USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 698 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 58 ASN : amide:sc= 1.01 K(o=2.8,f=0.51) USER MOD Set 1.2: A 69 THR OG1 : rot 30:sc= 1.74 USER MOD Set 2.1: A 26 THR OG1 : rot -84:sc= 1.79 USER MOD Set 2.2: A 45 GLN : amide:sc= 0.501 K(o=5.9,f=4.4) USER MOD Set 2.3: A 68 TYR OH : rot 66:sc= 3.58 USER MOD Set 3.1: A 21 HIS : no HD1:sc= 0.629 K(o=0.82,f=-7.2!) USER MOD Set 3.2: A 22 SER OG : rot 180:sc= 0.188 USER MOD Set 4.1: A 6 GLN : amide:sc= 1.97 K(o=2.8,f=-6.2!) USER MOD Set 4.2: A 81 LYS NZ :NH3+ -150:sc= 0.877 (180deg=-0.142) USER MOD Set 5.1: A 3 LYS NZ :NH3+ -149:sc= 1.09 (180deg=-0.108) USER MOD Set 5.2: A 71 ASN : amide:sc= 1.76 K(o=2.8,f=-3.1!) USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.000201) USER MOD Single : A 1 MET N :NH3+ 179:sc= 1.54 (180deg=1.34) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -68:sc= 1.91 USER MOD Single : A 15 MET CE :methyl -149:sc= -0.797 (180deg=-2.22) USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= 0.772 (180deg=0.351) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 3:sc= 0.255 USER MOD Single : A 25 ASN : amide:sc= -0.0478 K(o=-0.048,f=-11!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 174:sc=-0.00321 (180deg=-0.0368) USER MOD Single : A 34 SER OG : rot 76:sc= 1.26 USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0131) USER MOD Single : A 36 THR OG1 : rot -73:sc= 0.709 USER MOD Single : A 37 SER OG : rot 95:sc= 0.995 USER MOD Single : A 38 THR OG1 : rot -55:sc= 1.05 USER MOD Single : A 40 SER OG : rot 180:sc= 0.195 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -170:sc= -0.215 USER MOD Single : A 46 THR OG1 : rot 69:sc= 1.25 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0.519 (180deg=0.451) USER MOD Single : A 59 HIS : no HD1:sc= -0.223 K(o=-0.22,f=-1.7) USER MOD Single : A 60 HIS : no HD1:sc= -0.0632 X(o=-0.063,f=-0.13) USER MOD Single : A 61 LYS NZ :NH3+ -116:sc= 0.152 (180deg=-0.0114) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0277 USER MOD Single : A 77 TYR OH : rot -46:sc= 1.2 USER MOD Single : A 82 SER OG : rot -38:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.254 11.875 3.392 1.00 0.00 N ATOM 2 CA MET A 1 7.725 11.057 4.488 1.00 0.00 C ATOM 3 C MET A 1 6.559 11.801 5.137 1.00 0.00 C ATOM 4 O MET A 1 6.589 13.028 5.135 1.00 0.00 O ATOM 5 CB MET A 1 8.800 10.698 5.520 1.00 0.00 C ATOM 6 CG MET A 1 9.939 9.868 4.911 1.00 0.00 C ATOM 7 SD MET A 1 11.185 9.297 6.096 1.00 0.00 S ATOM 8 CE MET A 1 10.297 7.948 6.909 1.00 0.00 C ATOM 0 H1 MET A 1 9.060 11.387 2.952 1.00 0.00 H new ATOM 0 H2 MET A 1 7.510 12.025 2.681 1.00 0.00 H new ATOM 0 H3 MET A 1 8.567 12.794 3.765 1.00 0.00 H new ATOM 0 HA MET A 1 7.376 10.109 4.078 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.209 11.613 5.948 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.344 10.140 6.337 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.509 9.000 4.411 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.434 10.464 4.145 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.943 7.485 7.655 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.405 8.341 7.396 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.008 7.204 6.167 1.00 0.00 H new ATOM 20 N LYS A 2 5.560 11.084 5.671 1.00 0.00 N ATOM 21 CA LYS A 2 4.338 11.651 6.248 1.00 0.00 C ATOM 22 C LYS A 2 3.549 12.285 5.098 1.00 0.00 C ATOM 23 O LYS A 2 3.755 13.444 4.745 1.00 0.00 O ATOM 24 CB LYS A 2 4.644 12.617 7.406 1.00 0.00 C ATOM 25 CG LYS A 2 3.370 13.000 8.170 1.00 0.00 C ATOM 26 CD LYS A 2 3.719 13.938 9.332 1.00 0.00 C ATOM 27 CE LYS A 2 2.455 14.333 10.104 1.00 0.00 C ATOM 28 NZ LYS A 2 2.772 15.236 11.223 1.00 0.00 N ATOM 0 H LYS A 2 5.583 10.065 5.713 1.00 0.00 H new ATOM 0 HA LYS A 2 3.726 10.877 6.711 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.354 12.153 8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.119 13.517 7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.665 13.488 7.497 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.880 12.103 8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.424 13.447 10.004 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.212 14.832 8.950 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.751 14.820 9.429 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.964 13.437 10.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.897 15.486 11.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.425 14.761 11.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.219 16.100 10.856 1.00 0.00 H new ATOM 42 N LYS A 3 2.660 11.493 4.492 1.00 0.00 N ATOM 43 CA LYS A 3 1.949 11.806 3.262 1.00 0.00 C ATOM 44 C LYS A 3 2.985 11.814 2.140 1.00 0.00 C ATOM 45 O LYS A 3 3.068 10.829 1.415 1.00 0.00 O ATOM 46 CB LYS A 3 1.101 13.090 3.315 1.00 0.00 C ATOM 47 CG LYS A 3 -0.124 12.920 4.219 1.00 0.00 C ATOM 48 CD LYS A 3 -1.003 14.176 4.148 1.00 0.00 C ATOM 49 CE LYS A 3 -2.272 14.048 5.000 1.00 0.00 C ATOM 50 NZ LYS A 3 -3.150 12.959 4.532 1.00 0.00 N ATOM 0 H LYS A 3 2.410 10.578 4.866 1.00 0.00 H new ATOM 0 HA LYS A 3 1.193 11.041 3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.712 13.915 3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.777 13.355 2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.697 12.046 3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.193 12.745 5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.428 15.039 4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.282 14.363 3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.994 13.867 6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.820 14.990 4.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.141 13.204 4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.023 12.826 3.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.906 12.078 5.028 1.00 0.00 H new ATOM 64 N ILE A 4 3.790 12.884 2.053 1.00 0.00 N ATOM 65 CA ILE A 4 4.885 13.123 1.102 1.00 0.00 C ATOM 66 C ILE A 4 5.551 11.777 0.764 1.00 0.00 C ATOM 67 O ILE A 4 6.345 11.295 1.575 1.00 0.00 O ATOM 68 CB ILE A 4 5.870 14.124 1.751 1.00 0.00 C ATOM 69 CG1 ILE A 4 5.191 15.493 1.967 1.00 0.00 C ATOM 70 CG2 ILE A 4 7.163 14.322 0.944 1.00 0.00 C ATOM 71 CD1 ILE A 4 6.068 16.476 2.748 1.00 0.00 C ATOM 0 H ILE A 4 3.683 13.667 2.698 1.00 0.00 H new ATOM 0 HA ILE A 4 4.527 13.554 0.167 1.00 0.00 H new ATOM 0 HB ILE A 4 6.150 13.685 2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.942 15.926 0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.252 15.347 2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.807 15.036 1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.682 13.368 0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.918 14.702 -0.048 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.537 17.420 2.868 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.296 16.060 3.729 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.996 16.648 2.203 1.00 0.00 H new ATOM 83 N PRO A 5 5.226 11.151 -0.382 1.00 0.00 N ATOM 84 CA PRO A 5 5.647 9.790 -0.670 1.00 0.00 C ATOM 85 C PRO A 5 6.887 9.687 -1.568 1.00 0.00 C ATOM 86 O PRO A 5 7.157 10.553 -2.399 1.00 0.00 O ATOM 87 CB PRO A 5 4.418 9.177 -1.343 1.00 0.00 C ATOM 88 CG PRO A 5 3.853 10.334 -2.163 1.00 0.00 C ATOM 89 CD PRO A 5 4.186 11.564 -1.317 1.00 0.00 C ATOM 0 HA PRO A 5 5.960 9.275 0.238 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.686 8.330 -1.974 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.697 8.814 -0.610 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.312 10.389 -3.150 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.779 10.231 -2.317 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.532 12.385 -1.945 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.304 11.920 -0.785 1.00 0.00 H new ATOM 97 N GLN A 6 7.614 8.576 -1.400 1.00 0.00 N ATOM 98 CA GLN A 6 8.770 8.155 -2.179 1.00 0.00 C ATOM 99 C GLN A 6 8.442 6.726 -2.616 1.00 0.00 C ATOM 100 O GLN A 6 8.487 5.819 -1.787 1.00 0.00 O ATOM 101 CB GLN A 6 10.037 8.190 -1.316 1.00 0.00 C ATOM 102 CG GLN A 6 10.498 9.618 -1.007 1.00 0.00 C ATOM 103 CD GLN A 6 11.861 9.620 -0.314 1.00 0.00 C ATOM 104 OE1 GLN A 6 12.788 8.948 -0.754 1.00 0.00 O ATOM 105 NE2 GLN A 6 12.021 10.369 0.771 1.00 0.00 N ATOM 0 H GLN A 6 7.389 7.906 -0.664 1.00 0.00 H new ATOM 0 HA GLN A 6 8.961 8.808 -3.031 1.00 0.00 H new ATOM 0 HB2 GLN A 6 9.850 7.662 -0.381 1.00 0.00 H new ATOM 0 HB3 GLN A 6 10.837 7.657 -1.829 1.00 0.00 H new ATOM 0 HG2 GLN A 6 10.556 10.192 -1.931 1.00 0.00 H new ATOM 0 HG3 GLN A 6 9.763 10.111 -0.371 1.00 0.00 H new ATOM 0 HE21 GLN A 6 11.243 10.923 1.127 1.00 0.00 H new ATOM 0 HE22 GLN A 6 12.922 10.390 1.248 1.00 0.00 H new ATOM 114 N ILE A 7 8.065 6.534 -3.883 1.00 0.00 N ATOM 115 CA ILE A 7 7.557 5.265 -4.399 1.00 0.00 C ATOM 116 C ILE A 7 8.540 4.565 -5.336 1.00 0.00 C ATOM 117 O ILE A 7 9.400 5.195 -5.946 1.00 0.00 O ATOM 118 CB ILE A 7 6.213 5.542 -5.098 1.00 0.00 C ATOM 119 CG1 ILE A 7 5.203 6.219 -4.159 1.00 0.00 C ATOM 120 CG2 ILE A 7 5.582 4.286 -5.724 1.00 0.00 C ATOM 121 CD1 ILE A 7 4.860 5.337 -2.961 1.00 0.00 C ATOM 0 H ILE A 7 8.106 7.269 -4.589 1.00 0.00 H new ATOM 0 HA ILE A 7 7.419 4.576 -3.566 1.00 0.00 H new ATOM 0 HB ILE A 7 6.453 6.228 -5.911 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.612 7.166 -3.807 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.293 6.451 -4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.638 4.552 -6.200 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.260 3.871 -6.470 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.400 3.544 -4.946 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.143 5.853 -2.323 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.426 4.401 -3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.766 5.127 -2.393 1.00 0.00 H new ATOM 133 N SER A 8 8.379 3.242 -5.437 1.00 0.00 N ATOM 134 CA SER A 8 9.081 2.338 -6.332 1.00 0.00 C ATOM 135 C SER A 8 7.997 1.484 -7.002 1.00 0.00 C ATOM 136 O SER A 8 6.915 1.341 -6.435 1.00 0.00 O ATOM 137 CB SER A 8 10.087 1.504 -5.528 1.00 0.00 C ATOM 138 OG SER A 8 9.472 0.912 -4.398 1.00 0.00 O ATOM 0 H SER A 8 7.706 2.747 -4.851 1.00 0.00 H new ATOM 0 HA SER A 8 9.661 2.857 -7.095 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.510 0.727 -6.164 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.914 2.137 -5.206 1.00 0.00 H new ATOM 0 HG SER A 8 9.225 1.611 -3.757 1.00 0.00 H new ATOM 144 N ASP A 9 