 C ATOM 62 OE1 GLN A 5 -8.706 -6.201 -9.281 1.00 10.00 O ATOM 63 NE2 GLN A 5 -10.683 -5.336 -8.977 1.00 10.00 N ATOM 0 H GLN A 5 -9.185 -6.358 -4.330 1.00 10.00 H new ATOM 0 HA GLN A 5 -6.352 -5.828 -5.023 1.00 10.00 H new ATOM 0 HB2 GLN A 5 -7.078 -5.183 -7.232 1.00 10.00 H new ATOM 0 HB3 GLN A 5 -7.539 -6.841 -6.904 1.00 10.00 H new ATOM 0 HG2 GLN A 5 -9.872 -6.091 -6.418 1.00 10.00 H new ATOM 0 HG3 GLN A 5 -9.408 -4.437 -6.762 1.00 10.00 H new ATOM 0 HE21 GLN A 5 -11.376 -4.914 -8.358 1.00 10.00 H new ATOM 0 HE22 GLN A 5 -10.900 -5.477 -9.964 1.00 10.00 H new ATOM 72 N VAL A 6 -6.525 -3.333 -4.867 1.00 10.00 N ATOM 73 CA VAL A 6 -6.468 -1.953 -4.347 1.00 10.00 C ATOM 74 C VAL A 6 -5.855 -1.006 -5.390 1.00 10.00 C ATOM 75 O VAL A 6 -5.023 -1.412 -6.205 1.00 10.00 O ATOM 76 CB VAL A 6 -5.693 -1.900 -3.000 1.00 10.00 C ATOM 77 CG1 VAL A 6 -5.876 -0.552 -2.288 1.00 10.00 C ATOM 78 CG2 VAL A 6 -6.149 -2.966 -1.985 1.00 10.00 C ATOM 0 H VAL A 6 -5.691 -3.607 -5.386 1.00 10.00 H new ATOM 0 HA VAL A 6 -7.486 -1.616 -4.151 1.00 10.00 H new ATOM 0 HB VAL A 6 -4.657 -2.073 -3.291 1.00 10.00 H new ATOM 0 HG11 VAL A 6 -5.319 -0.557 -1.351 1.00 10.00 H new ATOM 0 HG12 VAL A 6 -5.506 0.250 -2.927 1.00 10.00 H new ATOM 0 HG13 VAL A 6 -6.934 -0.391 -2.080 1.00 10.00 H new ATOM 0 HG21 VAL A 6 -5.566 -2.870 -1.069 1.00 10.00 H new ATOM 0 HG22 VAL A 6 -7.206 -2.824 -1.758 1.00 10.00 H new ATOM 0 HG23 VAL A 6 -5.999 -3.959 -2.408 1.00 10.00 H new ATOM 88 N THR A 7 -6.265 0.264 -5.369 1.00 10.00 N ATOM 89 CA THR A 7 -5.700 1.340 -6.199 1.00 10.00 C ATOM 90 C THR A 7 -4.728 2.173 -5.362 1.00 10.00 C ATOM 91 O THR A 7 -5.101 2.645 -4.289 1.00 10.00 O ATOM 92 CB THR A 7 -6.818 2.242 -6.741 1.00 10.00 C ATOM 93 OG1 THR A 7 -7.735 1.492 -7.508 1.00 10.00 O ATOM 94 CG2 THR A 7 -6.277 3.338 -7.656 1.00 10.00 C ATOM 0 H THR A 7 -7.018 0.585 -4.760 1.00 10.00 H new ATOM 0 HA THR A 7 -5.171 0.895 -7.041 1.00 10.00 H new ATOM 0 HB THR A 7 -7.296 2.685 -5.868 1.00 10.00 H new ATOM 0 HG1 THR A 7 -8.441 2.083 -7.844 1.00 10.00 H new ATOM 0 HG21 THR A 7 -7.103 3.952 -8.016 1.00 10.00 H new ATOM 0 HG22 THR A 7 -5.576 3.962 -7.101 1.00 10.00 H new ATOM 0 HG23 THR A 7 -5.766 2.884 -8.505 1.00 10.00 H new ATOM 102 N LEU A 8 -3.487 2.360 -5.825 1.00 10.00 N ATOM 103 CA LEU A 8 -2.401 2.988 -5.062 1.00 10.00 C ATOM 104 C LEU A 8 -1.875 4.243 -5.765 1.00 10.00 C ATOM 105 O LEU A 8 -1.391 4.145 -6.892 1.00 10.00 O ATOM 106 CB LEU A 8 -1.224 2.012 -4.870 1.00 10.00 C ATOM 107 CG LEU A 8 -1.543 0.637 -4.265 1.00 10.00 C ATOM 108 CD1 LEU A 8 -0.246 -0.019 -3.797 1.00 10.00 C ATOM 109 CD2 LEU A 8 -2.420 0.722 -3.023 1.00 10.00 C ATOM 0 H LEU A 8 -3.203 2.073 -6.762 1.00 10.00 H new ATOM 0 HA LEU A 8 -2.818 3.262 -4.093 1.00 10.00 H new ATOM 0 HB2 LEU A 8 -0.755 1.853 -5.841 1.00 10.00 H new ATOM 0 HB3 LEU A 8 -0.483 2.497 -4.234 1.00 10.00 H new ATOM 0 HG LEU A 8 -2.059 0.078 -5.046 1.00 10.00 H new ATOM 0 HD11 LEU A 8 -0.467 -0.996 -3.367 1.00 10.00 H new ATOM 0 HD12 LEU A 8 0.427 -0.140 -4.646 1.00 10.00 H new ATOM 0 HD13 LEU A 8 0.229 0.610 -3.044 1.00 10.00 H new ATOM 0 HD21 LEU A 8 -2.610 -0.282 -2.642 1.00 10.00 H new ATOM 0 HD22 LEU A 8 -1.912 1.310 -2.258 1.00 10.00 H new ATOM 0 HD23 LEU A 8 -3.367 1.199 -3.278 1.00 10.00 H new ATOM 121 N LYS A 9 -1.922 5.392 -5.086 1.00 10.00 N ATOM 122 CA LYS A 9 -1.354 6.675 -5.534 1.00 10.00 C ATOM 123 C LYS A 9 -0.003 6.931 -4.869 1.00 10.00 C ATOM 124 O LYS A 9 0.146 6.715 -3.668 1.00 10.00 O ATOM 125 CB LYS A 9 -2.297 7.839 -5.178 1.00 10.00 C ATOM 126 CG LYS A 9 -3.637 7.741 -5.913 1.00 10.00 C ATOM 127 CD LYS A 9 -4.486 9.014 -5.797 1.00 10.00 C ATOM 128 CE LYS A 9 -3.987 10.153 -6.702 1.00 10.00 C ATOM 129 NZ LYS A 9 -4.207 9.856 -8.143 1.00 10.00 N ATOM 0 H LYS A 9 -2.373 5.461 -4.174 1.00 10.00 H new ATOM 0 HA LYS A 9 -1.228 6.617 -6.615 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -2.474 7.846 -4.102 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -1.815 8.784 -5.428 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -3.451 7.531 -6.966 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -4.202 6.898 -5.514 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -5.519 8.780 -6.053 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -4.484 9.353 -4.761 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -4.502 11.077 -6.439 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -2.924 10.319 -6.524 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -3.935 10.682 -8.713 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -3.628 9.038 -8.421 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -5.212 9.640 -8.303 1.00 10.00 H new ATOM 143 N THR A 10 0.963 7.446 -5.618 1.00 10.00 N ATOM 144 CA THR A 10 2.292 7.818 -5.106 1.00 10.00 C ATOM 145 C THR A 10 2.388 9.326 -4.855 1.00 10.00 C ATOM 146 O THR A 10 1.703 10.130 -5.496 1.00 10.00 O ATOM 147 CB THR A 10 3.405 7.396 -6.083 1.00 10.00 C ATOM 148 OG1 THR A 10 3.361 8.191 -7.247 1.00 10.00 O ATOM 149 CG2 THR A 10 3.308 5.934 -6.523 1.00 10.00 C ATOM 0 H THR A 10 0.852 7.623 -6.616 1.00 10.00 H new ATOM 0 HA THR A 10 2.427 7.290 -4.162 1.00 10.00 H new ATOM 0 HB THR A 10 4.338 7.531 -5.537 1.00 10.00 H new ATOM 0 HG1 THR A 10 4.074 7.914 -7.859 1.00 10.00 H new ATOM 0 HG21 THR A 10 4.123 5.706 -7.210 1.00 10.00 H new ATOM 0 HG22 THR A 10 3.378 5.286 -5.649 1.00 10.00 H new ATOM 0 HG23 THR A 10 2.354 5.767 -7.023 1.00 10.00 H new ATOM 157 N LEU A 11 3.309 9.738 -3.974 1.00 10.00 N ATOM 158 CA LEU A 11 3.708 11.148 -3.830 1.00 10.00 C ATOM 159 C LEU A 11 4.279 11.772 -5.125 1.00 10.00 C ATOM 160 O LEU A 11 4.259 12.990 -5.284 1.00 10.00 O ATOM 161 CB LEU A 11 4.659 11.313 -2.627 1.00 10.00 C ATOM 162 CG LEU A 11 6.141 10.934 -2.832 1.00 10.00 C ATOM 163 CD1 LEU A 11 6.922 11.311 -1.571 1.00 10.00 C ATOM 164 CD2 LEU A 11 6.368 9.443 -3.102 1.00 10.00 C ATOM 0 H LEU A 11 3.799 9.106 -3.341 1.00 10.00 H new ATOM 0 HA LEU A 11 2.799 11.717 -3.633 1.00 10.00 H new ATOM 0 HB2 LEU A 11 4.619 12.354 -2.308 1.00 10.00 H new ATOM 0 HB3 LEU A 11 4.269 10.712 -1.805 1.00 10.00 H new ATOM 0 HG LEU A 11 6.482 11.477 -3.713 1.00 10.00 H new ATOM 0 HD11 LEU A 11 7.972 11.049 -1.701 1.00 10.00 H new ATOM 0 HD12 LEU A 11 6.835 12.383 -1.396 1.00 10.00 H new ATOM 0 HD13 LEU A 11 6.516 10.770 -0.716 1.00 10.00 H new ATOM 0 HD21 LEU A 11 7.433 9.255 -3.235 1.00 10.00 H new ATOM 0 HD22 LEU A 11 6.000 8.860 -2.258 1.00 10.00 H new ATOM 0 HD23 LEU A 11 5.832 9.151 -4.005 1.00 10.00 H new ATOM 176 N GLN A 12 4.741 10.943 -6.071 1.00 10.00 N ATOM 177 CA GLN A 12 5.237 11.329 -7.401 1.00 10.00 C ATOM 178 C GLN A 12 4.103 11.553 -8.432 1.00 10.00 C ATOM 179 O GLN A 12 4.374 11.756 -9.618 1.00 10.00 O ATOM 180 CB GLN A 12 6.244 10.269 -7.892 1.00 10.00 C ATOM 181 CG GLN A 12 7.496 10.179 -7.002 1.00 10.00 C ATOM 182 CD GLN A 12 8.454 9.078 -7.460 1.00 10.00 C ATOM 183 OE1 GLN A 12 8.866 9.002 -8.614 1.00 10.00 O ATOM 184 NE2 GLN A 12 8.851 8.179 -6.584 1.00 10.00 N ATOM 0 H GLN A 12 4.781 9.935 -5.923 1.00 10.00 H new ATOM 0 HA GLN A 12 5.736 12.293 -7.305 1.00 10.00 H new ATOM 0 HB2 GLN A 12 5.754 9.296 -7.922 1.00 10.00 H new ATOM 0 HB3 GLN A 12 6.545 10.506 -8.912 1.00 10.00 H new ATOM 0 HG2 GLN A 12 8.016 11.137 -7.011 1.00 10.00 H new ATOM 0 HG3 GLN A 12 7.194 9.990 -5.972 1.00 10.00 H new ATOM 0 HE21 GLN A 12 8.520 8.225 -5.620 1.00 10.00 H new ATOM 0 HE22 GLN A 12 9.490 7.437 -6.869 1.00 10.00 H new ATOM 193 N GLN A 13 2.836 11.547 -7.991 1.00 10.00 N ATOM 194 CA GLN A 13 1.630 11.787 -8.798 1.00 10.00 C ATOM 195 C GLN A 13 1.424 10.743 -9.917 1.00 10.00 C ATOM 196 O GLN A 13 1.259 11.075 -11.096 1.00 10.00 O ATOM 197 CB GLN A 13 1.544 13.251 -9.281 1.00 10.00 C ATOM 198 CG GLN A 13 1.751 14.311 -8.178 1.00 10.00 C ATOM 199 CD GLN A 13 3.081 15.059 -8.326 1.00 10.00 C ATOM 200 OE1 GLN A 13 3.290 15.828 -9.256 1.00 10.00 O ATOM 201 NE2 GLN A 13 4.029 14.890 -7.426 1.00 10.00 N ATOM 0 H GLN A 13 2.614 11.365 -7.012 1.00 10.00 H new ATOM 0 HA GLN A 13 0.776 11.640 -8.137 1.00 10.00 H new ATOM 0 HB2 GLN A 13 2.291 13.406 -10.059 1.00 10.00 H new ATOM 0 HB3 GLN A 13 0.568 13.411 -9.740 1.00 10.00 H new ATOM 0 HG2 GLN A 13 0.930 15.027 -8.208 1.00 10.00 H new ATOM 0 HG3 GLN A 13 1.717 13.827 -7.202 1.00 10.00 H new ATOM 0 HE21 GLN A 13 3.880 14.255 -6.642 1.00 10.00 H new ATOM 0 HE22 GLN A 13 4.911 15.394 -7.514 1.00 10.00 H new ATOM 210 N GLN A 14 1.424 9.463 -9.537 1.00 10.00 N ATOM 211 CA GLN A 14 1.185 8.296 -10.390 1.00 10.00 C ATOM 212 C GLN A 14 0.223 7.354 -9.649 1.00 10.00 C ATOM 213 O GLN A 14 0.238 7.317 -8.417 1.00 10.00 O ATOM 214 CB GLN A 14 2.546 7.632 -10.677 1.00 10.00 C ATOM 215 CG GLN A 14 2.455 6.377 -11.552 1.00 10.00 C ATOM 216 CD GLN A 14 3.827 5.751 -11.798 1.00 10.00 C ATOM 217 OE1 GLN A 14 4.228 4.784 -11.155 1.00 10.00 O ATOM 218 NE2 GLN A 14 4.604 6.262 -12.729 1.00 10.00 N ATOM 0 H GLN A 14 1.601 9.198 -8.568 1.00 10.00 H new ATOM 0 HA GLN A 14 0.729 8.564 -11.343 1.00 10.00 H new ATOM 0 HB2 GLN A 14 3.196 8.357 -11.166 1.00 10.00 H new ATOM 0 HB3 GLN A 14 3.017 7.369 -9.730 1.00 10.00 H new ATOM 0 HG2 GLN A 14 1.804 5.647 -11.072 1.00 10.00 H new ATOM 0 HG3 GLN A 14 1.997 6.633 -12.507 1.00 10.00 H new ATOM 0 HE21 GLN A 14 4.288 7.065 -13.273 1.00 10.00 H new ATOM 0 HE22 GLN A 14 5.522 5.855 -12.907 1.00 10.00 H new ATOM 227 N THR A 15 -0.597 6.582 -10.373 1.00 10.00 N ATOM 228 