USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 575 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 43 LYS NZ :NH3+ -158:sc= 0.657 (180deg=0.0502) USER MOD Set 1.2: A 58 GLN : amide:sc= -0.125 K(o=0.53,f=0.029) USER MOD Set 2.1: A 35 ASN :FLIP amide:sc= 0.657 F(o=0.25,f=1.3) USER MOD Set 2.2: A 37 THR OG1 : rot -60:sc= 0.641 USER MOD Set 3.1: A 15 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.0693 (180deg=-0.318) USER MOD Single : A 4 THR OG1 : rot -50:sc= 0.721 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0475 K(o=-0.048,f=-1.5!) USER MOD Single : A 19 SER OG : rot -151:sc= 0.985 USER MOD Single : A 24 THR OG1 : rot 159:sc= -0.576 USER MOD Single : A 25 MET CE :methyl -150:sc= -2.82 (180deg=-8.8!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0519 X(o=-0.052,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 169:sc= -0.0129 (180deg=-0.156) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.39 X(o=-0.39,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= -0.0237 (180deg=-0.213) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.846 -5.047 0.542 1.00 0.00 N ATOM 2 CA MET A 1 -0.503 -5.565 0.773 1.00 0.00 C ATOM 3 C MET A 1 0.094 -6.123 -0.515 1.00 0.00 C ATOM 4 O MET A 1 -0.575 -6.837 -1.262 1.00 0.00 O ATOM 5 CB MET A 1 -0.532 -6.654 1.848 1.00 0.00 C ATOM 6 CG MET A 1 -1.659 -7.658 1.666 1.00 0.00 C ATOM 7 SD MET A 1 -1.621 -8.975 2.897 1.00 0.00 S ATOM 8 CE MET A 1 -1.925 -10.409 1.868 1.00 0.00 C ATOM 0 H1 MET A 1 -2.302 -4.846 1.455 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.789 -4.172 -0.017 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.406 -5.753 0.024 1.00 0.00 H new ATOM 0 HA MET A 1 0.123 -4.741 1.116 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.420 -7.184 1.842 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.629 -6.184 2.827 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.616 -7.139 1.724 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.594 -8.095 0.670 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.931 -11.306 2.487 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.890 -10.303 1.373 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.139 -10.491 1.117 1.00 0.00 H new ATOM 18 N ASP A 2 1.355 -5.792 -0.768 1.00 0.00 N ATOM 19 CA ASP A 2 2.043 -6.260 -1.966 1.00 0.00 C ATOM 20 C ASP A 2 1.420 -5.656 -3.221 1.00 0.00 C ATOM 21 O ASP A 2 0.831 -6.365 -4.036 1.00 0.00 O ATOM 22 CB ASP A 2 1.996 -7.787 -2.043 1.00 0.00 C ATOM 23 CG ASP A 2 2.204 -8.441 -0.691 1.00 0.00 C ATOM 24 OD1 ASP A 2 3.373 -8.612 -0.289 1.00 0.00 O ATOM 25 OD2 ASP A 2 1.196 -8.782 -0.036 1.00 0.00 O ATOM 0 H ASP A 2 1.922 -5.201 -0.160 1.00 0.00 H new ATOM 0 HA ASP A 2 3.083 -5.939 -1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.034 -8.098 -2.450 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.762 -8.137 -2.735 1.00 0.00 H new ATOM 30 N GLU A 3 1.554 -4.341 -3.369 1.00 0.00 N ATOM 31 CA GLU A 3 1.003 -3.643 -4.524 1.00 0.00 C ATOM 32 C GLU A 3 1.849 -3.896 -5.768 1.00 0.00 C ATOM 33 O GLU A 3 2.541 -3.002 -6.256 1.00 0.00 O ATOM 34 CB GLU A 3 0.920 -2.140 -4.247 1.00 0.00 C ATOM 35 CG GLU A 3 -0.162 -1.763 -3.249 1.00 0.00 C ATOM 36 CD GLU A 3 -0.340 -0.263 -3.121 1.00 0.00 C ATOM 37 OE1 GLU A 3 0.604 0.408 -2.653 1.00 0.00 O ATOM 38 OE2 GLU A 3 -1.422 0.240 -3.488 1.00 0.00 O ATOM 0 H GLU A 3 2.039 -3.739 -2.704 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.001 -4.028 -4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.884 -1.794 -3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 3 0.736 -1.616 -5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -1.107 -2.212 -3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 3 0.087 -2.180 -2.273 1.00 0.00 H new ATOM 45 N THR A 4 1.789 -5.123 -6.278 1.00 0.00 N ATOM 46 CA THR A 4 2.550 -5.496 -7.463 1.00 0.00 C ATOM 47 C THR A 4 1.654 -6.152 -8.508 1.00 0.00 C ATOM 48 O THR A 4 2.111 -6.965 -9.310 1.00 0.00 O ATOM 49 CB THR A 4 3.700 -6.458 -7.113 1.00 0.00 C ATOM 50 OG1 THR A 4 4.555 -6.634 -8.248 1.00 0.00 O ATOM 51 CG2 THR A 4 3.159 -7.808 -6.665 1.00 0.00 C ATOM 0 H THR A 4 1.221 -5.875 -5.888 1.00 0.00 H new ATOM 0 HA THR A 4 2.968 -4.576 -7.872 1.00 0.00 H new ATOM 0 HB THR A 4 4.271 -6.023 -6.293 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.013 -6.848 -9.036 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.990 -8.471 -6.423 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.533 -7.674 -5.783 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.566 -8.247 -7.468 1.00 0.00 H new ATOM 59 N GLY A 5 0.373 -5.793 -8.492 1.00 0.00 N ATOM 60 CA GLY A 5 -0.566 -6.356 -9.444 1.00 0.00 C ATOM 61 C GLY A 5 -1.330 -7.536 -8.875 1.00 0.00 C ATOM 62 O GLY A 5 -1.399 -8.598 -9.493 1.00 0.00 O ATOM 0 H GLY A 5 -0.030 -5.123 -7.837 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.272 -5.585 -9.753 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.028 -6.672 -10.337 1.00 0.00 H new ATOM 66 N LYS A 6 -1.906 -7.350 -7.692 1.00 0.00 N ATOM 67 CA LYS A 6 -2.669 -8.407 -7.038 1.00 0.00 C ATOM 68 C LYS A 6 -3.872 -7.831 -6.297 1.00 0.00 C ATOM 69 O LYS A 6 -3.719 -7.145 -5.288 1.00 0.00 O ATOM 70 CB LYS A 6 -1.777 -9.179 -6.062 1.00 0.00 C ATOM 71 CG LYS A 6 -0.828 -10.150 -6.743 1.00 0.00 C ATOM 72 CD LYS A 6 -1.515 -11.466 -7.067 1.00 0.00 C ATOM 73 CE LYS A 6 -0.790 -12.215 -8.175 1.00 0.00 C ATOM 74 NZ LYS A 6 0.341 -13.027 -7.646 1.00 0.00 N ATOM 0 H LYS A 6 -1.859 -6.477 -7.166 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.031 -9.089 -7.807 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.196 -8.468 -5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.408 -9.730 -5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.445 -9.703 -7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.030 -10.336 -6.097 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.555 -12.087 -6.172 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.545 -11.275 -7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.493 -12.866 -8.694 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.414 -11.503 -8.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.810 -13.522 -8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.025 -12.403 -7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.021 -13.724 -6.964 1.00 0.00 H new ATOM 88 N GLU A 7 -5.066 -8.117 -6.806 1.00 0.00 N ATOM 89 CA GLU A 7 -6.294 -7.627 -6.191 1.00 0.00 C ATOM 90 C GLU A 7 -7.390 -8.688 -6.243 1.00 0.00 C ATOM 91 O GLU A 7 -7.189 -9.778 -6.781 1.00 0.00 O ATOM 92 CB GLU A 7 -6.769 -6.353 -6.892 1.00 0.00 C ATOM 93 CG GLU A 7 -5.657 -5.350 -7.152 1.00 0.00 C ATOM 94 CD GLU A 7 -4.957 -5.586 -8.476 1.00 0.00 C ATOM 95 OE1 GLU A 7 -5.616 -6.072 -9.418 1.00 0.00 O ATOM 96 OE2 GLU A 7 -3.748 -5.284 -8.569 1.00 0.00 O ATOM 0 H GLU A 7 -5.209 -8.685 -7.641 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.081 -7.400 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.233 -6.622 -7.841 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.539 -5.879 -6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.072 -4.342 -7.139 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.927 -5.405 -6.344 1.00 0.00 H new ATOM 103 N LEU A 8 -8.548 -8.362 -5.680 1.00 0.00 N ATOM 104 CA LEU A 8 -9.677 -9.286 -5.661 1.00 0.00 C ATOM 105 C LEU A 8 -10.823 -8.763 -6.521 1.00 0.00 C ATOM 106 O LEU A 8 -11.168 -7.583 -6.463 1.00 0.00 O ATOM 107 CB LEU A 8 -10.158 -9.505 -4.226 1.00 0.00 C ATOM 108 CG LEU A 8 -9.441 -10.600 -3.436 1.00 0.00 C ATOM 109 CD1 LEU A 8 -9.811 -11.974 -3.973 1.00 0.00 C ATOM 110 CD2 LEU A 8 -7.934 -10.394 -3.487 1.00 0.00 C ATOM 0 H LEU A 8 -8.730 -7.465 -5.230 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.343 -10.238 -6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.054 -8.566 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.222 -9.742 -4.253 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.761 -10.540 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.291 -12.741 -3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.887 -12.121 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.520 -12.046 -5.021 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.440 -11.182 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.597 -10.427 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.684 -9.425 -3.055 1.00 0.00 H new ATOM 122 N VAL A 9 -11.412 -9.650 -7.316 1.00 0.00 N ATOM 123 CA VAL A 9 -12.522 -9.279 -8.185 1.00 0.00 C ATOM 124 C VAL A 9 -13.781 -10.065 -7.835 1.00 0.00 C ATOM 125 O VAL A 9 -13.724 -11.269 -7.579 1.00 0.00 O ATOM 126 CB VAL A 9 -12.178 -9.517 -9.668 1.00 0.00 C ATOM 127 CG1 VAL A 9 -10.944 -8.721 -10.064 1.00 0.00 C ATOM 128 CG2 VAL A 9 -11.975 -11.001 -9.936 1.00 0.00 C ATOM 0 H VAL A 9 -11.139 -10.631 -7.376 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.705 -8.216 -8.028 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.014 -9.172 -10.277 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.716 -8.902 -11.115 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.132 -7.658 -9.911 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.098 -9.032 -9.451 