8.254 0.919 -8.187 1.00 0.00 N ATOM 145 CA ASP A 9 7.257 0.156 -8.946 1.00 0.00 C ATOM 146 C ASP A 9 6.493 -0.865 -8.093 1.00 0.00 C ATOM 147 O ASP A 9 5.263 -0.927 -8.131 1.00 0.00 O ATOM 148 CB ASP A 9 7.928 -0.538 -10.134 1.00 0.00 C ATOM 149 CG ASP A 9 6.925 -1.398 -10.900 1.00 0.00 C ATOM 150 OD1 ASP A 9 6.169 -0.809 -11.702 1.00 0.00 O ATOM 151 OD2 ASP A 9 6.929 -2.624 -10.657 1.00 0.00 O ATOM 0 H ASP A 9 9.162 0.978 -8.648 1.00 0.00 H new ATOM 0 HA ASP A 9 6.516 0.872 -9.301 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.357 0.209 -10.802 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.751 -1.160 -9.780 1.00 0.00 H new ATOM 156 N ALA A 10 7.225 -1.666 -7.317 1.00 0.00 N ATOM 157 CA ALA A 10 6.617 -2.687 -6.479 1.00 0.00 C ATOM 158 C ALA A 10 5.624 -2.078 -5.484 1.00 0.00 C ATOM 159 O ALA A 10 4.564 -2.645 -5.229 1.00 0.00 O ATOM 160 CB ALA A 10 7.702 -3.498 -5.773 1.00 0.00 C ATOM 0 H ALA A 10 8.242 -1.623 -7.255 1.00 0.00 H new ATOM 0 HA ALA A 10 6.046 -3.363 -7.115 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.237 -4.260 -5.148 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.340 -3.977 -6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.304 -2.836 -5.151 1.00 0.00 H new ATOM 166 N GLU A 11 5.961 -0.914 -4.926 1.00 0.00 N ATOM 167 CA GLU A 11 5.061 -0.203 -4.037 1.00 0.00 C ATOM 168 C GLU A 11 3.886 0.337 -4.850 1.00 0.00 C ATOM 169 O GLU A 11 2.738 0.208 -4.435 1.00 0.00 O ATOM 170 CB GLU A 11 5.811 0.935 -3.342 1.00 0.00 C ATOM 171 CG GLU A 11 6.746 0.414 -2.251 1.00 0.00 C ATOM 172 CD GLU A 11 7.495 1.571 -1.602 1.00 0.00 C ATOM 173 OE1 GLU A 11 8.284 2.211 -2.337 1.00 0.00 O ATOM 174 OE2 GLU A 11 7.262 1.801 -0.397 1.00 0.00 O ATOM 0 H GLU A 11 6.855 -0.448 -5.079 1.00 0.00 H new ATOM 0 HA GLU A 11 4.682 -0.878 -3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.388 1.494 -4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.094 1.630 -2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.172 -0.125 -1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.456 -0.294 -2.678 1.00 0.00 H new ATOM 181 N LEU A 12 4.162 0.940 -6.010 1.00 0.00 N ATOM 182 CA LEU A 12 3.136 1.515 -6.869 1.00 0.00 C ATOM 183 C LEU A 12 2.020 0.492 -7.121 1.00 0.00 C ATOM 184 O LEU A 12 0.847 0.828 -6.979 1.00 0.00 O ATOM 185 CB LEU A 12 3.762 2.048 -8.168 1.00 0.00 C ATOM 186 CG LEU A 12 2.816 2.822 -9.105 1.00 0.00 C ATOM 187 CD1 LEU A 12 2.032 1.906 -10.053 1.00 0.00 C ATOM 188 CD2 LEU A 12 1.857 3.751 -8.353 1.00 0.00 C ATOM 0 H LEU A 12 5.109 1.041 -6.376 1.00 0.00 H new ATOM 0 HA LEU A 12 2.677 2.368 -6.369 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.595 2.700 -7.906 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.178 1.205 -8.720 1.00 0.00 H new ATOM 0 HG LEU A 12 3.475 3.444 -9.711 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.383 2.509 -10.688 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.729 1.345 -10.676 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.426 1.212 -9.470 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.217 4.268 -9.067 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.241 3.164 -7.672 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.431 4.483 -7.784 1.00 0.00 H new ATOM 200 N GLU A 13 2.367 -0.758 -7.463 1.00 0.00 N ATOM 201 CA GLU A 13 1.377 -1.826 -7.640 1.00 0.00 C ATOM 202 C GLU A 13 0.412 -1.886 -6.453 1.00 0.00 C ATOM 203 O GLU A 13 -0.807 -1.958 -6.611 1.00 0.00 O ATOM 204 CB GLU A 13 2.090 -3.177 -7.740 1.00 0.00 C ATOM 205 CG GLU A 13 2.730 -3.408 -9.114 1.00 0.00 C ATOM 206 CD GLU A 13 1.687 -3.850 -10.139 1.00 0.00 C ATOM 207 OE1 GLU A 13 1.356 -5.057 -10.126 1.00 0.00 O ATOM 208 OE2 GLU A 13 1.220 -2.972 -10.898 1.00 0.00 O ATOM 0 H GLU A 13 3.330 -1.053 -7.623 1.00 0.00 H new ATOM 0 HA GLU A 13 0.817 -1.614 -8.551 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.860 -3.235 -6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.376 -3.976 -7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.212 -2.491 -9.453 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.509 -4.166 -9.033 1.00 0.00 H new ATOM 215 N VAL A 14 0.985 -1.884 -5.250 1.00 0.00 N ATOM 216 CA VAL A 14 0.230 -1.933 -4.017 1.00 0.00 C ATOM 217 C VAL A 14 -0.682 -0.707 -3.930 1.00 0.00 C ATOM 218 O VAL A 14 -1.879 -0.851 -3.677 1.00 0.00 O ATOM 219 CB VAL A 14 1.205 -2.127 -2.840 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.579 -1.777 -1.489 1.00 0.00 C ATOM 221 CG2 VAL A 14 1.739 -3.560 -2.841 1.00 0.00 C ATOM 0 H VAL A 14 1.995 -1.848 -5.112 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.444 -2.789 -3.979 1.00 0.00 H new ATOM 0 HB VAL A 14 2.032 -1.432 -2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.312 -1.933 -0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.265 -0.733 -1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.287 -2.415 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.428 -3.692 -2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.908 -4.258 -2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.262 -3.753 -3.778 1.00 0.00 H new ATOM 231 N MET A 15 -0.141 0.490 -4.181 1.00 0.00 N ATOM 232 CA MET A 15 -0.947 1.706 -4.156 1.00 0.00 C ATOM 233 C MET A 15 -2.149 1.577 -5.089 1.00 0.00 C ATOM 234 O MET A 15 -3.277 1.836 -4.686 1.00 0.00 O ATOM 235 CB MET A 15 -0.163 2.947 -4.573 1.00 0.00 C ATOM 236 CG MET A 15 1.163 3.126 -3.859 1.00 0.00 C ATOM 237 SD MET A 15 1.938 4.708 -4.234 1.00 0.00 S ATOM 238 CE MET A 15 1.280 5.659 -2.857 1.00 0.00 C ATOM 0 H MET A 15 0.844 0.638 -4.402 1.00 0.00 H new ATOM 0 HA MET A 15 -1.267 1.826 -3.121 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.021 2.901 -5.646 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.779 3.828 -4.393 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.007 3.047 -2.783 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.837 2.318 -4.143 1.00 0.00 H new ATOM 0 HE1 MET A 15 1.159 6.700 -3.158 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.313 5.252 -2.563 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.969 5.603 -2.014 1.00 0.00 H new ATOM 248 N LYS A 16 -1.885 1.190 -6.340 1.00 0.00 N ATOM 249 CA LYS A 16 -2.881 1.001 -7.382 1.00 0.00 C ATOM 250 C LYS A 16 -3.999 0.093 -6.867 1.00 0.00 C ATOM 251 O LYS A 16 -5.169 0.476 -6.899 1.00 0.00 O ATOM 252 CB LYS A 16 -2.174 0.440 -8.623 1.00 0.00 C ATOM 253 CG LYS A 16 -3.083 0.240 -9.844 1.00 0.00 C ATOM 254 CD LYS A 16 -2.414 -0.680 -10.878 1.00 0.00 C ATOM 255 CE LYS A 16 -1.079 -0.123 -11.391 1.00 0.00 C ATOM 256 NZ LYS A 16 -0.452 -1.031 -12.368 1.00 0.00 N ATOM 0 H LYS A 16 -0.936 0.994 -6.660 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.353 1.944 -7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.363 1.114 -8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.720 -0.517 -8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.033 -0.190 -9.529 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.306 1.205 -10.299 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.246 -1.660 -10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.090 -0.825 -11.721 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.244 0.851 -11.852 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.402 0.032 -10.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.139 -0.481 -13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.140 -1.724 -11.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.192 -1.529 -12.903 1.00 0.00 H new ATOM 270 N VAL A 17 -3.642 -1.102 -6.384 1.00 0.00 N ATOM 271 CA VAL A 17 -4.615 -2.037 -5.850 1.00 0.00 C ATOM 272 C VAL A 17 -5.457 -1.375 -4.758 1.00 0.00 C ATOM 273 O VAL A 17 -6.681 -1.487 -4.773 1.00 0.00 O ATOM 274 CB VAL A 17 -3.893 -3.308 -5.363 1.00 0.00 C ATOM 275 CG1 VAL A 17 -4.661 -4.008 -4.242 1.00 0.00 C ATOM 276 CG2 VAL A 17 -3.752 -4.282 -6.534 1.00 0.00 C ATOM 0 H VAL A 17 -2.679 -1.438 -6.356 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.312 -2.335 -6.633 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.919 -3.009 -4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.116 -4.899 -3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.766 -3.330 -3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.649 -4.295 -4.602 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.242 -5.184 -6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.741 -4.543 -6.911 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.173 -3.813 -7.330 1.00 0.00 H new ATOM 286 N ILE A 18 -4.816 -0.698 -3.803 1.00 0.00 N ATOM 287 CA ILE A 18 -5.552 -0.075 -2.714 1.00 0.00 C ATOM 288 C ILE A 18 -6.501 1.002 -3.261 1.00 0.00 C ATOM 289 O ILE A 18 -7.703 0.930 -3.021 1.00 0.00 O ATOM 290 CB ILE A 18 -4.588 0.452 -1.640 1.00 0.00 C ATOM 291 CG1 ILE A 18 -3.703 -0.673 -1.059 1.00 0.00 C ATOM 292 CG2 ILE A 18 -5.404 1.095 -0.506 1.00 0.00 C ATOM 293 CD1 ILE A 18 -2.419 -0.098 -0.477 1.00 0.00 C ATOM 0 H ILE A 18 -3.805 -0.571 -3.765 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.177 -0.821 -2.223 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.930 1.186 -2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.251 -1.211 -0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.463 -1.395 -1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.727 1.472 0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.995 1.919 -0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.069 0.350 -0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.809 -0.906 -0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.864 0.419 -1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.663 0.605 0.319 1.00 0.00 H new ATOM 305 N TRP A 19 -5.975 1.984 -4.002 1.00 0.00 N ATOM 306 CA TRP A 19 -6.747 3.080 -4.583 1.00 0.00 C ATOM 307 C TRP A 19 -7.917 2.579 -5.436 1.00 0.00 C ATOM 308 O TRP A 19 -8.941 3.251 -5.520 1.00 0.00 O ATOM 309 CB TRP A 19 -5.839 3.995 -5.420 1.00 0.00 C ATOM 310 CG TRP A 19 -4.847 4.867 -4.699 1.00 0.00 C ATOM 311 CD1 TRP A 19 -5.086 5.581 -3.574 1.00 0.00 C ATOM 312 CD2 TRP A 19 -3.495 5.233 -5.115 1.00 0.00 C ATOM 313 NE1 TRP A 19 -3.978 6.338 -3.245 1.00 0.00 N ATOM 314 CE2 TRP A 19 -2.978 6.179 -4.180 1.00 0.00 C ATOM 315 CE3 TRP A 19 -2.654 4.878 -6.194 1.00 0.00 C ATOM 316 CZ2 TRP A 19 -1.704 6.748 -4.313 1.00 0.00 C ATOM 317 CZ3 TRP A 19 -1.363 5.425 -6.320 1.00 0.00 C ATOM 318 CH2 TRP A 19 -0.899 6.378 -5.400 1.00 0.00 C ATOM 0 H TRP A 19 -4.979 2.037 -4.217 1.00 0.00 H new ATOM 0 HA TRP A 19 -7.166 3.648 -3.753 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.285 3.366 -6.117 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.480 4.644 -6.017 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.010 5.562 -3.014 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -3.909 6.935 -2.421 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -3.008 4.175 -6.