CA THR A 15 -1.551 5.629 -9.771 1.00 10.00 C ATOM 229 C THR A 15 -1.500 4.266 -10.463 1.00 10.00 C ATOM 230 O THR A 15 -1.353 4.193 -11.686 1.00 10.00 O ATOM 231 CB THR A 15 -2.998 6.164 -9.775 1.00 10.00 C ATOM 232 OG1 THR A 15 -3.049 7.557 -9.517 1.00 10.00 O ATOM 233 CG2 THR A 15 -3.856 5.476 -8.713 1.00 10.00 C ATOM 0 H THR A 15 -0.621 6.597 -11.393 1.00 10.00 H new ATOM 0 HA THR A 15 -1.240 5.508 -8.733 1.00 10.00 H new ATOM 0 HB THR A 15 -3.384 5.953 -10.772 1.00 10.00 H new ATOM 0 HG1 THR A 15 -3.723 7.972 -10.095 1.00 10.00 H new ATOM 0 HG21 THR A 15 -4.868 5.879 -8.746 1.00 10.00 H new ATOM 0 HG22 THR A 15 -3.886 4.404 -8.908 1.00 10.00 H new ATOM 0 HG23 THR A 15 -3.427 5.654 -7.727 1.00 10.00 H new ATOM 241 N PHE A 16 -1.634 3.179 -9.694 1.00 10.00 N ATOM 242 CA PHE A 16 -1.579 1.792 -10.178 1.00 10.00 C ATOM 243 C PHE A 16 -2.537 0.868 -9.409 1.00 10.00 C ATOM 244 O PHE A 16 -3.172 1.276 -8.435 1.00 10.00 O ATOM 245 CB PHE A 16 -0.132 1.274 -10.162 1.00 10.00 C ATOM 246 CG PHE A 16 0.548 1.195 -8.808 1.00 10.00 C ATOM 247 CD1 PHE A 16 1.171 2.343 -8.276 1.00 10.00 C ATOM 248 CD2 PHE A 16 0.631 -0.030 -8.109 1.00 10.00 C ATOM 249 CE1 PHE A 16 1.890 2.268 -7.071 1.00 10.00 C ATOM 250 CE2 PHE A 16 1.408 -0.112 -6.947 1.00 10.00 C ATOM 251 CZ PHE A 16 2.032 1.033 -6.420 1.00 10.00 C ATOM 0 H PHE A 16 -1.788 3.241 -8.688 1.00 10.00 H new ATOM 0 HA PHE A 16 -1.925 1.785 -11.212 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -0.122 0.279 -10.607 1.00 10.00 H new ATOM 0 HB3 PHE A 16 0.467 1.917 -10.807 1.00 10.00 H new ATOM 0 HD1 PHE A 16 1.095 3.285 -8.798 1.00 10.00 H new ATOM 0 HD2 PHE A 16 0.098 -0.898 -8.469 1.00 10.00 H new ATOM 0 HE1 PHE A 16 2.332 3.158 -6.647 1.00 10.00 H new ATOM 0 HE2 PHE A 16 1.529 -1.064 -6.451 1.00 10.00 H new ATOM 0 HZ PHE A 16 2.619 0.962 -5.516 1.00 10.00 H new ATOM 261 N LYS A 17 -2.676 -0.371 -9.888 1.00 10.00 N ATOM 262 CA LYS A 17 -3.641 -1.389 -9.451 1.00 10.00 C ATOM 263 C LYS A 17 -2.899 -2.691 -9.158 1.00 10.00 C ATOM 264 O LYS A 17 -2.154 -3.182 -10.010 1.00 10.00 O ATOM 265 CB LYS A 17 -4.674 -1.653 -10.570 1.00 10.00 C ATOM 266 CG LYS A 17 -5.431 -0.434 -11.119 1.00 10.00 C ATOM 267 CD LYS A 17 -6.317 0.239 -10.067 1.00 10.00 C ATOM 268 CE LYS A 17 -7.333 1.206 -10.693 1.00 10.00 C ATOM 269 NZ LYS A 17 -6.696 2.344 -11.410 1.00 10.00 N ATOM 0 H LYS A 17 -2.079 -0.714 -10.641 1.00 10.00 H new ATOM 0 HA LYS A 17 -4.152 -1.033 -8.557 1.00 10.00 H new ATOM 0 HB2 LYS A 17 -4.158 -2.135 -11.401 1.00 10.00 H new ATOM 0 HB3 LYS A 17 -5.407 -2.366 -10.193 1.00 10.00 H new ATOM 0 HG2 LYS A 17 -4.713 0.292 -11.501 1.00 10.00 H new ATOM 0 HG3 LYS A 17 -6.048 -0.745 -11.962 1.00 10.00 H new ATOM 0 HD2 LYS A 17 -6.848 -0.525 -9.500 1.00 10.00 H new ATOM 0 HD3 LYS A 17 -5.690 0.782 -9.360 1.00 10.00 H new ATOM 0 HE2 LYS A 17 -7.967 0.656 -11.389 1.00 10.00 H new ATOM 0 HE3 LYS A 17 -7.983 1.597 -9.910 1.00 10.00 H new ATOM 0 HZ1 LYS A 17 -7.433 2.959 -11.809 1.00 10.00 H new ATOM 0 HZ2 LYS A 17 -6.112 2.890 -10.745 1.00 10.00 H new ATOM 0 HZ3 LYS A 17 -6.097 1.979 -12.178 1.00 10.00 H new ATOM 283 N ILE A 18 -3.102 -3.246 -7.968 1.00 10.00 N ATOM 284 CA ILE A 18 -2.487 -4.496 -7.499 1.00 10.00 C ATOM 285 C ILE A 18 -3.480 -5.355 -6.700 1.00 10.00 C ATOM 286 O ILE A 18 -4.551 -4.879 -6.333 1.00 10.00 O ATOM 287 CB ILE A 18 -1.203 -4.201 -6.685 1.00 10.00 C ATOM 288 CG1 ILE A 18 -1.173 -2.926 -5.821 1.00 10.00 C ATOM 289 CG2 ILE A 18 0.018 -4.173 -7.618 1.00 10.00 C ATOM 290 CD1 ILE A 18 -2.290 -2.935 -4.783 1.00 10.00 C ATOM 0 H ILE A 18 -3.721 -2.827 -7.274 1.00 10.00 H new ATOM 0 HA ILE A 18 -2.203 -5.078 -8.376 1.00 10.00 H new ATOM 0 HB ILE A 18 -1.184 -5.022 -5.969 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -0.208 -2.846 -5.320 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -1.274 -2.049 -6.460 1.00 10.00 H new ATOM 0 HG21 ILE A 18 0.916 -3.965 -7.036 1.00 10.00 H new ATOM 0 HG22 ILE A 18 0.121 -5.140 -8.111 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -0.116 -3.395 -8.369 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -2.242 -2.022 -4.189 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -3.255 -2.990 -5.287 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -2.173 -3.800 -4.130 1.00 10.00 H new ATOM 302 N ASP A 19 -3.124 -6.610 -6.403 1.00 10.00 N ATOM 303 CA ASP A 19 -3.933 -7.537 -5.602 1.00 10.00 C ATOM 304 C ASP A 19 -3.068 -8.378 -4.647 1.00 10.00 C ATOM 305 O ASP A 19 -1.965 -8.811 -5.000 1.00 10.00 O ATOM 306 CB ASP A 19 -4.803 -8.427 -6.505 1.00 10.00 C ATOM 307 CG ASP A 19 -4.022 -9.554 -7.204 1.00 10.00 C ATOM 308 OD1 ASP A 19 -3.440 -9.313 -8.290 1.00 10.00 O ATOM 309 OD2 ASP A 19 -4.023 -10.694 -6.679 1.00 10.00 O ATOM 0 H ASP A 19 -2.245 -7.019 -6.720 1.00 10.00 H new ATOM 0 HA ASP A 19 -4.598 -6.937 -4.980 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -5.600 -8.867 -5.906 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -5.280 -7.804 -7.262 1.00 10.00 H new ATOM 314 N ILE A 20 -3.570 -8.579 -3.427 1.00 10.00 N ATOM 315 CA ILE A 20 -2.973 -9.357 -2.329 1.00 10.00 C ATOM 316 C ILE A 20 -4.084 -10.050 -1.511 1.00 10.00 C ATOM 317 O ILE A 20 -5.267 -9.757 -1.693 1.00 10.00 O ATOM 318 CB ILE A 20 -2.049 -8.487 -1.424 1.00 10.00 C ATOM 319 CG1 ILE A 20 -2.778 -7.499 -0.483 1.00 10.00 C ATOM 320 CG2 ILE A 20 -0.934 -7.763 -2.211 1.00 10.00 C ATOM 321 CD1 ILE A 20 -3.815 -6.558 -1.114 1.00 10.00 C ATOM 0 H ILE A 20 -4.467 -8.176 -3.157 1.00 10.00 H new ATOM 0 HA ILE A 20 -2.333 -10.123 -2.767 1.00 10.00 H new ATOM 0 HB ILE A 20 -1.586 -9.229 -0.773 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -3.277 -8.079 0.293 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -2.024 -6.887 0.012 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -0.326 -7.175 -1.523 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -0.305 -8.499 -2.712 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -1.383 -7.103 -2.954 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -4.247 -5.922 -0.341 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -3.331 -5.936 -1.867 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -4.604 -7.147 -1.582 1.00 10.00 H new ATOM 333 N ASP A 21 -3.752 -10.959 -0.591 1.00 10.00 N ATOM 334 CA ASP A 21 -4.754 -11.508 0.335 1.00 10.00 C ATOM 335 C ASP A 21 -5.174 -10.470 1.410 1.00 10.00 C ATOM 336 O ASP A 21 -4.298 -9.898 2.068 1.00 10.00 O ATOM 337 CB ASP A 21 -4.228 -12.794 0.976 1.00 10.00 C ATOM 338 CG ASP A 21 -5.365 -13.522 1.701 1.00 10.00 C ATOM 339 OD1 ASP A 21 -5.706 -13.128 2.839 1.00 10.00 O ATOM 340 OD2 ASP A 21 -5.943 -14.459 1.101 1.00 10.00 O ATOM 0 H ASP A 21 -2.810 -11.329 -0.465 1.00 10.00 H new ATOM 0 HA ASP A 21 -5.650 -11.747 -0.237 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -3.799 -13.442 0.212 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -3.429 -12.559 1.679 1.00 10.00 H new ATOM 345 N PRO A 22 -6.483 -10.211 1.633 1.00 10.00 N ATOM 346 CA PRO A 22 -6.951 -9.167 2.556 1.00 10.00 C ATOM 347 C PRO A 22 -6.682 -9.452 4.044 1.00 10.00 C ATOM 348 O PRO A 22 -6.808 -8.546 4.870 1.00 10.00 O ATOM 349 CB PRO A 22 -8.451 -9.017 2.277 1.00 10.00 C ATOM 350 CG PRO A 22 -8.853 -10.388 1.746 1.00 10.00 C ATOM 351 CD PRO A 22 -7.617 -10.832 0.967 1.00 10.00 C ATOM 0 HA PRO A 22 -6.392 -8.249 2.375 1.00 10.00 H new ATOM 0 HB2 PRO A 22 -9.003 -8.759 3.180 1.00 10.00 H new ATOM 0 HB3 PRO A 22 -8.647 -8.231 1.548 1.00 10.00 H new ATOM 0 HG2 PRO A 22 -9.090 -11.080 2.554 1.00 10.00 H new ATOM 0 HG3 PRO A 22 -9.734 -10.331 1.106 1.00 10.00 H new ATOM 0 HD2 PRO A 22 -7.524 -11.918 0.968 1.00 10.00 H new ATOM 0 HD3 PRO A 22 -7.678 -10.518 -0.075 1.00 10.00 H new ATOM 359 N GLU A 23 -6.293 -10.673 4.416 1.00 10.00 N ATOM 360 CA GLU A 23 -5.917 -11.030 5.787 1.00 10.00 C ATOM 361 C GLU A 23 -4.393 -11.095 6.009 1.00 10.00 C ATOM 362 O GLU A 23 -3.947 -11.381 7.123 1.00 10.00 O ATOM 363 CB GLU A 23 -6.622 -12.325 6.224 1.00 10.00 C ATOM 364 CG GLU A 23 -8.148 -12.230 6.070 1.00 10.00 C ATOM 365 CD GLU A 23 -8.859 -13.182 7.044 1.00 10.00 C ATOM 366 OE1 GLU A 23 -9.143 -12.746 8.186 1.00 10.00 O ATOM 367 OE2 GLU A 23 -9.144 -14.351 6.681 1.00 10.00 O ATOM 0 H GLU A 23 -6.229 -11.454 3.764 1.00 10.00 H new ATOM 0 HA GLU A 23 -6.263 -10.220 6.428 1.00 10.00 H new ATOM 0 HB2 GLU A 23 -6.249 -13.159 5.630 1.00 10.00 H new ATOM 0 HB3 GLU A 23 -6.375 -12.539 7.264 1.00 10.00 H new ATOM 0 HG2 GLU A 23 -8.473 -11.206 6.254 1.00 10.00 H new ATOM 0 HG3 GLU A 23 -8.430 -12.474 5.046 1.00 10.00 H new ATOM 374 N GLU A 24 -3.578 -10.772 4.996 1.00 10.00 N ATOM 375 CA GLU A 24 -2.177 -10.394 5.223 1.00 10.00 C ATOM 376 C GLU A 24 -2.092 -8.979 5.825 1.00 10.00 C ATOM 377 O GLU A 24 -3.033 -8.183 5.738 1.00 10.00 O ATOM 378 CB GLU A 24 -1.367 -10.471 3.918 1.00 10.00 C ATOM 379 CG GLU A 24 -1.129 -11.907 3.429 1.00 10.00 C ATOM 380 CD GLU A 24 -0.071 -12.641 4.278 1.00 10.00 C ATOM 381 OE1 GLU A 24 1.137 -12.571 3.943 1.00 10.00 O ATOM 382 OE2 GLU A 24 -0.435 -13.303 5.280 1.00 10.00 O ATOM 0 H GLU A 24 -3.863 -10.765 4.017 1.00 10.00 H new ATOM 0 HA GLU A 24 -1.746 -11.102 5.932 1.00 10.00 H new ATOM 0 HB2 GLU A 24 -1.890 -9.913 3.141 1.00 10.00 H new ATOM 0 HB3 GLU A 24 -0.404 -9.982 4.068 1.00 10.00 H new ATOM 0 HG2 GLU A 24 -2.067 -12.461 3.462 1.00 10.00 H new ATOM 0 HG3 GLU A 24 -0.807 -11.886 2.388 1.00 10.00 H new ATOM 389 N THR A 