USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 811 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 109 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 SER OG : rot -170:sc= -0.312 USER MOD Single : A 22 MET CE :methyl -124:sc= -0.0633 (180deg=-0.25) USER MOD Single : A 24 GLN : amide:sc= -0.684 K(o=-0.68,f=-5.6!) USER MOD Single : A 25 ASN : amide:sc= -0.485 K(o=-0.49,f=-7.1!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0252 USER MOD Single : A 37 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0222) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 163:sc=-0.00865 (180deg=-0.135) USER MOD Single : A 47 GLN : amide:sc= -0.108 K(o=-0.11,f=-4.1!) USER MOD Single : A 52 LYS NZ :NH3+ -147:sc= -0.176 (180deg=-1.05) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -54:sc= 0.507 USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= -0.886 (180deg=-1.15) USER MOD Single : A 65 SER OG : rot 180:sc= -0.995 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.027) USER MOD Single : A 83 SER OG : rot 23:sc= -0.161 USER MOD Single : A 92 GLN : amide:sc= -0.168 K(o=-0.17,f=-2.6!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= 0.984 K(o=0.98,f=-6.6!) USER MOD Single : A 105 ASN : amide:sc= -0.59 K(o=-0.59,f=-3.9!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 162:sc= -0.0164 (180deg=-0.15) USER MOD Single : A 112 ASN : amide:sc= -1.94 K(o=-1.9,f=-6.1!) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 21 10.516 -8.727 -13.218 1.00 0.00 N ATOM 2 CA ALA A 21 9.890 -7.866 -14.255 1.00 0.00 C ATOM 3 C ALA A 21 8.704 -7.096 -13.692 1.00 0.00 C ATOM 4 O ALA A 21 8.256 -7.363 -12.576 1.00 0.00 O ATOM 5 CB ALA A 21 9.449 -8.707 -15.452 1.00 0.00 C ATOM 0 HA ALA A 21 10.638 -7.144 -14.584 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.993 -8.061 -16.202 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.315 -9.208 -15.883 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.724 -9.452 -15.126 1.00 0.00 H new ATOM 13 N MET A 22 8.198 -6.141 -14.464 1.00 0.00 N ATOM 14 CA MET A 22 7.062 -5.333 -14.036 1.00 0.00 C ATOM 15 C MET A 22 7.395 -4.554 -12.759 1.00 0.00 C ATOM 16 O MET A 22 8.520 -4.605 -12.272 1.00 0.00 O ATOM 17 CB MET A 22 5.839 -6.220 -13.790 1.00 0.00 C ATOM 18 CG MET A 22 5.377 -6.965 -15.031 1.00 0.00 C ATOM 19 SD MET A 22 3.970 -6.173 -15.834 1.00 0.00 S ATOM 20 CE MET A 22 4.805 -5.117 -17.015 1.00 0.00 C ATOM 0 H MET A 22 8.557 -5.907 -15.390 1.00 0.00 H new ATOM 0 HA MET A 22 6.838 -4.623 -14.832 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.074 -6.942 -13.008 1.00 0.00 H new ATOM 0 HB3 MET A 22 5.020 -5.603 -13.419 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.204 -7.032 -15.738 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.107 -7.985 -14.758 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.490 -4.084 -16.866 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.883 -5.192 -16.872 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.551 -5.431 -18.027 1.00 0.00 H new ATOM 30 N ALA A 23 6.406 -3.833 -12.238 1.00 0.00 N ATOM 31 CA ALA A 23 6.590 -3.042 -11.027 1.00 0.00 C ATOM 32 C ALA A 23 7.597 -1.918 -11.250 1.00 0.00 C ATOM 33 O ALA A 23 8.046 -1.688 -12.373 1.00 0.00 O ATOM 34 CB ALA A 23 7.036 -3.932 -9.884 1.00 0.00 C ATOM 0 H ALA A 23 5.469 -3.781 -12.637 1.00 0.00 H new ATOM 0 HA ALA A 23 5.633 -2.588 -10.770 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.170 -3.330 -8.985 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.279 -4.695 -9.700 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.980 -4.412 -10.143 1.00 0.00 H new ATOM 40 N GLN A 24 7.946 -1.221 -10.173 1.00 0.00 N ATOM 41 CA GLN A 24 8.899 -0.119 -10.260 1.00 0.00 C ATOM 42 C GLN A 24 9.899 -0.179 -9.102 1.00 0.00 C ATOM 43 O GLN A 24 9.643 -0.808 -8.075 1.00 0.00 O ATOM 44 CB GLN A 24 8.164 1.223 -10.234 1.00 0.00 C ATOM 45 CG GLN A 24 6.993 1.289 -11.199 1.00 0.00 C ATOM 46 CD GLN A 24 7.435 1.379 -12.647 1.00 0.00 C ATOM 47 OE1 GLN A 24 8.512 0.908 -13.011 1.00 0.00 O ATOM 48 NE2 GLN A 24 6.603 1.990 -13.483 1.00 0.00 N ATOM 0 H GLN A 24 7.586 -1.398 -9.235 1.00 0.00 H new ATOM 0 HA GLN A 24 9.441 -0.212 -11.201 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.803 1.411 -9.223 1.00 0.00 H new ATOM 0 HB3 GLN A 24 8.868 2.019 -10.474 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.369 0.405 -11.068 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.376 2.154 -10.957 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.720 2.366 -13.139 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.848 2.083 -14.469 1.00 0.00 H new ATOM 57 N ASN A 25 11.039 0.481 -9.282 1.00 0.00 N ATOM 58 CA ASN A 25 12.080 0.504 -8.268 1.00 0.00 C ATOM 59 C ASN A 25 12.256 1.910 -7.694 1.00 0.00 C ATOM 60 O ASN A 25 12.933 2.748 -8.289 1.00 0.00 O ATOM 61 CB ASN A 25 13.405 0.006 -8.841 1.00 0.00 C ATOM 62 CG ASN A 25 13.817 0.774 -10.082 1.00 0.00 C ATOM 63 OD1 ASN A 25 13.060 1.600 -10.593 1.00 0.00 O ATOM 64 ND2 ASN A 25 15.021 0.506 -10.580 1.00 0.00 N ATOM 0 H ASN A 25 11.263 1.008 -10.126 1.00 0.00 H new ATOM 0 HA ASN A 25 11.772 -0.163 -7.463 1.00 0.00 H new ATOM 0 HB2 ASN A 25 14.184 0.098 -8.084 1.00 0.00 H new ATOM 0 HB3 ASN A 25 13.319 -1.053 -9.083 1.00 0.00 H new ATOM 0 HD21 ASN A 25 15.347 0.992 -11.415 1.00 0.00 H new ATOM 0 HD22 ASN A 25 15.618 -0.186 -10.127 1.00 0.00 H new ATOM 71 N ILE A 26 11.642 2.160 -6.542 1.00 0.00 N ATOM 72 CA ILE A 26 11.731 3.465 -5.904 1.00 0.00 C ATOM 73 C ILE A 26 12.606 3.403 -4.649 1.00 0.00 C ATOM 74 O ILE A 26 12.514 2.462 -3.859 1.00 0.00 O ATOM 75 CB ILE A 26 10.338 3.998 -5.512 1.00 0.00 C ATOM 76 CG1 ILE A 26 9.341 3.783 -6.647 1.00 0.00 C ATOM 77 CG2 ILE A 26 10.421 5.471 -5.133 1.00 0.00 C ATOM 78 CD1 ILE A 26 8.336 2.685 -6.373 1.00 0.00 C ATOM 0 H ILE A 26 11.080 1.477 -6.034 1.00 0.00 H new ATOM 0 HA ILE A 26 12.180 4.142 -6.631 1.00 0.00 H new ATOM 0 HB ILE A 26 9.985 3.441 -4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.807 4.715 -6.831 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.888 3.544 -7.559 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.430 5.833 -4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.098 5.592 -4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.795 6.044 -5.981 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.660 2.590 -7.223 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.860 1.742 -6.219 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.762 2.931 -5.480 1.00 0.00 H new ATOM 90 N THR A 27 13.455 4.410 -4.484 1.00 0.00 N ATOM 91 CA THR A 27 14.347 4.472 -3.332 1.00 0.00 C ATOM 92 C THR A 27 13.676 5.185 -2.153 1.00 0.00 C ATOM 93 O THR A 27 12.973 6.178 -2.341 1.00 0.00 O ATOM 94 CB THR A 27 15.646 5.188 -3.695 1.00 0.00 C ATOM 95 OG1 THR A 27 15.375 6.365 -4.444 1.00 0.00 O ATOM 96 CG2 THR A 27 16.586 4.334 -4.518 1.00 0.00 C ATOM 0 H THR A 27 13.545 5.193 -5.131 1.00 0.00 H new ATOM 0 HA THR A 27 14.575 3.448 -3.035 1.00 0.00 H new ATOM 0 HB THR A 27 16.125 5.422 -2.744 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.218 6.812 -4.667 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.490 4.900 -4.743 1.00 0.00 H new ATOM 0 HG22 THR A 27 16.850 3.438 -3.956 1.00 0.00 H new ATOM 0 HG23 THR A 27 16.097 4.048 -5.449 1.00 0.00 H new ATOM 104 N ALA A 28 13.895 4.670 -0.956 1.00 0.00 N ATOM 105 CA ALA A 28 13.309 5.257 0.244 1.00 0.00 C ATOM 106 C ALA A 28 14.285 5.213 1.407 1.00 0.00 C ATOM 107 O ALA A 28 15.260 4.460 1.389 1.00 0.00 O ATOM 108 CB ALA A 28 12.017 4.539 0.597 1.00 0.00 C ATOM 0 H ALA A 28 14.473 3.847 -0.785 1.00 0.00 H new ATOM 0 HA ALA A 28 13.084 6.304 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.587 4.984 1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.311 4.633 -0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.225 3.485 0.779 1.00 0.00 H new ATOM 114 N ARG A 29 14.015 6.023 2.426 1.00 0.00 N ATOM 115 CA ARG A 29 14.867 6.078 3.616 1.00 0.00 C ATOM 116 C ARG A 29 14.124 5.567 4.839 1.00 0.00 C ATOM 117 O ARG A 29 12.908 5.726 4.960 1.00 0.00 O ATOM 118 CB ARG A 29 15.350 7.509 3.849 1.00 0.00 C ATOM 119 CG ARG A 29 16.415 7.619 4.929 1.00 0.00 C ATOM 120 CD ARG A 29 15.938 8.460 6.103 1.00 0.00 C ATOM 121 NE ARG A 29 16.932 8.526 7.171 1.00 0.00 N ATOM 122 CZ ARG A 29 18.068 9.215 7.087 1.00 0.00 C ATOM 123 NH1 ARG A 29 18.361 9.893 5.983 1.00 0.00 N ATOM 124 NH2 ARG A 29 18.914 9.225 8.107 1.00 0.00 N ATOM 0 H ARG A 29 13.213 6.652 2.454 1.00 0.00 H new ATOM 0 HA ARG A 29 15.731 5.434 3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 29 15.748 7.907 2.915 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.499 8.132 4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.682 