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -1.346 7.463 -3.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -0.724 5.109 -7.131 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.076 6.825 -5.529 1.00 0.00 H new ATOM 329 N LYS A 20 -7.769 1.429 -6.102 1.00 0.00 N ATOM 330 CA LYS A 20 -8.849 0.858 -6.898 1.00 0.00 C ATOM 331 C LYS A 20 -10.076 0.527 -6.030 1.00 0.00 C ATOM 332 O LYS A 20 -11.197 0.504 -6.538 1.00 0.00 O ATOM 333 CB LYS A 20 -8.323 -0.376 -7.649 1.00 0.00 C ATOM 334 CG LYS A 20 -9.329 -1.023 -8.615 1.00 0.00 C ATOM 335 CD LYS A 20 -9.910 -0.071 -9.671 1.00 0.00 C ATOM 336 CE LYS A 20 -8.821 0.598 -10.519 1.00 0.00 C ATOM 337 NZ LYS A 20 -9.408 1.411 -11.597 1.00 0.00 N ATOM 0 H LYS A 20 -6.910 0.879 -6.103 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.185 1.594 -7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.434 -0.090 -8.211 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.011 -1.122 -6.918 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.840 -1.853 -9.124 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.150 -1.444 -8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.585 -0.625 -10.323 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.504 0.697 -9.176 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.198 1.227 -9.884 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.171 -0.165 -10.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.647 1.851 -12.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.983 0.804 -12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.009 2.153 -11.184 1.00 0.00 H new ATOM 351 N HIS A 21 -9.870 0.244 -4.740 1.00 0.00 N ATOM 352 CA HIS A 21 -10.908 -0.097 -3.772 1.00 0.00 C ATOM 353 C HIS A 21 -11.152 1.124 -2.862 1.00 0.00 C ATOM 354 O HIS A 21 -10.472 2.138 -3.005 1.00 0.00 O ATOM 355 CB HIS A 21 -10.407 -1.341 -3.023 1.00 0.00 C ATOM 356 CG HIS A 21 -11.451 -2.170 -2.315 1.00 0.00 C ATOM 357 ND1 HIS A 21 -12.705 -1.672 -1.957 1.00 0.00 N ATOM 358 CD2 HIS A 21 -11.371 -3.480 -1.921 1.00 0.00 C ATOM 359 CE1 HIS A 21 -13.303 -2.684 -1.318 1.00 0.00 C ATOM 360 NE2 HIS A 21 -12.545 -3.792 -1.271 1.00 0.00 N ATOM 0 H HIS A 21 -8.937 0.247 -4.329 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.871 -0.333 -4.226 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.889 -1.982 -3.736 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -9.669 -1.021 -2.287 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -10.538 -4.147 -2.089 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -14.290 -2.617 -0.886 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -12.789 -4.684 -0.841 1.00 0.00 H new ATOM 368 N SER A 22 -12.123 1.084 -1.940 1.00 0.00 N ATOM 369 CA SER A 22 -12.377 2.216 -1.045 1.00 0.00 C ATOM 370 C SER A 22 -11.183 2.322 -0.097 1.00 0.00 C ATOM 371 O SER A 22 -10.514 3.348 0.012 1.00 0.00 O ATOM 372 CB SER A 22 -13.681 1.947 -0.288 1.00 0.00 C ATOM 373 OG SER A 22 -13.688 0.611 0.191 1.00 0.00 O ATOM 0 H SER A 22 -12.741 0.285 -1.796 1.00 0.00 H new ATOM 0 HA SER A 22 -12.488 3.157 -1.584 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.780 2.643 0.545 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.535 2.113 -0.945 1.00 0.00 H new ATOM 0 HG SER A 22 -14.523 0.442 0.676 1.00 0.00 H new ATOM 379 N SER A 23 -10.957 1.253 0.656 1.00 0.00 N ATOM 380 CA SER A 23 -9.656 0.953 1.219 1.00 0.00 C ATOM 381 C SER A 23 -9.462 -0.523 0.860 1.00 0.00 C ATOM 382 O SER A 23 -10.200 -1.013 0.010 1.00 0.00 O ATOM 383 CB SER A 23 -9.692 1.279 2.712 1.00 0.00 C ATOM 384 OG SER A 23 -9.834 2.682 2.845 1.00 0.00 O ATOM 0 H SER A 23 -11.677 0.570 0.892 1.00 0.00 H new ATOM 0 HA SER A 23 -8.811 1.531 0.843 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.522 0.763 3.196 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.778 0.940 3.199 1.00 0.00 H new ATOM 0 HG SER A 23 -9.921 3.088 1.957 1.00 0.00 H new ATOM 390 N ILE A 24 -8.618 -1.300 1.537 1.00 0.00 N ATOM 391 CA ILE A 24 -8.555 -2.733 1.256 1.00 0.00 C ATOM 392 C ILE A 24 -8.098 -3.494 2.495 1.00 0.00 C ATOM 393 O ILE A 24 -7.281 -2.943 3.238 1.00 0.00 O ATOM 394 CB ILE A 24 -7.722 -2.973 -0.012 1.00 0.00 C ATOM 395 CG1 ILE A 24 -7.886 -4.395 -0.555 1.00 0.00 C ATOM 396 CG2 ILE A 24 -6.255 -2.659 0.255 1.00 0.00 C ATOM 397 CD1 ILE A 24 -7.495 -4.481 -2.034 1.00 0.00 C ATOM 0 H ILE A 24 -7.984 -0.973 2.266 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.544 -3.135 1.034 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.095 -2.298 -0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.269 -5.081 0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.921 -4.715 -0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.675 -2.833 -0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.155 -1.616 0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.884 -3.303 1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.624 -5.505 -2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.130 -3.814 -2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.453 -4.185 -2.153 1.00 0.00 H new ATOM 409 N ASN A 25 -8.578 -4.727 2.720 1.00 0.00 N ATOM 410 CA ASN A 25 -8.071 -5.546 3.823 1.00 0.00 C ATOM 411 C ASN A 25 -6.884 -6.369 3.343 1.00 0.00 C ATOM 412 O ASN A 25 -6.702 -6.569 2.144 1.00 0.00 O ATOM 413 CB ASN A 25 -9.131 -6.409 4.522 1.00 0.00 C ATOM 414 CG ASN A 25 -9.594 -7.631 3.738 1.00 0.00 C ATOM 415 OD1 ASN A 25 -8.781 -8.437 3.297 1.00 0.00 O ATOM 416 ND2 ASN A 25 -10.903 -7.815 3.599 1.00 0.00 N ATOM 0 H ASN A 25 -9.306 -5.171 2.160 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.745 -4.856 4.601 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.731 -6.742 5.480 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.999 -5.786 4.738 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.253 -8.642 3.116 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.557 -7.129 3.975 1.00 0.00 H new ATOM 423 N THR A 26 -6.080 -6.869 4.278 1.00 0.00 N ATOM 424 CA THR A 26 -4.870 -7.594 3.915 1.00 0.00 C ATOM 425 C THR A 26 -5.130 -8.853 3.078 1.00 0.00 C ATOM 426 O THR A 26 -4.331 -9.161 2.197 1.00 0.00 O ATOM 427 CB THR A 26 -3.977 -7.844 5.142 1.00 0.00 C ATOM 428 OG1 THR A 26 -3.821 -6.659 5.900 1.00 0.00 O ATOM 429 CG2 THR A 26 -2.565 -8.240 4.697 1.00 0.00 C ATOM 0 H THR A 26 -6.243 -6.786 5.281 1.00 0.00 H new ATOM 0 HA THR A 26 -4.308 -6.944 3.244 1.00 0.00 H new ATOM 0 HB THR A 26 -4.455 -8.630 5.727 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.102 -6.116 5.514 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.942 -8.414 5.575 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.614 -9.151 4.100 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.133 -7.437 4.099 1.00 0.00 H new ATOM 437 N ASN A 27 -6.229 -9.581 3.294 1.00 0.00 N ATOM 438 CA ASN A 27 -6.496 -10.750 2.461 1.00 0.00 C ATOM 439 C ASN A 27 -6.722 -10.303 1.016 1.00 0.00 C ATOM 440 O ASN A 27 -6.120 -10.850 0.093 1.00 0.00 O ATOM 441 CB ASN A 27 -7.694 -11.548 2.986 1.00 0.00 C ATOM 442 CG ASN A 27 -7.983 -12.734 2.071 1.00 0.00 C ATOM 443 OD1 ASN A 27 -8.912 -12.698 1.272 1.00 0.00 O ATOM 444 ND2 ASN A 27 -7.190 -13.797 2.174 1.00 0.00 N ATOM 0 H ASN A 27 -6.926 -9.389 4.014 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.631 -11.413 2.498 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.489 -11.901 3.997 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.571 -10.903 3.045 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.347 -14.610 1.579 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.424 -13.799 2.848 1.00 0.00 H new ATOM 451 N GLU A 28 -7.563 -9.280 0.838 1.00 0.00 N ATOM 452 CA GLU A 28 -7.878 -8.707 -0.457 1.00 0.00 C ATOM 453 C GLU A 28 -6.590 -8.224 -1.124 1.00 0.00 C ATOM 454 O GLU A 28 -6.326 -8.538 -2.283 1.00 0.00 O ATOM 455 CB GLU A 28 -8.846 -7.531 -0.257 1.00 0.00 C ATOM 456 CG GLU A 28 -10.247 -7.892 0.173 1.00 0.00 C ATOM 457 CD GLU A 28 -11.100 -6.641 0.401 1.00 0.00 C ATOM 458 OE1 GLU A 28 -10.691 -5.826 1.257 1.00 0.00 O ATOM 459 OE2 GLU A 28 -12.126 -6.496 -0.300 1.00 0.00 O ATOM 0 H GLU A 28 -8.049 -8.824 1.610 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.346 -9.455 -1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.421 -6.859 0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.907 -6.973 -1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.713 -8.518 -0.588 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.208 -8.480 1.090 1.00 0.00 H new ATOM 466 N VAL A 29 -5.789 -7.454 -0.381 1.00 0.00 N ATOM 467 CA VAL A 29 -4.557 -6.880 -0.894 1.00 0.00 C ATOM 468 C VAL A 29 -3.597 -7.982 -1.343 1.00 0.00 C ATOM 469 O VAL A 29 -3.166 -7.981 -2.495 1.00 0.00 O ATOM 470 CB VAL A 29 -3.965 -5.871 0.121 1.00 0.00 C ATOM 471 CG1 VAL A 29 -2.739 -6.339 0.911 1.00 0.00 C ATOM 472 CG2 VAL A 29 -3.563 -4.581 -0.588 1.00 0.00 C ATOM 0 H VAL A 29 -5.983 -7.216 0.592 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.761 -6.297 -1.792 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.775 -5.738 0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.418 -5.547 1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.996 -7.227 1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.930 -6.577 0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.149 -3.881 0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.814 -4.802 -1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.439 -4.137 -1.061 1.00 0.00 H new ATOM 482 N ILE A 30 -3.284 -8.940 -0.462 1.00 0.00 N ATOM 483 CA ILE A 30 -2.356 -10.006 -0.806 1.00 0.00 C ATOM 484 C ILE A 30 -2.889 -10.776 -2.007 1.00 0.00 C ATOM 485 O ILE A 30 -2.125 -11.047 -2.931 1.00 0.00 O ATOM 486 CB ILE A 30 -2.018 -10.887 0.414 1.00 0.00 C ATOM 487 CG1 ILE A 30 -1.226 -10.021 1.413 1.00 0.00 C ATOM 488 CG2 ILE A 30 -1.189 -12.113 -0.001 1.00 0.00 C ATOM 489 CD1 ILE A 30 -0.617 -10.787 2.589 1.00 0.00 C ATOM 0 H ILE A 30 -3.660 -8.993 0.485 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.399 -9.578 -1.103 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.937 -11.257 0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.425 -9.513 