25 -0.955 -8.652 6.441 1.00 10.00 N ATOM 390 CA THR A 25 -0.683 -7.310 6.976 1.00 10.00 C ATOM 391 C THR A 25 -0.216 -6.340 5.889 1.00 10.00 C ATOM 392 O THR A 25 0.102 -6.741 4.765 1.00 10.00 O ATOM 393 CB THR A 25 0.337 -7.363 8.124 1.00 10.00 C ATOM 394 OG1 THR A 25 1.574 -7.844 7.651 1.00 10.00 O ATOM 395 CG2 THR A 25 -0.114 -8.274 9.268 1.00 10.00 C ATOM 0 H THR A 25 -0.191 -9.312 6.585 1.00 10.00 H new ATOM 0 HA THR A 25 -1.627 -6.933 7.370 1.00 10.00 H new ATOM 0 HB THR A 25 0.428 -6.345 8.502 1.00 10.00 H new ATOM 0 HG1 THR A 25 2.293 -7.250 7.953 1.00 10.00 H new ATOM 0 HG21 THR A 25 0.643 -8.275 10.052 1.00 10.00 H new ATOM 0 HG22 THR A 25 -1.057 -7.908 9.674 1.00 10.00 H new ATOM 0 HG23 THR A 25 -0.250 -9.289 8.893 1.00 10.00 H new ATOM 403 N VAL A 26 -0.141 -5.042 6.216 1.00 10.00 N ATOM 404 CA VAL A 26 0.352 -4.001 5.287 1.00 10.00 C ATOM 405 C VAL A 26 1.759 -4.310 4.766 1.00 10.00 C ATOM 406 O VAL A 26 2.059 -3.960 3.625 1.00 10.00 O ATOM 407 CB VAL A 26 0.305 -2.602 5.931 1.00 10.00 C ATOM 408 CG1 VAL A 26 0.833 -1.486 5.022 1.00 10.00 C ATOM 409 CG2 VAL A 26 -1.133 -2.229 6.321 1.00 10.00 C ATOM 0 H VAL A 26 -0.418 -4.679 7.128 1.00 10.00 H new ATOM 0 HA VAL A 26 -0.322 -4.004 4.430 1.00 10.00 H new ATOM 0 HB VAL A 26 0.953 -2.674 6.805 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.768 -0.531 5.543 1.00 10.00 H new ATOM 0 HG12 VAL A 26 1.872 -1.689 4.763 1.00 10.00 H new ATOM 0 HG13 VAL A 26 0.234 -1.444 4.112 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.142 -1.237 6.774 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.762 -2.227 5.431 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.517 -2.957 7.035 1.00 10.00 H new ATOM 419 N LYS A 27 2.599 -5.028 5.527 1.00 10.00 N ATOM 420 CA LYS A 27 3.919 -5.503 5.076 1.00 10.00 C ATOM 421 C LYS A 27 3.863 -6.206 3.711 1.00 10.00 C ATOM 422 O LYS A 27 4.678 -5.887 2.854 1.00 10.00 O ATOM 423 CB LYS A 27 4.535 -6.390 6.171 1.00 10.00 C ATOM 424 CG LYS A 27 5.935 -6.907 5.811 1.00 10.00 C ATOM 425 CD LYS A 27 6.546 -7.691 6.983 1.00 10.00 C ATOM 426 CE LYS A 27 7.952 -8.222 6.668 1.00 10.00 C ATOM 427 NZ LYS A 27 7.944 -9.295 5.639 1.00 10.00 N ATOM 0 H LYS A 27 2.379 -5.299 6.485 1.00 10.00 H new ATOM 0 HA LYS A 27 4.564 -4.639 4.919 1.00 10.00 H new ATOM 0 HB2 LYS A 27 4.592 -5.823 7.100 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.877 -7.239 6.355 1.00 10.00 H new ATOM 0 HG2 LYS A 27 5.876 -7.547 4.931 1.00 10.00 H new ATOM 0 HG3 LYS A 27 6.582 -6.069 5.552 1.00 10.00 H new ATOM 0 HD2 LYS A 27 6.593 -7.047 7.861 1.00 10.00 H new ATOM 0 HD3 LYS A 27 5.894 -8.527 7.235 1.00 10.00 H new ATOM 0 HE2 LYS A 27 8.578 -7.399 6.323 1.00 10.00 H new ATOM 0 HE3 LYS A 27 8.404 -8.605 7.583 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 8.919 -9.605 5.453 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 7.384 -10.101 5.983 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 7.523 -8.931 4.761 1.00 10.00 H new ATOM 441 N ALA A 28 2.886 -7.082 3.461 1.00 10.00 N ATOM 442 CA ALA A 28 2.737 -7.767 2.172 1.00 10.00 C ATOM 443 C ALA A 28 2.452 -6.792 1.011 1.00 10.00 C ATOM 444 O ALA A 28 3.168 -6.776 0.007 1.00 10.00 O ATOM 445 CB ALA A 28 1.630 -8.819 2.309 1.00 10.00 C ATOM 0 H ALA A 28 2.175 -7.337 4.146 1.00 10.00 H new ATOM 0 HA ALA A 28 3.681 -8.251 1.920 1.00 10.00 H new ATOM 0 HB1 ALA A 28 1.504 -9.340 1.360 1.00 10.00 H new ATOM 0 HB2 ALA A 28 1.903 -9.536 3.083 1.00 10.00 H new ATOM 0 HB3 ALA A 28 0.695 -8.330 2.582 1.00 10.00 H new ATOM 451 N LEU A 29 1.440 -5.932 1.175 1.00 10.00 N ATOM 452 CA LEU A 29 1.039 -4.880 0.246 1.00 10.00 C ATOM 453 C LEU A 29 2.150 -3.851 -0.025 1.00 10.00 C ATOM 454 O LEU A 29 2.273 -3.339 -1.135 1.00 10.00 O ATOM 455 CB LEU A 29 -0.207 -4.265 0.894 1.00 10.00 C ATOM 456 CG LEU A 29 -1.048 -3.262 0.107 1.00 10.00 C ATOM 457 CD1 LEU A 29 -0.548 -1.822 0.216 1.00 10.00 C ATOM 458 CD2 LEU A 29 -1.250 -3.624 -1.363 1.00 10.00 C ATOM 0 H LEU A 29 0.849 -5.956 2.006 1.00 10.00 H new ATOM 0 HA LEU A 29 0.831 -5.274 -0.749 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -0.863 -5.086 1.183 1.00 10.00 H new ATOM 0 HB3 LEU A 29 0.112 -3.773 1.813 1.00 10.00 H new ATOM 0 HG LEU A 29 -2.020 -3.325 0.597 1.00 10.00 H new ATOM 0 HD11 LEU A 29 -1.194 -1.167 -0.368 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.564 -1.509 1.260 1.00 10.00 H new ATOM 0 HD13 LEU A 29 0.471 -1.761 -0.166 1.00 10.00 H new ATOM 0 HD21 LEU A 29 -1.858 -2.859 -1.846 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -0.281 -3.685 -1.859 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -1.755 -4.587 -1.434 1.00 10.00 H new ATOM 470 N LYS A 30 2.967 -3.552 0.986 1.00 10.00 N ATOM 471 CA LYS A 30 4.099 -2.628 0.913 1.00 10.00 C ATOM 472 C LYS A 30 5.370 -3.235 0.308 1.00 10.00 C ATOM 473 O LYS A 30 6.056 -2.565 -0.459 1.00 10.00 O ATOM 474 CB LYS A 30 4.266 -2.028 2.323 1.00 10.00 C ATOM 475 CG LYS A 30 5.384 -0.986 2.453 1.00 10.00 C ATOM 476 CD LYS A 30 6.684 -1.598 2.988 1.00 10.00 C ATOM 477 CE LYS A 30 6.631 -1.844 4.504 1.00 10.00 C ATOM 478 NZ LYS A 30 6.996 -0.640 5.294 1.00 10.00 N ATOM 0 H LYS A 30 2.854 -3.962 1.913 1.00 10.00 H new ATOM 0 HA LYS A 30 3.894 -1.829 0.200 1.00 10.00 H new ATOM 0 HB2 LYS A 30 3.324 -1.568 2.620 1.00 10.00 H new ATOM 0 HB3 LYS A 30 4.461 -2.838 3.026 1.00 10.00 H new ATOM 0 HG2 LYS A 30 5.571 -0.532 1.480 1.00 10.00 H new ATOM 0 HG3 LYS A 30 5.059 -0.187 3.120 1.00 10.00 H new ATOM 0 HD2 LYS A 30 6.877 -2.540 2.476 1.00 10.00 H new ATOM 0 HD3 LYS A 30 7.517 -0.934 2.759 1.00 10.00 H new ATOM 0 HE2 LYS A 30 5.627 -2.164 4.781 1.00 10.00 H new ATOM 0 HE3 LYS A 30 7.307 -2.660 4.759 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 6.751 -0.793 6.293 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 8.018 -0.467 5.211 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 6.475 0.184 4.932 1.00 10.00 H new ATOM 492 N GLU A 31 5.685 -4.496 0.597 1.00 10.00 N ATOM 493 CA GLU A 31 6.827 -5.191 -0.014 1.00 10.00 C ATOM 494 C GLU A 31 6.608 -5.482 -1.504 1.00 10.00 C ATOM 495 O GLU A 31 7.545 -5.337 -2.292 1.00 10.00 O ATOM 496 CB GLU A 31 7.145 -6.501 0.727 1.00 10.00 C ATOM 497 CG GLU A 31 7.848 -6.244 2.068 1.00 10.00 C ATOM 498 CD GLU A 31 8.279 -7.554 2.748 1.00 10.00 C ATOM 499 OE1 GLU A 31 7.419 -8.420 3.044 1.00 10.00 O ATOM 500 OE2 GLU A 31 9.485 -7.728 3.042 1.00 10.00 O ATOM 0 H GLU A 31 5.160 -5.068 1.259 1.00 10.00 H new ATOM 0 HA GLU A 31 7.676 -4.514 0.074 1.00 10.00 H new ATOM 0 HB2 GLU A 31 6.221 -7.053 0.901 1.00 10.00 H new ATOM 0 HB3 GLU A 31 7.778 -7.129 0.100 1.00 10.00 H new ATOM 0 HG2 GLU A 31 8.723 -5.614 1.905 1.00 10.00 H new ATOM 0 HG3 GLU A 31 7.179 -5.694 2.730 1.00 10.00 H new ATOM 507 N LYS A 32 5.388 -5.855 -1.923 1.00 10.00 N ATOM 508 CA LYS A 32 5.132 -6.265 -3.311 1.00 10.00 C ATOM 509 C LYS A 32 5.380 -5.164 -4.354 1.00 10.00 C ATOM 510 O LYS A 32 5.734 -5.487 -5.487 1.00 10.00 O ATOM 511 CB LYS A 32 3.725 -6.884 -3.399 1.00 10.00 C ATOM 512 CG LYS A 32 2.581 -5.856 -3.354 1.00 10.00 C ATOM 513 CD LYS A 32 2.021 -5.428 -4.725 1.00 10.00 C ATOM 514 CE LYS A 32 1.467 -6.601 -5.556 1.00 10.00 C ATOM 515 NZ LYS A 32 2.422 -7.048 -6.604 1.00 10.00 N ATOM 0 H LYS A 32 4.565 -5.881 -1.321 1.00 10.00 H new ATOM 0 HA LYS A 32 5.870 -7.022 -3.577 1.00 10.00 H new ATOM 0 HB2 LYS A 32 3.649 -7.456 -4.324 1.00 10.00 H new ATOM 0 HB3 LYS A 32 3.598 -7.589 -2.577 1.00 10.00 H new ATOM 0 HG2 LYS A 32 1.766 -6.271 -2.761 1.00 10.00 H new ATOM 0 HG3 LYS A 32 2.935 -4.967 -2.832 1.00 10.00 H new ATOM 0 HD2 LYS A 32 1.229 -4.695 -4.572 1.00 10.00 H new ATOM 0 HD3 LYS A 32 2.809 -4.932 -5.292 1.00 10.00 H new ATOM 0 HE2 LYS A 32 1.239 -7.437 -4.894 1.00 10.00 H new ATOM 0 HE3 LYS A 32 0.530 -6.301 -6.025 1.00 10.00 H new ATOM 0 HZ1 LYS A 32 1.898 -7.490 -7.386 1.00 10.00 H new ATOM 0 HZ2 LYS A 32 2.952 -6.228 -6.963 1.00 10.00 H new ATOM 0 HZ3 LYS A 32 3.085 -7.738 -6.198 1.00 10.00 H new ATOM 529 N ILE A 33 5.221 -3.882 -3.996 1.00 10.00 N ATOM 530 CA ILE A 33 5.457 -2.753 -4.912 1.00 10.00 C ATOM 531 C ILE A 33 6.949 -2.403 -5.046 1.00 10.00 C ATOM 532 O ILE A 33 7.373 -1.951 -6.108 1.00 10.00 O ATOM 533 CB ILE A 33 4.577 -1.528 -4.566 1.00 10.00 C ATOM 534 CG1 ILE A 33 5.026 -0.699 -3.344 1.00 10.00 C ATOM 535 CG2 ILE A 33 3.115 -1.966 -4.374 1.00 10.00 C ATOM 536 CD1 ILE A 33 5.946 0.468 -3.723 1.00 10.00 C ATOM 0 H ILE A 33 4.925 -3.597 -3.063 1.00 10.00 H new ATOM 0 HA ILE A 33 5.142 -3.083 -5.902 1.00 10.00 H new ATOM 0 HB ILE A 33 4.689 -0.862 -5.422 1.00 10.00 H new ATOM 0 HG12 ILE A 33 4.146 -0.310 -2.831 1.00 10.00 H new ATOM 0 HG13 ILE A 33 5.544 -1.350 -2.640 1.00 10.00 H new ATOM 0 HG21 ILE A 33 2.504 -1.097 -4.131 1.00 10.00 H new ATOM 0 HG22 ILE A 33 2.748 -2.422 -5.294 1.00 10.00 H new ATOM 0 HG23 ILE A 33 3.056 -2.690 -3.561 1.00 10.00 H new ATOM 0 HD11 ILE A 33 6.229 1.015 -2.824 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.841 0.082 -4.210 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.422 1.138 -4.405 1.00 10.00 H new ATOM 548 N GLU A 34 7.775 -2.683 -4.028 1.00 10.00 N ATOM 549 CA GLU A 34 9.242 -2.594 -4.150 1.00 10.00 C ATOM 550 C GLU A 34 9.767 -3.571 -5.220 1.00 10.00 C ATOM 551 O GLU A 34 10.653 -3.214 -5.998 1.00 10.00 O ATOM 552 CB GLU A 34 9.920 -2.848 -2.791 1.00 10.00 C ATOM 553 CG GLU A 34 11.428 -2.542 -2.822 1.00 10.00 C ATOM 554 CD GLU A 34 