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.733 -11.151 -10.988 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.158 -11.374 -9.319 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.889 -11.543 -9.693 1.00 0.00 H new ATOM 138 N LEU A 10 -14.917 -9.377 -7.824 1.00 0.00 N ATOM 139 CA LEU A 10 -16.192 -10.010 -7.505 1.00 0.00 C ATOM 140 C LEU A 10 -16.940 -10.399 -8.776 1.00 0.00 C ATOM 141 O LEU A 10 -16.892 -9.687 -9.779 1.00 0.00 O ATOM 142 CB LEU A 10 -17.053 -9.070 -6.660 1.00 0.00 C ATOM 143 CG LEU A 10 -18.507 -9.498 -6.451 1.00 0.00 C ATOM 144 CD1 LEU A 10 -18.571 -10.875 -5.810 1.00 0.00 C ATOM 145 CD2 LEU A 10 -19.246 -8.476 -5.600 1.00 0.00 C ATOM 0 H LEU A 10 -14.982 -8.381 -8.032 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.987 -10.916 -6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.583 -8.960 -5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.049 -8.086 -7.129 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.994 -9.551 -7.425 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.613 -11.163 -5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -18.078 -11.601 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -18.068 -10.850 -4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.279 -8.796 -5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -18.759 -8.391 -4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.231 -7.507 -6.099 1.00 0.00 H new ATOM 157 N ALA A 11 -17.633 -11.532 -8.726 1.00 0.00 N ATOM 158 CA ALA A 11 -18.396 -12.012 -9.872 1.00 0.00 C ATOM 159 C ALA A 11 -19.764 -11.343 -9.940 1.00 0.00 C ATOM 160 O ALA A 11 -20.547 -11.409 -8.991 1.00 0.00 O ATOM 161 CB ALA A 11 -18.548 -13.525 -9.808 1.00 0.00 C ATOM 0 H ALA A 11 -17.682 -12.134 -7.904 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.848 -11.751 -10.777 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.120 -13.870 -10.670 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.562 -13.990 -9.817 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.071 -13.800 -8.892 1.00 0.00 H new ATOM 167 N LEU A 12 -20.047 -10.700 -11.067 1.00 0.00 N ATOM 168 CA LEU A 12 -21.323 -10.018 -11.260 1.00 0.00 C ATOM 169 C LEU A 12 -22.465 -11.022 -11.374 1.00 0.00 C ATOM 170 O LEU A 12 -23.363 -11.055 -10.531 1.00 0.00 O ATOM 171 CB LEU A 12 -21.271 -9.142 -12.512 1.00 0.00 C ATOM 172 CG LEU A 12 -20.169 -8.082 -12.546 1.00 0.00 C ATOM 173 CD1 LEU A 12 -20.024 -7.507 -13.946 1.00 0.00 C ATOM 174 CD2 LEU A 12 -20.461 -6.977 -11.541 1.00 0.00 C ATOM 0 H LEU A 12 -19.411 -10.636 -11.862 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.505 -9.387 -10.390 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -21.150 -9.791 -13.380 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.233 -8.641 -12.620 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.227 -8.556 -12.271 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -19.235 -6.755 -13.950 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -19.768 -8.305 -14.642 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -20.965 -7.048 -14.250 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -19.667 -6.232 -11.579 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.413 -6.506 -11.785 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.513 -7.401 -10.538 1.00 0.00 H new ATOM 186 N TYR A 13 -22.425 -11.840 -12.419 1.00 0.00 N ATOM 187 CA TYR A 13 -23.457 -12.845 -12.644 1.00 0.00 C ATOM 188 C TYR A 13 -22.868 -14.252 -12.593 1.00 0.00 C ATOM 189 O TYR A 13 -21.672 -14.428 -12.356 1.00 0.00 O ATOM 190 CB TYR A 13 -24.138 -12.614 -13.994 1.00 0.00 C ATOM 191 CG TYR A 13 -24.488 -11.167 -14.255 1.00 0.00 C ATOM 192 CD1 TYR A 13 -25.468 -10.523 -13.509 1.00 0.00 C ATOM 193 CD2 TYR A 13 -23.839 -10.443 -15.248 1.00 0.00 C ATOM 194 CE1 TYR A 13 -25.792 -9.201 -13.746 1.00 0.00 C ATOM 195 CE2 TYR A 13 -24.155 -9.120 -15.490 1.00 0.00 C ATOM 196 CZ TYR A 13 -25.132 -8.504 -14.737 1.00 0.00 C ATOM 197 OH TYR A 13 -25.451 -7.186 -14.974 1.00 0.00 O ATOM 0 H TYR A 13 -21.688 -11.827 -13.124 1.00 0.00 H new ATOM 0 HA TYR A 13 -24.198 -12.752 -11.850 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -23.482 -12.969 -14.788 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -25.047 -13.213 -14.040 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -25.985 -11.065 -12.731 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -23.074 -10.923 -15.841 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -26.558 -8.716 -13.159 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -23.640 -8.571 -16.265 1.00 0.00 H new ATOM 0 HH TYR A 13 -24.894 -6.841 -15.703 1.00 0.00 H new ATOM 207 N ASP A 14 -23.716 -15.249 -12.817 1.00 0.00 N ATOM 208 CA ASP A 14 -23.281 -16.641 -12.799 1.00 0.00 C ATOM 209 C ASP A 14 -22.742 -17.060 -14.164 1.00 0.00 C ATOM 210 O ASP A 14 -23.187 -16.561 -15.198 1.00 0.00 O ATOM 211 CB ASP A 14 -24.438 -17.554 -12.392 1.00 0.00 C ATOM 212 CG ASP A 14 -25.425 -17.777 -13.521 1.00 0.00 C ATOM 213 OD1 ASP A 14 -25.118 -18.579 -14.428 1.00 0.00 O ATOM 214 OD2 ASP A 14 -26.504 -17.150 -13.497 1.00 0.00 O ATOM 0 H ASP A 14 -24.709 -15.120 -13.013 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.479 -16.736 -12.067 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -24.041 -18.515 -12.065 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -24.958 -17.118 -11.539 1.00 0.00 H new ATOM 219 N TYR A 15 -21.781 -17.977 -14.159 1.00 0.00 N ATOM 220 CA TYR A 15 -21.179 -18.461 -15.395 1.00 0.00 C ATOM 221 C TYR A 15 -20.724 -19.910 -15.250 1.00 0.00 C ATOM 222 O TYR A 15 -20.780 -20.482 -14.162 1.00 0.00 O ATOM 223 CB TYR A 15 -19.993 -17.579 -15.788 1.00 0.00 C ATOM 224 CG TYR A 15 -19.776 -17.485 -17.282 1.00 0.00 C ATOM 225 CD1 TYR A 15 -20.698 -16.843 -18.099 1.00 0.00 C ATOM 226 CD2 TYR A 15 -18.648 -18.039 -17.876 1.00 0.00 C ATOM 227 CE1 TYR A 15 -20.504 -16.756 -19.464 1.00 0.00 C ATOM 228 CE2 TYR A 15 -18.445 -17.955 -19.240 1.00 0.00 C ATOM 229 CZ TYR A 15 -19.377 -17.313 -20.029 1.00 0.00 C ATOM 230 OH TYR A 15 -19.179 -17.228 -21.389 1.00 0.00 O ATOM 0 H TYR A 15 -21.402 -18.400 -13.312 1.00 0.00 H new ATOM 0 HA TYR A 15 -21.934 -18.414 -16.179 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -20.148 -16.577 -15.388 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -19.089 -17.972 -15.322 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -21.582 -16.404 -17.660 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -17.918 -18.544 -17.261 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -21.231 -16.254 -20.085 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -17.562 -18.389 -19.686 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.337 -17.670 -21.625 1.00 0.00 H new ATOM 240 N GLN A 16 -20.274 -20.495 -16.355 1.00 0.00 N ATOM 241 CA GLN A 16 -19.809 -21.877 -16.352 1.00 0.00 C ATOM 242 C GLN A 16 -18.533 -22.024 -17.174 1.00 0.00 C ATOM 243 O GLN A 16 -18.173 -21.133 -17.942 1.00 0.00 O ATOM 244 CB GLN A 16 -20.895 -22.804 -16.902 1.00 0.00 C ATOM 245 CG GLN A 16 -21.098 -24.061 -16.072 1.00 0.00 C ATOM 246 CD GLN A 16 -22.399 -24.770 -16.397 1.00 0.00 C ATOM 247 OE1 GLN A 16 -23.356 -24.152 -16.863 1.00 0.00 O ATOM 248 NE2 GLN A 16 -22.439 -26.075 -16.153 1.00 0.00 N ATOM 0 H GLN A 16 -20.221 -20.034 -17.263 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.589 -22.158 -15.322 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -21.836 -22.257 -16.954 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -20.636 -23.089 -17.921 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -20.265 -24.743 -16.242 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -21.085 -23.799 -15.014 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -21.622 -26.547 -15.766 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -23.287 -26.605 -16.353 1.00 0.00 H new ATOM 257 N GLU A 17 -17.855 -23.155 -17.007 1.00 0.00 N ATOM 258 CA GLU A 17 -16.618 -23.418 -17.734 1.00 0.00 C ATOM 259 C GLU A 17 -16.905 -23.731 -19.200 1.00 0.00 C ATOM 260 O GLU A 17 -16.867 -24.888 -19.619 1.00 0.00 O ATOM 261 CB GLU A 17 -15.860 -24.581 -17.092 1.00 0.00 C ATOM 262 CG GLU A 17 -16.711 -25.824 -16.889 1.00 0.00 C ATOM 263 CD GLU A 17 -16.871 -26.188 -15.425 1.00 0.00 C ATOM 264 OE1 GLU A 17 -15.844 -26.269 -14.719 1.00 0.00 O ATOM 265 OE2 GLU A 17 -18.022 -26.392 -14.987 1.00 0.00 O ATOM 0 H GLU A 17 -18.141 -23.903 -16.375 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.001 -22.521 -17.686 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -15.004 -24.835 -17.717 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.466 -24.259 -16.128 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -17.695 -25.662 -17.329 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.258 -26.661 -17.420 1.00 0.00 H new ATOM 272 N LYS A 18 -17.193 -22.691 -19.976 1.00 0.00 N ATOM 273 CA LYS A 18 -17.485 -22.852 -21.395 1.00 0.00 C ATOM 274 C LYS A 18 -16.267 -23.381 -22.145 1.00 0.00 C ATOM 275 O LYS A 18 -16.395 -23.971 -23.218 1.00 0.00 O ATOM 276 CB LYS A 18 -17.931 -21.519 -21.999 1.00 0.00 C ATOM 277 CG LYS A 18 -18.842 -21.671 -23.205 1.00 0.00 C ATOM 278 CD LYS A 18 -19.813 -20.508 -23.321 1.00 0.00 C ATOM 279 CE LYS A 18 -21.082 -20.759 -22.520 1.00 0.00 C ATOM 280 NZ LYS A 18 -21.908 -19.527 -22.389 1.00 0.00 N ATOM 0 H LYS A 18 -17.230 -21.727 -19.645 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.293 -23.577 -21.494 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.448 -20.939 -21.235 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.049 -20.949 -22.290 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.240 -21.735 -24.111 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -19.399 -22.605 -23.126 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.333 -19.595 -22.968 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -20.068 -20.349 -24.369 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -21.669 -21.540 -23.004 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -20.819 -21.127 -21.