0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.887 -9.248 1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.965 -12.716 0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.755 -12.710 -0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.258 -11.783 -0.461 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.080 -10.093 3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.411 -11.273 3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.074 -11.541 2.213 1.00 0.00 H new ATOM 501 N LYS A 31 -4.183 -11.100 -2.022 1.00 0.00 N ATOM 502 CA LYS A 31 -4.790 -11.791 -3.147 1.00 0.00 C ATOM 503 C LYS A 31 -4.547 -11.016 -4.450 1.00 0.00 C ATOM 504 O LYS A 31 -3.976 -11.563 -5.396 1.00 0.00 O ATOM 505 CB LYS A 31 -6.284 -12.012 -2.865 1.00 0.00 C ATOM 506 CG LYS A 31 -7.005 -12.808 -3.961 1.00 0.00 C ATOM 507 CD LYS A 31 -6.377 -14.183 -4.234 1.00 0.00 C ATOM 508 CE LYS A 31 -6.314 -15.093 -2.998 1.00 0.00 C ATOM 509 NZ LYS A 31 -7.637 -15.277 -2.377 1.00 0.00 N ATOM 0 H LYS A 31 -4.829 -10.891 -1.261 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.326 -12.769 -3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.392 -12.537 -1.916 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.771 -11.043 -2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.048 -12.944 -3.674 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.002 -12.227 -4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.949 -14.685 -5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.368 -14.041 -4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.910 -16.064 -3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.628 -14.665 -2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.566 -15.976 -1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.968 -14.370 -1.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.312 -15.615 -3.092 1.00 0.00 H new ATOM 523 N GLU A 32 -4.965 -9.746 -4.502 1.00 0.00 N ATOM 524 CA GLU A 32 -4.831 -8.937 -5.705 1.00 0.00 C ATOM 525 C GLU A 32 -3.371 -8.834 -6.151 1.00 0.00 C ATOM 526 O GLU A 32 -3.061 -9.033 -7.328 1.00 0.00 O ATOM 527 CB GLU A 32 -5.436 -7.537 -5.504 1.00 0.00 C ATOM 528 CG GLU A 32 -6.262 -7.080 -6.715 1.00 0.00 C ATOM 529 CD GLU A 32 -5.553 -7.278 -8.054 1.00 0.00 C ATOM 530 OE1 GLU A 32 -4.520 -6.607 -8.257 1.00 0.00 O ATOM 531 OE2 GLU A 32 -6.050 -8.111 -8.843 1.00 0.00 O ATOM 0 H GLU A 32 -5.400 -9.260 -3.718 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.388 -9.438 -6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.068 -7.541 -4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.635 -6.820 -5.322 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.204 -7.628 -6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.509 -6.025 -6.598 1.00 0.00 H new ATOM 538 N LEU A 33 -2.460 -8.507 -5.228 1.00 0.00 N ATOM 539 CA LEU A 33 -1.073 -8.383 -5.557 1.00 0.00 C ATOM 540 C LEU A 33 -0.569 -9.716 -6.100 1.00 0.00 C ATOM 541 O LEU A 33 -0.006 -9.739 -7.185 1.00 0.00 O ATOM 542 CB LEU A 33 -0.320 -7.907 -4.315 1.00 0.00 C ATOM 543 CG LEU A 33 -0.129 -6.383 -4.173 1.00 0.00 C ATOM 544 CD1 LEU A 33 0.215 -5.668 -5.486 1.00 0.00 C ATOM 545 CD2 LEU A 33 -1.361 -5.752 -3.523 1.00 0.00 C ATOM 0 H LEU A 33 -2.680 -8.327 -4.248 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.906 -7.643 -6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.850 -8.269 -3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.664 -8.377 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 33 0.740 -6.248 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.333 -4.601 -5.299 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.145 -6.071 -5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.588 -5.824 -6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.212 -4.676 -3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.238 -5.944 -4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.513 -6.185 -2.534 1.00 0.00 H new ATOM 557 N SER A 34 -0.821 -10.827 -5.402 1.00 0.00 N ATOM 558 CA SER A 34 -0.396 -12.144 -5.860 1.00 0.00 C ATOM 559 C SER A 34 -0.877 -12.418 -7.291 1.00 0.00 C ATOM 560 O SER A 34 -0.126 -12.960 -8.101 1.00 0.00 O ATOM 561 CB SER A 34 -0.885 -13.238 -4.906 1.00 0.00 C ATOM 562 OG SER A 34 -0.381 -13.021 -3.603 1.00 0.00 O ATOM 0 H SER A 34 -1.321 -10.835 -4.513 1.00 0.00 H new ATOM 0 HA SER A 34 0.694 -12.157 -5.865 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.975 -13.249 -4.884 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.564 -14.215 -5.268 1.00 0.00 H new ATOM 0 HG SER A 34 -0.875 -12.289 -3.179 1.00 0.00 H new ATOM 568 N LYS A 35 -2.125 -12.049 -7.603 1.00 0.00 N ATOM 569 CA LYS A 35 -2.673 -12.230 -8.942 1.00 0.00 C ATOM 570 C LYS A 35 -1.908 -11.387 -9.966 1.00 0.00 C ATOM 571 O LYS A 35 -1.573 -11.884 -11.038 1.00 0.00 O ATOM 572 CB LYS A 35 -4.159 -11.846 -8.965 1.00 0.00 C ATOM 573 CG LYS A 35 -5.028 -12.889 -8.250 1.00 0.00 C ATOM 574 CD LYS A 35 -6.450 -12.368 -7.993 1.00 0.00 C ATOM 575 CE LYS A 35 -7.164 -11.863 -9.254 1.00 0.00 C ATOM 576 NZ LYS A 35 -7.224 -12.894 -10.305 1.00 0.00 N ATOM 0 H LYS A 35 -2.772 -11.622 -6.940 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.568 -13.282 -9.209 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.291 -10.875 -8.488 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.492 -11.742 -9.998 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.077 -13.796 -8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.564 -13.161 -7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.043 -13.166 -7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.404 -11.558 -7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.175 -11.549 -8.997 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.645 -10.984 -9.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.787 -12.541 -11.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.261 -13.115 -10.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.667 -13.754 -9.923 1.00 0.00 H new ATOM 590 N THR A 36 -1.663 -10.112 -9.659 1.00 0.00 N ATOM 591 CA THR A 36 -0.987 -9.200 -10.573 1.00 0.00 C ATOM 592 C THR A 36 0.527 -9.430 -10.572 1.00 0.00 C ATOM 593 O THR A 36 1.080 -9.894 -11.567 1.00 0.00 O ATOM 594 CB THR A 36 -1.383 -7.756 -10.242 1.00 0.00 C ATOM 595 OG1 THR A 36 -1.291 -7.519 -8.851 1.00 0.00 O ATOM 596 CG2 THR A 36 -2.826 -7.507 -10.692 1.00 0.00 C ATOM 0 H THR A 36 -1.928 -9.687 -8.771 1.00 0.00 H new ATOM 0 HA THR A 36 -1.310 -9.401 -11.595 1.00 0.00 H new ATOM 0 HB THR A 36 -0.702 -7.083 -10.764 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.031 -7.969 -8.393 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.108 -6.481 -10.457 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.905 -7.668 -11.767 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.493 -8.195 -10.172 1.00 0.00 H new ATOM 604 N SER A 37 1.203 -9.089 -9.473 1.00 0.00 N ATOM 605 CA SER A 37 2.627 -9.332 -9.300 1.00 0.00 C ATOM 606 C SER A 37 2.786 -10.454 -8.271 1.00 0.00 C ATOM 607 O SER A 37 2.733 -10.217 -7.064 1.00 0.00 O ATOM 608 CB SER A 37 3.288 -8.045 -8.802 1.00 0.00 C ATOM 609 OG SER A 37 3.226 -7.031 -9.786 1.00 0.00 O ATOM 0 H SER A 37 0.767 -8.632 -8.672 1.00 0.00 H new ATOM 0 HA SER A 37 3.099 -9.625 -10.237 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.792 -7.705 -7.893 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.328 -8.243 -8.543 1.00 0.00 H new ATOM 0 HG SER A 37 2.438 -6.470 -9.628 1.00 0.00 H new ATOM 615 N THR A 38 3.111 -11.658 -8.744 1.00 0.00 N ATOM 616 CA THR A 38 3.175 -12.858 -7.925 1.00 0.00 C ATOM 617 C THR A 38 4.435 -12.955 -7.059 1.00 0.00 C ATOM 618 O THR A 38 5.248 -13.860 -7.234 1.00 0.00 O ATOM 619 CB THR A 38 2.963 -14.072 -8.841 1.00 0.00 C ATOM 620 OG1 THR A 38 1.959 -13.748 -9.784 1.00 0.00 O ATOM 621 CG2 THR A 38 2.520 -15.316 -8.065 1.00 0.00 C ATOM 0 H THR A 38 3.340 -11.824 -9.724 1.00 0.00 H new ATOM 0 HA THR A 38 2.377 -12.822 -7.184 1.00 0.00 H new ATOM 0 HB THR A 38 3.913 -14.301 -9.323 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.152 -13.450 -9.314 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.383 -16.147 -8.757 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.282 -15.577 -7.330 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.579 -15.111 -7.555 1.00 0.00 H new ATOM 629 N TRP A 39 4.593 -12.022 -6.118 1.00 0.00 N ATOM 630 CA TRP A 39 5.652 -12.083 -5.122 1.00 0.00 C ATOM 631 C TRP A 39 5.158 -12.934 -3.944 1.00 0.00 C ATOM 632 O TRP A 39 4.062 -13.492 -3.991 1.00 0.00 O ATOM 633 CB TRP A 39 6.002 -10.676 -4.638 1.00 0.00 C ATOM 634 CG TRP A 39 6.250 -9.621 -5.669 1.00 0.00 C ATOM 635 CD1 TRP A 39 7.205 -9.657 -6.625 1.00 0.00 C ATOM 636 CD2 TRP A 39 5.587 -8.332 -5.813 1.00 0.00 C ATOM 637 NE1 TRP A 39 7.192 -8.478 -7.343 1.00 0.00 N ATOM 638 CE2 TRP A 39 6.222 -7.617 -6.870 1.00 0.00 C ATOM 639 CE3 TRP A 39 4.516 -7.691 -5.153 1.00 0.00 C ATOM 640 CZ2 TRP A 39 5.812 -6.334 -7.255 1.00 0.00 C ATOM 641 CZ3 TRP A 39 4.108 -6.395 -5.518 1.00 0.00 C ATOM 642 CH2 TRP A 39 4.738 -5.733 -6.583 1.00 0.00 C ATOM 0 H TRP A 39 3.988 -11.205 -6.029 1.00 0.00 H new ATOM 0 HA TRP A 39 6.547 -12.528 -5.558 1.00 0.00 H new ATOM 0 HB2 TRP A 39 5.191 -10.332 -3.996 1.00 0.00 H new ATOM 0 HB3 TRP A 39 6.893 -10.749 -4.014 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.877 -10.484 -6.801 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.817 -8.270 -8.121 1.00 0.00 H new ATOM 0 HE3 TRP A 39 4.001 -8.204 -4.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 6.316 -5.815 -8.