6.622 5.280 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.317 8.061 4.507 1.00 0.00 H new ATOM 0 HD2 ARG A 29 15.710 9.468 5.757 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.012 8.041 6.496 1.00 0.00 H new ATOM 0 HE ARG A 29 16.745 8.014 8.033 1.00 0.00 H new ATOM 0 HH11 ARG A 29 17.714 9.887 5.194 1.00 0.00 H new ATOM 0 HH12 ARG A 29 19.233 10.419 5.924 1.00 0.00 H new ATOM 0 HH21 ARG A 29 18.695 8.705 8.957 1.00 0.00 H new ATOM 0 HH22 ARG A 29 19.784 9.753 8.043 1.00 0.00 H new ATOM 138 N ILE A 30 14.861 4.951 5.757 1.00 0.00 N ATOM 139 CA ILE A 30 14.269 4.415 6.979 1.00 0.00 C ATOM 140 C ILE A 30 13.966 5.524 7.981 1.00 0.00 C ATOM 141 O ILE A 30 14.806 6.384 8.246 1.00 0.00 O ATOM 142 CB ILE A 30 15.183 3.371 7.653 1.00 0.00 C ATOM 143 CG1 ILE A 30 16.641 3.837 7.638 1.00 0.00 C ATOM 144 CG2 ILE A 30 15.046 2.021 6.965 1.00 0.00 C ATOM 145 CD1 ILE A 30 17.362 3.614 8.950 1.00 0.00 C ATOM 0 H ILE A 30 15.868 4.810 5.679 1.00 0.00 H new ATOM 0 HA ILE A 30 13.340 3.930 6.680 1.00 0.00 H new ATOM 0 HB ILE A 30 14.871 3.263 8.692 1.00 0.00 H new ATOM 0 HG12 ILE A 30 17.174 3.310 6.846 1.00 0.00 H new ATOM 0 HG13 ILE A 30 16.672 4.898 7.392 1.00 0.00 H new ATOM 0 HG21 ILE A 30 15.698 1.296 7.453 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.012 1.682 7.031 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.330 2.116 5.917 1.00 0.00 H new ATOM 0 HD11 ILE A 30 18.389 3.968 8.865 1.00 0.00 H new ATOM 0 HD12 ILE A 30 16.853 4.163 9.743 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.363 2.550 9.188 1.00 0.00 H new ATOM 157 N GLY A 31 12.760 5.493 8.541 1.00 0.00 N ATOM 158 CA GLY A 31 12.363 6.494 9.515 1.00 0.00 C ATOM 159 C GLY A 31 11.944 7.811 8.883 1.00 0.00 C ATOM 160 O GLY A 31 11.641 8.771 9.591 1.00 0.00 O ATOM 0 H GLY A 31 12.049 4.791 8.337 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.537 6.105 10.110 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.192 6.674 10.200 1.00 0.00 H new ATOM 164 N GLU A 32 11.924 7.862 7.554 1.00 0.00 N ATOM 165 CA GLU A 32 11.536 9.078 6.847 1.00 0.00 C ATOM 166 C GLU A 32 10.067 9.023 6.436 1.00 0.00 C ATOM 167 O GLU A 32 9.632 8.052 5.809 1.00 0.00 O ATOM 168 CB GLU A 32 12.418 9.282 5.614 1.00 0.00 C ATOM 169 CG GLU A 32 12.487 10.728 5.150 1.00 0.00 C ATOM 170 CD GLU A 32 13.385 11.578 6.027 1.00 0.00 C ATOM 171 OE1 GLU A 32 14.351 11.028 6.604 1.00 0.00 O ATOM 172 OE2 GLU A 32 13.123 12.793 6.143 1.00 0.00 O ATOM 0 H GLU A 32 12.171 7.080 6.948 1.00 0.00 H new ATOM 0 HA GLU A 32 11.673 9.921 7.524 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.426 8.932 5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.038 8.665 4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.852 10.760 4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.483 11.152 5.144 1.00 0.00 H new ATOM 179 N PRO A 33 9.277 10.065 6.753 1.00 0.00 N ATOM 180 CA PRO A 33 7.853 10.114 6.395 1.00 0.00 C ATOM 181 C PRO A 33 7.642 10.124 4.885 1.00 0.00 C ATOM 182 O PRO A 33 8.294 10.881 4.172 1.00 0.00 O ATOM 183 CB PRO A 33 7.362 11.433 7.016 1.00 0.00 C ATOM 184 CG PRO A 33 8.400 11.815 8.016 1.00 0.00 C ATOM 185 CD PRO A 33 9.697 11.268 7.496 1.00 0.00 C ATOM 0 HA PRO A 33 7.314 9.239 6.757 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.247 12.205 6.256 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.389 11.305 7.490 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.451 12.898 8.131 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.167 11.401 8.997 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.207 11.983 6.850 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.385 11.023 8.305 1.00 0.00 H new ATOM 193 N LEU A 34 6.730 9.282 4.416 1.00 0.00 N ATOM 194 CA LEU A 34 6.440 9.201 2.988 1.00 0.00 C ATOM 195 C LEU A 34 4.940 9.107 2.725 1.00 0.00 C ATOM 196 O LEU A 34 4.209 8.470 3.492 1.00 0.00 O ATOM 197 CB LEU A 34 7.146 7.994 2.361 1.00 0.00 C ATOM 198 CG LEU A 34 8.581 8.249 1.905 1.00 0.00 C ATOM 199 CD1 LEU A 34 9.537 8.153 3.082 1.00 0.00 C ATOM 200 CD2 LEU A 34 8.974 7.266 0.814 1.00 0.00 C ATOM 0 H LEU A 34 6.181 8.649 4.998 1.00 0.00 H new ATOM 0 HA LEU A 34 6.813 10.117 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.150 7.179 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.563 7.656 1.504 1.00 0.00 H new ATOM 0 HG LEU A 34 8.641 9.258 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.555 8.337 2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.266 8.896 3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.476 7.157 3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.999 7.461 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.899 6.248 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.305 7.382 -0.039 1.00 0.00 H new ATOM 212 N VAL A 35 4.492 9.740 1.646 1.00 0.00 N ATOM 213 CA VAL A 35 3.081 9.725 1.281 1.00 0.00 C ATOM 214 C VAL A 35 2.896 9.254 -0.143 1.00 0.00 C ATOM 215 O VAL A 35 3.687 9.596 -1.022 1.00 0.00 O ATOM 216 CB VAL A 35 2.440 11.117 1.443 1.00 0.00 C ATOM 217 CG1 VAL A 35 0.940 11.048 1.203 1.00 0.00 C ATOM 218 CG2 VAL A 35 2.739 11.685 2.822 1.00 0.00 C ATOM 0 H VAL A 35 5.086 10.270 1.009 1.00 0.00 H new ATOM 0 HA VAL A 35 2.585 9.030 1.958 1.00 0.00 H new ATOM 0 HB VAL A 35 2.873 11.784 0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.506 12.041 1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.749 10.688 0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.487 10.366 1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.278 12.668 2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.336 11.019 3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.817 11.775 2.952 1.00 0.00 H new ATOM 228 N LEU A 36 1.852 8.466 -0.384 1.00 0.00 N ATOM 229 CA LEU A 36 1.570 7.948 -1.711 1.00 0.00 C ATOM 230 C LEU A 36 0.068 7.867 -1.963 1.00 0.00 C ATOM 231 O LEU A 36 -0.715 7.651 -1.038 1.00 0.00 O ATOM 232 CB LEU A 36 2.206 6.567 -1.890 1.00 0.00 C ATOM 233 CG LEU A 36 3.346 6.508 -2.916 1.00 0.00 C ATOM 234 CD1 LEU A 36 3.842 5.079 -3.069 1.00 0.00 C ATOM 235 CD2 LEU A 36 2.893 7.070 -4.247 1.00 0.00 C ATOM 0 H LEU A 36 1.186 8.173 0.331 1.00 0.00 H new ATOM 0 HA LEU A 36 2.002 8.636 -2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.587 6.231 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.430 5.862 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 36 4.173 7.121 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.650 5.051 -3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.208 4.716 -2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.024 4.444 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.714 7.020 -4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.051 6.487 -4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.587 8.108 -4.118 1.00 0.00 H new ATOM 247 N LYS A 37 -0.327 8.040 -3.219 1.00 0.00 N ATOM 248 CA LYS A 37 -1.736 7.986 -3.593 1.00 0.00 C ATOM 249 C LYS A 37 -2.018 6.777 -4.488 1.00 0.00 C ATOM 250 O LYS A 37 -1.350 6.569 -5.494 1.00 0.00 O ATOM 251 CB LYS A 37 -2.143 9.270 -4.317 1.00 0.00 C ATOM 252 CG LYS A 37 -2.380 10.445 -3.382 1.00 0.00 C ATOM 253 CD LYS A 37 -1.169 11.362 -3.319 1.00 0.00 C ATOM 254 CE LYS A 37 -1.376 12.618 -4.149 1.00 0.00 C ATOM 255 NZ LYS A 37 -1.596 12.304 -5.596 1.00 0.00 N ATOM 0 H LYS A 37 0.309 8.219 -3.996 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.323 7.887 -2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.365 9.536 -5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.051 9.082 -4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.248 11.011 -3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.610 10.075 -2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.974 11.638 -2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.289 10.829 -3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.233 13.170 -3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.506 13.267 -4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.614 13.188 -6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.824 11.699 -5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.503 11.807 -5.710 1.00 0.00 H new ATOM 269 N CYS A 38 -3.012 5.985 -4.093 1.00 0.00 N ATOM 270 CA CYS A 38 -3.383 4.797 -4.855 1.00 0.00 C ATOM 271 C CYS A 38 -4.867 4.825 -5.211 1.00 0.00 C ATOM 272 O CYS A 38 -5.675 4.111 -4.624 1.00 0.00 O ATOM 273 CB CYS A 38 -3.054 3.531 -4.059 1.00 0.00 C ATOM 274 SG CYS A 38 -1.710 2.531 -4.778 1.00 0.00 S ATOM 0 H CYS A 38 -3.571 6.143 -3.255 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.807 4.791 -5.780 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.779 3.814 -3.043 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.951 2.916 -3.986 1.00 0.00 H new ATOM 279 N LYS A 39 -5.219 5.658 -6.185 1.00 0.00 N ATOM 280 CA LYS A 39 -6.605 5.782 -6.621 1.00 0.00 C ATOM 281 C LYS A 39 -6.893 4.850 -7.794 1.00 0.00 C ATOM 282 O LYS A 39 -6.027 4.086 -8.219 1.00 0.00 O ATOM 283 CB LYS A 39 -6.906 7.229 -7.019 1.00 0.00 C ATOM 284 CG LYS A 39 -6.041 7.737 -8.161 1.00 0.00 C ATOM 285 CD LYS A 39 -6.824 8.651 -9.091 1.00 0.00 C ATOM 286 CE LYS A 39 -7.206 7.942 -10.388 1.00 0.00 C ATOM 287 NZ LYS A 39 -7.820 8.872 -11.366 1.00 0.00 N ATOM 0 H LYS A 39 -4.564 6.257 -6.687 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.249 5.498 -5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.955 7.308 -7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.763 7.873 -6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.184 8.275 -7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.649 6.891 -8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.726 8.998 -8.586 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.228 9.534 -9.321 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.319 7.487 -10.828 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.904 7.134 -10.