12.141 -2.961 -1.522 1.00 10.00 C ATOM 555 OE1 GLU A 34 12.369 -4.180 -1.325 1.00 10.00 O ATOM 556 OE2 GLU A 34 12.511 -2.078 -0.709 1.00 10.00 O ATOM 0 H GLU A 34 7.453 -2.975 -3.105 1.00 10.00 H new ATOM 0 HA GLU A 34 9.494 -1.583 -4.469 1.00 10.00 H new ATOM 0 HB2 GLU A 34 9.443 -2.232 -2.029 1.00 10.00 H new ATOM 0 HB3 GLU A 34 9.769 -3.888 -2.501 1.00 10.00 H new ATOM 0 HG2 GLU A 34 11.883 -3.060 -3.666 1.00 10.00 H new ATOM 0 HG3 GLU A 34 11.576 -1.475 -2.986 1.00 10.00 H new ATOM 563 N SER A 35 9.172 -4.765 -5.335 1.00 10.00 N ATOM 564 CA SER A 35 9.503 -5.738 -6.392 1.00 10.00 C ATOM 565 C SER A 35 9.172 -5.247 -7.814 1.00 10.00 C ATOM 566 O SER A 35 9.730 -5.763 -8.785 1.00 10.00 O ATOM 567 CB SER A 35 8.783 -7.071 -6.147 1.00 10.00 C ATOM 568 OG SER A 35 9.090 -7.586 -4.859 1.00 10.00 O ATOM 0 H SER A 35 8.445 -5.088 -4.697 1.00 10.00 H new ATOM 0 HA SER A 35 10.584 -5.869 -6.337 1.00 10.00 H new ATOM 0 HB2 SER A 35 7.706 -6.929 -6.239 1.00 10.00 H new ATOM 0 HB3 SER A 35 9.076 -7.792 -6.910 1.00 10.00 H new ATOM 0 HG SER A 35 8.619 -8.435 -4.725 1.00 10.00 H new ATOM 574 N GLU A 36 8.280 -4.261 -7.958 1.00 10.00 N ATOM 575 CA GLU A 36 7.844 -3.699 -9.247 1.00 10.00 C ATOM 576 C GLU A 36 8.520 -2.363 -9.610 1.00 10.00 C ATOM 577 O GLU A 36 8.750 -2.099 -10.793 1.00 10.00 O ATOM 578 CB GLU A 36 6.323 -3.506 -9.220 1.00 10.00 C ATOM 579 CG GLU A 36 5.580 -4.851 -9.250 1.00 10.00 C ATOM 580 CD GLU A 36 4.053 -4.665 -9.274 1.00 10.00 C ATOM 581 OE1 GLU A 36 3.514 -4.116 -10.264 1.00 10.00 O ATOM 582 OE2 GLU A 36 3.378 -5.109 -8.311 1.00 10.00 O ATOM 0 H GLU A 36 7.827 -3.817 -7.159 1.00 10.00 H new ATOM 0 HA GLU A 36 8.144 -4.413 -10.014 1.00 10.00 H new ATOM 0 HB2 GLU A 36 6.042 -2.955 -8.323 1.00 10.00 H new ATOM 0 HB3 GLU A 36 6.017 -2.902 -10.074 1.00 10.00 H new ATOM 0 HG2 GLU A 36 5.890 -5.417 -10.128 1.00 10.00 H new ATOM 0 HG3 GLU A 36 5.860 -5.439 -8.376 1.00 10.00 H new ATOM 589 N LYS A 37 8.845 -1.525 -8.613 1.00 10.00 N ATOM 590 CA LYS A 37 9.305 -0.130 -8.800 1.00 10.00 C ATOM 591 C LYS A 37 10.688 0.164 -8.196 1.00 10.00 C ATOM 592 O LYS A 37 11.273 1.210 -8.479 1.00 10.00 O ATOM 593 CB LYS A 37 8.240 0.834 -8.246 1.00 10.00 C ATOM 594 CG LYS A 37 6.896 0.709 -8.981 1.00 10.00 C ATOM 595 CD LYS A 37 5.874 1.712 -8.432 1.00 10.00 C ATOM 596 CE LYS A 37 4.505 1.564 -9.116 1.00 10.00 C ATOM 597 NZ LYS A 37 4.511 2.019 -10.529 1.00 10.00 N ATOM 0 H LYS A 37 8.796 -1.799 -7.632 1.00 10.00 H new ATOM 0 HA LYS A 37 9.430 0.022 -9.872 1.00 10.00 H new ATOM 0 HB2 LYS A 37 8.090 0.635 -7.185 1.00 10.00 H new ATOM 0 HB3 LYS A 37 8.603 1.858 -8.330 1.00 10.00 H new ATOM 0 HG2 LYS A 37 7.043 0.881 -10.047 1.00 10.00 H new ATOM 0 HG3 LYS A 37 6.511 -0.305 -8.872 1.00 10.00 H new ATOM 0 HD2 LYS A 37 5.761 1.565 -7.358 1.00 10.00 H new ATOM 0 HD3 LYS A 37 6.246 2.726 -8.578 1.00 10.00 H new ATOM 0 HE2 LYS A 37 4.197 0.519 -9.078 1.00 10.00 H new ATOM 0 HE3 LYS A 37 3.763 2.136 -8.559 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 3.723 1.573 -11.041 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 4.404 3.053 -10.561 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 5.410 1.750 -10.977 1.00 10.00 H new ATOM 611 N GLY A 38 11.227 -0.775 -7.421 1.00 10.00 N ATOM 612 CA GLY A 38 12.598 -0.779 -6.899 1.00 10.00 C ATOM 613 C GLY A 38 12.790 0.006 -5.596 1.00 10.00 C ATOM 614 O GLY A 38 12.178 1.056 -5.373 1.00 10.00 O ATOM 0 H GLY A 38 10.697 -1.594 -7.124 1.00 10.00 H new ATOM 0 HA2 GLY A 38 12.906 -1.811 -6.734 1.00 10.00 H new ATOM 0 HA3 GLY A 38 13.262 -0.365 -7.658 1.00 10.00 H new ATOM 618 N LYS A 39 13.709 -0.472 -4.744 1.00 10.00 N ATOM 619 CA LYS A 39 14.081 0.187 -3.475 1.00 10.00 C ATOM 620 C LYS A 39 14.759 1.551 -3.665 1.00 10.00 C ATOM 621 O LYS A 39 14.782 2.363 -2.744 1.00 10.00 O ATOM 622 CB LYS A 39 14.904 -0.785 -2.606 1.00 10.00 C ATOM 623 CG LYS A 39 16.387 -0.954 -2.980 1.00 10.00 C ATOM 624 CD LYS A 39 17.301 -0.032 -2.156 1.00 10.00 C ATOM 625 CE LYS A 39 18.770 -0.289 -2.511 1.00 10.00 C ATOM 626 NZ LYS A 39 19.685 0.569 -1.713 1.00 10.00 N ATOM 0 H LYS A 39 14.223 -1.336 -4.915 1.00 10.00 H new ATOM 0 HA LYS A 39 13.161 0.426 -2.942 1.00 10.00 H new ATOM 0 HB2 LYS A 39 14.850 -0.447 -1.571 1.00 10.00 H new ATOM 0 HB3 LYS A 39 14.428 -1.765 -2.646 1.00 10.00 H new ATOM 0 HG2 LYS A 39 16.684 -1.991 -2.824 1.00 10.00 H new ATOM 0 HG3 LYS A 39 16.519 -0.741 -4.041 1.00 10.00 H new ATOM 0 HD2 LYS A 39 17.049 1.010 -2.351 1.00 10.00 H new ATOM 0 HD3 LYS A 39 17.141 -0.205 -1.092 1.00 10.00 H new ATOM 0 HE2 LYS A 39 19.009 -1.338 -2.336 1.00 10.00 H new ATOM 0 HE3 LYS A 39 18.927 -0.100 -3.573 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 20.670 0.368 -1.980 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 19.473 1.570 -1.899 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 19.553 0.370 -0.701 1.00 10.00 H new ATOM 640 N ASP A 40 15.268 1.825 -4.866 1.00 10.00 N ATOM 641 CA ASP A 40 15.830 3.124 -5.271 1.00 10.00 C ATOM 642 C ASP A 40 14.791 4.273 -5.265 1.00 10.00 C ATOM 643 O ASP A 40 15.169 5.444 -5.170 1.00 10.00 O ATOM 644 CB ASP A 40 16.458 2.961 -6.662 1.00 10.00 C ATOM 645 CG ASP A 40 17.241 4.207 -7.111 1.00 10.00 C ATOM 646 OD1 ASP A 40 18.291 4.516 -6.497 1.00 10.00 O ATOM 647 OD2 ASP A 40 16.831 4.860 -8.101 1.00 10.00 O ATOM 0 H ASP A 40 15.304 1.130 -5.612 1.00 10.00 H new ATOM 0 HA ASP A 40 16.583 3.413 -4.537 1.00 10.00 H new ATOM 0 HB2 ASP A 40 17.126 2.100 -6.655 1.00 10.00 H new ATOM 0 HB3 ASP A 40 15.673 2.750 -7.388 1.00 10.00 H new ATOM 652 N ALA A 41 13.493 3.944 -5.310 1.00 10.00 N ATOM 653 CA ALA A 41 12.381 4.904 -5.289 1.00 10.00 C ATOM 654 C ALA A 41 11.310 4.596 -4.220 1.00 10.00 C ATOM 655 O ALA A 41 10.616 5.516 -3.781 1.00 10.00 O ATOM 656 CB ALA A 41 11.776 4.952 -6.697 1.00 10.00 C ATOM 0 H ALA A 41 13.179 2.975 -5.364 1.00 10.00 H new ATOM 0 HA ALA A 41 12.774 5.880 -5.004 1.00 10.00 H new ATOM 0 HB1 ALA A 41 10.946 5.658 -6.712 1.00 10.00 H new ATOM 0 HB2 ALA A 41 12.537 5.271 -7.409 1.00 10.00 H new ATOM 0 HB3 ALA A 41 11.414 3.961 -6.972 1.00 10.00 H new ATOM 662 N PHE A 42 11.200 3.341 -3.764 1.00 10.00 N ATOM 663 CA PHE A 42 10.213 2.885 -2.773 1.00 10.00 C ATOM 664 C PHE A 42 10.833 1.891 -1.759 1.00 10.00 C ATOM 665 O PHE A 42 10.433 0.724 -1.714 1.00 10.00 O ATOM 666 CB PHE A 42 8.989 2.297 -3.502 1.00 10.00 C ATOM 667 CG PHE A 42 8.259 3.274 -4.407 1.00 10.00 C ATOM 668 CD1 PHE A 42 7.254 4.113 -3.886 1.00 10.00 C ATOM 669 CD2 PHE A 42 8.607 3.366 -5.768 1.00 10.00 C ATOM 670 CE1 PHE A 42 6.615 5.052 -4.719 1.00 10.00 C ATOM 671 CE2 PHE A 42 7.971 4.305 -6.600 1.00 10.00 C ATOM 672 CZ PHE A 42 6.979 5.152 -6.074 1.00 10.00 C ATOM 0 H PHE A 42 11.814 2.591 -4.084 1.00 10.00 H new ATOM 0 HA PHE A 42 9.881 3.739 -2.183 1.00 10.00 H new ATOM 0 HB2 PHE A 42 9.313 1.444 -4.098 1.00 10.00 H new ATOM 0 HB3 PHE A 42 8.288 1.918 -2.758 1.00 10.00 H new ATOM 0 HD1 PHE A 42 6.973 4.036 -2.846 1.00 10.00 H new ATOM 0 HD2 PHE A 42 9.365 2.713 -6.175 1.00 10.00 H new ATOM 0 HE1 PHE A 42 5.846 5.695 -4.317 1.00 10.00 H new ATOM 0 HE2 PHE A 42 8.244 4.376 -7.642 1.00 10.00 H new ATOM 0 HZ PHE A 42 6.497 5.879 -6.710 1.00 10.00 H new ATOM 682 N PRO A 43 11.835 2.308 -0.959 1.00 10.00 N ATOM 683 CA PRO A 43 12.525 1.430 -0.012 1.00 10.00 C ATOM 684 C PRO A 43 11.585 0.955 1.103 1.00 10.00 C ATOM 685 O PRO A 43 10.972 1.770 1.791 1.00 10.00 O ATOM 686 CB PRO A 43 13.701 2.242 0.537 1.00 10.00 C ATOM 687 CG PRO A 43 13.219 3.682 0.406 1.00 10.00 C ATOM 688 CD PRO A 43 12.346 3.668 -0.845 1.00 10.00 C ATOM 0 HA PRO A 43 12.876 0.520 -0.499 1.00 10.00 H new ATOM 0 HB2 PRO A 43 13.921 1.983 1.573 1.00 10.00 H new ATOM 0 HB3 PRO A 43 14.612 2.069 -0.035 1.00 10.00 H new ATOM 0 HG2 PRO A 43 12.653 3.995 1.284 1.00 10.00 H new ATOM 0 HG3 PRO A 43 14.054 4.374 0.302 1.00 10.00 H new ATOM 0 HD2 PRO A 43 11.530 4.386 -0.760 1.00 10.00 H new ATOM 0 HD3 PRO A 43 12.923 3.944 -1.727 1.00 10.00 H new ATOM 696 N VAL A 44 11.477 -0.357 1.316 1.00 10.00 N ATOM 697 CA VAL A 44 10.572 -0.969 2.317 1.00 10.00 C ATOM 698 C VAL A 44 10.798 -0.453 3.744 1.00 10.00 C ATOM 699 O VAL A 44 9.830 -0.195 4.464 1.00 10.00 O ATOM 700 CB VAL A 44 10.667 -2.508 2.238 1.00 10.00 C ATOM 701 CG1 VAL A 44 10.172 -3.254 3.485 1.00 10.00 C ATOM 702 CG2 VAL A 44 9.821 -2.982 1.052 1.00 10.00 C ATOM 0 H VAL A 44 12.021 -1.044 0.794 1.00 10.00 H new ATOM 0 HA VAL A 44 9.557 -0.663 2.065 1.00 10.00 H new ATOM 0 HB VAL A 44 11.728 -2.736 2.137 1.00 10.00 H new ATOM 0 HG11 VAL A 44 10.279 -4.328 3.333 1.00 10.00 H new ATOM 0 HG12 VAL A 44 10.762 -2.949 4.349 1.00 10.00 H new ATOM 0 HG13 VAL A 44 9.123 -3.015 3.659 1.00 10.00 H new ATOM 0 HG21 VAL A 44 9.874 -4.068 0.978 1.00 10.00 H new ATOM 0 HG22 VAL A 44 8.785 -2.679 1.200 1.00 10.00 H new ATOM 0 HG23 VAL A 44 10.201 -2.537 0.133 1.00 10.00 H new ATOM 712 N ALA A 45 12.058 -0.243 4.126 1.00 10.00 N ATOM 713 CA ALA A 45 12.462 0.316 5.420 1.00 10.00 C ATOM 714 C ALA A 45 12.224 1.838 5.560 1.00 10.00 C ATOM 715 O ALA A 45 12.445 2.398 6.640 1.00 10.00 O ATOM 716 CB ALA A 45 13.945 -0.014 5.611 1.00 10.00 C ATOM 0 H ALA A 45 12.852 -0.464 3.525 1.00 10.00 H new ATOM 0 HA ALA A 45 11.838 -0.132 6.193 1.00 10.00 H new ATOM 0 HB1 ALA A 45 14.287 0.386 6.566 1.00 10.00 H new ATOM 0 HB2 ALA A 45 14.081 -1.095 5.601 1.00 10.00 H new ATOM 0 HB3 ALA A 45 14.524 0.432 4.803 