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -22.763 -19.740 -21.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -21.357 -18.790 -21.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -22.181 -19.190 -23.334 1.00 0.00 H new ATOM 294 N SER A 19 -15.086 -23.167 -21.573 1.00 0.00 N ATOM 295 CA SER A 19 -13.845 -23.620 -22.189 1.00 0.00 C ATOM 296 C SER A 19 -13.015 -24.435 -21.202 1.00 0.00 C ATOM 297 O SER A 19 -13.204 -24.366 -19.988 1.00 0.00 O ATOM 298 CB SER A 19 -13.033 -22.424 -22.691 1.00 0.00 C ATOM 299 OG SER A 19 -11.678 -22.523 -22.289 1.00 0.00 O ATOM 0 H SER A 19 -14.963 -22.683 -20.684 1.00 0.00 H new ATOM 0 HA SER A 19 -14.100 -24.257 -23.036 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.090 -22.372 -23.778 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.464 -21.500 -22.305 1.00 0.00 H new ATOM 0 HG SER A 19 -11.300 -21.624 -22.188 1.00 0.00 H new ATOM 305 N PRO A 20 -12.072 -25.226 -21.735 1.00 0.00 N ATOM 306 CA PRO A 20 -11.193 -26.069 -20.920 1.00 0.00 C ATOM 307 C PRO A 20 -10.189 -25.252 -20.114 1.00 0.00 C ATOM 308 O PRO A 20 -9.493 -25.784 -19.250 1.00 0.00 O ATOM 309 CB PRO A 20 -10.469 -26.933 -21.957 1.00 0.00 C ATOM 310 CG PRO A 20 -10.500 -26.127 -23.209 1.00 0.00 C ATOM 311 CD PRO A 20 -11.791 -25.358 -23.175 1.00 0.00 C ATOM 0 HA PRO A 20 -11.751 -26.643 -20.180 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.446 -27.147 -21.649 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.969 -27.892 -22.091 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.645 -25.452 -23.260 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.452 -26.770 -24.088 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.692 -24.385 -23.656 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.589 -25.890 -23.693 1.00 0.00 H new ATOM 319 N ARG A 21 -10.121 -23.956 -20.402 1.00 0.00 N ATOM 320 CA ARG A 21 -9.202 -23.066 -19.703 1.00 0.00 C ATOM 321 C ARG A 21 -9.959 -22.131 -18.764 1.00 0.00 C ATOM 322 O ARG A 21 -9.362 -21.482 -17.906 1.00 0.00 O ATOM 323 CB ARG A 21 -8.389 -22.247 -20.708 1.00 0.00 C ATOM 324 CG ARG A 21 -7.784 -23.082 -21.825 1.00 0.00 C ATOM 325 CD ARG A 21 -8.645 -23.044 -23.078 1.00 0.00 C ATOM 326 NE ARG A 21 -8.798 -21.687 -23.597 1.00 0.00 N ATOM 327 CZ ARG A 21 -7.879 -21.075 -24.336 1.00 0.00 C ATOM 328 NH1 ARG A 21 -6.748 -21.696 -24.642 1.00 0.00 N ATOM 329 NH2 ARG A 21 -8.091 -19.840 -24.771 1.00 0.00 N ATOM 0 H ARG A 21 -10.691 -23.500 -21.114 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.524 -23.679 -19.109 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.031 -21.482 -21.144 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.589 -21.728 -20.179 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.785 -22.712 -22.057 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.672 -24.113 -21.490 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.198 -23.677 -23.844 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.628 -23.460 -22.855 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.657 -21.182 -23.380 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.582 -22.646 -24.310 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.044 -21.224 -25.210 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.960 -19.359 -24.538 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.385 -19.371 -25.338 1.00 0.00 H new ATOM 343 N GLU A 22 -11.276 -22.069 -18.933 1.00 0.00 N ATOM 344 CA GLU A 22 -12.113 -21.213 -18.101 1.00 0.00 C ATOM 345 C GLU A 22 -12.694 -21.996 -16.927 1.00 0.00 C ATOM 346 O GLU A 22 -12.793 -23.222 -16.972 1.00 0.00 O ATOM 347 CB GLU A 22 -13.245 -20.606 -18.932 1.00 0.00 C ATOM 348 CG GLU A 22 -12.846 -19.339 -19.671 1.00 0.00 C ATOM 349 CD GLU A 22 -12.268 -19.622 -21.044 1.00 0.00 C ATOM 350 OE1 GLU A 22 -11.160 -20.196 -21.113 1.00 0.00 O ATOM 351 OE2 GLU A 22 -12.922 -19.271 -22.048 1.00 0.00 O ATOM 0 H GLU A 22 -11.786 -22.601 -19.638 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.489 -20.410 -17.708 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.590 -21.345 -19.655 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.087 -20.384 -18.276 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.718 -18.693 -19.774 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.113 -18.792 -19.078 1.00 0.00 H new ATOM 358 N VAL A 23 -13.075 -21.278 -15.875 1.00 0.00 N ATOM 359 CA VAL A 23 -13.646 -21.903 -14.688 1.00 0.00 C ATOM 360 C VAL A 23 -15.074 -21.428 -14.450 1.00 0.00 C ATOM 361 O VAL A 23 -15.519 -20.441 -15.037 1.00 0.00 O ATOM 362 CB VAL A 23 -12.801 -21.605 -13.435 1.00 0.00 C ATOM 363 CG1 VAL A 23 -11.595 -22.529 -13.372 1.00 0.00 C ATOM 364 CG2 VAL A 23 -12.367 -20.147 -13.421 1.00 0.00 C ATOM 0 H VAL A 23 -12.998 -20.262 -15.821 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.649 -22.978 -14.867 1.00 0.00 H new ATOM 0 HB VAL A 23 -13.414 -21.787 -12.552 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.010 -22.304 -12.480 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -11.932 -23.565 -13.333 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.977 -22.382 -14.258 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.771 -19.953 -12.529 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.771 -19.936 -14.309 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.248 -19.505 -13.415 1.00 0.00 H new ATOM 374 N THR A 24 -15.791 -22.137 -13.583 1.00 0.00 N ATOM 375 CA THR A 24 -17.170 -21.788 -13.266 1.00 0.00 C ATOM 376 C THR A 24 -17.234 -20.765 -12.137 1.00 0.00 C ATOM 377 O THR A 24 -16.595 -20.933 -11.099 1.00 0.00 O ATOM 378 CB THR A 24 -17.986 -23.031 -12.863 1.00 0.00 C ATOM 379 OG1 THR A 24 -17.892 -24.030 -13.885 1.00 0.00 O ATOM 380 CG2 THR A 24 -19.445 -22.670 -12.632 1.00 0.00 C ATOM 0 H THR A 24 -15.439 -22.956 -13.088 1.00 0.00 H new ATOM 0 HA THR A 24 -17.601 -21.356 -14.169 1.00 0.00 H new ATOM 0 HB THR A 24 -17.575 -23.423 -11.933 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.115 -24.906 -13.507 1.00 0.00 H new ATOM 0 HG21 THR A 24 -20.001 -23.564 -12.349 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.515 -21.931 -11.834 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.867 -22.256 -13.548 1.00 0.00 H new ATOM 388 N MET A 25 -18.009 -19.706 -12.348 1.00 0.00 N ATOM 389 CA MET A 25 -18.157 -18.657 -11.346 1.00 0.00 C ATOM 390 C MET A 25 -19.620 -18.484 -10.952 1.00 0.00 C ATOM 391 O MET A 25 -20.521 -18.956 -11.646 1.00 0.00 O ATOM 392 CB MET A 25 -17.599 -17.334 -11.875 1.00 0.00 C ATOM 393 CG MET A 25 -16.099 -17.186 -11.680 1.00 0.00 C ATOM 394 SD MET A 25 -15.527 -15.498 -11.957 1.00 0.00 S ATOM 395 CE MET A 25 -16.410 -15.083 -13.459 1.00 0.00 C ATOM 0 H MET A 25 -18.544 -19.552 -13.203 1.00 0.00 H new ATOM 0 HA MET A 25 -17.593 -18.953 -10.461 1.00 0.00 H new ATOM 0 HB2 MET A 25 -17.829 -17.251 -12.937 1.00 0.00 H new ATOM 0 HB3 MET A 25 -18.105 -16.509 -11.374 1.00 0.00 H new ATOM 0 HG2 MET A 25 -15.836 -17.493 -10.668 1.00 0.00 H new ATOM 0 HG3 MET A 25 -15.579 -17.858 -12.363 1.00 0.00 H new ATOM 0 HE1 MET A 25 -15.825 -14.369 -14.039 1.00 0.00 H new ATOM 0 HE2 MET A 25 -16.569 -15.986 -14.049 1.00 0.00 H new ATOM 0 HE3 MET A 25 -17.373 -14.641 -13.204 1.00 0.00 H new ATOM 405 N LYS A 26 -19.851 -17.805 -9.833 1.00 0.00 N ATOM 406 CA LYS A 26 -21.205 -17.568 -9.347 1.00 0.00 C ATOM 407 C LYS A 26 -21.376 -16.121 -8.896 1.00 0.00 C ATOM 408 O LYS A 26 -20.470 -15.533 -8.305 1.00 0.00 O ATOM 409 CB LYS A 26 -21.525 -18.516 -8.188 1.00 0.00 C ATOM 410 CG LYS A 26 -21.987 -19.891 -8.638 1.00 0.00 C ATOM 411 CD LYS A 26 -22.760 -20.606 -7.542 1.00 0.00 C ATOM 412 CE LYS A 26 -23.377 -21.900 -8.048 1.00 0.00 C ATOM 413 NZ LYS A 26 -22.343 -22.934 -8.332 1.00 0.00 N ATOM 0 H LYS A 26 -19.117 -17.409 -9.246 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.898 -17.758 -10.167 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -20.638 -18.626 -7.564 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -22.299 -18.067 -7.566 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -22.616 -19.793 -9.523 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -21.123 -20.490 -8.925 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -22.094 -20.822 -6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -23.545 -19.952 -7.163 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -24.079 -22.282 -7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -23.949 -21.700 -8.