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.065 8.352 -12.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.681 9.288 -10.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.145 9.629 -11.596 1.00 0.00 H new ATOM 301 N GLY A 40 -8.115 4.919 -8.320 1.00 0.00 N ATOM 302 CA GLY A 40 -8.494 4.076 -9.430 1.00 0.00 C ATOM 303 C GLY A 40 -9.932 4.292 -9.858 1.00 0.00 C ATOM 304 O GLY A 40 -10.226 4.384 -11.050 1.00 0.00 O ATOM 0 H GLY A 40 -8.848 5.548 -7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.833 4.274 -10.274 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.354 3.031 -9.153 1.00 0.00 H new ATOM 308 N ALA A 41 -10.832 4.373 -8.883 1.00 0.00 N ATOM 309 CA ALA A 41 -12.247 4.578 -9.163 1.00 0.00 C ATOM 310 C ALA A 41 -12.477 5.894 -9.903 1.00 0.00 C ATOM 311 O ALA A 41 -11.564 6.711 -10.030 1.00 0.00 O ATOM 312 CB ALA A 41 -13.049 4.551 -7.871 1.00 0.00 C ATOM 0 H ALA A 41 -10.605 4.300 -7.891 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.586 3.766 -9.806 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.105 4.705 -8.095 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.919 3.585 -7.382 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.699 5.343 -7.209 1.00 0.00 H new ATOM 318 N PRO A 42 -13.704 6.117 -10.402 1.00 0.00 N ATOM 319 CA PRO A 42 -14.053 7.341 -11.133 1.00 0.00 C ATOM 320 C PRO A 42 -13.787 8.600 -10.315 1.00 0.00 C ATOM 321 O PRO A 42 -13.053 8.567 -9.327 1.00 0.00 O ATOM 322 CB PRO A 42 -15.553 7.188 -11.402 1.00 0.00 C ATOM 323 CG PRO A 42 -15.813 5.724 -11.317 1.00 0.00 C ATOM 324 CD PRO A 42 -14.849 5.193 -10.295 1.00 0.00 C ATOM 0 HA PRO A 42 -13.456 7.455 -12.038 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -16.143 7.737 -10.668 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.820 7.580 -12.384 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -16.843 5.527 -11.021 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -15.661 5.244 -12.284 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -15.279 5.199 -9.294 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -14.559 4.165 -10.511 1.00 0.00 H new ATOM 332 N LYS A 43 -14.389 9.709 -10.731 1.00 0.00 N ATOM 333 CA LYS A 43 -14.218 10.980 -10.044 1.00 0.00 C ATOM 334 C LYS A 43 -14.657 10.873 -8.578 1.00 0.00 C ATOM 335 O LYS A 43 -14.240 11.668 -7.735 1.00 0.00 O ATOM 336 CB LYS A 43 -15.012 12.082 -10.741 1.00 0.00 C ATOM 337 CG LYS A 43 -14.523 13.485 -10.417 1.00 0.00 C ATOM 338 CD LYS A 43 -15.042 14.501 -11.421 1.00 0.00 C ATOM 339 CE LYS A 43 -14.168 14.553 -12.663 1.00 0.00 C ATOM 340 NZ LYS A 43 -12.991 15.446 -12.477 1.00 0.00 N ATOM 0 H LYS A 43 -15.002 9.751 -11.545 1.00 0.00 H new ATOM 0 HA LYS A 43 -13.158 11.234 -10.075 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.961 11.929 -11.819 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.061 11.997 -10.457 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.849 13.763 -9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.433 13.500 -10.413 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.063 14.246 -11.704 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.077 15.487 -10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.826 13.548 -12.908 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.760 14.904 -13.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.420 15.454 -13.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.317 16.411 -12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.412 15.097 -11.686 1.00 0.00 H new ATOM 354 N LYS A 44 -15.500 9.889 -8.289 1.00 0.00 N ATOM 355 CA LYS A 44 -15.994 9.679 -6.933 1.00 0.00 C ATOM 356 C LYS A 44 -15.142 8.646 -6.199 1.00 0.00 C ATOM 357 O LYS A 44 -14.541 7.770 -6.822 1.00 0.00 O ATOM 358 CB LYS A 44 -17.454 9.223 -6.965 1.00 0.00 C ATOM 359 CG LYS A 44 -18.336 10.069 -7.870 1.00 0.00 C ATOM 360 CD LYS A 44 -19.747 9.510 -7.950 1.00 0.00 C ATOM 361 CE LYS A 44 -20.415 9.871 -9.267 1.00 0.00 C ATOM 362 NZ LYS A 44 -19.846 9.102 -10.416 1.00 0.00 N ATOM 0 H LYS A 44 -15.856 9.224 -8.975 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.928 10.626 -6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -17.495 8.186 -7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -17.856 9.249 -5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.369 11.092 -7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.902 10.109 -8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -19.717 8.426 -7.841 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -20.340 9.897 -7.122 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -21.485 9.676 -9.195 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -20.297 10.939 -9.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -20.498 9.153 -11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.928 9.509 -10.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -19.716 8.108 -10.138 1.00 0.00 H new ATOM 376 N PRO A 45 -15.079 8.735 -4.859 1.00 0.00 N ATOM 377 CA PRO A 45 -14.295 7.803 -4.043 1.00 0.00 C ATOM 378 C PRO A 45 -14.900 6.400 -4.027 1.00 0.00 C ATOM 379 O PRO A 45 -16.121 6.243 -3.994 1.00 0.00 O ATOM 380 CB PRO A 45 -14.347 8.423 -2.645 1.00 0.00 C ATOM 381 CG PRO A 45 -15.596 9.233 -2.635 1.00 0.00 C ATOM 382 CD PRO A 45 -15.766 9.748 -4.037 1.00 0.00 C ATOM 0 HA PRO A 45 -13.284 7.674 -4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.367 7.655 -1.872 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.471 9.044 -2.455 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -16.451 8.628 -2.335 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.522 10.055 -1.923 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -16.818 9.838 -4.307 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -15.320 10.735 -4.159 1.00 0.00 H new ATOM 390 N PRO A 46 -14.052 5.355 -4.049 1.00 0.00 N ATOM 391 CA PRO A 46 -14.513 3.965 -4.039 1.00 0.00 C ATOM 392 C PRO A 46 -15.039 3.540 -2.671 1.00 0.00 C ATOM 393 O PRO A 46 -14.677 4.121 -1.656 1.00 0.00 O ATOM 394 CB PRO A 46 -13.256 3.173 -4.404 1.00 0.00 C ATOM 395 CG PRO A 46 -12.131 4.022 -3.924 1.00 0.00 C ATOM 396 CD PRO A 46 -12.578 5.448 -4.089 1.00 0.00 C ATOM 0 HA PRO A 46 -15.346 3.804 -4.724 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -13.249 2.195 -3.923 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.193 3.000 -5.478 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.898 3.806 -2.881 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.226 3.829 -4.499 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.194 6.084 -3.291 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.228 5.872 -5.030 1.00 0.00 H new ATOM 404 N GLN A 47 -15.894 2.523 -2.662 1.00 0.00 N ATOM 405 CA GLN A 47 -16.470 2.019 -1.421 1.00 0.00 C ATOM 406 C GLN A 47 -15.769 0.741 -0.976 1.00 0.00 C ATOM 407 O GLN A 47 -15.829 0.372 0.189 1.00 0.00 O ATOM 408 CB GLN A 47 -17.967 1.759 -1.598 1.00 0.00 C ATOM 409 CG GLN A 47 -18.836 2.959 -1.258 1.00 0.00 C ATOM 410 CD GLN A 47 -19.280 3.724 -2.490 1.00 0.00 C ATOM 411 OE1 GLN A 47 -19.040 3.299 -3.628 1.00 0.00 O ATOM 412 NE2 GLN A 47 -19.934 4.860 -2.277 1.00 0.00 N ATOM 0 H GLN A 47 -16.203 2.031 -3.501 1.00 0.00 H new ATOM 0 HA GLN A 47 -16.329 2.776 -0.650 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.157 1.464 -2.630 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.259 0.919 -0.968 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -19.714 2.623 -0.707 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.283 3.628 -0.599 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -20.112 5.175 -1.323 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -20.259 5.417 -3.067 1.00 0.00 H new ATOM 421 N ARG A 48 -15.105 0.071 -1.912 1.00 0.00 N ATOM 422 CA ARG A 48 -14.393 -1.165 -1.599 1.00 0.00 C ATOM 423 C ARG A 48 -12.948 -1.094 -2.092 1.00 0.00 C ATOM 424 O ARG A 48 -12.677 -0.639 -3.195 1.00 0.00 O ATOM 425 CB ARG A 48 -15.105 -2.359 -2.248 1.00 0.00 C ATOM 426 CG ARG A 48 -15.706 -3.323 -1.229 1.00 0.00 C ATOM 427 CD ARG A 48 -16.001 -4.676 -1.855 1.00 0.00 C ATOM 428 NE ARG A 48 -15.009 -5.681 -1.479 1.00 0.00 N ATOM 429 CZ ARG A 48 -15.088 -6.966 -1.818 1.00 0.00 C ATOM 430 NH1 ARG A 48 -16.111 -7.406 -2.548 1.00 0.00 N ATOM 431 NH2 ARG A 48 -14.142 -7.813 -1.434 1.00 0.00 N ATOM 0 H ARG A 48 -15.044 0.360 -2.888 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.386 -1.294 -0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.896 -1.991 -2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.397 -2.899 -2.877 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.017 -3.449 -0.394 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.625 -2.900 -0.823 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.991 -5.010 -1.546 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.023 -4.576 -2.940 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.208 -5.380 -0.924 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.838 -6.758 -2.850 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.167 -8.391 -2.805 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -13.354 -7.480 -0.879 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -14.203 -8.797 -1.694 1.00 0.00 H new ATOM 445 N LEU A 49 -12.024 -1.547 -1.242 1.00 0.00 N ATOM 446 CA LEU A 49 -10.607 -1.536 -1.583 1.00 0.00 C ATOM 447 C LEU A 49 -9.837 -2.546 -0.738 1.00 0.00 C ATOM 448 O LEU A 49 -10.201 -2.819 0.389 1.00 0.00 O ATOM 449 CB LEU A 49 -10.024 -0.135 -1.382 1.00 0.00 C ATOM 450 CG LEU A 49 -8.513 -0.019 -1.609 1.00 0.00 C ATOM 451 CD1 LEU A 49 -8.192 1.189 -2.484 1.00 0.00 C ATOM 452 CD2 LEU A 49 -7.780 0.068 -0.279 1.00 0.00 C ATOM 0 H LEU A 49 -12.234 -1.924 -0.318 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.508 -1.816 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.531 0.553 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.249 0.193 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.173 -0.914 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.114 1.254 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.686 1.081 -3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.546 2.097 -1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.708 0.150 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.124 0.945 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.982 -0.829 0.307 1.00 0.00 H new ATOM 464 N GLU A 50 -8.772 -3.099 -1.309 1.00 0.00 N ATOM 465 CA GLU A 50 -7.950 -4.078 -0.616 1.00 0.00 C ATOM 466 C GLU A 50 -6.466 -3.801 -0.830 1.00 0.00 C ATOM 467 O GLU A 50 -6.068 -3.317 -1.890 1.00 0.00 O ATOM 468 CB GLU A 50 -8.292 -5.493 -1.079 1.00 0.00 C ATOM 469 CG GLU A 50 -8.333 -5.639 -2.591 1.00 0.00 C ATOM 470 CD GLU A 50 -9.411 -6.600 -3.055 1.00 0.00 C ATOM 471 OE1 GLU A 50 -9.248 -7.820 -2.847 1.00 0.00 O ATOM 472 OE2 GLU A 50 -10.418 -6.131 -3.626 1.00 0.00 O ATOM 0 H GLU A 50 -8.459 -2.883 -2.255 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.163 -3.995 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.556 -6.188 -0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.260 -5.778 -0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.504 -4.662 -3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.363 -5.988 -2.945 1.00 0.00 H new ATOM 479 N TRP A 51 -5.654 -4.110 0.158 1.00 0.00 N ATOM 480 CA TRP A 51 -4.214 -3.892 0.069 1.00 0.00 C ATOM 481 C TRP A 51 -3.457 -5.216 0.100 1.00 0.00 C ATOM 482 O TRP A 51 -3.760 -6.102 0.891 1.00 0.00 O ATOM 483 CB TRP A 51 -3.741 -2.994 1.224 1.00 0.00 C ATOM 484 CG TRP A 51 -3.033 -1.760 0.746 1.00 0.00 C ATOM 485 CD1 TRP A 51 -3.512 -0.825 -0.111 1.00 0.00 C ATOM 486 CD2 TRP A 51 -1.719 -1.328 1.117 1.00 0.00 C ATOM 487 NE1 TRP A 51 -2.575 0.161 -0.305 1.00 0.00 N ATOM 488 CE2 TRP A 51 -1.467 -0.125 0.431 1.00 0.00 C ATOM 489 CE3 TRP A 51 -0.731 -1.841 1.963 1.00 0.00 C ATOM 490 CZ2 TRP A 51 -0.269 0.573 0.566 1.00 0.00 C ATOM 491 CZ3 TRP A 51 0.458 -1.148 2.095 1.00 0.00 C ATOM 492 CH2 TRP A 51 0.680 0.048 1.408 1.00 0.00 C ATOM 0 H TRP A 51 -5.963 -4.516 1.041 1.00 0.00 H new ATOM 0 HA TRP A 51 -4.005 -3.398 -0.880 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -4.600 -2.704 1.828 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.074 -3.563 1.871 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.488 -0.851 -0.574 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -2.692 0.977 -0.905 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.894 -2.762 2.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -0.093 1.493 0.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.230 -1.539 2.742 1.00 0.00 H new ATOM 0 HH2 TRP A 51 1.616 0.570 1.542 1.00 0.00 H new ATOM 503 N LYS A 52 -2.472 -5.343 -0.784 1.00 0.00 N ATOM 504 CA LYS A 52 -1.670 -6.558 -0.859 1.00 0.00 C ATOM 505 C LYS A 52 -0.210 -6.224 -1.152 1.00 0.00 C ATOM 506 O LYS A 52 0.100 -5.514 -2.108 1.00 0.00 O ATOM 507 CB LYS A 52 -2.217 -7.482 -1.949 1.00 0.00 C ATOM 508 CG LYS A 52 -3.431 -8.286 -1.511 1.00 0.00 C ATOM 509 CD LYS A 52 -4.299 -8.680 -2.698 1.00 0.00 C ATOM 510 CE LYS A 52 -5.730 -8.199 -2.536 1.00 0.00 C ATOM 511 NZ LYS A 52 -6.290 -8.576 -1.201 1.00 0.00 N ATOM 0 H LYS A 52 -2.211 -4.622 -1.456 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.725 -7.065 0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.482 -6.884 -2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.430 -8.169 -2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.104 -9.183 -0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.021 -7.700 -0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.876 -8.262 -3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.291 -9.764 -2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.766 -7.116 -2.654 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.349 -8.626 -3.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.309 -8.761 -1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.812 -9.432 -0.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.138 -7.797 -0.529 1.00 0.00 H new ATOM 525 N LEU A 53 0.686 -6.740 -0.316 1.00 0.00 N ATOM 526 CA LEU A 53 2.114 -6.493 -0.469 1.00 0.00 C ATOM 527 C LEU A 53 2.903 -7.797 -0.421 1.00 0.00 C ATOM 528 O LEU A 53 2.422 -8.807 0.078 1.00 0.00 O ATOM 529 CB LEU A 53 2.622 -5.540 0.601 1.00 0.00 C ATOM 530 CG LEU A 53 1.583 -4.559 1.146 1.00 0.00 C ATOM 531 CD1 LEU A 53 2.141 -3.799 2.338 1.00 0.00 C ATOM 532 CD2 LEU A 53 1.138 -3.596 0.064 1.00 0.00 C ATOM 0 H LEU A 53 0.446 -7.334 0.477 1.00 0.00 H new ATOM 0 HA LEU A 53 2.263 -6.031 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.014 -6.127 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.456 -4.970 0.191 1.00 0.00 H new ATOM 0 HG LEU A 53 0.715 -5.129 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.388 -3.106 2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.409 -4.503 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.027 -3.242 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.399 -2.907 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.998 -3.033 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.696 -4.155 -0.761 1.00 0.00 H new ATOM 544 N ASN A 54 4.118 -7.767 -0.958 1.00 0.00 N ATOM 545 CA ASN A 54 4.976 -8.946 -0.974 1.00 0.00 C ATOM 546 C ASN A 54 6.316 -8.650 -0.307 1.00 0.00 C ATOM 547 O ASN A 54 7.092 -7.824 -0.789 1.00 0.00 O ATOM 548 CB ASN A 54 5.203 -9.419 -2.410 1.00 0.00 C ATOM 549 CG ASN A 54 4.144 -10.403 -2.869 1.00 0.00 C ATOM 550 OD1 ASN A 54 3.154 -10.022 -3.493 1.00 0.00 O ATOM 551 ND2 ASN A 54 4.350 -11.679 -2.559 1.00 0.00 N ATOM 0 H ASN A 54 4.531 -6.939 -1.388 1.00 0.00 H new ATOM 0 HA ASN A 54 4.476 -9.736 -0.414 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.208 -8.557 -3.077 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.185 -9.885 -2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.673 -12.388 -2.840 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.186 -11.949 -2.040 1.00 0.00 H new ATOM 558 N THR A 55 6.581 -9.328 0.789 1.00 0.00 N ATOM 559 CA THR A 55 7.828 -9.138 1.522 1.00 0.00 C ATOM 560 C THR A 55 8.306 -10.450 2.133 1.00 0.00 C ATOM 561 O THR A 55 7.529 -11.391 2.295 1.00 0.00 O ATOM 562 CB THR A 55 7.645 -8.087 2.622 1.00 0.00 C ATOM 563 OG1 THR