1.00 10.00 H new ATOM 722 N GLY A 46 11.796 2.518 4.489 1.00 10.00 N ATOM 723 CA GLY A 46 11.659 3.974 4.406 1.00 10.00 C ATOM 724 C GLY A 46 10.388 4.440 3.693 1.00 10.00 C ATOM 725 O GLY A 46 10.349 5.586 3.242 1.00 10.00 O ATOM 0 H GLY A 46 11.526 2.049 3.624 1.00 10.00 H new ATOM 0 HA2 GLY A 46 11.670 4.388 5.414 1.00 10.00 H new ATOM 0 HA3 GLY A 46 12.526 4.381 3.885 1.00 10.00 H new ATOM 729 N GLN A 47 9.352 3.587 3.602 1.00 10.00 N ATOM 730 CA GLN A 47 8.042 3.955 3.044 1.00 10.00 C ATOM 731 C GLN A 47 6.863 3.704 4.007 1.00 10.00 C ATOM 732 O GLN A 47 6.901 2.802 4.849 1.00 10.00 O ATOM 733 CB GLN A 47 7.823 3.322 1.652 1.00 10.00 C ATOM 734 CG GLN A 47 7.513 1.820 1.653 1.00 10.00 C ATOM 735 CD GLN A 47 7.000 1.341 0.296 1.00 10.00 C ATOM 736 OE1 GLN A 47 5.932 1.725 -0.159 1.00 10.00 O ATOM 737 NE2 GLN A 47 7.695 0.454 -0.385 1.00 10.00 N ATOM 0 H GLN A 47 9.402 2.618 3.916 1.00 10.00 H new ATOM 0 HA GLN A 47 8.062 5.036 2.909 1.00 10.00 H new ATOM 0 HB2 GLN A 47 7.003 3.844 1.159 1.00 10.00 H new ATOM 0 HB3 GLN A 47 8.716 3.491 1.050 1.00 10.00 H new ATOM 0 HG2 GLN A 47 8.413 1.264 1.917 1.00 10.00 H new ATOM 0 HG3 GLN A 47 6.768 1.604 2.419 1.00 10.00 H new ATOM 0 HE21 GLN A 47 8.589 0.120 -0.024 1.00 10.00 H new ATOM 0 HE22 GLN A 47 7.340 0.101 -1.274 1.00 10.00 H new ATOM 746 N LYS A 48 5.810 4.518 3.851 1.00 10.00 N ATOM 747 CA LYS A 48 4.634 4.658 4.726 1.00 10.00 C ATOM 748 C LYS A 48 3.353 4.823 3.888 1.00 10.00 C ATOM 749 O LYS A 48 3.422 5.200 2.717 1.00 10.00 O ATOM 750 CB LYS A 48 4.894 5.871 5.641 1.00 10.00 C ATOM 751 CG LYS A 48 3.881 6.018 6.784 1.00 10.00 C ATOM 752 CD LYS A 48 4.314 7.151 7.726 1.00 10.00 C ATOM 753 CE LYS A 48 3.360 7.331 8.917 1.00 10.00 C ATOM 754 NZ LYS A 48 3.481 6.230 9.911 1.00 10.00 N ATOM 0 H LYS A 48 5.752 5.145 3.048 1.00 10.00 H new ATOM 0 HA LYS A 48 4.483 3.766 5.334 1.00 10.00 H new ATOM 0 HB2 LYS A 48 5.895 5.786 6.065 1.00 10.00 H new ATOM 0 HB3 LYS A 48 4.880 6.778 5.037 1.00 10.00 H new ATOM 0 HG2 LYS A 48 2.891 6.229 6.379 1.00 10.00 H new ATOM 0 HG3 LYS A 48 3.806 5.082 7.338 1.00 10.00 H new ATOM 0 HD2 LYS A 48 5.318 6.945 8.098 1.00 10.00 H new ATOM 0 HD3 LYS A 48 4.367 8.084 7.165 1.00 10.00 H new ATOM 0 HE2 LYS A 48 3.568 8.283 9.406 1.00 10.00 H new ATOM 0 HE3 LYS A 48 2.334 7.378 8.553 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 2.818 6.396 10.695 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 3.257 5.323 9.454 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 4.453 6.200 10.280 1.00 10.00 H new ATOM 768 N LEU A 49 2.192 4.524 4.472 1.00 10.00 N ATOM 769 CA LEU A 49 0.900 4.428 3.776 1.00 10.00 C ATOM 770 C LEU A 49 -0.266 5.084 4.544 1.00 10.00 C ATOM 771 O LEU A 49 -0.311 5.088 5.777 1.00 10.00 O ATOM 772 CB LEU A 49 0.575 2.948 3.475 1.00 10.00 C ATOM 773 CG LEU A 49 1.469 2.290 2.404 1.00 10.00 C ATOM 774 CD1 LEU A 49 2.674 1.542 2.985 1.00 10.00 C ATOM 775 CD2 LEU A 49 0.667 1.256 1.613 1.00 10.00 C ATOM 0 H LEU A 49 2.118 4.336 5.472 1.00 10.00 H new ATOM 0 HA LEU A 49 1.005 4.988 2.847 1.00 10.00 H new ATOM 0 HB2 LEU A 49 0.661 2.377 4.400 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -0.464 2.878 3.153 1.00 10.00 H new ATOM 0 HG LEU A 49 1.824 3.113 1.784 1.00 10.00 H new ATOM 0 HD11 LEU A 49 3.257 1.105 2.174 1.00 10.00 H new ATOM 0 HD12 LEU A 49 3.298 2.238 3.546 1.00 10.00 H new ATOM 0 HD13 LEU A 49 2.326 0.750 3.648 1.00 10.00 H new ATOM 0 HD21 LEU A 49 1.308 0.798 0.860 1.00 10.00 H new ATOM 0 HD22 LEU A 49 0.296 0.487 2.291 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -0.175 1.745 1.124 1.00 10.00 H new ATOM 787 N ILE A 50 -1.243 5.581 3.779 1.00 10.00 N ATOM 788 CA ILE A 50 -2.486 6.241 4.222 1.00 10.00 C ATOM 789 C ILE A 50 -3.670 5.669 3.433 1.00 10.00 C ATOM 790 O ILE A 50 -3.564 5.467 2.224 1.00 10.00 O ATOM 791 CB ILE A 50 -2.369 7.774 3.987 1.00 10.00 C ATOM 792 CG1 ILE A 50 -1.542 8.490 5.078 1.00 10.00 C ATOM 793 CG2 ILE A 50 -3.726 8.493 3.826 1.00 10.00 C ATOM 794 CD1 ILE A 50 -2.254 8.660 6.428 1.00 10.00 C ATOM 0 H ILE A 50 -1.187 5.532 2.762 1.00 10.00 H new ATOM 0 HA ILE A 50 -2.646 6.059 5.285 1.00 10.00 H new ATOM 0 HB ILE A 50 -1.840 7.845 3.036 1.00 10.00 H new ATOM 0 HG12 ILE A 50 -0.620 7.931 5.239 1.00 10.00 H new ATOM 0 HG13 ILE A 50 -1.257 9.475 4.708 1.00 10.00 H new ATOM 0 HG21 ILE A 50 -3.557 9.558 3.666 1.00 10.00 H new ATOM 0 HG22 ILE A 50 -4.259 8.078 2.971 1.00 10.00 H new ATOM 0 HG23 ILE A 50 -4.322 8.352 4.728 1.00 10.00 H new ATOM 0 HD11 ILE A 50 -1.592 9.173 7.126 1.00 10.00 H new ATOM 0 HD12 ILE A 50 -3.161 9.248 6.289 1.00 10.00 H new ATOM 0 HD13 ILE A 50 -2.514 7.680 6.828 1.00 10.00 H new ATOM 806 N TYR A 51 -4.831 5.504 4.072 1.00 10.00 N ATOM 807 CA TYR A 51 -6.091 5.150 3.406 1.00 10.00 C ATOM 808 C TYR A 51 -7.194 6.163 3.738 1.00 10.00 C ATOM 809 O TYR A 51 -7.876 6.062 4.758 1.00 10.00 O ATOM 810 CB TYR A 51 -6.485 3.699 3.721 1.00 10.00 C ATOM 811 CG TYR A 51 -7.806 3.270 3.101 1.00 10.00 C ATOM 812 CD1 TYR A 51 -8.052 3.482 1.729 1.00 10.00 C ATOM 813 CD2 TYR A 51 -8.802 2.688 3.905 1.00 10.00 C ATOM 814 CE1 TYR A 51 -9.304 3.158 1.171 1.00 10.00 C ATOM 815 CE2 TYR A 51 -10.054 2.360 3.353 1.00 10.00 C ATOM 816 CZ TYR A 51 -10.315 2.610 1.989 1.00 10.00 C ATOM 817 OH TYR A 51 -11.530 2.297 1.470 1.00 10.00 O ATOM 0 H TYR A 51 -4.925 5.614 5.082 1.00 10.00 H new ATOM 0 HA TYR A 51 -5.946 5.203 2.327 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -5.697 3.034 3.368 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -6.546 3.576 4.802 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -7.276 3.895 1.102 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -8.606 2.492 4.949 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -9.490 3.328 0.121 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -10.817 1.916 3.975 1.00 10.00 H new ATOM 0 HH TYR A 51 -12.102 1.930 2.176 1.00 10.00 H new ATOM 827 N ALA A 52 -7.334 7.174 2.870 1.00 10.00 N ATOM 828 CA ALA A 52 -8.405 8.182 2.873 1.00 10.00 C ATOM 829 C ALA A 52 -8.638 8.933 4.213 1.00 10.00 C ATOM 830 O ALA A 52 -9.734 9.455 4.447 1.00 10.00 O ATOM 831 CB ALA A 52 -9.671 7.518 2.305 1.00 10.00 C ATOM 0 H ALA A 52 -6.671 7.319 2.109 1.00 10.00 H new ATOM 0 HA ALA A 52 -8.087 9.006 2.234 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -10.487 8.241 2.293 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -9.477 7.174 1.289 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.948 6.668 2.929 1.00 10.00 H new ATOM 837 N GLY A 53 -7.633 8.989 5.100 1.00 10.00 N ATOM 838 CA GLY A 53 -7.712 9.653 6.411 1.00 10.00 C ATOM 839 C GLY A 53 -7.203 8.829 7.605 1.00 10.00 C ATOM 840 O GLY A 53 -7.172 9.355 8.721 1.00 10.00 O ATOM 0 H GLY A 53 -6.723 8.565 4.922 1.00 10.00 H new ATOM 0 HA2 GLY A 53 -7.142 10.581 6.363 1.00 10.00 H new ATOM 0 HA3 GLY A 53 -8.750 9.927 6.598 1.00 10.00 H new ATOM 844 N LYS A 54 -6.790 7.567 7.399 1.00 10.00 N ATOM 845 CA LYS A 54 -6.260 6.668 8.446 1.00 10.00 C ATOM 846 C LYS A 54 -4.868 6.144 8.082 1.00 10.00 C ATOM 847 O LYS A 54 -4.539 6.043 6.899 1.00 10.00 O ATOM 848 CB LYS A 54 -7.278 5.542 8.729 1.00 10.00 C ATOM 849 CG LYS A 54 -7.207 4.364 7.739 1.00 10.00 C ATOM 850 CD LYS A 54 -8.423 3.428 7.799 1.00 10.00 C ATOM 851 CE LYS A 54 -9.664 4.034 7.132 1.00 10.00 C ATOM 852 NZ LYS A 54 -10.787 3.055 7.094 1.00 10.00 N ATOM 0 H LYS A 54 -6.815 7.130 6.478 1.00 10.00 H new ATOM 0 HA LYS A 54 -6.128 7.230 9.371 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -7.114 5.164 9.738 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -8.284 5.962 8.705 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -7.113 4.758 6.727 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -6.305 3.786 7.941 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -8.176 2.485 7.311 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -8.650 3.198 8.840 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -9.974 4.926 7.676 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -9.418 4.349 6.118 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -11.513 3.386 6.427 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -10.430 2.128 6.785 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -11.203 2.967 8.043 1.00 10.00 H new ATOM 866 N ILE A 55 -4.066 5.795 9.088 1.00 10.00 N ATOM 867 CA ILE A 55 -2.651 5.423 8.927 1.00 10.00 C ATOM 868 C ILE A 55 -2.550 3.892 8.941 1.00 10.00 C ATOM 869 O ILE A 55 -2.976 3.237 9.894 1.00 10.00 O ATOM 870 CB ILE A 55 -1.775 6.055 10.043 1.00 10.00 C ATOM 871 CG1 ILE A 55 -1.611 7.595 9.953 1.00 10.00 C ATOM 872 CG2 ILE A 55 -0.345 5.478 10.014 1.00 10.00 C ATOM 873 CD1 ILE A 55 -2.882 8.436 10.115 1.00 10.00 C ATOM 0 H ILE A 55 -4.382 5.761 10.057 1.00 10.00 H new ATOM 0 HA ILE A 55 -2.275 5.806 7.978 1.00 10.00 H new ATOM 0 HB ILE A 55 -2.315 5.811 10.958 1.00 10.00 H new ATOM 0 HG12 ILE A 55 -0.898 7.906 10.717 1.00 10.00 H new ATOM 0 HG13 ILE A 55 -1.167 7.833 8.987 1.00 10.00 H new ATOM 0 HG21 ILE A 55 0.248 5.937 10.805 1.00 10.00 H new ATOM 0 HG22 ILE A 55 -0.385 4.400 10.169 1.00 10.00 H new ATOM 0 HG23 ILE A 55 0.113 5.689 9.048 1.00 10.00 H new ATOM 0 HD11 ILE A 55 -2.632 9.494 10.032 1.00 10.00 H new ATOM 0 HD12 ILE A 55 -3.596 8.170 9.336 1.00 10.00 H new ATOM 0 HD13 ILE A 55 -3.323 8.244 11.093 1.00 10.00 H new ATOM 885 N LEU A 56 -1.984 3.329 7.872 1.00 10.00 N ATOM 886 CA LEU