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -22.804 -23.801 -8.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -21.688 -22.580 -9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -21.814 -23.144 -7.462 1.00 0.00 H new ATOM 427 N LYS A 27 -22.543 -15.553 -9.176 1.00 0.00 N ATOM 428 CA LYS A 27 -22.835 -14.175 -8.798 1.00 0.00 C ATOM 429 C LYS A 27 -22.556 -13.948 -7.316 1.00 0.00 C ATOM 430 O LYS A 27 -23.279 -14.445 -6.454 1.00 0.00 O ATOM 431 CB LYS A 27 -24.295 -13.837 -9.110 1.00 0.00 C ATOM 432 CG LYS A 27 -25.286 -14.834 -8.536 1.00 0.00 C ATOM 433 CD LYS A 27 -26.673 -14.644 -9.127 1.00 0.00 C ATOM 434 CE LYS A 27 -27.537 -15.881 -8.931 1.00 0.00 C ATOM 435 NZ LYS A 27 -28.803 -15.803 -9.711 1.00 0.00 N ATOM 0 H LYS A 27 -23.304 -16.026 -9.664 1.00 0.00 H new ATOM 0 HA LYS A 27 -22.185 -13.520 -9.378 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -24.521 -12.846 -8.718 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.425 -13.789 -10.191 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -24.940 -15.848 -8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -25.332 -14.720 -7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -27.154 -13.785 -8.659 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.589 -14.422 -10.191 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -26.978 -16.766 -9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -27.769 -15.998 -7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -29.363 -16.664 -9.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -29.349 -14.973 -9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -28.582 -15.717 -10.724 1.00 0.00 H new ATOM 449 N GLY A 28 -21.501 -13.191 -7.026 1.00 0.00 N ATOM 450 CA GLY A 28 -21.146 -12.910 -5.647 1.00 0.00 C ATOM 451 C GLY A 28 -19.888 -13.637 -5.213 1.00 0.00 C ATOM 452 O GLY A 28 -19.534 -13.628 -4.034 1.00 0.00 O ATOM 0 H GLY A 28 -20.886 -12.768 -7.721 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.003 -11.837 -5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -21.972 -13.198 -4.996 1.00 0.00 H new ATOM 456 N ASP A 29 -19.213 -14.269 -6.167 1.00 0.00 N ATOM 457 CA ASP A 29 -17.988 -15.005 -5.876 1.00 0.00 C ATOM 458 C ASP A 29 -16.760 -14.128 -6.105 1.00 0.00 C ATOM 459 O ASP A 29 -16.562 -13.595 -7.197 1.00 0.00 O ATOM 460 CB ASP A 29 -17.903 -16.260 -6.746 1.00 0.00 C ATOM 461 CG ASP A 29 -18.829 -17.360 -6.267 1.00 0.00 C ATOM 462 OD1 ASP A 29 -19.977 -17.047 -5.888 1.00 0.00 O ATOM 463 OD2 ASP A 29 -18.406 -18.536 -6.268 1.00 0.00 O ATOM 0 H ASP A 29 -19.493 -14.286 -7.148 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.011 -15.300 -4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -18.152 -16.002 -7.776 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -16.877 -16.628 -6.748 1.00 0.00 H new ATOM 468 N ILE A 30 -15.942 -13.983 -5.069 1.00 0.00 N ATOM 469 CA ILE A 30 -14.734 -13.172 -5.158 1.00 0.00 C ATOM 470 C ILE A 30 -13.499 -14.043 -5.359 1.00 0.00 C ATOM 471 O ILE A 30 -13.203 -14.918 -4.544 1.00 0.00 O ATOM 472 CB ILE A 30 -14.541 -12.311 -3.895 1.00 0.00 C ATOM 473 CG1 ILE A 30 -15.784 -11.457 -3.638 1.00 0.00 C ATOM 474 CG2 ILE A 30 -13.307 -11.431 -4.038 1.00 0.00 C ATOM 475 CD1 ILE A 30 -15.786 -10.785 -2.283 1.00 0.00 C ATOM 0 H ILE A 30 -16.093 -14.416 -4.158 1.00 0.00 H new ATOM 0 HA ILE A 30 -14.857 -12.517 -6.021 1.00 0.00 H new ATOM 0 HB ILE A 30 -14.395 -12.972 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -15.857 -10.694 -4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.671 -12.085 -3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.184 -10.828 -3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.427 -12.059 -4.178 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.426 -10.775 -4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.697 -10.197 -2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.744 -11.543 -1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -14.918 -10.130 -2.200 1.00 0.00 H new ATOM 487 N LEU A 31 -12.781 -13.798 -6.450 1.00 0.00 N ATOM 488 CA LEU A 31 -11.576 -14.560 -6.758 1.00 0.00 C ATOM 489 C LEU A 31 -10.353 -13.649 -6.804 1.00 0.00 C ATOM 490 O LEU A 31 -10.477 -12.424 -6.797 1.00 0.00 O ATOM 491 CB LEU A 31 -11.735 -15.285 -8.096 1.00 0.00 C ATOM 492 CG LEU A 31 -12.967 -16.181 -8.231 1.00 0.00 C ATOM 493 CD1 LEU A 31 -13.220 -16.939 -6.937 1.00 0.00 C ATOM 494 CD2 LEU A 31 -14.187 -15.356 -8.615 1.00 0.00 C ATOM 0 H LEU A 31 -13.012 -13.079 -7.135 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.430 -15.296 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.764 -14.539 -8.890 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.847 -15.894 -8.264 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.780 -16.907 -9.023 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.100 -17.571 -7.052 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.355 -17.560 -6.704 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.386 -16.230 -6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.054 -16.010 -8.707 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.377 -14.607 -7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -14.005 -14.859 -9.568 1.00 0.00 H new ATOM 506 N THR A 32 -9.171 -14.255 -6.851 1.00 0.00 N ATOM 507 CA THR A 32 -7.925 -13.500 -6.899 1.00 0.00 C ATOM 508 C THR A 32 -7.543 -13.160 -8.335 1.00 0.00 C ATOM 509 O THR A 32 -7.449 -14.042 -9.189 1.00 0.00 O ATOM 510 CB THR A 32 -6.770 -14.279 -6.243 1.00 0.00 C ATOM 511 OG1 THR A 32 -7.108 -14.612 -4.892 1.00 0.00 O ATOM 512 CG2 THR A 32 -5.486 -13.463 -6.264 1.00 0.00 C ATOM 0 H THR A 32 -9.050 -15.268 -6.857 1.00 0.00 H new ATOM 0 HA THR A 32 -8.093 -12.578 -6.343 1.00 0.00 H new ATOM 0 HB THR A 32 -6.609 -15.194 -6.812 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.369 -15.109 -4.483 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.684 -14.034 -5.795 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.215 -13.237 -7.295 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.637 -12.533 -5.716 1.00 0.00 H new ATOM 520 N LEU A 33 -7.323 -11.876 -8.595 1.00 0.00 N ATOM 521 CA LEU A 33 -6.950 -11.418 -9.929 1.00 0.00 C ATOM 522 C LEU A 33 -5.537 -11.870 -10.284 1.00 0.00 C ATOM 523 O LEU A 33 -4.592 -11.642 -9.528 1.00 0.00 O ATOM 524 CB LEU A 33 -7.046 -9.894 -10.013 1.00 0.00 C ATOM 525 CG LEU A 33 -7.396 -9.318 -11.385 1.00 0.00 C ATOM 526 CD1 LEU A 33 -7.372 -7.798 -11.348 1.00 0.00 C ATOM 527 CD2 LEU A 33 -6.438 -9.843 -12.444 1.00 0.00 C ATOM 0 H LEU A 33 -7.396 -11.133 -7.900 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.644 -11.859 -10.645 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.796 -9.557 -9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.092 -9.472 -9.697 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.405 -9.638 -11.646 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.624 -7.406 -12.333 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.099 -7.440 -10.619 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.376 -7.457 -11.065 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.702 -9.422 -13.414 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.419 -9.553 -12.188 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.506 -10.930 -12.489 1.00 0.00 H new ATOM 539 N LEU A 34 -5.399 -12.512 -11.439 1.00 0.00 N ATOM 540 CA LEU A 34 -4.101 -12.994 -11.896 1.00 0.00 C ATOM 541 C LEU A 34 -3.714 -12.344 -13.221 1.00 0.00 C ATOM 542 O LEU A 34 -2.579 -11.905 -13.399 1.00 0.00 O ATOM 543 CB LEU A 34 -4.125 -14.516 -12.050 1.00 0.00 C ATOM 544 CG LEU A 34 -4.880 -15.288 -10.967 1.00 0.00 C ATOM 545 CD1 LEU A 34 -4.660 -16.784 -11.127 1.00 0.00 C ATOM 546 CD2 LEU A 34 -4.444 -14.828 -9.583 1.00 0.00 C ATOM 0 H LEU A 34 -6.171 -12.711 -12.076 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.357 -12.722 -11.148 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.569 -14.757 -13.016 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.096 -14.875 -12.074 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.945 -15.084 -11.077 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.205 -17.317 -10.348 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.021 -17.102 -12.105 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.596 -17.006 -11.043 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.991 -15.388 -8.824 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.375 -15.002 -9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.653 -13.764 -9.470 1.00 0.00 H new ATOM 558 N ASN A 35 -4.666 -12.284 -14.146 1.00 0.00 N ATOM 559 CA ASN A 35 -4.426 -11.686 -15.453 1.00 0.00 C ATOM 560 C ASN A 35 -5.519 -10.679 -15.801 1.00 0.00 C ATOM 561 O ASN A 35 -6.702 -11.017 -15.824 1.00 0.00 O ATOM 562 CB ASN A 35 -4.356 -12.771 -16.529 1.00 0.00 C ATOM 563 CG ASN A 35 -3.547 -12.338 -17.737 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.144 -11.502 -18.579 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -2.399 -12.749 -17.909 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.612 -12.643 -14.014 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.472 -11.160 -15.414 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.914 -13.672 -16.104 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.366 -13.030 -16.846 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.981 -13.391 -17.235 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.866 -12.448 -18.725 1.00 0.00 H new ATOM 572 N SER A 36 -5.113 -9.443 -16.070 1.00 0.00 N ATOM 573 CA SER A 36 -6.058 -8.386 -16.413 1.00 0.00 C ATOM 574 C SER A 36 -5.598 -7.628 -17.655 1.00 0.00 C ATOM 575 O SER A 36 -5.896 -6.445 -17.821 1.00 0.00 O ATOM 576 CB SER A 36 -6.219 -7.417 -15.241 1.00 0.00 C ATOM 577 OG SER A 36 -5.006 -7.280 -14.522 1.00 0.00 O ATOM 0 H SER A 36 -4.137 -9.148 -16.057 1.00 0.00 H new ATOM 0 HA SER A 36 -7.021 -8.849 -16.627 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.538 -6.443 -15.612 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.002 -7.776 -14.573 1.00 0.00 H new ATOM 0 HG SER A 36 -5.135 -6.654 -13.779 1.00 0.00 H new ATOM 583 N THR A 37 -4.868 -8.319 -18.526 1.00 0.00 N ATOM 584 CA THR A 37 -4.365 -7.713 -19.752 1.00 0.00 C ATOM 585 C THR A 37 -5.306 -7.975 -20.922 1.00 0.00 C ATOM 586 O THR A 37 -4.892 -7.960 -22.080 1.00 0.00 O ATOM 587 CB THR A 37 -2.963 -8.243 -20.107 1.00 0.00 C ATOM 588 OG1 THR A 37 -3.047 -9.612 -20.518 1.00 0.00 O ATOM 589 CG2 THR A 37 -2.022 -8.123 -18.918 1.00 0.00 C ATOM 0 H THR A 37 -4.612 -9.299 -18.404 1.00 0.00 H new ATOM 0 HA THR A 37 -4.305 -6.640 -19.571 1.00 0.00 H new ATOM 0 HB THR A 37 -2.568 -7.641 -20.925 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.411 -10.152 -19.785 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.038 -8.503 -19.193 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.938 -7.077 -18.625 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.415 -8.703 -18.083 1.00 0.00 H new ATOM 597 N ASN A 38 -6.576 -8.215 -20.611 1.00 0.00 N ATOM 598 CA ASN A 38 -7.577 -8.481 -21.638 1.00 0.00 C ATOM 599 C ASN A 38 -8.967 -8.070 -21.162 1.00 0.00 C ATOM 600 O ASN A 38 -9.627 -8.806 -20.428 1.00 0.00 O ATOM 601 CB ASN A 38 -7.572 -9.964 -22.013 1.00 0.00 C ATOM 602 CG ASN A 38 -7.476 -10.182 -23.511 1.00 0.00 C ATOM 603 OD1 ASN A 38 -6.596 -10.896 -23.990 1.00 0.00 O ATOM 604 ND2 ASN A 38 -8.384 -9.564 -24.257 1.00 0.00 N ATOM 0 H ASN A 38 -6.936 -8.231 -19.657 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.324 -7.890 -22.518 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.733 -10.457 -21.522 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.481 -10.434 -21.638 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.370 -9.672 -25.271 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.096 -8.981 -23.816 1.00 0.00 H new ATOM 611 N LYS A 39 -9.407 -6.890 -21.585 1.00 0.00 N ATOM 612 CA LYS A 39 -10.719 -6.380 -21.205 1.00 0.00 C ATOM 613 C LYS A 39 -11.805 -7.416 -21.478 1.00 0.00 C ATOM 614 O LYS A 39 -12.833 -7.444 -20.801 1.00 0.00 O ATOM 615 CB LYS A 39 -11.027 -5.089 -21.966 1.00 0.00 C ATOM 616 CG LYS A 39 -10.733 -5.175 -23.454 1.00 0.00 C ATOM 617 CD LYS A 39 -11.422 -4.061 -24.224 1.00 0.00 C ATOM 618 CE LYS A 39 -10.930 -2.691 -23.783 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.484 -2.498 -24.083 1.00 0.00 N ATOM 0 H LYS A 39 -8.873 -6.268 -22.192 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.704 -6.169 -20.136 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.078 -4.837 -21.826 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -10.444 -4.275 -21.535 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.657 -5.119 -23.617 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -11.064 -6.141 -23.836 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.239 -4.188 -25.291 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.500 -4.127 -24.075 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.511 -1.917 -24.285 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.098 -2.572 -22.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.231 -1.499 -23.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.915 -3.092 -23.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.295 -2.767 -25.070 1.00 0.00 H new ATOM 633 N ASP A 40 -11.569 -8.266 -22.471 1.00 0.00 N ATOM 634 CA ASP A 40 -12.526 -9.305 -22.831 1.00 0.00 C ATOM 635 C ASP A 40 -12.661 -10.331 -21.711 1.00 0.00 C ATOM 636 O ASP A 40 -13.703 -10.422 -21.062 1.00 0.00 O ATOM 637 CB ASP A 40 -12.096 -9.998 -24.125 1.00 0.00 C ATOM 638 CG ASP A 40 -11.879 -9.019 -25.262 1.00 0.00 C ATOM 639 OD1 ASP A 40 -12.548 -7.964 -25.273 1.00 0.00 O ATOM 640 OD2 ASP A 40 -11.039 -9.306 -26.140 1.00 0.00 O ATOM 0 H ASP A 40 -10.723 -8.256 -23.041 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.496 -8.833 -22.986 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.175 -10.554 -23.947 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.856 -10.724 -24.415 1.00 0.00 H new ATOM 645 N TRP A 41 -11.602 -11.102 -21.491 1.00 0.00 N ATOM 646 CA TRP A 41 -11.603 -12.123 -20.449 1.00 0.00 C ATOM 647 C TRP A 41 -10.495 -11.866 -19.433 1.00 0.00 C ATOM 648 O TRP A 41 -9.446 -11.318 -19.772 1.00 0.00 O ATOM 649 CB TRP A 41 -11.433 -13.511 -21.067 1.00 0.00 C ATOM 650 CG TRP A 41 -12.370 -13.773 -22.207 1.00 0.00 C ATOM 651 CD1 TRP A 41 -12.260 -13.299 -23.484 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.561 -14.568 -22.174 1.00 0.00 C ATOM 653 NE1 TRP A 41 -13.310 -13.752 -24.245 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.122 -14.533 -23.465 1.00 0.00 C ATOM 655 CE3 TRP A 41 -14.206 -15.307 -21.179 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -15.297 -15.208 -23.785 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -15.372 -15.976 -21.497 1.00 0.00 C ATOM 658 CH2 TRP A 41 -15.908 -15.924 -22.791 1.00 0.00 C ATOM 0 H TRP A 41 -10.732 -11.040 -22.020 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.561 -12.078 -19.932 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.407 -13.622 -21.417 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -11.590 -14.266 -20.296 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.465 -12.662 -23.842 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -13.461 -13.541 -25.231 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -13.800 -15.354 -20.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -15.711 -15.168 -24.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.879 -16.549 -20.735 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -16.821 -16.459 -23.008 1.00 0.00 H new ATOM 669 N TRP A 42 -10.735 -12.264 -18.189 1.00 0.00 N ATOM 670 CA TRP A 42 -9.756 -12.076 -17.125 1.00 0.00 C ATOM 671 C TRP A 42 -9.440 -13.399 -16.437 1.00 0.00 C ATOM 672 O TRP A 42 -10.303 -14.269 -16.314 1.00 0.00 O ATOM 673 CB TRP A 42 -10.274 -11.065 -16.100 1.00 0.00 C ATOM 674 CG TRP A 42 -10.193 -9.645 -16.574 1.00 0.00 C ATOM 675 CD1 TRP A 42 -9.406 -9.159 -17.579 1.00 0.00 C ATOM 676 CD2 TRP A 42 -10.927 -8.528 -16.061 1.00 0.00 C ATOM 677 NE1 TRP A 42 -9.605 -7.807 -17.721 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.535 -7.396 -16.803 1.00 0.00 C ATOM 679 CE3 TRP A 42 -11.879 -8.373 -15.050 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -11.061 -6.130 -16.562 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -12.400 -7.116 -14.812 1.00 0.00 C ATOM 682 CH2 TRP A 42 -11.991 -6.007 -15.565 1.00 0.00 C ATOM 0 H TRP A 42 -11.599 -12.719 -17.892 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.839 -11.692 -17.572 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.310 -11.301 -15.858 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.701 -11.166 -15.178 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.727 -9.751 -18.175 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.136 -7.207 -18.400 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.202 -9.221 -14.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.746 -5.275 -17.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.135 -6.986 -14.032 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.417 -5.037 -15.355 1.00 0.00 H new ATOM 693 N LYS A 43 -8.198 -13.545 -15.988 1.00 0.00 N ATOM 694 CA LYS A 43 -7.767 -14.762 -15.310 1.00 0.00 C ATOM 695 C LYS A 43 -7.828 -14.592 -13.795 1.00 0.00 C ATOM 696 O LYS A 43 -7.094 -13.788 -13.221 1.00 0.00 O ATOM 697 CB LYS A 43 -6.344 -15.132 -15.735 1.00 0.00 C ATOM 698 CG LYS A 43 -6.023 -16.607 -15.569 1.00 0.00 C ATOM 699 CD LYS A 43 -4.547 -16.828 -15.284 1.00 0.00 C ATOM 700 CE LYS A 43 -3.751 -17.001 -16.569 1.00 0.00 C ATOM 701 NZ LYS A 43 -3.777 -18.409 -17.052 1.00 0.00 N ATOM 0 H LYS A 43 -7.472 -12.835 -16.081 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.445 -15.566 -15.596 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.202 -14.853 -16.779 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.635 -14.547 -15.149 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.618 -17.020 -14.754 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.304 -17.146 -16.474 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.153 -15.981 -14.722 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.425 -17.711 -14.657 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.157 -16.345 -17.339 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.719 -16.694 -16.