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.309 -5.909 -4.978 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.394 -4.755 -6.887 1.00 0.00 H new ATOM 653 N SER A 40 5.944 -13.025 -2.866 1.00 0.00 N ATOM 654 CA SER A 40 5.508 -13.743 -1.676 1.00 0.00 C ATOM 655 C SER A 40 4.594 -12.825 -0.856 1.00 0.00 C ATOM 656 O SER A 40 4.779 -11.604 -0.888 1.00 0.00 O ATOM 657 CB SER A 40 6.730 -14.171 -0.845 1.00 0.00 C ATOM 658 OG SER A 40 6.364 -14.531 0.477 1.00 0.00 O ATOM 0 H SER A 40 6.875 -12.613 -2.798 1.00 0.00 H new ATOM 0 HA SER A 40 4.959 -14.641 -1.961 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.222 -15.015 -1.329 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.453 -13.356 -0.814 1.00 0.00 H new ATOM 0 HG SER A 40 7.164 -14.799 0.976 1.00 0.00 H new ATOM 664 N PRO A 41 3.638 -13.381 -0.089 1.00 0.00 N ATOM 665 CA PRO A 41 2.860 -12.616 0.875 1.00 0.00 C ATOM 666 C PRO A 41 3.796 -11.783 1.760 1.00 0.00 C ATOM 667 O PRO A 41 3.472 -10.651 2.113 1.00 0.00 O ATOM 668 CB PRO A 41 2.074 -13.654 1.684 1.00 0.00 C ATOM 669 CG PRO A 41 1.918 -14.814 0.704 1.00 0.00 C ATOM 670 CD PRO A 41 3.219 -14.775 -0.095 1.00 0.00 C ATOM 0 HA PRO A 41 2.181 -11.908 0.400 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.612 -13.956 2.583 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.108 -13.266 2.006 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.792 -15.765 1.222 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.047 -14.684 0.062 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.977 -15.414 0.358 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.065 -15.134 -1.113 1.00 0.00 H new ATOM 678 N LYS A 42 4.975 -12.332 2.087 1.00 0.00 N ATOM 679 CA LYS A 42 5.983 -11.631 2.867 1.00 0.00 C ATOM 680 C LYS A 42 6.456 -10.389 2.105 1.00 0.00 C ATOM 681 O LYS A 42 6.581 -9.315 2.689 1.00 0.00 O ATOM 682 CB LYS A 42 7.143 -12.585 3.184 1.00 0.00 C ATOM 683 CG LYS A 42 8.127 -11.963 4.187 1.00 0.00 C ATOM 684 CD LYS A 42 9.339 -12.866 4.458 1.00 0.00 C ATOM 685 CE LYS A 42 8.955 -14.170 5.169 1.00 0.00 C ATOM 686 NZ LYS A 42 10.150 -14.942 5.551 1.00 0.00 N ATOM 0 H LYS A 42 5.248 -13.276 1.814 1.00 0.00 H new ATOM 0 HA LYS A 42 5.558 -11.296 3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.749 -13.517 3.590 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.670 -12.836 2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.472 -11.002 3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.608 -11.765 5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.830 -13.102 3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.063 -12.324 5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.367 -13.943 6.058 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.324 -14.772 4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.859 -15.818 6.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.698 -15.178 4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.738 -14.375 6.194 1.00 0.00 H new ATOM 700 N THR A 43 6.730 -10.521 0.804 1.00 0.00 N ATOM 701 CA THR A 43 7.153 -9.403 -0.024 1.00 0.00 C ATOM 702 C THR A 43 6.067 -8.331 -0.008 1.00 0.00 C ATOM 703 O THR A 43 6.353 -7.156 0.202 1.00 0.00 O ATOM 704 CB THR A 43 7.408 -9.874 -1.463 1.00 0.00 C ATOM 705 OG1 THR A 43 8.064 -11.126 -1.475 1.00 0.00 O ATOM 706 CG2 THR A 43 8.248 -8.850 -2.235 1.00 0.00 C ATOM 0 H THR A 43 6.663 -11.406 0.302 1.00 0.00 H new ATOM 0 HA THR A 43 8.080 -8.989 0.372 1.00 0.00 H new ATOM 0 HB THR A 43 6.438 -9.976 -1.950 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.357 -11.333 -2.387 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.414 -9.208 -3.251 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.720 -7.897 -2.268 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.208 -8.716 -1.736 1.00 0.00 H new ATOM 714 N ILE A 44 4.815 -8.743 -0.221 1.00 0.00 N ATOM 715 CA ILE A 44 3.685 -7.825 -0.234 1.00 0.00 C ATOM 716 C ILE A 44 3.624 -7.086 1.110 1.00 0.00 C ATOM 717 O ILE A 44 3.569 -5.856 1.141 1.00 0.00 O ATOM 718 CB ILE A 44 2.400 -8.581 -0.621 1.00 0.00 C ATOM 719 CG1 ILE A 44 2.530 -9.098 -2.068 1.00 0.00 C ATOM 720 CG2 ILE A 44 1.193 -7.639 -0.517 1.00 0.00 C ATOM 721 CD1 ILE A 44 1.582 -10.254 -2.398 1.00 0.00 C ATOM 0 H ILE A 44 4.562 -9.717 -0.388 1.00 0.00 H new ATOM 0 HA ILE A 44 3.803 -7.055 -0.996 1.00 0.00 H new ATOM 0 HB ILE A 44 2.256 -9.423 0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.338 -8.275 -2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.557 -9.423 -2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.286 -8.178 -0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.103 -7.275 0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.332 -6.794 -1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.732 -10.563 -3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.788 -11.094 -1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.551 -9.929 -2.262 1.00 0.00 H new ATOM 733 N GLN A 45 3.685 -7.827 2.223 1.00 0.00 N ATOM 734 CA GLN A 45 3.735 -7.238 3.555 1.00 0.00 C ATOM 735 C GLN A 45 4.920 -6.277 3.677 1.00 0.00 C ATOM 736 O GLN A 45 4.775 -5.216 4.275 1.00 0.00 O ATOM 737 CB GLN A 45 3.750 -8.326 4.632 1.00 0.00 C ATOM 738 CG GLN A 45 2.355 -8.936 4.831 1.00 0.00 C ATOM 739 CD GLN A 45 1.390 -7.984 5.543 1.00 0.00 C ATOM 740 OE1 GLN A 45 1.386 -7.897 6.766 1.00 0.00 O ATOM 741 NE2 GLN A 45 0.564 -7.262 4.791 1.00 0.00 N ATOM 0 H GLN A 45 3.701 -8.847 2.220 1.00 0.00 H new ATOM 0 HA GLN A 45 2.831 -6.651 3.713 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.454 -9.109 4.351 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.102 -7.904 5.573 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.940 -9.208 3.861 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.444 -9.856 5.409 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.588 -7.353 3.775 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.093 -6.617 5.230 1.00 0.00 H new ATOM 750 N THR A 46 6.078 -6.616 3.106 1.00 0.00 N ATOM 751 CA THR A 46 7.233 -5.728 3.128 1.00 0.00 C ATOM 752 C THR A 46 6.896 -4.418 2.405 1.00 0.00 C ATOM 753 O THR A 46 7.116 -3.346 2.959 1.00 0.00 O ATOM 754 CB THR A 46 8.480 -6.417 2.550 1.00 0.00 C ATOM 755 OG1 THR A 46 8.709 -7.644 3.216 1.00 0.00 O ATOM 756 CG2 THR A 46 9.731 -5.552 2.731 1.00 0.00 C ATOM 0 H THR A 46 6.237 -7.501 2.623 1.00 0.00 H new ATOM 0 HA THR A 46 7.475 -5.484 4.163 1.00 0.00 H new ATOM 0 HB THR A 46 8.296 -6.577 1.488 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.003 -8.281 2.980 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.594 -6.069 2.312 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.593 -4.600 2.218 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.897 -5.371 3.793 1.00 0.00 H new ATOM 764 N MET A 47 6.351 -4.481 1.184 1.00 0.00 N ATOM 765 CA MET A 47 5.982 -3.281 0.434 1.00 0.00 C ATOM 766 C MET A 47 5.032 -2.406 1.257 1.00 0.00 C ATOM 767 O MET A 47 5.259 -1.206 1.424 1.00 0.00 O ATOM 768 CB MET A 47 5.372 -3.650 -0.917 1.00 0.00 C ATOM 769 CG MET A 47 6.397 -4.342 -1.817 1.00 0.00 C ATOM 770 SD MET A 47 7.931 -3.447 -2.171 1.00 0.00 S ATOM 771 CE MET A 47 8.989 -4.833 -2.644 1.00 0.00 C ATOM 0 H MET A 47 6.156 -5.355 0.696 1.00 0.00 H new ATOM 0 HA MET A 47 6.885 -2.703 0.239 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.516 -4.307 -0.765 1.00 0.00 H new ATOM 0 HB3 MET A 47 5.001 -2.751 -1.409 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.661 -5.294 -1.357 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.913 -4.570 -2.767 1.00 0.00 H new ATOM 0 HE1 MET A 47 9.982 -4.463 -2.897 1.00 0.00 H new ATOM 0 HE2 MET A 47 9.064 -5.534 -1.813 1.00 0.00 H new ATOM 0 HE3 MET A 47 8.560 -5.340 -3.508 1.00 0.00 H new ATOM 781 N LEU A 48 3.973 -3.025 1.784 1.00 0.00 N ATOM 782 CA LEU A 48 3.003 -2.353 2.641 1.00 0.00 C ATOM 783 C LEU A 48 3.730 -1.682 3.814 1.00 0.00 C ATOM 784 O LEU A 48 3.538 -0.497 4.078 1.00 0.00 O ATOM 785 CB LEU A 48 1.970 -3.379 3.126 1.00 0.00 C ATOM 786 CG LEU A 48 1.030 -3.820 1.988 1.00 0.00 C ATOM 787 CD1 LEU A 48 0.467 -5.215 2.248 1.00 0.00 C ATOM 788 CD2 LEU A 48 -0.163 -2.874 1.840 1.00 0.00 C ATOM 0 H LEU A 48 3.766 -4.011 1.625 1.00 0.00 H new ATOM 0 HA LEU A 48 2.479 -1.574 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.485 -4.250 3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.383 -2.949 3.937 1.00 0.00 H new ATOM 0 HG LEU A 48 1.632 -3.810 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.193 -5.500 1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.286 -5.930 2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.095 -5.212 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.802 -3.219 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.733 -2.859 2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.195 -1.869 1.618 1.00 0.00 H new ATOM 800 N LEU A 49 4.582 -2.440 4.506 1.00 0.00 N ATOM 801 CA LEU A 49 5.384 -1.953 5.620 1.00 0.00 C ATOM 802 C LEU A 49 6.200 -0.729 5.196 1.00 0.00 C ATOM 803 O LEU A 49 6.188 0.270 5.907 1.00 0.00 O ATOM 804 CB LEU A 49 6.238 -3.098 6.194 1.00 0.00 C ATOM 805 CG LEU A 49 7.044 -2.803 7.473 1.00 0.00 C ATOM 806 CD1 LEU A 49 8.343 -2.031 7.211 1.00 0.00 C ATOM 807 CD2 LEU A 49 6.211 -2.106 8.555 1.00 0.00 C ATOM 0 H LEU A 49 4.734 -3.428 4.301 1.00 0.00 H new ATOM 0 HA LEU A 49 4.735 -1.616 6.428 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.579 -3.942 6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.937 -3.418 5.421 1.00 0.00 H new ATOM 0 HG LEU A 49 7.326 -3.786 7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.860 -1.858 8.155 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.984 -2.612 6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.110 -1.074 6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.832 -1.924 9.432 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.838 -1.156 8.171 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.370 -2.741 8.832 1.00 0.00 H new ATOM 819 N ARG A 50 6.892 -0.765 4.050 1.00 0.00 N ATOM 820 CA ARG A 50 7.649 0.385 3.571 1.00 0.00 C ATOM 821 C ARG A 50 6.729 1.597 3.425 1.00 0.00 C ATOM 822 O ARG A 50 7.029 2.673 3.938 1.00 0.00 O ATOM 823 CB ARG A 50 8.369 0.065 2.254 1.00 0.00 C ATOM 824 CG ARG A 50 9.430 -1.020 2.460 1.00 0.00 C ATOM 825 CD ARG A 50 10.627 -0.894 1.510 1.00 0.00 C ATOM 826 NE ARG A 50 10.255 -1.155 0.110 1.00 0.00 N ATOM 827 CZ ARG A 50 10.267 -0.273 -0.902 1.00 0.00 C ATOM 828 NH1 ARG A 50 10.452 1.032 -0.682 1.00 0.00 N ATOM 829 NH2 ARG A 50 10.087 -0.713 -2.152 1.00 0.00 N ATOM 0 H ARG A 50 6.940 -1.582 3.441 1.00 0.00 H new ATOM 0 HA ARG A 50 8.416 0.626 4.307 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.644 -0.266 1.510 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.838 0.968 1.863 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.787 -0.977 3.489 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.969 -1.998 2.323 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.049 0.108 1.591 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.405 -1.594 1.814 1.00 0.00 H new ATOM 0 HE ARG A 50 9.957 -2.104 -0.115 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.588 1.375 0.269 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.458 1.685 -1.465 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.943 -1.708 -2.327 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.094 -0.054 -2.931 1.00 0.00 H new ATOM 843 N LEU A 51 5.598 1.418 