A 55 6.287 -7.702 2.731 1.00 0.00 O ATOM 564 CG2 THR A 55 8.461 -6.834 2.393 1.00 0.00 C ATOM 0 H THR A 55 5.952 -10.019 1.198 1.00 0.00 H new ATOM 0 HA THR A 55 8.583 -8.789 0.818 1.00 0.00 H new ATOM 0 HB THR A 55 7.992 -8.566 3.538 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.193 -7.032 3.440 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.285 -6.131 3.208 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.520 -7.091 2.357 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.167 -6.376 1.449 1.00 0.00 H new ATOM 572 N GLY A 56 9.589 -10.503 2.484 1.00 0.00 N ATOM 573 CA GLY A 56 10.147 -11.702 3.071 1.00 0.00 C ATOM 574 C GLY A 56 9.532 -12.012 4.421 1.00 0.00 C ATOM 575 O GLY A 56 9.460 -13.172 4.827 1.00 0.00 O ATOM 0 H GLY A 56 10.250 -9.734 2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.987 -12.544 2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.225 -11.584 3.182 1.00 0.00 H new ATOM 579 N ARG A 57 9.088 -10.971 5.124 1.00 0.00 N ATOM 580 CA ARG A 57 8.473 -11.131 6.429 1.00 0.00 C ATOM 581 C ARG A 57 6.950 -11.052 6.338 1.00 0.00 C ATOM 582 O ARG A 57 6.246 -11.431 7.274 1.00 0.00 O ATOM 583 CB ARG A 57 8.993 -10.061 7.390 1.00 0.00 C ATOM 584 CG ARG A 57 8.525 -10.249 8.832 1.00 0.00 C ATOM 585 CD ARG A 57 9.146 -11.486 9.454 1.00 0.00 C ATOM 586 NE ARG A 57 8.655 -11.713 10.820 1.00 0.00 N ATOM 587 CZ ARG A 57 9.182 -12.602 11.651 1.00 0.00 C ATOM 588 NH1 ARG A 57 10.215 -13.347 11.284 1.00 0.00 N ATOM 589 NH2 ARG A 57 8.677 -12.745 12.876 1.00 0.00 N ATOM 0 H ARG A 57 9.146 -10.004 4.804 1.00 0.00 H new ATOM 0 HA ARG A 57 8.740 -12.118 6.807 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.083 -10.065 7.368 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.670 -9.081 7.038 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.790 -9.371 9.421 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.439 -10.333 8.856 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.920 -12.356 8.837 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.231 -11.380 9.470 1.00 0.00 H new ATOM 0 HE ARG A 57 7.865 -11.156 11.147 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.615 -13.241 10.352 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.610 -14.027 11.934 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.887 -12.171 13.172 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.080 -13.428 13.517 1.00 0.00 H new ATOM 603 N THR A 58 6.447 -10.556 5.207 1.00 0.00 N ATOM 604 CA THR A 58 5.007 -10.425 4.996 1.00 0.00 C ATOM 605 C THR A 58 4.312 -9.820 6.206 1.00 0.00 C ATOM 606 O THR A 58 3.250 -10.284 6.622 1.00 0.00 O ATOM 607 CB THR A 58 4.391 -11.785 4.650 1.00 0.00 C ATOM 608 OG1 THR A 58 3.030 -11.642 4.285 1.00 0.00 O ATOM 609 CG2 THR A 58 4.458 -12.779 5.789 1.00 0.00 C ATOM 0 H THR A 58 7.017 -10.238 4.423 1.00 0.00 H new ATOM 0 HA THR A 58 4.858 -9.745 4.157 1.00 0.00 H new ATOM 0 HB THR A 58 4.984 -12.167 3.819 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.550 -11.163 4.993 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.005 -13.720 5.478 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.499 -12.950 6.062 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.918 -12.384 6.649 1.00 0.00 H new ATOM 617 N GLU A 59 4.918 -8.782 6.771 1.00 0.00 N ATOM 618 CA GLU A 59 4.359 -8.112 7.941 1.00 0.00 C ATOM 619 C GLU A 59 3.726 -6.776 7.561 1.00 0.00 C ATOM 620 O GLU A 59 2.891 -6.244 8.300 1.00 0.00 O ATOM 621 CB GLU A 59 5.445 -7.896 8.998 1.00 0.00 C ATOM 622 CG GLU A 59 5.082 -8.454 10.365 1.00 0.00 C ATOM 623 CD GLU A 59 5.881 -7.815 11.485 1.00 0.00 C ATOM 624 OE1 GLU A 59 7.022 -7.378 11.226 1.00 0.00 O ATOM 625 OE2 GLU A 59 5.364 -7.749 12.628 1.00 0.00 O ATOM 0 H GLU A 59 5.797 -8.385 6.438 1.00 0.00 H new ATOM 0 HA GLU A 59 3.580 -8.752 8.355 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.369 -8.363 8.658 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.643 -6.828 9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.019 -8.298 10.547 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.251 -9.531 10.371 1.00 0.00 H new ATOM 632 N ALA A 60 4.128 -6.239 6.414 1.00 0.00 N ATOM 633 CA ALA A 60 3.600 -4.964 5.948 1.00 0.00 C ATOM 634 C ALA A 60 2.237 -5.140 5.279 1.00 0.00 C ATOM 635 O ALA A 60 1.448 -4.199 5.201 1.00 0.00 O ATOM 636 CB ALA A 60 4.576 -4.317 4.970 1.00 0.00 C ATOM 0 H ALA A 60 4.815 -6.666 5.793 1.00 0.00 H new ATOM 0 HA ALA A 60 3.474 -4.316 6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.171 -3.365 4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.531 -4.148 5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.724 -4.976 4.115 1.00 0.00 H new ATOM 642 N TRP A 61 1.968 -6.350 4.805 1.00 0.00 N ATOM 643 CA TRP A 61 0.701 -6.653 4.151 1.00 0.00 C ATOM 644 C TRP A 61 -0.473 -6.375 5.085 1.00 0.00 C ATOM 645 O TRP A 61 -0.560 -6.942 6.174 1.00 0.00 O ATOM 646 CB TRP A 61 0.679 -8.115 3.697 1.00 0.00 C ATOM 647 CG TRP A 61 -0.605 -8.519 3.034 1.00 0.00 C ATOM 648 CD1 TRP A 61 -1.542 -7.690 2.496 1.00 0.00 C ATOM 649 CD2 TRP A 61 -1.090 -9.853 2.850 1.00 0.00 C ATOM 650 NE1 TRP A 61 -2.582 -8.428 1.984 1.00 0.00 N ATOM 651 CE2 TRP A 61 -2.328 -9.758 2.185 1.00 0.00 C ATOM 652 CE3 TRP A 61 -0.599 -11.119 3.182 1.00 0.00 C ATOM 653 CZ2 TRP A 61 -3.079 -10.881 1.856 1.00 0.00 C ATOM 654 CZ3 TRP A 61 -1.346 -12.232 2.845 1.00 0.00 C ATOM 655 CH2 TRP A 61 -2.573 -12.107 2.192 1.00 0.00 C ATOM 0 H TRP A 61 2.612 -7.139 4.861 1.00 0.00 H new ATOM 0 HA TRP A 61 0.603 -6.008 3.278 1.00 0.00 H new ATOM 0 HB2 TRP A 61 1.504 -8.284 3.005 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.850 -8.758 4.561 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -1.477 -6.612 2.475 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.410 -8.046 1.527 1.00 0.00 H new ATOM 0 HE3 TRP A 61 0.347 -11.225 3.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -4.030 -10.789 1.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.974 -13.215 3.091 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.135 -12.996 1.947 1.00 0.00 H new ATOM 666 N LYS A 62 -1.373 -5.497 4.660 1.00 0.00 N ATOM 667 CA LYS A 62 -2.541 -5.144 5.451 1.00 0.00 C ATOM 668 C LYS A 62 -3.824 -5.279 4.638 1.00 0.00 C ATOM 669 O LYS A 62 -3.836 -5.028 3.440 1.00 0.00 O ATOM 670 CB LYS A 62 -2.409 -3.716 5.982 1.00 0.00 C ATOM 671 CG LYS A 62 -3.448 -3.361 7.035 1.00 0.00 C ATOM 672 CD LYS A 62 -4.445 -2.336 6.514 1.00 0.00 C ATOM 673 CE LYS A 62 -5.200 -1.668 7.651 1.00 0.00 C ATOM 674 NZ LYS A 62 -6.433 -0.984 7.173 1.00 0.00 N ATOM 0 H LYS A 62 -1.313 -5.014 3.764 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.596 -5.837 6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.414 -3.585 6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.494 -3.018 5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.979 -4.262 7.342 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.950 -2.967 7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.920 -1.580 5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.152 -2.823 5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.466 -2.415 8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.550 -0.944 8.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.808 -0.376 7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.207 -0.402 6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.147 -1.695 6.915 1.00 0.00 H new ATOM 688 N VAL A 63 -4.900 -5.675 5.307 1.00 0.00 N ATOM 689 CA VAL A 63 -6.191 -5.841 4.650 1.00 0.00 C ATOM 690 C VAL A 63 -7.167 -4.752 5.083 1.00 0.00 C ATOM 691 O VAL A 63 -7.180 -4.341 6.243 1.00 0.00 O ATOM 692 CB VAL A 63 -6.808 -7.218 4.957 1.00 0.00 C ATOM 693 CG1 VAL A 63 -8.047 -7.450 4.116 1.00 0.00 C ATOM 694 CG2 VAL A 63 -5.784 -8.322 4.733 1.00 0.00 C ATOM 0 H VAL A 63 -4.904 -5.887 6.305 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.013 -5.765 3.577 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.105 -7.237 6.005 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.467 -8.429 4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.785 -6.678 4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.782 -7.411 3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.237 -9.289 4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.453 -8.306 3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.928 -8.163 5.389 1.00 0.00 H new ATOM 704 N LEU A 64 -7.981 -4.286 4.142 1.00 0.00 N ATOM 705 CA LEU A 64 -8.959 -3.243 4.426 1.00 0.00 C ATOM 706 C LEU A 64 -10.293 -3.848 4.851 1.00 0.00 C ATOM 707 O LEU A 64 -10.815 -4.749 4.194 1.00 0.00 O ATOM 708 CB LEU A 64 -9.157 -2.354 3.197 1.00 0.00 C ATOM 709 CG LEU A 64 -8.126 -1.235 3.034 1.00 0.00 C