A 56 -1.752 1.890 7.709 1.00 10.00 C ATOM 887 C LEU A 56 -0.490 1.432 8.470 1.00 10.00 C ATOM 888 O LEU A 56 0.499 2.163 8.552 1.00 10.00 O ATOM 889 CB LEU A 56 -1.662 1.592 6.197 1.00 10.00 C ATOM 890 CG LEU A 56 -2.967 1.068 5.572 1.00 10.00 C ATOM 891 CD1 LEU A 56 -4.156 2.009 5.770 1.00 10.00 C ATOM 892 CD2 LEU A 56 -2.757 0.870 4.070 1.00 10.00 C ATOM 0 H LEU A 56 -1.665 3.876 7.072 1.00 10.00 H new ATOM 0 HA LEU A 56 -2.578 1.325 8.141 1.00 10.00 H new ATOM 0 HB2 LEU A 56 -1.365 2.503 5.677 1.00 10.00 H new ATOM 0 HB3 LEU A 56 -0.874 0.858 6.030 1.00 10.00 H new ATOM 0 HG LEU A 56 -3.202 0.132 6.078 1.00 10.00 H new ATOM 0 HD11 LEU A 56 -5.043 1.578 5.305 1.00 10.00 H new ATOM 0 HD12 LEU A 56 -4.337 2.148 6.836 1.00 10.00 H new ATOM 0 HD13 LEU A 56 -3.938 2.973 5.311 1.00 10.00 H new ATOM 0 HD21 LEU A 56 -3.678 0.499 3.620 1.00 10.00 H new ATOM 0 HD22 LEU A 56 -2.487 1.821 3.612 1.00 10.00 H new ATOM 0 HD23 LEU A 56 -1.956 0.149 3.907 1.00 10.00 H new ATOM 904 N ASN A 57 -0.520 0.206 9.009 1.00 10.00 N ATOM 905 CA ASN A 57 0.499 -0.340 9.914 1.00 10.00 C ATOM 906 C ASN A 57 1.000 -1.735 9.501 1.00 10.00 C ATOM 907 O ASN A 57 0.209 -2.644 9.241 1.00 10.00 O ATOM 908 CB ASN A 57 -0.120 -0.407 11.315 1.00 10.00 C ATOM 909 CG ASN A 57 0.874 -0.935 12.335 1.00 10.00 C ATOM 910 OD1 ASN A 57 1.985 -0.441 12.468 1.00 10.00 O ATOM 911 ND2 ASN A 57 0.533 -1.992 13.026 1.00 10.00 N ATOM 0 H ASN A 57 -1.276 -0.452 8.822 1.00 10.00 H new ATOM 0 HA ASN A 57 1.371 0.313 9.881 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -0.457 0.586 11.613 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -1.000 -1.050 11.295 1.00 10.00 H new ATOM 0 HD21 ASN A 57 1.195 -2.409 13.680 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -0.395 -2.399 12.911 1.00 10.00 H new ATOM 918 N ASP A 58 2.321 -1.920 9.517 1.00 10.00 N ATOM 919 CA ASP A 58 3.050 -3.098 9.021 1.00 10.00 C ATOM 920 C ASP A 58 2.642 -4.450 9.642 1.00 10.00 C ATOM 921 O ASP A 58 2.822 -5.482 8.998 1.00 10.00 O ATOM 922 CB ASP A 58 4.559 -2.881 9.242 1.00 10.00 C ATOM 923 CG ASP A 58 5.093 -1.579 8.623 1.00 10.00 C ATOM 924 OD1 ASP A 58 4.833 -0.490 9.187 1.00 10.00 O ATOM 925 OD2 ASP A 58 5.790 -1.639 7.582 1.00 10.00 O ATOM 0 H ASP A 58 2.951 -1.214 9.897 1.00 10.00 H new ATOM 0 HA ASP A 58 2.788 -3.176 7.966 1.00 10.00 H new ATOM 0 HB2 ASP A 58 4.763 -2.874 10.313 1.00 10.00 H new ATOM 0 HB3 ASP A 58 5.104 -3.725 8.819 1.00 10.00 H new ATOM 930 N ASP A 59 2.067 -4.465 10.852 1.00 10.00 N ATOM 931 CA ASP A 59 1.668 -5.684 11.582 1.00 10.00 C ATOM 932 C ASP A 59 0.151 -5.774 11.863 1.00 10.00 C ATOM 933 O ASP A 59 -0.297 -6.615 12.647 1.00 10.00 O ATOM 934 CB ASP A 59 2.550 -5.880 12.830 1.00 10.00 C ATOM 935 CG ASP A 59 2.196 -4.966 14.016 1.00 10.00 C ATOM 936 OD1 ASP A 59 2.485 -3.747 13.950 1.00 10.00 O ATOM 937 OD2 ASP A 59 1.666 -5.463 15.039 1.00 10.00 O ATOM 0 H ASP A 59 1.859 -3.609 11.367 1.00 10.00 H new ATOM 0 HA ASP A 59 1.852 -6.533 10.923 1.00 10.00 H new ATOM 0 HB2 ASP A 59 2.473 -6.918 13.153 1.00 10.00 H new ATOM 0 HB3 ASP A 59 3.590 -5.708 12.554 1.00 10.00 H new ATOM 942 N THR A 60 -0.655 -4.951 11.181 1.00 10.00 N ATOM 943 CA THR A 60 -2.132 -4.957 11.230 1.00 10.00 C ATOM 944 C THR A 60 -2.687 -5.467 9.897 1.00 10.00 C ATOM 945 O THR A 60 -2.207 -5.066 8.832 1.00 10.00 O ATOM 946 CB THR A 60 -2.642 -3.535 11.521 1.00 10.00 C ATOM 947 OG1 THR A 60 -2.129 -3.087 12.761 1.00 10.00 O ATOM 948 CG2 THR A 60 -4.162 -3.414 11.607 1.00 10.00 C ATOM 0 H THR A 60 -0.288 -4.234 10.555 1.00 10.00 H new ATOM 0 HA THR A 60 -2.472 -5.620 12.026 1.00 10.00 H new ATOM 0 HB THR A 60 -2.300 -2.935 10.677 1.00 10.00 H new ATOM 0 HG1 THR A 60 -2.455 -2.181 12.942 1.00 10.00 H new ATOM 0 HG21 THR A 60 -4.433 -2.379 11.815 1.00 10.00 H new ATOM 0 HG22 THR A 60 -4.606 -3.723 10.660 1.00 10.00 H new ATOM 0 HG23 THR A 60 -4.533 -4.054 12.407 1.00 10.00 H new ATOM 956 N ALA A 61 -3.664 -6.379 9.933 1.00 10.00 N ATOM 957 CA ALA A 61 -4.218 -7.012 8.733 1.00 10.00 C ATOM 958 C ALA A 61 -5.048 -6.028 7.890 1.00 10.00 C ATOM 959 O ALA A 61 -5.784 -5.194 8.421 1.00 10.00 O ATOM 960 CB ALA A 61 -5.021 -8.249 9.141 1.00 10.00 C ATOM 0 H ALA A 61 -4.094 -6.700 10.800 1.00 10.00 H new ATOM 0 HA ALA A 61 -3.397 -7.327 8.089 1.00 10.00 H new ATOM 0 HB1 ALA A 61 -5.435 -8.724 8.251 1.00 10.00 H new ATOM 0 HB2 ALA A 61 -4.368 -8.953 9.657 1.00 10.00 H new ATOM 0 HB3 ALA A 61 -5.833 -7.953 9.806 1.00 10.00 H new ATOM 966 N LEU A 62 -4.952 -6.129 6.562 1.00 10.00 N ATOM 967 CA LEU A 62 -5.524 -5.153 5.619 1.00 10.00 C ATOM 968 C LEU A 62 -7.049 -4.990 5.750 1.00 10.00 C ATOM 969 O LEU A 62 -7.555 -3.868 5.680 1.00 10.00 O ATOM 970 CB LEU A 62 -5.110 -5.550 4.195 1.00 10.00 C ATOM 971 CG LEU A 62 -3.603 -5.349 3.946 1.00 10.00 C ATOM 972 CD1 LEU A 62 -3.149 -6.172 2.750 1.00 10.00 C ATOM 973 CD2 LEU A 62 -3.290 -3.875 3.680 1.00 10.00 C ATOM 0 H LEU A 62 -4.469 -6.900 6.101 1.00 10.00 H new ATOM 0 HA LEU A 62 -5.123 -4.169 5.863 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -5.368 -6.595 4.022 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -5.677 -4.958 3.476 1.00 10.00 H new ATOM 0 HG LEU A 62 -3.071 -5.676 4.840 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -2.082 -6.019 2.587 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -3.339 -7.228 2.942 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -3.700 -5.859 1.863 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -2.220 -3.756 3.507 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -3.840 -3.539 2.801 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -3.587 -3.279 4.543 1.00 10.00 H new ATOM 985 N LYS A 63 -7.787 -6.077 6.018 1.00 10.00 N ATOM 986 CA LYS A 63 -9.238 -6.029 6.281 1.00 10.00 C ATOM 987 C LYS A 63 -9.638 -5.252 7.547 1.00 10.00 C ATOM 988 O LYS A 63 -10.776 -4.796 7.629 1.00 10.00 O ATOM 989 CB LYS A 63 -9.856 -7.441 6.219 1.00 10.00 C ATOM 990 CG LYS A 63 -9.885 -8.269 7.516 1.00 10.00 C ATOM 991 CD LYS A 63 -8.517 -8.552 8.153 1.00 10.00 C ATOM 992 CE LYS A 63 -8.633 -9.168 9.562 1.00 10.00 C ATOM 993 NZ LYS A 63 -9.479 -10.392 9.617 1.00 10.00 N ATOM 0 H LYS A 63 -7.396 -7.018 6.059 1.00 10.00 H new ATOM 0 HA LYS A 63 -9.669 -5.437 5.473 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -10.881 -7.343 5.861 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -9.310 -8.013 5.469 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -10.504 -7.747 8.245 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -10.373 -9.221 7.307 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -7.954 -9.229 7.510 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -7.949 -7.623 8.212 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -7.634 -9.412 9.925 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -9.046 -8.422 10.241 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -9.469 -10.778 10.583 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -10.455 -10.152 9.350 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -9.105 -11.103 8.957 1.00 10.00 H new ATOM 1007 N GLU A 64 -8.728 -5.032 8.504 1.00 10.00 N ATOM 1008 CA GLU A 64 -8.991 -4.193 9.690 1.00 10.00 C ATOM 1009 C GLU A 64 -9.071 -2.699 9.324 1.00 10.00 C ATOM 1010 O GLU A 64 -9.725 -1.919 10.021 1.00 10.00 O ATOM 1011 CB GLU A 64 -7.919 -4.403 10.776 1.00 10.00 C ATOM 1012 CG GLU A 64 -7.816 -5.861 11.248 1.00 10.00 C ATOM 1013 CD GLU A 64 -6.776 -6.023 12.376 1.00 10.00 C ATOM 1014 OE1 GLU A 64 -7.081 -5.663 13.540 1.00 10.00 O ATOM 1015 OE2 GLU A 64 -5.659 -6.535 12.114 1.00 10.00 O ATOM 0 H GLU A 64 -7.788 -5.428 8.482 1.00 10.00 H new ATOM 0 HA GLU A 64 -9.958 -4.505 10.085 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -6.951 -4.084 10.389 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -8.147 -3.766 11.631 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -8.791 -6.199 11.600 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -7.542 -6.498 10.407 1.00 10.00 H new ATOM 1022 N TYR A 65 -8.465 -2.311 8.196 1.00 10.00 N ATOM 1023 CA TYR A 65 -8.577 -0.970 7.602 1.00 10.00 C ATOM 1024 C TYR A 65 -9.789 -0.812 6.664 1.00 10.00 C ATOM 1025 O TYR A 65 -10.077 0.304 6.220 1.00 10.00 O ATOM 1026 CB TYR A 65 -7.254 -0.617 6.901 1.00 10.00 C ATOM 1027 CG TYR A 65 -6.107 -0.447 7.881 1.00 10.00 C ATOM 1028 CD1 TYR A 65 -6.160 0.598 8.821 1.00 10.00 C ATOM 1029 CD2 TYR A 65 -5.020 -1.347 7.901 1.00 10.00 C ATOM 1030 CE1 TYR A 65 -5.154 0.743 9.784 1.00 10.00 C ATOM 1031 CE2 TYR A 65 -4.007 -1.207 8.861 1.00 10.00 C ATOM 1032 CZ TYR A 65 -4.081 -0.165 9.812 1.00 10.00 C ATOM 1033 OH TYR A 65 -3.124 -0.024 10.757 1.00 10.00 O ATOM 0 H TYR A 65 -7.867 -2.936 7.655 1.00 10.00 H new ATOM 0 HA TYR A 65 -8.760 -0.261 8.410 1.00 10.00 H new ATOM 0 HB2 TYR A 65 -7.004 -1.401 6.186 1.00 10.00 H new ATOM 0 HB3 TYR A 65 -7.382 0.304 6.332 1.00 10.00 H new ATOM 0 HD1 TYR A 65 -6.985 1.295 8.800 1.00 10.00 H new ATOM 0 HD2 TYR A 65 -4.968 -2.145 7.175 1.00 10.00 H new ATOM 0 HE1 TYR A 65 -5.202 1.548 10.502 1.00 10.00 H new ATOM 0 HE2 TYR A 65 -3.173 -1.893 8.873 1.00 10.00 H new ATOM 0 HH TYR A 65 -3.442 -0.402 11.603 1.00 10.00 H new ATOM 1043 N LYS A 66 -10.532 -1.906 6.414 1.00 10.00 N ATOM 1044 CA LYS A 66 -11.740 -1.993 5.565 1.00 10.00 C ATOM 1045 C LYS A 66 -11.562 -1.358 4.174 1.00 10.00 C ATOM 1046 O LYS A 66 -12.431 -0.628 3.692 1.00 10.00 O ATOM 1047 CB