2.743 1.00 0.00 N ATOM 844 CA LEU A 51 4.618 2.490 2.575 1.00 0.00 C ATOM 845 C LEU A 51 4.146 3.041 3.929 1.00 0.00 C ATOM 846 O LEU A 51 3.945 4.249 4.072 1.00 0.00 O ATOM 847 CB LEU A 51 3.437 2.015 1.721 1.00 0.00 C ATOM 848 CG LEU A 51 3.799 1.841 0.238 1.00 0.00 C ATOM 849 CD1 LEU A 51 2.652 1.142 -0.497 1.00 0.00 C ATOM 850 CD2 LEU A 51 4.049 3.195 -0.438 1.00 0.00 C ATOM 0 H LEU A 51 5.338 0.538 2.297 1.00 0.00 H new ATOM 0 HA LEU A 51 5.106 3.310 2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.071 1.066 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.621 2.733 1.808 1.00 0.00 H new ATOM 0 HG LEU A 51 4.709 1.243 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.914 1.021 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.478 0.163 -0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.747 1.744 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.303 3.037 -1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.149 3.807 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.873 3.705 0.062 1.00 0.00 H new ATOM 862 N ILE A 52 3.958 2.170 4.923 1.00 0.00 N ATOM 863 CA ILE A 52 3.580 2.591 6.267 1.00 0.00 C ATOM 864 C ILE A 52 4.728 3.391 6.894 1.00 0.00 C ATOM 865 O ILE A 52 4.502 4.478 7.419 1.00 0.00 O ATOM 866 CB ILE A 52 3.134 1.381 7.112 1.00 0.00 C ATOM 867 CG1 ILE A 52 1.789 0.853 6.582 1.00 0.00 C ATOM 868 CG2 ILE A 52 2.990 1.761 8.595 1.00 0.00 C ATOM 869 CD1 ILE A 52 1.503 -0.585 7.023 1.00 0.00 C ATOM 0 H ILE A 52 4.063 1.161 4.817 1.00 0.00 H new ATOM 0 HA ILE A 52 2.716 3.254 6.225 1.00 0.00 H new ATOM 0 HB ILE A 52 3.897 0.606 7.031 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.986 1.502 6.931 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.788 0.902 5.493 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.674 0.887 9.165 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.948 2.115 8.975 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.245 2.550 8.698 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.542 -0.905 6.620 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.289 -1.243 6.652 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.474 -0.633 8.112 1.00 0.00 H new ATOM 881 N LYS A 53 5.964 2.889 6.818 1.00 0.00 N ATOM 882 CA LYS A 53 7.147 3.555 7.357 1.00 0.00 C ATOM 883 C LYS A 53 7.303 4.952 6.748 1.00 0.00 C ATOM 884 O LYS A 53 7.649 5.904 7.443 1.00 0.00 O ATOM 885 CB LYS A 53 8.386 2.680 7.110 1.00 0.00 C ATOM 886 CG LYS A 53 9.607 3.192 7.888 1.00 0.00 C ATOM 887 CD LYS A 53 10.893 2.433 7.531 1.00 0.00 C ATOM 888 CE LYS A 53 10.809 0.941 7.874 1.00 0.00 C ATOM 889 NZ LYS A 53 12.108 0.272 7.683 1.00 0.00 N ATOM 0 H LYS A 53 6.171 1.995 6.373 1.00 0.00 H new ATOM 0 HA LYS A 53 7.033 3.687 8.433 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.171 1.653 7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.614 2.664 6.044 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.746 4.253 7.682 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.418 3.097 8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.094 2.547 6.466 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.733 2.878 8.064 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.485 0.821 8.908 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.056 0.464 7.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.018 -0.736 7.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.404 0.366 6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.820 0.713 8.300 1.00 0.00 H new ATOM 903 N LYS A 54 7.036 5.079 5.446 1.00 0.00 N ATOM 904 CA LYS A 54 7.087 6.335 4.730 1.00 0.00 C ATOM 905 C LYS A 54 5.906 7.241 5.114 1.00 0.00 C ATOM 906 O LYS A 54 5.908 8.427 4.788 1.00 0.00 O ATOM 907 CB LYS A 54 7.054 5.998 3.236 1.00 0.00 C ATOM 908 CG LYS A 54 8.365 5.357 2.754 1.00 0.00 C ATOM 909 CD LYS A 54 8.151 4.693 1.387 1.00 0.00 C ATOM 910 CE LYS A 54 9.434 4.048 0.850 1.00 0.00 C ATOM 911 NZ LYS A 54 10.387 5.047 0.341 1.00 0.00 N ATOM 0 H LYS A 54 6.774 4.289 4.857 1.00 0.00 H new ATOM 0 HA LYS A 54 7.994 6.883 4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.225 5.318 3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.865 6.907 2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.145 6.115 2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.706 4.617 3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.373 3.935 1.471 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.795 5.438 0.675 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.907 3.468 1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.181 3.350 0.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.278 4.577 0.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.986 5.514 -0.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.572 5.758 1.078 1.00 0.00 H new ATOM 925 N GLY A 55 4.894 6.713 5.806 1.00 0.00 N ATOM 926 CA GLY A 55 3.706 7.458 6.180 1.00 0.00 C ATOM 927 C GLY A 55 2.851 7.755 4.951 1.00 0.00 C ATOM 928 O GLY A 55 2.135 8.756 4.928 1.00 0.00 O ATOM 0 H GLY A 55 4.884 5.744 6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.125 6.888 6.905 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.993 8.391 6.665 1.00 0.00 H new ATOM 932 N ALA A 56 2.931 6.894 3.931 1.00 0.00 N ATOM 933 CA ALA A 56 2.156 6.999 2.704 1.00 0.00 C ATOM 934 C ALA A 56 0.807 6.310 2.920 1.00 0.00 C ATOM 935 O ALA A 56 -0.224 6.786 2.456 1.00 0.00 O ATOM 936 CB ALA A 56 2.933 6.337 1.561 1.00 0.00 C ATOM 0 H ALA A 56 3.554 6.087 3.943 1.00 0.00 H new ATOM 0 HA ALA A 56 1.983 8.043 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.357 6.412 0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.891 6.840 1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.104 5.287 1.797 1.00 0.00 H new ATOM 942 N LEU A 57 0.808 5.178 3.626 1.00 0.00 N ATOM 943 CA LEU A 57 -0.389 4.412 3.946 1.00 0.00 C ATOM 944 C LEU A 57 -0.542 4.360 5.464 1.00 0.00 C ATOM 945 O LEU A 57 0.430 4.112 6.172 1.00 0.00 O ATOM 946 CB LEU A 57 -0.248 2.985 3.398 1.00 0.00 C ATOM 947 CG LEU A 57 -0.768 2.774 1.964 1.00 0.00 C ATOM 948 CD1 LEU A 57 -0.328 3.824 0.935 1.00 0.00 C ATOM 949 CD2 LEU A 57 -0.311 1.385 1.517 1.00 0.00 C ATOM 0 H LEU A 57 1.662 4.762 3.998 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.264 4.883 3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.805 2.704 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.780 2.304 4.063 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.853 2.876 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.751 3.578 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.680 4.808 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.760 3.833 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.661 1.196 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.778 1.335 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.724 0.632 2.189 1.00 0.00 H new ATOM 961 N ASN A 58 -1.757 4.597 5.957 1.00 0.00 N ATOM 962 CA ASN A 58 -2.123 4.440 7.358 1.00 0.00 C ATOM 963 C ASN A 58 -2.904 3.131 7.425 1.00 0.00 C ATOM 964 O ASN A 58 -3.599 2.821 6.461 1.00 0.00 O ATOM 965 CB ASN A 58 -3.002 5.621 7.783 1.00 0.00 C ATOM 966 CG ASN A 58 -3.675 5.352 9.126 1.00 0.00 C ATOM 967 OD1 ASN A 58 -3.084 5.584 10.174 1.00 0.00 O ATOM 968 ND2 ASN A 58 -4.903 4.841 9.111 1.00 0.00 N ATOM 0 H ASN A 58 -2.533 4.912 5.374 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.259 4.419 8.022 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.395 6.524 7.852 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.761 5.805 7.023 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.379 4.631 9.988 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.369 4.659 8.222 1.00 0.00 H new ATOM 975 N HIS A 59 -2.812 2.351 8.503 1.00 0.00 N ATOM 976 CA HIS A 59 -3.546 1.096 8.620 1.00 0.00 C ATOM 977 C HIS A 59 -4.200 0.953 9.984 1.00 0.00 C ATOM 978 O HIS A 59 -3.815 1.614 10.946 1.00 0.00 O ATOM 979 CB HIS A 59 -2.659 -0.110 8.297 1.00 0.00 C ATOM 980 CG HIS A 59 -1.536 -0.357 9.273 1.00 0.00 C ATOM 981 ND1 HIS A 59 -0.784 0.685 9.812 1.00 0.00 N ATOM 982 CD2 HIS A 59 -1.068 -1.545 9.772 1.00 0.00 C ATOM 983 CE1 HIS A 59 0.095 0.091 10.622 1.00 0.00 C ATOM 984 NE2 HIS A 59 -0.028 -1.245 10.629 1.00 0.00 N ATOM 0 H HIS A 59 -2.231 2.571 9.312 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.344 1.122 7.878 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.285 -1.001 8.254 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.233 0.028 7.303 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -1.443 -2.531 9.539 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.826 0.628 11.208 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.535 -1.908 11.162 1.00 0.00 H new ATOM 992 N HIS A 60 -5.216 0.092 10.039 1.00 0.00 N ATOM 993 CA HIS A 60 -5.988 -0.187 11.244 1.00 0.00 C ATOM 994 C HIS A 60 -6.423 -1.650 11.250 1.00 0.00 C ATOM 995 O HIS A 60 -6.639 -2.233 10.190 1.00 0.00 O ATOM 996 CB HIS A 60 -7.176 0.771 11.372 1.00 0.00 C ATOM 997 CG HIS A 60 -8.198 0.645 10.274 1.00 0.00 C ATOM 998 ND1 HIS A 60 -9.352 -0.120 10.438 1.00 0.00 N ATOM 999 CD2 HIS A 60 -8.226 1.235 9.039 1.00 0.00 C ATOM 1000 CE1 HIS A 60 -10.044 0.061 9.310 1.00 0.00 C ATOM 1001 NE2 HIS A 60 -9.413 0.866 8.440 1.00 0.00 N ATOM 0 H HIS A 60 -5.530 -0.441 9.228 1.00 0.00 H new ATOM 0 HA HIS A 60 -5.359 -0.019 12.119 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.666 0.596 12.330 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -6.802 1.795 11.387 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.463 1.870 8.614 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.006 -0.391 9.119 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.746 1.149 7.518 1.00 0.00 H new ATOM 1009 N LYS A 61 -6.486 -2.263 12.436 1.00 0.00 N ATOM 1010 CA LYS A 61 -6.836 -3.665 12.613 1.00 0.00 C ATOM 1011 C LYS A 61 -8.360 -3.794 12.632 1.00 0.00 C ATOM 1012 O LYS A 61 -8.985 -3.663 13.685 1.00 0.00 O ATOM 1013 CB LYS A 61 -6.189 -4.207 13.898 1.00 0.00 C ATOM 1014 CG LYS A 61 -4.703 -4.574 13.735 1.00 0.00 C ATOM 1015 CD LYS A 61 -3.794 -3.383 13.392 1.00 0.00 C ATOM 1016 CE LYS A 61 -2.310 -3.773 13.403 1.00 0.00 C ATOM 1017 NZ LYS A 61 -1.984 -4.758 12.354 1.00 0.00 N ATOM 0 H LYS A 61 -6.290 -1.783 13.315 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.455 -4.264 11.786 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.285 -3.460 14.686 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.738 -5.089 14.227 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.350 -5.032 14.659 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.610 -5.325 12.951 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.060 -2.995 12.409 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.963 -2.579 14.108 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.701 -2.880 13.263 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.052 -4.185 14.