ATOM 710 CD1 LEU A 64 -8.052 -0.389 4.304 1.00 0.00 C ATOM 711 CD2 LEU A 64 -6.758 -1.814 2.700 1.00 0.00 C ATOM 0 H LEU A 64 -7.983 -4.614 3.176 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.578 -2.637 5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.134 -2.981 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.150 -1.908 3.246 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.440 -0.595 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.314 0.402 4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.028 0.054 4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.761 -1.019 5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.038 -1.004 2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.437 -2.476 3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.819 -2.377 1.769 1.00 0.00 H new ATOM 723 N SER A 65 -10.839 -3.346 5.953 1.00 0.00 N ATOM 724 CA SER A 65 -12.112 -3.836 6.467 1.00 0.00 C ATOM 725 C SER A 65 -13.063 -2.677 6.758 1.00 0.00 C ATOM 726 O SER A 65 -12.626 -1.560 7.037 1.00 0.00 O ATOM 727 CB SER A 65 -11.888 -4.661 7.744 1.00 0.00 C ATOM 728 OG SER A 65 -12.603 -5.883 7.683 1.00 0.00 O ATOM 0 H SER A 65 -10.420 -2.600 6.508 1.00 0.00 H new ATOM 0 HA SER A 65 -12.563 -4.472 5.705 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.824 -4.862 7.871 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.210 -4.089 8.614 1.00 0.00 H new ATOM 0 HG SER A 65 -12.447 -6.395 8.504 1.00 0.00 H new ATOM 734 N PRO A 66 -14.382 -2.928 6.697 1.00 0.00 N ATOM 735 CA PRO A 66 -15.395 -1.899 6.955 1.00 0.00 C ATOM 736 C PRO A 66 -15.408 -1.443 8.420 1.00 0.00 C ATOM 737 O PRO A 66 -16.031 -0.436 8.751 1.00 0.00 O ATOM 738 CB PRO A 66 -16.712 -2.595 6.601 1.00 0.00 C ATOM 739 CG PRO A 66 -16.430 -4.048 6.759 1.00 0.00 C ATOM 740 CD PRO A 66 -14.989 -4.232 6.373 1.00 0.00 C ATOM 0 HA PRO A 66 -15.207 -0.994 6.378 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.518 -2.275 7.261 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -17.022 -2.361 5.582 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.604 -4.370 7.786 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.084 -4.644 6.123 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.523 -5.043 6.933 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.883 -4.473 5.315 1.00 0.00 H new ATOM 748 N GLN A 67 -14.719 -2.188 9.271 1.00 0.00 N ATOM 749 CA GLN A 67 -14.655 -1.856 10.689 1.00 0.00 C ATOM 750 C GLN A 67 -13.211 -1.854 11.183 1.00 0.00 C ATOM 751 O GLN A 67 -12.945 -2.138 12.351 1.00 0.00 O ATOM 752 CB GLN A 67 -15.485 -2.849 11.505 1.00 0.00 C ATOM 753 CG GLN A 67 -15.962 -2.293 12.837 1.00 0.00 C ATOM 754 CD GLN A 67 -17.085 -3.112 13.442 1.00 0.00 C ATOM 755 OE1 GLN A 67 -17.315 -4.257 13.050 1.00 0.00 O ATOM 756 NE2 GLN A 67 -17.793 -2.529 14.402 1.00 0.00 N ATOM 0 H GLN A 67 -14.197 -3.024 9.007 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.066 -0.855 10.821 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -16.351 -3.155 10.918 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -14.890 -3.744 11.686 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.125 -2.261 13.534 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -16.300 -1.266 12.698 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.568 -1.579 14.696 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.562 -3.032 14.845 1.00 0.00 H new ATOM 765 N GLY A 68 -12.284 -1.531 10.287 1.00 0.00 N ATOM 766 CA GLY A 68 -10.879 -1.496 10.651 1.00 0.00 C ATOM 767 C GLY A 68 -10.385 -2.826 11.189 1.00 0.00 C ATOM 768 O GLY A 68 -11.157 -3.775 11.323 1.00 0.00 O ATOM 0 H GLY A 68 -12.481 -1.293 9.315 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.288 -1.218 9.778 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -10.721 -0.722 11.402 1.00 0.00 H new ATOM 772 N GLY A 69 -9.094 -2.894 11.499 1.00 0.00 N ATOM 773 CA GLY A 69 -8.520 -4.119 12.022 1.00 0.00 C ATOM 774 C GLY A 69 -7.209 -4.479 11.351 1.00 0.00 C ATOM 775 O GLY A 69 -7.189 -4.879 10.187 1.00 0.00 O ATOM 0 H GLY A 69 -8.435 -2.122 11.397 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.358 -4.011 13.094 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.230 -4.935 11.887 1.00 0.00 H new ATOM 779 N GLY A 70 -6.111 -4.340 12.087 1.00 0.00 N ATOM 780 CA GLY A 70 -4.806 -4.658 11.548 1.00 0.00 C ATOM 781 C GLY A 70 -3.682 -3.930 12.257 1.00 0.00 C ATOM 782 O GLY A 70 -3.844 -2.776 12.654 1.00 0.00 O ATOM 0 H GLY A 70 -6.105 -4.011 13.052 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.640 -5.733 11.622 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.785 -4.405 10.488 1.00 0.00 H new ATOM 786 N PRO A 71 -2.520 -4.583 12.439 1.00 0.00 N ATOM 787 CA PRO A 71 -1.372 -3.975 13.118 1.00 0.00 C ATOM 788 C PRO A 71 -0.655 -2.953 12.242 1.00 0.00 C ATOM 789 O PRO A 71 -0.149 -1.944 12.734 1.00 0.00 O ATOM 790 CB PRO A 71 -0.462 -5.169 13.401 1.00 0.00 C ATOM 791 CG PRO A 71 -0.773 -6.142 12.324 1.00 0.00 C ATOM 792 CD PRO A 71 -2.234 -5.964 12.001 1.00 0.00 C ATOM 0 HA PRO A 71 -1.668 -3.424 14.011 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.589 -4.880 13.382 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.658 -5.592 14.386 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.155 -5.959 11.445 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.569 -7.162 12.650 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.428 -6.095 10.937 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.853 -6.689 12.530 1.00 0.00 H new ATOM 800 N TRP A 72 -0.616 -3.222 10.942 1.00 0.00 N ATOM 801 CA TRP A 72 0.039 -2.328 9.994 1.00 0.00 C ATOM 802 C TRP A 72 -0.626 -0.952 9.989 1.00 0.00 C ATOM 803 O TRP A 72 -0.005 0.042 9.620 1.00 0.00 O ATOM 804 CB TRP A 72 0.004 -2.933 8.596 1.00 0.00 C ATOM 805 CG TRP A 72 0.636 -2.066 7.542 1.00 0.00 C ATOM 806 CD1 TRP A 72 1.958 -2.016 7.212 1.00 0.00 C ATOM 807 CD2 TRP A 72 -0.031 -1.123 6.704 1.00 0.00 C ATOM 808 NE1 TRP A 72 2.154 -1.101 6.197 1.00 0.00 N ATOM 809 CE2 TRP A 72 0.947 -0.539 5.869 1.00 0.00 C ATOM 810 CE3 TRP A 72 -1.361 -0.717 6.557 1.00 0.00 C ATOM 811 CZ2 TRP A 72 0.636 0.429 4.917 1.00 0.00 C ATOM 812 CZ3 TRP A 72 -1.668 0.245 5.613 1.00 0.00 C ATOM 813 CH2 TRP A 72 -0.674 0.808 4.803 1.00 0.00 C ATOM 0 H TRP A 72 -1.031 -4.053 10.520 1.00 0.00 H new ATOM 0 HA TRP A 72 1.077 -2.203 10.304 1.00 0.00 H new ATOM 0 HB2 TRP A 72 0.514 -3.896 8.614 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -1.033 -3.127 8.320 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.736 -2.605 7.676 1.00 0.00 H new ATOM 0 HE1 TRP A 72 3.050 -0.879 5.762 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.137 -1.149 7.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 1.401 0.865 4.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.692 0.568 5.498 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.947 1.556 4.074 1.00 0.00 H new ATOM 824 N ASP A 73 -1.888 -0.899 10.410 1.00 0.00 N ATOM 825 CA ASP A 73 -2.623 0.360 10.451 1.00 0.00 C ATOM 826 C ASP A 73 -1.900 1.377 11.327 1.00 0.00 C ATOM 827 O ASP A 73 -1.740 2.536 10.946 1.00 0.00 O ATOM 828 CB ASP A 73 -4.043 0.133 10.973 1.00 0.00 C ATOM 829 CG ASP A 73 -4.992 1.243 10.567 1.00 0.00 C ATOM 830 OD1 ASP A 73 -4.947 1.662 9.390 1.00 0.00 O ATOM 831 OD2 ASP A 73 -5.778 1.697 11.432 1.00 0.00 O ATOM 0 H ASP A 73 -2.420 -1.710 10.726 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.680 0.754 9.436 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.418 -0.818 10.596 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.020 0.058 12.060 1.00 0.00 H new ATOM 836 N SER A 74 -1.455 0.934 12.499 1.00 0.00 N ATOM 837 CA SER A 74 -0.738 1.808 13.419 1.00 0.00 C ATOM 838 C SER A 74 0.524 2.356 12.761 1.00 0.00 C ATOM 839 O SER A 74 1.032 3.410 13.152 1.00 0.00 O ATOM 840 CB SER A 74 -0.375 1.055 14.708 1.00 0.00 C ATOM 841 OG SER A 74 -0.372 1.924 15.819 1.00 0.00 O ATOM 0 H SER A 74 -1.578 -0.022 12.833 1.00 0.00 H new ATOM 0 HA SER A 74 -1.391 2.642 13.674 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.089 0.248 14.875 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.607 0.594 14.600 1.00 0.00 H new ATOM 0 HG SER A 74 -0.140 1.421 16.627 1.00 0.00 H new ATOM 847 N VAL A 75 1.021 1.631 11.772 1.00 0.00 N ATOM 848 CA VAL A 75 2.218 2.035 11.048 1.00 0.00 C ATOM 849 C VAL A 75 1.866 2.995 9.916 1.00 0.00 C ATOM 850 O VAL A 75 2.617 3.923 9.610 1.00 0.00 O ATOM 851 CB VAL A 75 2.955 0.813 10.464 1.00 0.00 C ATOM 852 CG1 VAL A 75 4.260 1.238 9.797 1.00 0.00 C ATOM 853 CG2 VAL A 75 3.209 -0.223 11.548 1.00 0.00 C ATOM 0 H VAL A 75 0.612 0.754 11.450 1.00 0.00 H new ATOM 0 HA VAL A 75 2.874 2.538 11.759 1.00 0.00 H new ATOM 0 HB VAL A 75 