LYS A 66 -12.970 -1.480 6.344 1.00 10.00 C ATOM 1048 CG LYS A 66 -13.235 -2.297 7.624 1.00 10.00 C ATOM 1049 CD LYS A 66 -14.527 -1.888 8.348 1.00 10.00 C ATOM 1050 CE LYS A 66 -14.452 -0.462 8.907 1.00 10.00 C ATOM 1051 NZ LYS A 66 -15.681 -0.109 9.668 1.00 10.00 N ATOM 0 H LYS A 66 -10.292 -2.809 6.823 1.00 10.00 H new ATOM 0 HA LYS A 66 -11.917 -3.044 5.336 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -12.819 -0.433 6.609 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -13.849 -1.523 5.700 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -13.290 -3.355 7.367 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -12.392 -2.178 8.304 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -15.367 -1.962 7.658 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -14.721 -2.586 9.162 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -13.582 -0.370 9.557 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -14.314 0.244 8.088 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -15.597 0.862 10.032 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -16.508 -0.173 9.041 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -15.798 -0.768 10.464 1.00 10.00 H new ATOM 1065 N ILE A 67 -10.408 -1.610 3.547 1.00 10.00 N ATOM 1066 CA ILE A 67 -10.037 -1.088 2.224 1.00 10.00 C ATOM 1067 C ILE A 67 -11.019 -1.583 1.144 1.00 10.00 C ATOM 1068 O ILE A 67 -11.522 -2.707 1.206 1.00 10.00 O ATOM 1069 CB ILE A 67 -8.560 -1.418 1.915 1.00 10.00 C ATOM 1070 CG1 ILE A 67 -7.669 -0.823 3.033 1.00 10.00 C ATOM 1071 CG2 ILE A 67 -8.143 -0.870 0.533 1.00 10.00 C ATOM 1072 CD1 ILE A 67 -6.170 -1.029 2.840 1.00 10.00 C ATOM 0 H ILE A 67 -9.684 -2.200 3.957 1.00 10.00 H new ATOM 0 HA ILE A 67 -10.118 -0.001 2.225 1.00 10.00 H new ATOM 0 HB ILE A 67 -8.434 -2.500 1.884 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -7.867 0.246 3.105 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -7.962 -1.266 3.985 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -7.099 -1.118 0.343 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -8.768 -1.318 -0.240 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -8.268 0.213 0.518 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.631 -0.578 3.673 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -5.951 -2.096 2.801 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -5.855 -0.560 1.908 1.00 10.00 H new ATOM 1084 N ASP A 68 -11.270 -0.741 0.142 1.00 10.00 N ATOM 1085 CA ASP A 68 -12.237 -0.957 -0.937 1.00 10.00 C ATOM 1086 C ASP A 68 -11.600 -0.701 -2.313 1.00 10.00 C ATOM 1087 O ASP A 68 -10.874 0.275 -2.510 1.00 10.00 O ATOM 1088 CB ASP A 68 -13.452 -0.052 -0.700 1.00 10.00 C ATOM 1089 CG ASP A 68 -14.386 -0.036 -1.911 1.00 10.00 C ATOM 1090 OD1 ASP A 68 -15.198 -0.975 -2.069 1.00 10.00 O ATOM 1091 OD2 ASP A 68 -14.254 0.907 -2.725 1.00 10.00 O ATOM 0 H ASP A 68 -10.783 0.151 0.055 1.00 10.00 H new ATOM 0 HA ASP A 68 -12.562 -1.998 -0.933 1.00 10.00 H new ATOM 0 HB2 ASP A 68 -13.999 -0.398 0.177 1.00 10.00 H new ATOM 0 HB3 ASP A 68 -13.115 0.962 -0.486 1.00 10.00 H new ATOM 1096 N GLU A 69 -11.885 -1.583 -3.274 1.00 10.00 N ATOM 1097 CA GLU A 69 -11.263 -1.588 -4.607 1.00 10.00 C ATOM 1098 C GLU A 69 -11.659 -0.410 -5.521 1.00 10.00 C ATOM 1099 O GLU A 69 -11.004 -0.187 -6.545 1.00 10.00 O ATOM 1100 CB GLU A 69 -11.546 -2.926 -5.310 1.00 10.00 C ATOM 1101 CG GLU A 69 -13.034 -3.236 -5.525 1.00 10.00 C ATOM 1102 CD GLU A 69 -13.196 -4.386 -6.531 1.00 10.00 C ATOM 1103 OE1 GLU A 69 -12.970 -4.146 -7.742 1.00 10.00 O ATOM 1104 OE2 GLU A 69 -13.551 -5.520 -6.131 1.00 10.00 O ATOM 0 H GLU A 69 -12.568 -2.330 -3.148 1.00 10.00 H new ATOM 0 HA GLU A 69 -10.195 -1.460 -4.430 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -11.046 -2.925 -6.278 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -11.103 -3.730 -4.723 1.00 10.00 H new ATOM 0 HG2 GLU A 69 -13.498 -3.505 -4.576 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -13.549 -2.348 -5.891 1.00 10.00 H new ATOM 1111 N LYS A 70 -12.709 0.347 -5.171 1.00 10.00 N ATOM 1112 CA LYS A 70 -13.192 1.524 -5.925 1.00 10.00 C ATOM 1113 C LYS A 70 -12.719 2.847 -5.301 1.00 10.00 C ATOM 1114 O LYS A 70 -12.864 3.911 -5.909 1.00 10.00 O ATOM 1115 CB LYS A 70 -14.729 1.499 -6.052 1.00 10.00 C ATOM 1116 CG LYS A 70 -15.355 0.149 -6.454 1.00 10.00 C ATOM 1117 CD LYS A 70 -14.781 -0.457 -7.745 1.00 10.00 C ATOM 1118 CE LYS A 70 -15.552 -1.736 -8.103 1.00 10.00 C ATOM 1119 NZ LYS A 70 -14.835 -2.554 -9.116 1.00 10.00 N ATOM 0 H LYS A 70 -13.263 0.157 -4.336 1.00 10.00 H new ATOM 0 HA LYS A 70 -12.758 1.466 -6.923 1.00 10.00 H new ATOM 0 HB2 LYS A 70 -15.157 1.805 -5.097 1.00 10.00 H new ATOM 0 HB3 LYS A 70 -15.025 2.247 -6.788 1.00 10.00 H new ATOM 0 HG2 LYS A 70 -15.213 -0.561 -5.639 1.00 10.00 H new ATOM 0 HG3 LYS A 70 -16.430 0.283 -6.576 1.00 10.00 H new ATOM 0 HD2 LYS A 70 -14.854 0.263 -8.560 1.00 10.00 H new ATOM 0 HD3 LYS A 70 -13.723 -0.683 -7.613 1.00 10.00 H new ATOM 0 HE2 LYS A 70 -15.708 -2.330 -7.202 1.00 10.00 H new ATOM 0 HE3 LYS A 70 -16.538 -1.470 -8.484 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 -15.490 -3.249 -9.527 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 -14.471 -1.935 -9.868 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 -14.042 -3.051 -8.663 1.00 10.00 H new ATOM 1133 N ASN A 71 -12.116 2.772 -4.115 1.00 10.00 N ATOM 1134 CA ASN A 71 -11.370 3.841 -3.444 1.00 10.00 C ATOM 1135 C ASN A 71 -9.853 3.629 -3.656 1.00 10.00 C ATOM 1136 O ASN A 71 -9.437 2.676 -4.323 1.00 10.00 O ATOM 1137 CB ASN A 71 -11.779 3.836 -1.959 1.00 10.00 C ATOM 1138 CG ASN A 71 -13.171 4.406 -1.737 1.00 10.00 C ATOM 1139 OD1 ASN A 71 -13.339 5.580 -1.433 1.00 10.00 O ATOM 1140 ND2 ASN A 71 -14.214 3.621 -1.877 1.00 10.00 N ATOM 0 H ASN A 71 -12.135 1.914 -3.563 1.00 10.00 H new ATOM 0 HA ASN A 71 -11.603 4.821 -3.860 1.00 10.00 H new ATOM 0 HB2 ASN A 71 -11.743 2.815 -1.579 1.00 10.00 H new ATOM 0 HB3 ASN A 71 -11.057 4.416 -1.384 1.00 10.00 H new ATOM 0 HD21 ASN A 71 -15.154 3.991 -1.733 1.00 10.00 H new ATOM 0 HD22 ASN A 71 -14.085 2.641 -2.130 1.00 10.00 H new ATOM 1147 N PHE A 72 -9.013 4.507 -3.098 1.00 10.00 N ATOM 1148 CA PHE A 72 -7.554 4.402 -3.215 1.00 10.00 C ATOM 1149 C PHE A 72 -6.799 4.676 -1.906 1.00 10.00 C ATOM 1150 O PHE A 72 -7.295 5.318 -0.977 1.00 10.00 O ATOM 1151 CB PHE A 72 -7.039 5.273 -4.377 1.00 10.00 C ATOM 1152 CG PHE A 72 -7.332 6.760 -4.315 1.00 10.00 C ATOM 1153 CD1 PHE A 72 -6.675 7.589 -3.382 1.00 10.00 C ATOM 1154 CD2 PHE A 72 -8.215 7.333 -5.252 1.00 10.00 C ATOM 1155 CE1 PHE A 72 -6.925 8.973 -3.366 1.00 10.00 C ATOM 1156 CE2 PHE A 72 -8.442 8.721 -5.253 1.00 10.00 C ATOM 1157 CZ PHE A 72 -7.807 9.540 -4.303 1.00 10.00 C ATOM 0 H PHE A 72 -9.325 5.310 -2.553 1.00 10.00 H new ATOM 0 HA PHE A 72 -7.338 3.358 -3.443 1.00 10.00 H new ATOM 0 HB2 PHE A 72 -5.959 5.145 -4.442 1.00 10.00 H new ATOM 0 HB3 PHE A 72 -7.462 4.884 -5.303 1.00 10.00 H new ATOM 0 HD1 PHE A 72 -5.978 7.160 -2.678 1.00 10.00 H new ATOM 0 HD2 PHE A 72 -8.719 6.704 -5.971 1.00 10.00 H new ATOM 0 HE1 PHE A 72 -6.439 9.601 -2.634 1.00 10.00 H new ATOM 0 HE2 PHE A 72 -9.105 9.158 -5.985 1.00 10.00 H new ATOM 0 HZ PHE A 72 -7.996 10.603 -4.293 1.00 10.00 H new ATOM 1167 N VAL A 73 -5.560 4.188 -1.883 1.00 10.00 N ATOM 1168 CA VAL A 73 -4.553 4.284 -0.818 1.00 10.00 C ATOM 1169 C VAL A 73 -3.414 5.169 -1.339 1.00 10.00 C ATOM 1170 O VAL A 73 -3.154 5.200 -2.542 1.00 10.00 O ATOM 1171 CB VAL A 73 -4.052 2.861 -0.482 1.00 10.00 C ATOM 1172 CG1 VAL A 73 -2.779 2.770 0.371 1.00 10.00 C ATOM 1173 CG2 VAL A 73 -5.134 2.046 0.233 1.00 10.00 C ATOM 0 H VAL A 73 -5.198 3.666 -2.682 1.00 10.00 H new ATOM 0 HA VAL A 73 -4.962 4.723 0.092 1.00 10.00 H new ATOM 0 HB VAL A 73 -3.806 2.459 -1.465 1.00 10.00 H new ATOM 0 HG11 VAL A 73 -2.528 1.723 0.539 1.00 10.00 H new ATOM 0 HG12 VAL A 73 -1.957 3.261 -0.149 1.00 10.00 H new ATOM 0 HG13 VAL A 73 -2.947 3.261 1.329 1.00 10.00 H new ATOM 0 HG21 VAL A 73 -4.751 1.050 0.456 1.00 10.00 H new ATOM 0 HG22 VAL A 73 -5.411 2.545 1.162 1.00 10.00 H new ATOM 0 HG23 VAL A 73 -6.011 1.963 -0.409 1.00 10.00 H new ATOM 1183 N VAL A 74 -2.725 5.885 -0.455 1.00 10.00 N ATOM 1184 CA VAL A 74 -1.605 6.778 -0.793 1.00 10.00 C ATOM 1185 C VAL A 74 -0.322 6.239 -0.161 1.00 10.00 C ATOM 1186 O VAL A 74 -0.326 5.852 1.007 1.00 10.00 O ATOM 1187 CB VAL A 74 -1.889 8.225 -0.341 1.00 10.00 C ATOM 1188 CG1 VAL A 74 -0.777 9.183 -0.793 1.00 10.00 C ATOM 1189 CG2 VAL A 74 -3.214 8.756 -0.910 1.00 10.00 C ATOM 0 H VAL A 74 -2.930 5.864 0.544 1.00 10.00 H new ATOM 0 HA VAL A 74 -1.483 6.803 -1.876 1.00 10.00 H new ATOM 0 HB VAL A 74 -1.941 8.190 0.747 1.00 10.00 H new ATOM 0 HG11 VAL A 74 -1.009 10.194 -0.458 1.00 10.00 H new ATOM 0 HG12 VAL A 74 0.173 8.867 -0.362 1.00 10.00 H new ATOM 0 HG13 VAL A 74 -0.705 9.169 -1.880 1.00 10.00 H new ATOM 0 HG21 VAL A 74 -3.374 9.778 -0.566 1.00 10.00 H new ATOM 0 HG22 VAL A 74 -3.174 8.741 -1.999 1.00 10.00 H new ATOM 0 HG23 VAL A 74 -4.035 8.126 -0.569 1.00 10.00 H new ATOM 1199 N VAL A 75 0.777 6.230 -0.921 1.00 10.00 N ATOM 1200 CA VAL A 75 2.104 5.743 -0.496 1.00 10.00 C ATOM 1201 C VAL A 75 3.129 6.881 -0.528 1.00 10.00 C ATOM 1202 O VAL A 75 3.174 7.670 -1.479 1.00 10.00 O ATOM 1203 CB VAL A 75 2.574 4.510 -1.310 1.00 10.00 C ATOM 1204 CG1 VAL A 75 1.489 3.424 -1.372 1.00 10.00 C ATOM 1205 CG2 VAL