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.674 -5.647 12.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.827 -4.937 11.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.221 -4.386 11.753 1.00 0.00 H new ATOM 1031 N GLU A 62 -8.968 -4.095 11.480 1.00 0.00 N ATOM 1032 CA GLU A 62 -10.414 -4.181 11.391 1.00 0.00 C ATOM 1033 C GLU A 62 -10.840 -5.592 11.798 1.00 0.00 C ATOM 1034 O GLU A 62 -11.235 -6.412 10.969 1.00 0.00 O ATOM 1035 CB GLU A 62 -10.842 -3.825 9.959 1.00 0.00 C ATOM 1036 CG GLU A 62 -12.359 -3.627 9.842 1.00 0.00 C ATOM 1037 CD GLU A 62 -12.759 -3.285 8.411 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -12.951 -4.240 7.629 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -12.846 -2.072 8.120 1.00 0.00 O ATOM 0 H GLU A 62 -8.477 -4.281 10.605 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.903 -3.477 12.064 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.333 -2.914 9.645 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.527 -4.617 9.280 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.873 -4.534 10.160 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.678 -2.829 10.513 1.00 0.00 H new ATOM 1046 N GLY A 63 -10.821 -5.826 13.113 1.00 0.00 N ATOM 1047 CA GLY A 63 -11.237 -7.058 13.770 1.00 0.00 C ATOM 1048 C GLY A 63 -10.531 -8.319 13.264 1.00 0.00 C ATOM 1049 O GLY A 63 -9.671 -8.869 13.946 1.00 0.00 O ATOM 0 H GLY A 63 -10.498 -5.123 13.778 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.058 -6.962 14.841 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.312 -7.181 13.636 1.00 0.00 H new ATOM 1053 N ARG A 64 -10.927 -8.797 12.083 1.00 0.00 N ATOM 1054 CA ARG A 64 -10.418 -10.018 11.480 1.00 0.00 C ATOM 1055 C ARG A 64 -8.997 -9.805 10.947 1.00 0.00 C ATOM 1056 O ARG A 64 -8.066 -10.511 11.335 1.00 0.00 O ATOM 1057 CB ARG A 64 -11.397 -10.512 10.401 1.00 0.00 C ATOM 1058 CG ARG A 64 -11.767 -11.993 10.577 1.00 0.00 C ATOM 1059 CD ARG A 64 -10.700 -12.970 10.063 1.00 0.00 C ATOM 1060 NE ARG A 64 -9.469 -12.876 10.852 1.00 0.00 N ATOM 1061 CZ ARG A 64 -9.275 -13.369 12.081 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -10.105 -14.278 12.604 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -8.243 -12.902 12.787 1.00 0.00 N ATOM 0 H ARG A 64 -11.629 -8.329 11.509 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.347 -10.801 12.235 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -12.304 -9.908 10.433 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.952 -10.366 9.417 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -11.945 -12.189 11.634 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.704 -12.187 10.055 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.085 -13.989 10.106 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.481 -12.756 9.017 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.683 -12.387 10.423 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.905 -14.609 12.064 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.938 -14.640 13.543 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.631 -12.191 12.386 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.066 -13.256 13.727 1.00 0.00 H new ATOM 1077 N VAL A 65 -8.827 -8.839 10.039 1.00 0.00 N ATOM 1078 CA VAL A 65 -7.550 -8.533 9.412 1.00 0.00 C ATOM 1079 C VAL A 65 -7.395 -7.017 9.343 1.00 0.00 C ATOM 1080 O VAL A 65 -8.369 -6.281 9.503 1.00 0.00 O ATOM 1081 CB VAL A 65 -7.464 -9.180 8.016 1.00 0.00 C ATOM 1082 CG1 VAL A 65 -7.165 -10.681 8.116 1.00 0.00 C ATOM 1083 CG2 VAL A 65 -8.752 -8.979 7.206 1.00 0.00 C ATOM 0 H VAL A 65 -9.589 -8.242 9.718 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.732 -8.946 10.003 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.646 -8.680 7.498 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.111 -11.109 7.115 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.213 -10.829 8.626 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.958 -11.173 8.678 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.645 -9.452 6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.590 -9.430 7.738 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.937 -7.913 7.075 1.00 0.00 H new ATOM 1093 N PHE A 66 -6.168 -6.539 9.124 1.00 0.00 N ATOM 1094 CA PHE A 66 -5.917 -5.112 9.039 1.00 0.00 C ATOM 1095 C PHE A 66 -6.237 -4.587 7.644 1.00 0.00 C ATOM 1096 O PHE A 66 -6.120 -5.311 6.650 1.00 0.00 O ATOM 1097 CB PHE A 66 -4.519 -4.720 9.550 1.00 0.00 C ATOM 1098 CG PHE A 66 -3.380 -5.697 9.325 1.00 0.00 C ATOM 1099 CD1 PHE A 66 -3.286 -6.859 10.118 1.00 0.00 C ATOM 1100 CD2 PHE A 66 -2.297 -5.331 8.506 1.00 0.00 C ATOM 1101 CE1 PHE A 66 -2.162 -7.696 10.019 1.00 0.00 C ATOM 1102 CE2 PHE A 66 -1.155 -6.150 8.437 1.00 0.00 C ATOM 1103 CZ PHE A 66 -1.097 -7.344 9.173 1.00 0.00 C ATOM 0 H PHE A 66 -5.340 -7.123 9.004 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.602 -4.611 9.723 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.245 -3.774 9.082 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.594 -4.536 10.622 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.082 -7.107 10.805 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.342 -4.419 7.929 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.117 -8.610 10.593 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.321 -5.859 7.816 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.236 -7.990 9.089 1.00 0.00 H new ATOM 1113 N VAL A 67 -6.683 -3.329 7.616 1.00 0.00 N ATOM 1114 CA VAL A 67 -7.100 -2.569 6.456 1.00 0.00 C ATOM 1115 C VAL A 67 -6.143 -1.402 6.271 1.00 0.00 C ATOM 1116 O VAL A 67 -5.754 -0.773 7.257 1.00 0.00 O ATOM 1117 CB VAL A 67 -8.549 -2.090 6.658 1.00 0.00 C ATOM 1118 CG1 VAL A 67 -8.987 -1.023 5.644 1.00 0.00 C ATOM 1119 CG2 VAL A 67 -9.518 -3.272 6.557 1.00 0.00 C ATOM 0 H VAL A 67 -6.765 -2.782 8.473 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.073 -3.184 5.556 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.576 -1.641 7.651 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.018 -0.731 5.845 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.340 -0.151 5.731 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.915 -1.429 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.539 -2.919 6.702 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.429 -3.732 5.573 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.276 -4.007 7.324 1.00 0.00 H new ATOM 1129 N TYR A 68 -5.772 -1.132 5.014 1.00 0.00 N ATOM 1130 CA TYR A 68 -4.872 -0.046 4.650 1.00 0.00 C ATOM 1131 C TYR A 68 -5.678 1.098 4.043 1.00 0.00 C ATOM 1132 O TYR A 68 -6.360 0.914 3.035 1.00 0.00 O ATOM 1133 CB TYR A 68 -3.814 -0.528 3.652 1.00 0.00 C ATOM 1134 CG TYR A 68 -3.104 -1.791 4.083 1.00 0.00 C ATOM 1135 CD1 TYR A 68 -1.995 -1.740 4.950 1.00 0.00 C ATOM 1136 CD2 TYR A 68 -3.623 -3.032 3.684 1.00 0.00 C ATOM 1137 CE1 TYR A 68 -1.422 -2.932 5.432 1.00 0.00 C ATOM 1138 CE2 TYR A 68 -3.045 -4.213 4.161 1.00 0.00 C ATOM 1139 CZ TYR A 68 -1.956 -4.170 5.041 1.00 0.00 C ATOM 1140 OH TYR A 68 -1.442 -5.334 5.529 1.00 0.00 O ATOM 0 H TYR A 68 -6.097 -1.674 4.213 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.360 0.302 5.547 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.290 -0.700 2.687 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.077 0.262 3.508 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.584 -0.786 5.245 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.466 -3.075 3.011 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.574 -2.894 6.100 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.442 -5.167 3.848 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.605 -5.384 6.494 1.00 0.00 H new ATOM 1150 N THR A 69 -5.587 2.271 4.664 1.00 0.00 N ATOM 1151 CA THR A 69 -6.199 3.517 4.247 1.00 0.00 C ATOM 1152 C THR A 69 -5.091 4.412 3.668 1.00 0.00 C ATOM 1153 O THR A 69 -4.152 4.743 4.398 1.00 0.00 O ATOM 1154 CB THR A 69 -6.831 4.196 5.461 1.00 0.00 C ATOM 1155 OG1 THR A 69 -5.900 4.264 6.526 1.00 0.00 O ATOM 1156 CG2 THR A 69 -8.068 3.439 5.951 1.00 0.00 C ATOM 0 H THR A 69 -5.049 2.377 5.524 1.00 0.00 H new ATOM 0 HA THR A 69 -6.972 3.340 3.499 1.00 0.00 H new ATOM 0 HB THR A 69 -7.127 5.198 5.149 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.991 4.317 6.163 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.490 3.952 6.815 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.810 3.401 5.154 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.786 2.425 6.233 1.00 0.00 H new ATOM 1164 N PRO A 70 -5.152 4.800 2.388 1.00 0.00 N ATOM 1165 CA PRO A 70 -4.144 5.648 1.770 1.00 0.00 C ATOM 1166 C PRO A 70 -4.065 7.020 2.449 1.00 0.00 C ATOM 1167 O PRO A 70 -5.081 7.698 2.582 1.00 0.00 O ATOM 1168 CB PRO A 70 -4.576 5.801 0.305 1.00 0.00 C ATOM 1169 CG PRO A 70 -5.464 4.585 0.060 1.00 0.00 C ATOM 1170 CD PRO A 70 -6.139 4.381 1.413 1.00 0.00 C ATOM 0 HA PRO A 70 -3.152 5.205 1.863 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.119 6.732 0.143 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.717 5.812 -0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.191 4.768 -0.731 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.882 3.713 -0.237 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.050 4.974 1.493 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.422 3.339 1.560 1.00 0.00 H new ATOM 1178 N ASN A 71 -2.868 7.437 2.872 1.00 0.00 N ATOM 1179 CA ASN A 71 -2.632 8.774 3.419 1.00 0.00 C ATOM 1180 C ASN A 71 -2.501 9.770 2.262 1.00 0.00 C ATOM 1181 O ASN A 71 -2.786 10.958 2.396 1.00 0.00 O ATOM 1182 CB ASN A 71 -1.346 8.768 4.249 1.00 0.00 C ATOM 1183 CG ASN A 71 -1.320 9.800 5.372 1.00 0.00 C ATOM 1184 OD1 ASN A 71 -2.316 10.438 5.692 1.00 0.00 O ATOM 1185 ND2 ASN A 71 -0.159 9.983 5.990 1.00 0.00 N ATOM 0 H ASN A 71 -2.032 6.853 2.844 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.465 9.065 4.058 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.210 7.776 4.680 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.499 8.947 3.587 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.085 