2.321 0.359 9.702 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.764 0.361 9.392 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.045 1.938 8.990 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.905 1.719 10.532 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.730 -1.079 11.119 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.821 0.217 12.335 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.258 -0.551 11.968 1.00 0.00 H new ATOM 863 N ALA A 76 0.717 2.762 9.282 1.00 0.00 N ATOM 864 CA ALA A 76 0.258 3.599 8.183 1.00 0.00 C ATOM 865 C ALA A 76 -1.264 3.640 8.123 1.00 0.00 C ATOM 866 O ALA A 76 -1.934 2.674 8.496 1.00 0.00 O ATOM 867 CB ALA A 76 0.821 3.089 6.876 1.00 0.00 C ATOM 0 H ALA A 76 0.087 1.995 9.515 1.00 0.00 H new ATOM 0 HA ALA A 76 0.615 4.615 8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.473 3.721 6.059 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.910 3.113 6.915 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.487 2.065 6.711 1.00 0.00 H new ATOM 873 N ARG A 77 -1.806 4.759 7.664 1.00 0.00 N ATOM 874 CA ARG A 77 -3.251 4.917 7.546 1.00 0.00 C ATOM 875 C ARG A 77 -3.637 5.427 6.161 1.00 0.00 C ATOM 876 O ARG A 77 -2.904 6.203 5.547 1.00 0.00 O ATOM 877 CB ARG A 77 -3.767 5.876 8.628 1.00 0.00 C ATOM 878 CG ARG A 77 -3.466 5.420 10.044 1.00 0.00 C ATOM 879 CD ARG A 77 -4.624 4.625 10.619 1.00 0.00 C ATOM 880 NE ARG A 77 -5.335 5.371 11.664 1.00 0.00 N ATOM 881 CZ ARG A 77 -6.578 5.098 12.045 1.00 0.00 C ATOM 882 NH1 ARG A 77 -7.250 4.095 11.493 1.00 0.00 N ATOM 883 NH2 ARG A 77 -7.151 5.830 12.991 1.00 0.00 N ATOM 0 H ARG A 77 -1.267 5.573 7.367 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.713 3.940 7.686 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.323 6.859 8.471 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.845 5.991 8.515 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.563 4.809 10.049 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.267 6.287 10.674 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.319 4.367 9.820 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.251 3.688 11.032 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.848 6.141 12.123 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.812 3.525 10.769 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.204 3.894 11.793 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.637 6.598 13.422 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.105 5.624 13.287 1.00 0.00 H new ATOM 897 N VAL A 78 -4.793 4.984 5.684 1.00 0.00 N ATOM 898 CA VAL A 78 -5.277 5.392 4.372 1.00 0.00 C ATOM 899 C VAL A 78 -6.081 6.687 4.454 1.00 0.00 C ATOM 900 O VAL A 78 -7.154 6.722 5.054 1.00 0.00 O ATOM 901 CB VAL A 78 -6.151 4.295 3.722 1.00 0.00 C ATOM 902 CG1 VAL A 78 -7.391 4.032 4.565 1.00 0.00 C ATOM 903 CG2 VAL A 78 -6.534 4.677 2.299 1.00 0.00 C ATOM 0 H VAL A 78 -5.411 4.345 6.184 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.395 5.556 3.752 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.567 3.376 3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.995 3.257 4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.091 3.702 5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.976 4.948 4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.149 3.889 1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.096 5.611 2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.632 4.805 1.701 1.00 0.00 H new ATOM 913 N LEU A 79 -5.550 7.749 3.855 1.00 0.00 N ATOM 914 CA LEU A 79 -6.217 9.046 3.869 1.00 0.00 C ATOM 915 C LEU A 79 -7.546 8.985 3.119 1.00 0.00 C ATOM 916 O LEU A 79 -7.687 8.239 2.149 1.00 0.00 O ATOM 917 CB LEU A 79 -5.312 10.114 3.256 1.00 0.00 C ATOM 918 CG LEU A 79 -4.623 11.041 4.254 1.00 0.00 C ATOM 919 CD1 LEU A 79 -3.150 11.201 3.915 1.00 0.00 C ATOM 920 CD2 LEU A 79 -5.313 12.397 4.290 1.00 0.00 C ATOM 0 H LEU A 79 -4.661 7.737 3.355 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.423 9.311 4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.547 9.618 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.906 10.721 2.573 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.698 10.590 5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.680 11.866 4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.662 10.227 3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.051 11.625 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.807 13.044 5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.273 12.852 3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.353 12.268 4.588 1.00 0.00 H new ATOM 932 N PRO A 80 -8.543 9.775 3.561 1.00 0.00 N ATOM 933 CA PRO A 80 -9.868 9.808 2.936 1.00 0.00 C ATOM 934 C PRO A 80 -9.795 10.059 1.432 1.00 0.00 C ATOM 935 O PRO A 80 -10.722 9.725 0.685 1.00 0.00 O ATOM 936 CB PRO A 80 -10.569 10.974 3.630 1.00 0.00 C ATOM 937 CG PRO A 80 -9.888 11.087 4.950 1.00 0.00 C ATOM 938 CD PRO A 80 -8.457 10.695 4.711 1.00 0.00 C ATOM 0 HA PRO A 80 -10.387 8.856 3.046 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -10.473 11.894 3.054 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.635 10.782 3.749 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.955 12.103 5.338 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.354 10.433 5.687 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.835 11.562 4.487 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.022 10.208 5.584 1.00 0.00 H new ATOM 946 N ASN A 81 -8.691 10.650 0.984 1.00 0.00 N ATOM 947 CA ASN A 81 -8.505 10.945 -0.425 1.00 0.00 C ATOM 948 C ASN A 81 -7.894 9.758 -1.170 1.00 0.00 C ATOM 949 O ASN A 81 -7.464 9.892 -2.324 1.00 0.00 O ATOM 950 CB ASN A 81 -7.621 12.178 -0.593 1.00 0.00 C ATOM 951 CG ASN A 81 -8.344 13.317 -1.287 1.00 0.00 C ATOM 952 OD1 ASN A 81 -7.832 13.903 -2.242 1.00 0.00 O ATOM 953 ND2 ASN A 81 -9.540 13.636 -0.816 1.00 0.00 N ATOM 0 H ASN A 81 -7.913 10.933 1.581 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.486 11.143 -0.856 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.278 12.512 0.386 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.734 11.910 -1.167 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.073 14.392 -1.246 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.929 13.126 -0.023 1.00 0.00 H new ATOM 960 N GLY A 82 -7.856 8.597 -0.519 1.00 0.00 N ATOM 961 CA GLY A 82 -7.294 7.416 -1.146 1.00 0.00 C ATOM 962 C GLY A 82 -5.780 7.459 -1.202 1.00 0.00 C ATOM 963 O GLY A 82 -5.176 7.044 -2.191 1.00 0.00 O ATOM 0 H GLY A 82 -8.204 8.455 0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.610 6.530 -0.595 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.690 7.321 -2.157 1.00 0.00 H new ATOM 967 N SER A 83 -5.165 7.961 -0.135 1.00 0.00 N ATOM 968 CA SER A 83 -3.712 8.056 -0.066 1.00 0.00 C ATOM 969 C SER A 83 -3.171 7.244 1.089 1.00 0.00 C ATOM 970 O SER A 83 -3.934 6.669 1.872 1.00 0.00 O ATOM 971 CB SER A 83 -3.283 9.518 0.053 1.00 0.00 C ATOM 972 OG SER A 83 -1.918 9.684 -0.275 1.00 0.00 O ATOM 0 H SER A 83 -5.650 8.308 0.692 1.00 0.00 H new ATOM 0 HA SER A 83 -3.297 7.645 -0.986 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.895 10.133 -0.607 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.460 9.869 1.070 1.00 0.00 H new ATOM 0 HG SER A 83 -1.627 8.943 -0.847 1.00 0.00 H new ATOM 978 N LEU A 84 -1.848 7.204 1.220 1.00 0.00 N ATOM 979 CA LEU A 84 -1.202 6.463 2.296 1.00 0.00 C ATOM 980 C LEU A 84 -0.023 7.248 2.860 1.00 0.00 C ATOM 981 O LEU A 84 0.800 7.772 2.103 1.00 0.00 O ATOM 982 CB LEU A 84 -0.726 5.099 1.785 1.00 0.00 C ATOM 983 CG LEU A 84 -0.868 3.954 2.800 1.00 0.00 C ATOM 984 CD1 LEU A 84 -1.971 2.996 2.365 1.00 0.00 C ATOM 985 CD2 LEU A 84 0.455 3.219 2.949 1.00 0.00 C ATOM 0 H LEU A 84 -1.201 7.679 0.591 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.930 6.312 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.290 4.844 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.321 5.180 1.492 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.141 4.373 3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.061 2.190 3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.917 3.535 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.726 2.578 1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.342 2.410 3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.753 2.807 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.219 3.913 3.298 1.00 0.00 H new ATOM 997 N PHE A 85 0.052 7.327 4.184 1.00 0.00 N ATOM 998 CA PHE A 85 1.131 8.051 4.839 1.00 0.00 C ATOM 999 C PHE A 85 1.682 7.254 6.018 1.00 0.00 C ATOM 1000 O PHE A 85 0.923 6.662 6.787 1.00 0.00 O ATOM 1001 CB PHE A 85 0.632 9.420 5.313 