A 75 3.004 4.786 -2.757 1.00 10.00 C ATOM 0 H VAL A 75 0.773 6.572 -1.882 1.00 10.00 H new ATOM 0 HA VAL A 75 2.013 5.400 0.535 1.00 10.00 H new ATOM 0 HB VAL A 75 3.455 4.186 -0.756 1.00 10.00 H new ATOM 0 HG11 VAL A 75 1.856 2.576 -1.951 1.00 10.00 H new ATOM 0 HG12 VAL A 75 1.245 3.095 -0.362 1.00 10.00 H new ATOM 0 HG13 VAL A 75 0.596 3.829 -1.848 1.00 10.00 H new ATOM 0 HG21 VAL A 75 3.312 3.853 -3.229 1.00 10.00 H new ATOM 0 HG22 VAL A 75 2.167 5.213 -3.310 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.838 5.488 -2.761 1.00 10.00 H new ATOM 1215 N MET A 76 3.947 6.984 0.522 1.00 10.00 N ATOM 1216 CA MET A 76 4.922 8.070 0.729 1.00 10.00 C ATOM 1217 C MET A 76 6.255 7.523 1.262 1.00 10.00 C ATOM 1218 O MET A 76 6.297 6.424 1.813 1.00 10.00 O ATOM 1219 CB MET A 76 4.349 9.115 1.703 1.00 10.00 C ATOM 1220 CG MET A 76 3.044 9.754 1.201 1.00 10.00 C ATOM 1221 SD MET A 76 2.420 11.129 2.208 1.00 10.00 S ATOM 1222 CE MET A 76 3.612 12.427 1.773 1.00 10.00 C ATOM 0 H MET A 76 3.954 6.297 1.276 1.00 10.00 H new ATOM 0 HA MET A 76 5.112 8.545 -0.234 1.00 10.00 H new ATOM 0 HB2 MET A 76 4.167 8.642 2.668 1.00 10.00 H new ATOM 0 HB3 MET A 76 5.091 9.897 1.865 1.00 10.00 H new ATOM 0 HG2 MET A 76 3.201 10.112 0.184 1.00 10.00 H new ATOM 0 HG3 MET A 76 2.276 8.982 1.152 1.00 10.00 H new ATOM 0 HE1 MET A 76 3.296 13.373 2.212 1.00 10.00 H new ATOM 0 HE2 MET A 76 4.597 12.160 2.156 1.00 10.00 H new ATOM 0 HE3 MET A 76 3.660 12.528 0.689 1.00 10.00 H new ATOM 1232 N VAL A 77 7.347 8.281 1.128 1.00 10.00 N ATOM 1233 CA VAL A 77 8.694 7.900 1.576 1.00 10.00 C ATOM 1234 C VAL A 77 9.345 8.981 2.440 1.00 10.00 C ATOM 1235 O VAL A 77 8.996 10.163 2.342 1.00 10.00 O ATOM 1236 CB VAL A 77 9.615 7.589 0.380 1.00 10.00 C ATOM 1237 CG1 VAL A 77 9.160 6.352 -0.395 1.00 10.00 C ATOM 1238 CG2 VAL A 77 9.782 8.766 -0.590 1.00 10.00 C ATOM 0 H VAL A 77 7.320 9.203 0.693 1.00 10.00 H new ATOM 0 HA VAL A 77 8.569 7.003 2.182 1.00 10.00 H new ATOM 0 HB VAL A 77 10.588 7.391 0.829 1.00 10.00 H new ATOM 0 HG11 VAL A 77 9.840 6.174 -1.228 1.00 10.00 H new ATOM 0 HG12 VAL A 77 9.163 5.486 0.267 1.00 10.00 H new ATOM 0 HG13 VAL A 77 8.152 6.513 -0.778 1.00 10.00 H new ATOM 0 HG21 VAL A 77 10.443 8.474 -1.406 1.00 10.00 H new ATOM 0 HG22 VAL A 77 8.809 9.046 -0.994 1.00 10.00 H new ATOM 0 HG23 VAL A 77 10.213 9.616 -0.060 1.00 10.00 H new ATOM 1248 N THR A 78 10.344 8.587 3.233 1.00 10.00 N ATOM 1249 CA THR A 78 11.197 9.505 4.004 1.00 10.00 C ATOM 1250 C THR A 78 12.663 9.074 4.003 1.00 10.00 C ATOM 1251 O THR A 78 13.000 8.007 4.518 1.00 10.00 O ATOM 1252 CB THR A 78 10.740 9.680 5.468 1.00 10.00 C ATOM 1253 OG1 THR A 78 10.164 8.508 6.015 1.00 10.00 O ATOM 1254 CG2 THR A 78 9.726 10.809 5.589 1.00 10.00 C ATOM 0 H THR A 78 10.590 7.606 3.362 1.00 10.00 H new ATOM 0 HA THR A 78 11.096 10.462 3.492 1.00 10.00 H new ATOM 0 HB THR A 78 11.645 9.912 6.030 1.00 10.00 H new ATOM 0 HG1 THR A 78 9.896 8.677 6.942 1.00 10.00 H new ATOM 0 HG21 THR A 78 9.419 10.913 6.630 1.00 10.00 H new ATOM 0 HG22 THR A 78 10.177 11.741 5.249 1.00 10.00 H new ATOM 0 HG23 THR A 78 8.854 10.583 4.975 1.00 10.00 H new ATOM 1262 N LYS A 79 13.592 9.878 3.472 1.00 10.00 N ATOM 1263 CA LYS A 79 13.416 11.087 2.633 1.00 10.00 C ATOM 1264 C LYS A 79 14.529 11.380 1.593 1.00 10.00 C ATOM 1265 O LYS A 79 14.145 11.845 0.517 1.00 10.00 O ATOM 1266 CB LYS A 79 13.157 12.318 3.534 1.00 10.00 C ATOM 1267 CG LYS A 79 12.613 13.560 2.805 1.00 10.00 C ATOM 1268 CD LYS A 79 11.304 13.310 2.039 1.00 10.00 C ATOM 1269 CE LYS A 79 10.726 14.636 1.532 1.00 10.00 C ATOM 1270 NZ LYS A 79 9.459 14.428 0.786 1.00 10.00 N ATOM 0 H LYS A 79 14.582 9.687 3.629 1.00 10.00 H new ATOM 0 HA LYS A 79 12.547 10.868 2.012 1.00 10.00 H new ATOM 0 HB2 LYS A 79 12.450 12.035 4.314 1.00 10.00 H new ATOM 0 HB3 LYS A 79 14.089 12.587 4.031 1.00 10.00 H new ATOM 0 HG2 LYS A 79 12.450 14.354 3.533 1.00 10.00 H new ATOM 0 HG3 LYS A 79 13.369 13.919 2.106 1.00 10.00 H new ATOM 0 HD2 LYS A 79 11.488 12.640 1.199 1.00 10.00 H new ATOM 0 HD3 LYS A 79 10.582 12.815 2.689 1.00 10.00 H new ATOM 0 HE2 LYS A 79 10.547 15.302 2.376 1.00 10.00 H new ATOM 0 HE3 LYS A 79 11.453 15.128 0.886 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 9.095 15.345 0.457 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 9.635 13.812 -0.033 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 8.758 13.981 1.411 1.00 10.00 H new ATOM 1284 N PRO A 80 15.843 11.107 1.795 1.00 10.00 N ATOM 1285 CA PRO A 80 16.548 10.627 2.999 1.00 10.00 C ATOM 1286 C PRO A 80 16.696 11.695 4.102 1.00 10.00 C ATOM 1287 O PRO A 80 16.684 12.896 3.825 1.00 10.00 O ATOM 1288 CB PRO A 80 17.928 10.189 2.492 1.00 10.00 C ATOM 1289 CG PRO A 80 18.204 11.151 1.342 1.00 10.00 C ATOM 1290 CD PRO A 80 16.817 11.332 0.730 1.00 10.00 C ATOM 0 HA PRO A 80 15.981 9.825 3.472 1.00 10.00 H new ATOM 0 HB2 PRO A 80 18.686 10.267 3.272 1.00 10.00 H new ATOM 0 HB3 PRO A 80 17.922 9.152 2.156 1.00 10.00 H new ATOM 0 HG2 PRO A 80 18.620 12.095 1.693 1.00 10.00 H new ATOM 0 HG3 PRO A 80 18.914 10.736 0.626 1.00 10.00 H new ATOM 0 HD2 PRO A 80 16.708 12.333 0.314 1.00 10.00 H new ATOM 0 HD3 PRO A 80 16.662 10.628 -0.088 1.00 10.00 H new ATOM 1298 N LYS A 81 16.901 11.228 5.344 1.00 10.00 N ATOM 1299 CA LYS A 81 17.205 11.956 6.603 1.00 10.00 C ATOM 1300 C LYS A 81 16.202 13.017 7.094 1.00 10.00 C ATOM 1301 O LYS A 81 15.919 13.057 8.292 1.00 10.00 O ATOM 1302 CB LYS A 81 18.630 12.550 6.545 1.00 10.00 C ATOM 1303 CG LYS A 81 19.725 11.476 6.409 1.00 10.00 C ATOM 1304 CD LYS A 81 21.138 12.069 6.318 1.00 10.00 C ATOM 1305 CE LYS A 81 21.562 12.781 7.612 1.00 10.00 C ATOM 1306 NZ LYS A 81 22.955 13.294 7.523 1.00 10.00 N ATOM 0 H LYS A 81 16.854 10.224 5.518 1.00 10.00 H new ATOM 0 HA LYS A 81 17.116 11.176 7.360 1.00 10.00 H new ATOM 0 HB2 LYS A 81 18.697 13.238 5.702 1.00 10.00 H new ATOM 0 HB3 LYS A 81 18.811 13.134 7.448 1.00 10.00 H new ATOM 0 HG2 LYS A 81 19.674 10.802 7.264 1.00 10.00 H new ATOM 0 HG3 LYS A 81 19.530 10.877 5.519 1.00 10.00 H new ATOM 0 HD2 LYS A 81 21.849 11.273 6.095 1.00 10.00 H new ATOM 0 HD3 LYS A 81 21.180 12.775 5.488 1.00 10.00 H new ATOM 0 HE2 LYS A 81 20.881 13.608 7.813 1.00 10.00 H new ATOM 0 HE3 LYS A 81 21.481 12.090 8.451 1.00 10.00 H new ATOM 0 HZ1 LYS A 81 23.208 13.768 8.413 1.00 10.00 H new ATOM 0 HZ2 LYS A 81 23.607 12.501 7.356 1.00 10.00 H new ATOM 0 HZ3 LYS A 81 23.026 13.972 6.737 1.00 10.00 H new ATOM 1320 N ALA A 82 15.673 13.875 6.224 1.00 10.00 N ATOM 1321 CA ALA A 82 14.779 14.979 6.576 1.00 10.00 C ATOM 1322 C ALA A 82 13.395 14.488 7.059 1.00 10.00 C ATOM 1323 O ALA A 82 12.612 13.934 6.284 1.00 10.00 O ATOM 1324 CB ALA A 82 14.674 15.917 5.367 1.00 10.00 C ATOM 0 H ALA A 82 15.860 13.820 5.223 1.00 10.00 H new ATOM 0 HA ALA A 82 15.196 15.523 7.423 1.00 10.00 H new ATOM 0 HB1 ALA A 82 14.011 16.748 5.608 1.00 10.00 H new ATOM 0 HB2 ALA A 82 15.663 16.302 5.118 1.00 10.00 H new ATOM 0 HB3 ALA A 82 14.273 15.369 4.515 1.00 10.00 H new ATOM 1330 N VAL A 83 13.089 14.709 8.342 1.00 10.00 N ATOM 1331 CA VAL A 83 11.800 14.395 8.992 1.00 10.00 C ATOM 1332 C VAL A 83 11.433 15.531 9.955 1.00 10.00 C ATOM 1333 O VAL A 83 12.298 16.051 10.665 1.00 10.00 O ATOM 1334 CB VAL A 83 11.869 13.042 9.745 1.00 10.00 C ATOM 1335 CG1 VAL A 83 10.525 12.678 10.395 1.00 10.00 C ATOM 1336 CG2 VAL A 83 12.241 11.874 8.820 1.00 10.00 C ATOM 0 H VAL A 83 13.757 15.129 8.988 1.00 10.00 H new ATOM 0 HA VAL A 83 11.030 14.304 8.226 1.00 10.00 H new ATOM 0 HB VAL A 83 12.640 13.184 10.502 1.00 10.00 H new ATOM 0 HG11 VAL A 83 10.618 11.723 10.912 1.00 10.00 H new ATOM 0 HG12 VAL A 83 10.245 13.452 11.110 1.00 10.00 H new ATOM 0 HG13 VAL A 83 9.758 12.601 9.625 1.00 10.00 H new ATOM 0 HG21 VAL A 83 12.276 10.950 9.397 1.00 10.00 H new ATOM 0 HG22 VAL A 83 11.494 11.782 8.032 1.00 10.00 H new ATOM 0 HG23 VAL A 83 13.218 12.060 8.374 1.00 10.00 H new ATOM 1346 N SER A 84 10.150 15.911 9.992 1.00 10.00 N ATOM 1347 CA SER A 84 9.620 17.041 10.778 1.00 10.00 C ATOM 1348 C SER A 84 8.390 16.646 11.610 1.00 10.00 C ATOM 1349 O SER A 84 7.615 15.768 11.213 1.00 10.00 O ATOM 1350 CB SER A 84 9.255 18.211 9.853 1.00 10.00 C ATOM 1351 OG SER A 84 10.397 18.674 9.143 1.00 10.00 O ATOM 0 H SER A 84 9.426 15.428 9.460 1.00 10.00 H new ATOM 0 HA SER A 84 10.408 17.344 11.467 1.00 10.00 H new ATOM 0 HB2 SER A 84 8.487 17.895 9.147 1.00 10.00 H new ATOM 0 HB3 SER A 84 8.833 19.026 10.441 1.00 10.00 H new ATOM 0 HG SER A 84 10.140 19.418 8.559 1.00 10.00 H new ATOM 1357 N THR A 85 8.200 17.311 12.755 1.00 10.00 N ATOM 1358 CA THR A 85 7.072 17.124 13.694 1.00 10.00 C ATOM 1359 C THR A 85 6.758 18.412 14.472 1.00 10.00 C ATOM 1360 O THR A 85 5.560 18.736 14.632 1.00 10.00 O ATOM 1361 CB THR A 85 7.342 15.928 14.627 1.00 10.00 C ATOM 1362 OG1 THR A 85 6.198 15.647 15.405 1.00 10.00 O ATOM 1363 CG2 THR A 85 8.532 16.102 15.575 1.00 10.00 C ATOM 1364 OXT THR A 85 7.704 19.143 14.849 1.00 10.00 O ATOM 0 H THR A 85 8.853 18.027 13.073 1.00 10.00 H new ATOM 0 HA THR A 85 6.179 16.895 13.113 1.00 10.00 H new ATOM 0 HB THR A 85 7.590 15.106 13.955 1.00 10.00 H new ATOM 0 HG1 THR A 85 6.381 14.884 15.993 1.00 10.00 H new ATOM 0 HG21 THR A 85 8.641 15.209 16.190 1.00 10.00 H new ATOM 0 HG22 THR A 85 9.441 16.255 14.993 1.00 10.00 H new ATOM 0 HG23 THR A 85 8.362 16.966 16.217 1.00 10.00 H new TER 1372 THR A 85