10.664 6.745 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.659 9.442 5.709 1.00 0.00 H new ATOM 1192 N ILE A 72 -2.056 9.242 1.119 1.00 0.00 N ATOM 1193 CA ILE A 72 -1.846 9.907 -0.157 1.00 0.00 C ATOM 1194 C ILE A 72 -2.872 9.411 -1.181 1.00 0.00 C ATOM 1195 O ILE A 72 -3.218 8.231 -1.239 1.00 0.00 O ATOM 1196 CB ILE A 72 -0.424 9.639 -0.699 1.00 0.00 C ATOM 1197 CG1 ILE A 72 0.243 8.325 -0.257 1.00 0.00 C ATOM 1198 CG2 ILE A 72 0.529 10.751 -0.261 1.00 0.00 C ATOM 1199 CD1 ILE A 72 -0.529 7.030 -0.524 1.00 0.00 C ATOM 0 H ILE A 72 -1.814 8.253 1.065 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.965 10.979 0.002 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.583 9.584 -1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.210 8.252 -0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.439 8.388 0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.527 10.549 -0.650 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.175 11.707 -0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.565 10.791 0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.051 6.180 -0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.486 7.063 -0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.703 6.924 -1.595 1.00 0.00 H new ATOM 1211 N ASP A 73 -3.352 10.344 -2.003 1.00 0.00 N ATOM 1212 CA ASP A 73 -4.303 10.105 -3.075 1.00 0.00 C ATOM 1213 C ASP A 73 -4.137 11.205 -4.120 1.00 0.00 C ATOM 1214 O ASP A 73 -3.895 10.926 -5.289 1.00 0.00 O ATOM 1215 CB ASP A 73 -5.721 10.070 -2.504 1.00 0.00 C ATOM 1216 CG ASP A 73 -6.724 9.675 -3.581 1.00 0.00 C ATOM 1217 OD1 ASP A 73 -6.901 8.452 -3.769 1.00 0.00 O ATOM 1218 OD2 ASP A 73 -7.285 10.605 -4.198 1.00 0.00 O ATOM 0 H ASP A 73 -3.075 11.323 -1.933 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.120 9.142 -3.551 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.769 9.361 -1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.980 11.048 -2.100 1.00 0.00 H new ATOM 1223 N GLU A 74 -4.225 12.461 -3.665 1.00 0.00 N ATOM 1224 CA GLU A 74 -4.038 13.645 -4.494 1.00 0.00 C ATOM 1225 C GLU A 74 -2.706 13.542 -5.238 1.00 0.00 C ATOM 1226 O GLU A 74 -2.650 13.642 -6.461 1.00 0.00 O ATOM 1227 CB GLU A 74 -4.070 14.903 -3.614 1.00 0.00 C ATOM 1228 CG GLU A 74 -5.412 15.057 -2.891 1.00 0.00 C ATOM 1229 CD GLU A 74 -5.461 16.357 -2.096 1.00 0.00 C ATOM 1230 OE1 GLU A 74 -4.955 16.339 -0.953 1.00 0.00 O ATOM 1231 OE2 GLU A 74 -5.988 17.346 -2.650 1.00 0.00 O ATOM 0 H GLU A 74 -4.432 12.681 -2.691 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.844 13.713 -5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.265 14.854 -2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.886 15.783 -4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.224 15.041 -3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.567 14.211 -2.221 1.00 0.00 H new ATOM 1238 N SER A 75 -1.629 13.308 -4.485 1.00 0.00 N ATOM 1239 CA SER A 75 -0.273 13.139 -4.980 1.00 0.00 C ATOM 1240 C SER A 75 -0.086 11.770 -5.651 1.00 0.00 C ATOM 1241 O SER A 75 0.889 11.075 -5.361 1.00 0.00 O ATOM 1242 CB SER A 75 0.655 13.289 -3.767 1.00 0.00 C ATOM 1243 OG SER A 75 0.179 14.320 -2.918 1.00 0.00 O ATOM 0 H SER A 75 -1.687 13.229 -3.470 1.00 0.00 H new ATOM 0 HA SER A 75 -0.046 13.883 -5.743 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.705 12.349 -3.218 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.667 13.518 -4.099 1.00 0.00 H new ATOM 0 HG SER A 75 0.775 14.409 -2.145 1.00 0.00 H new ATOM 1249 N ASP A 76 -1.011 11.391 -6.540 1.00 0.00 N ATOM 1250 CA ASP A 76 -1.076 10.108 -7.225 1.00 0.00 C ATOM 1251 C ASP A 76 0.271 9.696 -7.819 1.00 0.00 C ATOM 1252 O ASP A 76 0.614 10.092 -8.930 1.00 0.00 O ATOM 1253 CB ASP A 76 -2.163 10.157 -8.307 1.00 0.00 C ATOM 1254 CG ASP A 76 -2.261 8.846 -9.086 1.00 0.00 C ATOM 1255 OD1 ASP A 76 -1.990 7.789 -8.475 1.00 0.00 O ATOM 1256 OD2 ASP A 76 -2.614 8.924 -10.283 1.00 0.00 O ATOM 0 H ASP A 76 -1.774 12.011 -6.812 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.333 9.347 -6.488 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.125 10.375 -7.843 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.950 10.973 -8.997 1.00 0.00 H new ATOM 1261 N TYR A 77 1.022 8.898 -7.059 1.00 0.00 N ATOM 1262 CA TYR A 77 2.324 8.368 -7.429 1.00 0.00 C ATOM 1263 C TYR A 77 3.329 9.484 -7.758 1.00 0.00 C ATOM 1264 O TYR A 77 4.245 9.295 -8.553 1.00 0.00 O ATOM 1265 CB TYR A 77 2.142 7.327 -8.551 1.00 0.00 C ATOM 1266 CG TYR A 77 3.391 6.616 -9.045 1.00 0.00 C ATOM 1267 CD1 TYR A 77 4.474 6.375 -8.180 1.00 0.00 C ATOM 1268 CD2 TYR A 77 3.520 6.318 -10.414 1.00 0.00 C ATOM 1269 CE1 TYR A 77 5.709 5.952 -8.695 1.00 0.00 C ATOM 1270 CE2 TYR A 77 4.749 5.865 -10.922 1.00 0.00 C ATOM 1271 CZ TYR A 77 5.856 5.734 -10.072 1.00 0.00 C ATOM 1272 OH TYR A 77 7.096 5.535 -10.598 1.00 0.00 O ATOM 0 H TYR A 77 0.723 8.594 -6.132 1.00 0.00 H new ATOM 0 HA TYR A 77 2.770 7.854 -6.578 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.439 6.571 -8.201 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.677 7.825 -9.402 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.355 6.516 -7.116 1.00 0.00 H new ATOM 0 HD2 TYR A 77 2.674 6.438 -11.075 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.546 5.794 -8.031 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.841 5.617 -11.969 1.00 0.00 H new ATOM 0 HH TYR A 77 7.717 6.199 -10.233 1.00 0.00 H new ATOM 1282 N ILE A 78 3.198 10.649 -7.119 1.00 0.00 N ATOM 1283 CA ILE A 78 4.139 11.742 -7.328 1.00 0.00 C ATOM 1284 C ILE A 78 5.269 11.558 -6.316 1.00 0.00 C ATOM 1285 O ILE A 78 5.114 11.914 -5.150 1.00 0.00 O ATOM 1286 CB ILE A 78 3.422 13.101 -7.223 1.00 0.00 C ATOM 1287 CG1 ILE A 78 2.272 13.131 -8.249 1.00 0.00 C ATOM 1288 CG2 ILE A 78 4.421 14.239 -7.484 1.00 0.00 C ATOM 1289 CD1 ILE A 78 1.610 14.504 -8.392 1.00 0.00 C ATOM 0 H ILE A 78 2.451 10.855 -6.456 1.00 0.00 H new ATOM 0 HA ILE A 78 4.566 11.728 -8.331 1.00 0.00 H new ATOM 0 HB ILE A 78 3.013 13.237 -6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.656 12.820 -9.221 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.516 12.402 -7.956 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.908 15.198 -7.408 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.222 14.197 -6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.843 14.131 -8.483 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.811 14.447 -9.131 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.195 14.810 -7.431 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.352 15.234 -8.716 1.00 0.00 H new ATOM 1301 N GLU A 79 6.399 10.988 -6.747 1.00 0.00 N ATOM 1302 CA GLU A 79 7.524 10.716 -5.869 1.00 0.00 C ATOM 1303 C GLU A 79 8.253 12.019 -5.530 1.00 0.00 C ATOM 1304 O GLU A 79 8.869 12.622 -6.406 1.00 0.00 O ATOM 1305 CB GLU A 79 8.496 9.729 -6.534 1.00 0.00 C ATOM 1306 CG GLU A 79 7.809 8.507 -7.163 1.00 0.00 C ATOM 1307 CD GLU A 79 7.696 8.641 -8.680 1.00 0.00 C ATOM 1308 OE1 GLU A 79 7.167 9.686 -9.118 1.00 0.00 O ATOM 1309 OE2 GLU A 79 8.161 7.706 -9.370 1.00 0.00 O ATOM 0 H GLU A 79 6.552 10.705 -7.715 1.00 0.00 H new ATOM 0 HA GLU A 79 7.147 10.269 -4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.060 10.254 -7.305 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.216 9.386 -5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.373 7.607 -6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.815 8.387 -6.733 1.00 0.00 H new ATOM 1316 N VAL A 80 8.192 12.447 -4.269 1.00 0.00 N ATOM 1317 CA VAL A 80 8.871 13.632 -3.768 1.00 0.00 C ATOM 1318 C VAL A 80 9.916 13.164 -2.755 1.00 0.00 C ATOM 1319 O VAL A 80 9.572 12.580 -1.731 1.00 0.00 O ATOM 1320 CB VAL A 80 7.861 14.638 -3.184 1.00 0.00 C ATOM 1321 CG1 VAL A 80 7.344 15.562 -4.294 1.00 0.00 C ATOM 1322 CG2 VAL A 80 6.656 13.969 -2.514 1.00 0.00 C ATOM 0 H VAL A 80 7.653 11.962 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 80 9.376 14.170 -4.570 1.00 0.00 H new ATOM 0 HB VAL A 80 8.399 15.198 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.630 16.271 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.180 16.106 -4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.854 14.967 -5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.985 14.734 -2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.125 13.359 -3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.000 13.337 -1.695 1.00 0.00 H new ATOM 1332 N LYS A 81 11.199 13.388 -3.056 1.00 0.00 N ATOM 1333 CA LYS A 81 12.305 12.941 -2.219 1.00 0.00 C ATOM 1334 C LYS A 81 12.391 13.774 -0.933 1.00 0.00 C ATOM 1335 O LYS A 81 13.256 14.636 -0.791 1.00 0.00 O ATOM 1336 CB LYS A 81 13.606 12.925 -3.043 1.00 0.00 C ATOM 1337 CG LYS A 81 14.575 11.817 -2.602 1.00 0.00 C ATOM 1338 CD LYS A 81 14.998 11.934 -1.131 1.00 0.00 C ATOM 1339 CE LYS A 81 16.073 10.905 -0.765 1.00 0.00 C ATOM 1340 NZ LYS A 81 15.621 9.524 -1.012 1.00 0.00 N ATOM 0 H LYS A 81 11.496 13.888 -3.894 1.00 0.00 H new ATOM 0 HA LYS A 81 12.132 11.917 -1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.362 12.790 -4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.101 13.892 -2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.105 10.847 -2.762 1.00 0.00 H new ATOM 0 HG3 LYS A 81 15.464 11.848 -3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.376 12.938 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 81 14.128 11.794 -0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 81 16.975 11.101 -1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.339 11.017 0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.084 8.881 -0.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 14.590 9.469 -0.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 15.870 9.246 -1.983 1.00 0.00 H new ATOM 1354 N SER A 82 11.483 13.510 0.005 1.00 0.00 N ATOM 1355 CA SER A 82 11.407 14.141 1.308 1.00 0.00 C ATOM 1356 C SER A 82 10.459 13.290 2.155 1.00 0.00 C ATOM 1357 O SER A 82 9.875 13.823 3.128 1.00 0.00 O ATOM 1358 CB SER A 82 10.922 15.593 1.164 1.00 0.00 C ATOM 1359 OG SER A 82 10.742 16.181 2.436 1.00 0.00 O ATOM 1360 OXT SER A 82 10.267 12.094 1.821 1.00 0.00 O ATOM 0 H SER A 82 10.749 12.816 -0.136 1.00 0.00 H new ATOM 0 HA SER A 82 12.382 14.193 1.793 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.647 16.170 0.589 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.984 15.616 0.610 1.00 0.00 H new ATOM 0 HG SER A 82 10.364 15.519 3.052 1.00 0.00 H new TER 1366 SER A 82