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.963 -18.577 -17.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.729 -19.056 -16.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.658 -18.579 -17.578 1.00 0.00 H new ATOM 715 N VAL A 44 -8.708 -15.355 -13.153 1.00 0.00 N ATOM 716 CA VAL A 44 -8.862 -15.290 -11.705 1.00 0.00 C ATOM 717 C VAL A 44 -8.457 -16.605 -11.050 1.00 0.00 C ATOM 718 O VAL A 44 -8.263 -17.613 -11.728 1.00 0.00 O ATOM 719 CB VAL A 44 -10.314 -14.958 -11.310 1.00 0.00 C ATOM 720 CG1 VAL A 44 -10.767 -13.668 -11.976 1.00 0.00 C ATOM 721 CG2 VAL A 44 -11.240 -16.109 -11.672 1.00 0.00 C ATOM 0 H VAL A 44 -9.324 -16.025 -13.613 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.206 -14.495 -11.352 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.355 -14.814 -10.230 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.795 -13.450 -11.685 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.119 -12.849 -11.662 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.712 -13.779 -13.059 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.261 -15.858 -11.386 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.197 -16.286 -12.747 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.926 -17.009 -11.143 1.00 0.00 H new ATOM 731 N GLU A 45 -8.332 -16.587 -9.726 1.00 0.00 N ATOM 732 CA GLU A 45 -7.949 -17.779 -8.979 1.00 0.00 C ATOM 733 C GLU A 45 -8.974 -18.092 -7.893 1.00 0.00 C ATOM 734 O GLU A 45 -9.354 -17.220 -7.111 1.00 0.00 O ATOM 735 CB GLU A 45 -6.566 -17.593 -8.353 1.00 0.00 C ATOM 736 CG GLU A 45 -5.735 -18.865 -8.324 1.00 0.00 C ATOM 737 CD GLU A 45 -4.280 -18.604 -7.985 1.00 0.00 C ATOM 738 OE1 GLU A 45 -3.969 -17.486 -7.524 1.00 0.00 O ATOM 739 OE2 GLU A 45 -3.452 -19.518 -8.181 1.00 0.00 O ATOM 0 H GLU A 45 -8.490 -15.761 -9.150 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.914 -18.618 -9.674 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.025 -16.828 -8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.684 -17.223 -7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.157 -19.553 -7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.795 -19.356 -9.295 1.00 0.00 H new ATOM 746 N VAL A 46 -9.418 -19.345 -7.849 1.00 0.00 N ATOM 747 CA VAL A 46 -10.398 -19.775 -6.859 1.00 0.00 C ATOM 748 C VAL A 46 -9.781 -20.750 -5.863 1.00 0.00 C ATOM 749 O VAL A 46 -8.613 -21.121 -5.982 1.00 0.00 O ATOM 750 CB VAL A 46 -11.615 -20.442 -7.527 1.00 0.00 C ATOM 751 CG1 VAL A 46 -12.233 -19.513 -8.560 1.00 0.00 C ATOM 752 CG2 VAL A 46 -11.215 -21.766 -8.160 1.00 0.00 C ATOM 0 H VAL A 46 -9.114 -20.080 -8.488 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.728 -18.880 -6.331 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.364 -20.643 -6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.091 -20.001 -9.021 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.557 -18.593 -8.074 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.494 -19.278 -9.326 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.087 -22.224 -8.627 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.448 -21.591 -8.915 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.823 -22.433 -7.392 1.00 0.00 H new ATOM 762 N LYS A 47 -10.572 -21.161 -4.878 1.00 0.00 N ATOM 763 CA LYS A 47 -10.106 -22.095 -3.860 1.00 0.00 C ATOM 764 C LYS A 47 -10.810 -23.442 -3.994 1.00 0.00 C ATOM 765 O LYS A 47 -12.005 -23.502 -4.281 1.00 0.00 O ATOM 766 CB LYS A 47 -10.345 -21.519 -2.463 1.00 0.00 C ATOM 767 CG LYS A 47 -9.224 -20.615 -1.978 1.00 0.00 C ATOM 768 CD LYS A 47 -9.730 -19.586 -0.981 1.00 0.00 C ATOM 769 CE LYS A 47 -9.863 -20.178 0.413 1.00 0.00 C ATOM 770 NZ LYS A 47 -10.368 -19.179 1.395 1.00 0.00 N ATOM 0 H LYS A 47 -11.540 -20.861 -4.763 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.037 -22.248 -4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.279 -20.957 -2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.470 -22.340 -1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.443 -21.218 -1.515 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.771 -20.106 -2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.046 -18.738 -0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.697 -19.205 -1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.541 -21.031 0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.894 -20.553 0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.444 -19.622 2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.709 -18.376 1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.304 -18.840 1.095 1.00 0.00 H new ATOM 784 N ALA A 48 -10.062 -24.519 -3.781 1.00 0.00 N ATOM 785 CA ALA A 48 -10.616 -25.864 -3.875 1.00 0.00 C ATOM 786 C ALA A 48 -10.927 -26.427 -2.492 1.00 0.00 C ATOM 787 O ALA A 48 -10.598 -25.818 -1.473 1.00 0.00 O ATOM 788 CB ALA A 48 -9.654 -26.781 -4.616 1.00 0.00 C ATOM 0 H ALA A 48 -9.071 -24.487 -3.542 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.550 -25.807 -4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.081 -27.782 -4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.485 -26.395 -5.621 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.706 -26.824 -4.080 1.00 0.00 H new ATOM 794 N THR A 49 -11.563 -27.594 -2.462 1.00 0.00 N ATOM 795 CA THR A 49 -11.920 -28.238 -1.204 1.00 0.00 C ATOM 796 C THR A 49 -11.838 -29.756 -1.321 1.00 0.00 C ATOM 797 O THR A 49 -12.415 -30.350 -2.231 1.00 0.00 O ATOM 798 CB THR A 49 -13.340 -27.845 -0.755 1.00 0.00 C ATOM 799 OG1 THR A 49 -13.743 -28.653 0.356 1.00 0.00 O ATOM 800 CG2 THR A 49 -14.333 -28.010 -1.895 1.00 0.00 C ATOM 0 H THR A 49 -11.842 -28.113 -3.295 1.00 0.00 H new ATOM 0 HA THR A 49 -11.203 -27.894 -0.458 1.00 0.00 H new ATOM 0 HB THR A 49 -13.326 -26.797 -0.456 1.00 0.00 H new ATOM 0 HG1 THR A 49 -14.646 -28.396 0.637 1.00 0.00 H new ATOM 0 HG21 THR A 49 -15.329 -27.727 -1.554 1.00 0.00 H new ATOM 0 HG22 THR A 49 -14.039 -27.372 -2.728 1.00 0.00 H new ATOM 0 HG23 THR A 49 -14.343 -29.050 -2.221 1.00 0.00 H new ATOM 808 N ALA A 50 -11.117 -30.378 -0.394 1.00 0.00 N ATOM 809 CA ALA A 50 -10.962 -31.827 -0.391 1.00 0.00 C ATOM 810 C ALA A 50 -10.214 -32.297 0.851 1.00 0.00 C ATOM 811 O ALA A 50 -9.201 -31.714 1.235 1.00 0.00 O ATOM 812 CB ALA A 50 -10.238 -32.282 -1.650 1.00 0.00 C ATOM 0 H ALA A 50 -10.631 -29.900 0.365 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.956 -32.274 -0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.129 -33.366 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.814 -31.987 -2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.252 -31.819 -1.690 1.00 0.00 H new ATOM 818 N ASN A 51 -10.720 -33.356 1.476 1.00 0.00 N ATOM 819 CA ASN A 51 -10.099 -33.904 2.677 1.00 0.00 C ATOM 820 C ASN A 51 -9.969 -32.835 3.757 1.00 0.00 C ATOM 821 O ASN A 51 -8.978 -32.793 4.487 1.00 0.00 O ATOM 822 CB ASN A 51 -8.721 -34.481 2.346 1.00 0.00 C ATOM 823 CG ASN A 51 -8.736 -35.328 1.088 1.00 0.00 C ATOM 824 OD1 ASN A 51 -8.994 -36.530 1.138 1.00 0.00 O ATOM 825 ND2 ASN A 51 -8.459 -34.701 -0.050 1.00 0.00 N ATOM 0 H ASN A 51 -11.558 -33.851 1.171 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.738 -34.702 3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.009 -33.665 2.223 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.372 -35.085 3.184 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.455 -35.218 -0.929 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.251 -33.703 -0.045 1.00 0.00 H new ATOM 832 N ASP A 52 -10.976 -31.974 3.854 1.00 0.00 N ATOM 833 CA ASP A 52 -10.975 -30.905 4.847 1.00 0.00 C ATOM 834 C ASP A 52 -9.805 -29.953 4.620 1.00 0.00 C ATOM 835 O ASP A 52 -9.330 -29.303 5.551 1.00 0.00 O ATOM 836 CB ASP A 52 -10.905 -31.491 6.258 1.00 0.00 C ATOM 837 CG ASP A 52 -11.560 -30.595 7.290 1.00 0.00 C ATOM 838 OD1 ASP A 52 -12.791 -30.401 7.212 1.00 0.00 O ATOM 839 OD2 ASP A 52 -10.842 -30.087 8.177 1.00 0.00 O ATOM 0 H ASP A 52 -11.803 -31.995 3.258 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.903 -30.343 4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.391 -32.467 6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.862 -31.652 6.530 1.00 0.00 H new ATOM 844 N LYS A 53 -9.345 -29.876 3.376 1.00 0.00 N ATOM 845 CA LYS A 53 -8.231 -29.003 3.024 1.00 0.00 C ATOM 846 C LYS A 53 -8.615 -28.062 1.886 1.00 0.00 C ATOM 847 O LYS A 53 -9.407 -28.418 1.013 1.00 0.00 O ATOM 848 CB LYS A 53 -7.011 -29.835 2.623 1.00 0.00 C ATOM 849 CG LYS A 53 -6.362 -30.564 3.787 1.00 0.00 C ATOM 850 CD LYS A 53 -5.229 -31.462 3.320 1.00 0.00 C ATOM 851 CE LYS A 53 -4.279 -31.797 4.459 1.00 0.00 C ATOM 852 NZ LYS A 53 -3.036 -32.455 3.969 1.00 0.00 N ATOM 0 H LYS A 53 -9.727 -30.408 2.594 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.982 -28.403 3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.311 -30.564 1.870 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.273 -29.181 2.158 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.980 -29.838 4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.111 -31.162 4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.640 -32.382 2.905 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.679 -30.969 2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.020 -30.885 4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.781 -32.453 5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.415 -32.667 4.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.281 -33.339 3.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.543 -31.819 3.310 1.00 0.00 H new ATOM 866 N THR A 54 -8.048 -26.860 1.901 1.00 0.00 N ATOM 867 CA THR A 54 -8.330 -25.869 0.871 1.00 0.00 C ATOM 868 C THR A 54 -7.130 -25.675 -0.049 1.00 0.00 C ATOM 869 O THR A 54 -6.008 -25.466 0.413 1.00 0.00 O ATOM 870 CB THR A 54 -8.713 -24.511 1.488 1.00 0.00 C ATOM 871 OG1 THR A 54 -9.361 -24.711 2.749 1.00 0.00 O ATOM 872 CG2 THR A 54 -9.633 -23.734 0.557 1.00 0.00 C ATOM 0 H THR A 54 -7.390 -26.549 2.616 1.00 0.00 H new ATOM 0 HA THR A 54 -9.172 -26.247 0.291 1.00 0.00 H new ATOM 0 HB THR A 54 -7.800 -23.934 1.637 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.600 -23.843 3.135 1.00 0.00 H new ATOM 0 HG21 THR A 54 -9.890 -22.778 1.014 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.126 -23.558 -0.392 1.00 0.00 H new ATOM 0 HG23 THR A 54 -10.542 -24.309 0.381 1.00 0.00 H new ATOM 880 N TYR A 55 -7.373 -25.746 -1.353 1.00 0.00 N ATOM 881 CA TYR A 55 -6.311 -25.581 -2.339 1.00 0.00 C ATOM 882 C TYR A 55 -6.511 -24.301 -3.145 1.00 0.00 C ATOM 883 O TYR A 55 -7.441 -23.535 -2.893 1.00 0.00 O ATOM 884 CB TYR A 55 -6.266 -26.787 -3.278 1.00 0.00 C ATOM 885 CG TYR A 55 -6.179 -28.113 -2.558 1.00 0.00 C ATOM 886 CD1 TYR A 55 -7.328 -28.778 -2.145 1.00 0.00 C ATOM 887 CD2 TYR A 55 -4.950 -28.701 -2.288 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.254 -29.989 -1.485 1.00 0.00 C ATOM 889 CE2 TYR A 55 -4.866 -29.913 -1.631 1.00 0.00 C ATOM 890 CZ TYR A 55 -6.021 -30.553 -1.231 1.00 0.00 C ATOM 891 OH TYR A 55 -5.942 -31.760 -0.574 1.00 0.00 O ATOM 0 H TYR A 55 -8.296 -25.917 -1.752 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.363 -25.509 -1.806 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.157 -26.782 -3.905 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.408 -26.687 -3.943 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.295 -28.340 -2.344 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.044 -28.202 -2.597 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.156 -30.492 -1.170 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.902 -30.357 -1.432 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.002 -32.018 -0.476 1.00 0.00 H new ATOM 901 N GLU A 56 -5.631 -24.078 -4.116 1.00 0.00 N ATOM 902 CA GLU A 56 -5.711 -22.891 -4.960 1.00 0.00 C ATOM 903 C GLU A 56 -5.561 -23.260 -6.433 1.00 0.00 C ATOM 904 O GLU A 56 -4.601 -23.925 -6.823 1.00 0.00 O ATOM 905 CB GLU A 56 -4.630 -21.883 -4.563 1.00 0.00 C ATOM 906 CG GLU A 56 -4.602 -21.575 -3.075 1.00 0.00 C ATOM 907 CD GLU A 56 -3.765 -22.567 -2.290 1.00 0.00 C ATOM 908 OE1 GLU A 56 -3.171 -23.468 -2.918 1.00 0.00 O ATOM 909 OE2 GLU A 56 -3.706 -22.442 -1.049 1.00 0.00 O ATOM 0 H GLU A 56 -4.856 -24.702 -4.338 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.692 -22.438 -4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.656 -22.270 -4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.789 -20.956 -5.114 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.206 -20.571 -2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.621 -21.578 -2.688 1.00 0.00 H new ATOM 916 N ARG A 57 -6.517 -22.823 -7.246 1.00 0.00 N ATOM 917 CA ARG A 57 -6.494 -23.108 -8.676 1.00 0.00 C ATOM 918 C ARG A 57 -6.820 -21.856 -9.485 1.00 0.00 C ATOM 919 O ARG A 57 -7.569 -20.991 -9.033 1.00 0.00 O ATOM 920 CB ARG A 57 -7.489 -24.220 -9.012 1.00 0.00 C ATOM 921 CG ARG A 57 -7.573 -24.533 -10.497 1.00 0.00 C ATOM 922 CD ARG A 57 -8.225 -25.884 -10.745 1.00 0.00 C ATOM 923 NE ARG A 57 -9.627 -25.899 -10.338 1.00 0.00 N ATOM 924 CZ ARG A 57 -10.485 -26.850 -10.691 1.00 0.00 C ATOM 925 NH1 ARG A 57 -10.085 -27.858 -11.454 1.00 0.00 N ATOM 926 NH2 ARG A 57 -11.746 -26.794 -10.281 1.00 0.00 N ATOM 0 H ARG A 57 -7.317 -22.270 -6.939 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.489 -23.438 -8.939 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.205 -25.125 -8.474 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.477 -23.932 -8.653 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.144 -23.754 -11.003 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.572 -24.526 -10.929 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.152 -26.132 -11.804 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.681 -26.655 -10.199 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.966 -25.138 -9.750 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.117 -27.905 -11.771 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.746 -28.587 -11.724 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.058 -26.020 -9.694 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.404 -27.525 -10.553 1.00 0.00 H new ATOM 940 N GLN A 58 -6.251 -21.768 -10.683 1.00 0.00 N ATOM 941 CA GLN A 58 -6.481 -20.621 -11.555 1.00 0.00 C ATOM 942 C GLN A 58 -7.448 -20.978 -12.679 1.00 0.00 C ATOM 943 O GLN A 58 -7.628 -22.149 -13.008 1.00 0.00 O ATOM 944 CB GLN A 58 -5.158 -20.126 -12.141 1.00 0.00 C ATOM 945 CG GLN A 58 -4.456 -21.156 -13.013 1.00 0.00 C ATOM 946 CD GLN A 58 -3.152 -20.640 -13.589 1.00 0.00 C ATOM 947 OE1 GLN A 58 -2.924 -20.707 -14.797 1.00 0.00 O ATOM 948 NE2 GLN A 58 -2.286 -20.122 -12.725 1.00 0.00 N ATOM 0 H GLN A 58 -5.628 -22.476 -11.072 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.925 -19.825 -10.958 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.345 -19.229 -12.731 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.494 -19.839 -11.326 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.260 -22.052 -12.424 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.118 -21.449 -13.828 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.516 -20.086 -11.732 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.391 -19.760 -13.055 1.00 0.00 H new ATOM 957 N GLY A 59 -8.068 -19.958 -13.265 1.00 0.00 N ATOM 958 CA GLY A 59 -9.009 -20.184 -14.346 1.00 0.00 C ATOM 959 C GLY A 59 -9.449 -18.895 -15.011 1.00 0.00 C ATOM 960 O GLY A 59 -9.564 -17.858 -14.358 1.00 0.00 O ATOM 0 H GLY A 59 -7.935 -18.979 -13.010 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.552 -20.836 -15.091 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.884 -20.706 -13.959 1.00 0.00 H new ATOM 964 N PHE A 60 -9.695 -18.958 -16.316 1.00 0.00 N ATOM 965 CA PHE A 60 -10.123 -17.786 -17.071 1.00 0.00 C ATOM 966 C PHE A 60 -11.632 -17.588 -16.961 1.00 0.00 C ATOM 967 O PHE A 60 -12.380 -18.543 -16.749 1.00 0.00 O ATOM 968 CB PHE A 60 -9.721 -17.926 -18.541 1.00 0.00 C ATOM 969 CG PHE A 60 -8.364 -17.361 -18.848 1.00 0.00 C ATOM 970 CD1 PHE A 60 -8.196 -16.002 -19.057 1.00 0.00 C ATOM 971 CD2 PHE A 60 -7.256 -18.189 -18.928 1.00 0.00 C ATOM 972 CE1 PHE A 60 -6.948 -15.479 -19.340 1.00 0.00 C ATOM 973 CE2 PHE A 60 -6.006 -17.673 -19.211 1.00 0.00 C ATOM 974 CZ PHE A 60 -5.852 -16.316 -19.416 1.00 0.00 C ATOM 0 H PHE A 60 -9.605 -19.808 -16.872 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.629 -16.912 -16.648 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.737 -18.981 -18.815 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.463 -17.424 -19.162 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.050 -15.343 -18.998 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.371 -19.251 -18.767 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -6.830 -14.418 -19.501 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -5.151 -18.330 -19.272 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.876 -15.910 -19.635 1.00 0.00 H new ATOM 984 N VAL A 61 -12.071 -16.342 -17.104 1.00 0.00 N ATOM 985 CA VAL A 61 -13.490 -16.018 -17.022 1.00 0.00 C ATOM 986 C VAL A 61 -13.802 -14.723 -17.763 1.00 0.00 C ATOM 987 O VAL A 61 -12.933 -13.879 -17.982 1.00 0.00 O ATOM 988 CB VAL A 61 -13.950 -15.882 -15.558 1.00 0.00 C ATOM 989 CG1 VAL A 61 -14.234 -17.250 -14.958 1.00 0.00 C ATOM 990 CG2 VAL A 61 -12.907 -15.137 -14.739 1.00 0.00 C ATOM 0 H VAL A 61 -11.465 -15.540 -17.277 1.00 0.00 H new ATOM 0 HA VAL A 61 -14.030 -16.840 -17.491 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.874 -15.305 -15.538 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.558 -17.134 -13.924 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.020 -17.743 -15.531 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.328 -17.856 -14.989 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.248 -15.050 -13.708 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.965 -15.685 -14.764 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.759 -14.141 -15.157 1.00 0.00 H new ATOM 1000 N PRO A 62 -15.073 -14.560 -18.161 1.00 0.00 N ATOM 1001 CA PRO A 62 -15.529 -13.369 -18.883 1.00 0.00 C ATOM 1002 C PRO A 62 -15.543 -12.125 -18.001 1.00 0.00 C ATOM 1003 O PRO A 62 -16.176 -12.108 -16.946 1.00 0.00 O ATOM 1004 CB PRO A 62 -16.953 -13.737 -19.310 1.00 0.00 C ATOM 1005 CG PRO A 62 -17.395 -14.755 -18.316 1.00 0.00 C ATOM 1006 CD PRO A 62 -16.161 -15.525 -17.935 1.00 0.00 C ATOM 0 HA PRO A 62 -14.870 -13.120 -19.715 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.607 -12.865 -19.301 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -16.971 -14.139 -20.323 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.843 -14.280 -17.444 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -18.150 -15.415 -18.743 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -16.197 -15.854 -16.896 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -16.040 -16.418 -18.548 1.00 0.00 H new ATOM 1014 N ALA A 63 -14.841 -11.086 -18.441 1.00 0.00 N ATOM 1015 CA ALA A 63 -14.774 -9.837 -17.692 1.00 0.00 C ATOM 1016 C ALA A 63 -16.154 -9.201 -17.563 1.00 0.00 C ATOM 1017 O ALA A 63 -16.367 -8.324 -16.727 1.00 0.00 O ATOM 1018 CB ALA A 63 -13.806 -8.872 -18.360 1.00 0.00 C ATOM 0 H ALA A 63 -14.311 -11.084 -19.312 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.411 -10.062 -16.689 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.766 -7.944 -17.790 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.813 -9.319 -18.395 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.145 -8.661 -19.374 1.00 0.00 H new ATOM 1024 N ALA A 64 -17.087 -9.647 -18.398 1.00 0.00 N ATOM 1025 CA ALA A 64 -18.446 -9.121 -18.375 1.00 0.00 C ATOM 1026 C ALA A 64 -19.246 -9.717 -17.222 1.00 0.00 C ATOM 1027 O ALA A 64 -20.398 -9.346 -16.996 1.00 0.00 O ATOM 1028 CB ALA A 64 -19.141 -9.399 -19.700 1.00 0.00 C ATOM 0 H ALA A 64 -16.926 -10.371 -19.098 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.390 -8.043 -18.225 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.155 -9.001 -19.669 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.588 -8.921 -20.508 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.178 -10.475 -19.873 1.00 0.00 H new ATOM 1034 N TYR A 65 -18.629 -10.642 -16.495 1.00 0.00 N ATOM 1035 CA TYR A 65 -19.285 -11.291 -15.367 1.00 0.00 C ATOM 1036 C TYR A 65 -18.482 -11.096 -14.084 1.00 0.00 C ATOM 1037 O TYR A 65 -18.601 -11.874 -13.138 1.00 0.00 O ATOM 1038 CB TYR A 65 -19.467 -12.784 -15.645 1.00 0.00 C ATOM 1039 CG TYR A 65 -20.449 -13.077 -16.757 1.00 0.00 C ATOM 1040 CD1 TYR A 65 -20.159 -12.738 -18.073 1.00 0.00 C ATOM 1041 CD2 TYR A 65 -21.665 -13.693 -16.492 1.00 0.00 C ATOM 1042 CE1 TYR A 65 -21.054 -13.003 -19.092 1.00 0.00 C ATOM 1043 CE2 TYR A 65 -22.565 -13.964 -17.504 1.00 0.00 C ATOM 1044 CZ TYR A 65 -22.255 -13.617 -18.803 1.00 0.00 C ATOM 1045 OH TYR A 65 -23.148 -13.884 -19.815 1.00 0.00 O ATOM 0 H TYR A 65 -17.675 -10.959 -16.667 1.00 0.00 H new ATOM 0 HA TYR A 65 -20.264 -10.831 -15.236 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.500 -13.218 -15.901 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -19.806 -13.276 -14.733 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -19.219 -12.259 -18.303 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -21.911 -13.965 -15.476 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -20.814 -12.731 -20.109 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -23.506 -14.445 -17.280 1.00 0.00 H new ATOM 0 HH TYR A 65 -23.943 -14.320 -19.443 1.00 0.00 H new ATOM 1055 N VAL A 66 -17.663 -10.049 -14.060 1.00 0.00 N ATOM 1056 CA VAL A 66 -16.841 -9.748 -12.894 1.00 0.00 C ATOM 1057 C VAL A 66 -16.584 -8.250 -12.774 1.00 0.00 C ATOM 1058 O VAL A 66 -16.864 -7.485 -13.697 1.00 0.00 O ATOM 1059 CB VAL A 66 -15.490 -10.486 -12.954 1.00 0.00 C ATOM 1060 CG1 VAL A 66 -15.706 -11.989 -13.048 1.00 0.00 C ATOM 1061 CG2 VAL A 66 -14.661 -9.985 -14.127 1.00 0.00 C ATOM 0 H VAL A 66 -17.551 -9.395 -14.835 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.395 -10.090 -12.020 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.942 -10.278 -12.035 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.741 -12.493 -13.089 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.258 -12.333 -12.173 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.275 -12.219 -13.949 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -13.710 -10.517 -14.154 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.202 -10.161 -15.057 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.476 -8.917 -14.012 1.00 0.00 H new ATOM 1071 N LYS A 67 -16.048 -7.837 -11.631 1.00 0.00 N ATOM 1072 CA LYS A 67 -15.750 -6.430 -11.389 1.00 0.00 C ATOM 1073 C LYS A 67 -14.766 -6.273 -10.234 1.00 0.00 C ATOM 1074 O LYS A 67 -15.019 -6.734 -9.121 1.00 0.00 O ATOM 1075 CB LYS A 67 -17.037 -5.661 -11.084 1.00 0.00 C ATOM 1076 CG LYS A 67 -16.826 -4.166 -10.912 1.00 0.00 C ATOM 1077 CD LYS A 67 -16.972 -3.428 -12.232 1.00 0.00 C ATOM 1078 CE LYS A 67 -15.626 -3.239 -12.917 1.00 0.00 C ATOM 1079 NZ LYS A 67 -14.943 -1.996 -12.463 1.00 0.00 N ATOM 0 H LYS A 67 -15.811 -8.457 -10.857 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.294 -6.021 -12.290 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -17.750 -5.828 -11.891 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -17.484 -6.063 -10.175 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -17.547 -3.776 -10.194 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.834 -3.983 -10.499 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.641 -3.984 -12.889 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.432 -2.456 -12.057 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.989 -4.099 -12.711 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.770 -3.201 -13.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.030 -1.903 -12.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.539 -1.172 -12.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.782 -2.043 -11.437 1.00 0.00 H new ATOM 1093 N LYS A 68 -13.642 -5.619 -10.506 1.00 0.00 N ATOM 1094 CA LYS A 68 -12.619 -5.398 -9.490 1.00 0.00 C ATOM 1095 C LYS A 68 -13.198 -4.660 -8.287 1.00 0.00 C ATOM 1096 O LYS A 68 -13.948 -3.694 -8.440 1.00 0.00 O ATOM 1097 CB LYS A 68 -11.452 -4.602 -10.077 1.00 0.00 C ATOM 1098 CG LYS A 68 -10.202 -4.631 -9.214 1.00 0.00 C ATOM 1099 CD LYS A 68 -9.363 -3.379 -9.407 1.00 0.00 C ATOM 1100 CE LYS A 68 -8.856 -3.262 -10.836 1.00 0.00 C ATOM 1101 NZ LYS A 68 -7.985 -4.410 -11.211 1.00 0.00 N ATOM 0 H LYS A 68 -13.416 -5.232 -11.422 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.256 -6.371 -9.157 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.212 -4.999 -11.063 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.763 -3.567 -10.217 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.485 -4.723 -8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.608 -5.510 -9.462 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.957 -2.500 -9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.517 -3.397 -8.720 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.704 -3.211 -11.519 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.299 -2.332 -10.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.473 -4.186 -12.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.302 -4.591 -10.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.571 -5.256 -11.359 1.00 0.00 H new ATOM 1115 N LEU A 69 -12.846 -5.119 -7.092 1.00 0.00 N ATOM 1116 CA LEU A 69 -13.330 -4.501 -5.862 1.00 0.00 C ATOM 1117 C LEU A 69 -12.353 -3.441 -5.364 1.00 0.00 C ATOM 1118 O LEU A 69 -12.744 -2.311 -5.071 1.00 0.00 O ATOM 1119 CB LEU A 69 -13.540 -5.564 -4.782 1.00 0.00 C ATOM 1120 CG LEU A 69 -14.458 -6.728 -5.155 1.00 0.00 C ATOM 1121 CD1 LEU A 69 -14.100 -7.969 -4.352 1.00 0.00 C ATOM 1122 CD2 LEU A 69 -15.915 -6.350 -4.936 1.00 0.00 C ATOM 0 H LEU A 69 -12.227 -5.917 -6.948 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.283 -4.018 -6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.567 -5.969 -4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.946 -5.077 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.317 -6.952 -6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.764 -8.787 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.068 -8.252 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.211 -7.759 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.554 -7.191 -5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.072 -6.098 -3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.165 -5.490 -5.557 1.00 0.00 H new ATOM 1134 N ASP A 70 -11.080 -3.812 -5.275 1.00 0.00 N ATOM 1135 CA ASP A 70 -10.046 -2.892 -4.816 1.00 0.00 C ATOM 1136 C ASP A 70 -10.033 -1.623 -5.664 1.00 0.00 C ATOM 1137 O ASP A 70 -9.030 -1.302 -6.303 1.00 0.00 O ATOM 1138 CB ASP A 70 -8.674 -3.567 -4.866 1.00 0.00 C ATOM 1139 CG ASP A 70 -7.665 -2.895 -3.955 1.00 0.00 C ATOM 1140 OD1 ASP A 70 -8.084 -2.089 -3.097 1.00 0.00 O ATOM 1141 OD2 ASP A 70 -6.457 -3.176 -4.100 1.00 0.00 O ATOM 0 H ASP A 70 -10.740 -4.743 -5.515 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.270 -2.617 -3.785 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.777 -4.614 -4.580 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.302 -3.551 -5.890 1.00 0.00 H new TER 1146 ASP A 70