1.00 0.00 C ATOM 1002 CG PHE A 85 1.632 10.181 6.139 1.00 0.00 C ATOM 1003 CD1 PHE A 85 2.912 10.414 5.668 1.00 0.00 C ATOM 1004 CD2 PHE A 85 1.292 10.663 7.393 1.00 0.00 C ATOM 1005 CE1 PHE A 85 3.833 11.114 6.417 1.00 0.00 C ATOM 1006 CE2 PHE A 85 2.209 11.363 8.154 1.00 0.00 C ATOM 1007 CZ PHE A 85 3.481 11.589 7.666 1.00 0.00 C ATOM 0 H PHE A 85 -0.620 6.900 4.821 1.00 0.00 H new ATOM 0 HA PHE A 85 1.936 8.195 4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.363 10.019 4.443 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.277 9.282 5.898 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.195 10.040 4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.299 10.490 7.780 1.00 0.00 H new ATOM 0 HE1 PHE A 85 4.826 11.291 6.030 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.931 11.733 9.130 1.00 0.00 H new ATOM 0 HZ PHE A 85 4.199 12.136 8.259 1.00 0.00 H new ATOM 1017 N LEU A 86 3.005 7.248 6.159 1.00 0.00 N ATOM 1018 CA LEU A 86 3.653 6.528 7.249 1.00 0.00 C ATOM 1019 C LEU A 86 4.666 7.423 7.963 1.00 0.00 C ATOM 1020 O LEU A 86 5.564 7.979 7.331 1.00 0.00 O ATOM 1021 CB LEU A 86 4.351 5.274 6.717 1.00 0.00 C ATOM 1022 CG LEU A 86 3.564 4.493 5.672 1.00 0.00 C ATOM 1023 CD1 LEU A 86 3.745 5.120 4.289 1.00 0.00 C ATOM 1024 CD2 LEU A 86 3.997 3.034 5.649 1.00 0.00 C ATOM 0 H LEU A 86 3.647 7.733 5.533 1.00 0.00 H new ATOM 0 HA LEU A 86 2.885 6.232 7.964 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.309 5.565 6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.567 4.613 7.556 1.00 0.00 H new ATOM 0 HG LEU A 86 2.508 4.534 5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.176 4.550 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.387 6.149 4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.801 5.108 4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.422 2.496 4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.058 2.973 5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.821 2.587 6.627 1.00 0.00 H new ATOM 1036 N PRO A 87 4.539 7.577 9.294 1.00 0.00 N ATOM 1037 CA PRO A 87 5.455 8.412 10.081 1.00 0.00 C ATOM 1038 C PRO A 87 6.914 8.018 9.877 1.00 0.00 C ATOM 1039 O PRO A 87 7.721 8.814 9.404 1.00 0.00 O ATOM 1040 CB PRO A 87 5.028 8.151 11.536 1.00 0.00 C ATOM 1041 CG PRO A 87 3.610 7.708 11.440 1.00 0.00 C ATOM 1042 CD PRO A 87 3.501 6.954 10.137 1.00 0.00 C ATOM 0 HA PRO A 87 5.397 9.461 9.791 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.651 7.387 12.001 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.121 9.051 12.144 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.341 7.072 12.283 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.932 8.561 11.456 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.681 5.888 10.274 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.510 7.056 9.695 1.00 0.00 H new ATOM 1050 N ALA A 88 7.244 6.785 10.252 1.00 0.00 N ATOM 1051 CA ALA A 88 8.604 6.282 10.108 1.00 0.00 C ATOM 1052 C ALA A 88 8.671 5.186 9.041 1.00 0.00 C ATOM 1053 O ALA A 88 8.601 3.999 9.357 1.00 0.00 O ATOM 1054 CB ALA A 88 9.119 5.762 11.434 1.00 0.00 C ATOM 0 H ALA A 88 6.588 6.118 10.657 1.00 0.00 H new ATOM 0 HA ALA A 88 9.239 7.108 9.787 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.136 5.390 11.309 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.115 6.568 12.167 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.477 4.953 11.782 1.00 0.00 H new ATOM 1060 N VAL A 89 8.807 5.594 7.792 1.00 0.00 N ATOM 1061 CA VAL A 89 8.883 4.647 6.678 1.00 0.00 C ATOM 1062 C VAL A 89 10.233 3.940 6.657 1.00 0.00 C ATOM 1063 O VAL A 89 11.265 4.564 6.419 1.00 0.00 O ATOM 1064 CB VAL A 89 8.661 5.341 5.321 1.00 0.00 C ATOM 1065 CG1 VAL A 89 8.494 4.309 4.224 1.00 0.00 C ATOM 1066 CG2 VAL A 89 7.455 6.270 5.381 1.00 0.00 C ATOM 0 H VAL A 89 8.868 6.574 7.517 1.00 0.00 H new ATOM 0 HA VAL A 89 8.088 3.917 6.832 1.00 0.00 H new ATOM 0 HB VAL A 89 9.539 5.946 5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.338 4.814 3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.391 3.692 4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.633 3.678 4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.317 6.750 4.412 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.564 5.694 5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.620 7.032 6.143 1.00 0.00 H new ATOM 1076 N GLY A 90 10.218 2.634 6.905 1.00 0.00 N ATOM 1077 CA GLY A 90 11.449 1.868 6.911 1.00 0.00 C ATOM 1078 C GLY A 90 11.241 0.426 6.496 1.00 0.00 C ATOM 1079 O GLY A 90 10.744 0.157 5.395 1.00 0.00 O ATOM 0 H GLY A 90 9.376 2.094 7.102 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.167 2.336 6.237 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.885 1.895 7.910 1.00 0.00 H new ATOM 1083 N ILE A 91 11.627 -0.504 7.358 1.00 0.00 N ATOM 1084 CA ILE A 91 11.484 -1.926 7.080 1.00 0.00 C ATOM 1085 C ILE A 91 10.028 -2.298 6.803 1.00 0.00 C ATOM 1086 O ILE A 91 9.747 -3.266 6.104 1.00 0.00 O ATOM 1087 CB ILE A 91 12.016 -2.790 8.233 1.00 0.00 C ATOM 1088 CG1 ILE A 91 11.266 -2.466 9.527 1.00 0.00 C ATOM 1089 CG2 ILE A 91 13.512 -2.574 8.410 1.00 0.00 C ATOM 1090 CD1 ILE A 91 10.264 -3.527 9.927 1.00 0.00 C ATOM 0 H ILE A 91 12.046 -0.296 8.265 1.00 0.00 H new ATOM 0 HA ILE A 91 12.079 -2.126 6.189 1.00 0.00 H new ATOM 0 HB ILE A 91 11.848 -3.839 7.991 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.988 -2.337 10.333 1.00 0.00 H new ATOM 0 HG13 ILE A 91 10.748 -1.515 9.408 1.00 0.00 H new ATOM 0 HG21 ILE A 91 13.874 -3.193 9.231 1.00 0.00 H new ATOM 0 HG22 ILE A 91 14.031 -2.849 7.492 1.00 0.00 H new ATOM 0 HG23 ILE A 91 13.704 -1.525 8.635 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.770 -3.231 10.853 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.520 -3.640 9.139 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.779 -4.476 10.078 1.00 0.00 H new ATOM 1102 N GLN A 92 9.107 -1.527 7.380 1.00 0.00 N ATOM 1103 CA GLN A 92 7.681 -1.783 7.200 1.00 0.00 C ATOM 1104 C GLN A 92 7.204 -1.347 5.807 1.00 0.00 C ATOM 1105 O GLN A 92 6.056 -1.596 5.434 1.00 0.00 O ATOM 1106 CB GLN A 92 6.874 -1.056 8.270 1.00 0.00 C ATOM 1107 CG GLN A 92 7.358 -1.335 9.692 1.00 0.00 C ATOM 1108 CD GLN A 92 8.169 -0.189 10.258 1.00 0.00 C ATOM 1109 OE1 GLN A 92 8.548 0.738 9.543 1.00 0.00 O ATOM 1110 NE2 GLN A 92 8.441 -0.250 11.564 1.00 0.00 N ATOM 0 H GLN A 92 9.322 -0.725 7.972 1.00 0.00 H new ATOM 0 HA GLN A 92 7.524 -2.858 7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 92 6.920 0.017 8.083 1.00 0.00 H new ATOM 0 HB3 GLN A 92 5.827 -1.349 8.187 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.499 -1.522 10.336 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.963 -2.242 9.696 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.106 -1.038 12.118 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.984 0.491 12.007 1.00 0.00 H new ATOM 1119 N ASP A 93 8.081 -0.696 5.047 1.00 0.00 N ATOM 1120 CA ASP A 93 7.731 -0.231 3.709 1.00 0.00 C ATOM 1121 C ASP A 93 8.500 -0.998 2.635 1.00 0.00 C ATOM 1122 O ASP A 93 8.104 -1.009 1.470 1.00 0.00 O ATOM 1123 CB ASP A 93 8.011 1.267 3.579 1.00 0.00 C ATOM 1124 CG ASP A 93 6.945 1.984 2.780 1.00 0.00 C ATOM 1125 OD1 ASP A 93 5.776 1.993 3.211 1.00 0.00 O ATOM 1126 OD2 ASP A 93 7.281 2.538 1.712 1.00 0.00 O ATOM 0 H ASP A 93 9.036 -0.479 5.334 1.00 0.00 H new ATOM 0 HA ASP A 93 6.667 -0.413 3.561 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.076 1.710 4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.980 1.413 3.101 1.00 0.00 H new ATOM 1131 N GLU A 94 9.600 -1.636 3.036 1.00 0.00 N ATOM 1132 CA GLU A 94 10.415 -2.397 2.086 1.00 0.00 C ATOM 1133 C GLU A 94 9.580 -3.450 1.372 1.00 0.00 C ATOM 1134 O GLU A 94 8.422 -3.684 1.709 1.00 0.00 O ATOM 1135 CB GLU A 94 11.580 -3.072 2.820 1.00 0.00 C ATOM 1136 CG GLU A 94 12.506 -2.097 3.518 1.00 0.00 C ATOM 1137 CD GLU A 94 13.713 -2.781 4.136 1.00 0.00 C ATOM 1138 OE1 GLU A 94 13.549 -3.471 5.164 1.00 0.00 O ATOM 1139 OE2 GLU A 94 14.823 -2.629 3.584 1.00 0.00 O ATOM 0 H GLU A 94 9.944 -1.643 3.996 1.00 0.00 H new ATOM 0 HA GLU A 94 10.806 -1.704 1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.179 -3.769 3.556 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.157 -3.659 2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.844 -1.347 2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.954 -1.570 4.296 1.00 0.00 H new ATOM 1146 N GLY A 95 10.178 -4.080 0.368 1.00 0.00 N ATOM 1147 CA GLY A 95 9.479 -5.103 -0.381 1.00 0.00 C ATOM 1148 C GLY A 95 8.679 -4.530 -1.534 1.00 0.00 C ATOM 1149 O GLY A 95 8.900 -3.393 -1.949 1.00 0.00 O ATOM 0 H GLY A 95 11.134 -3.900 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.200 -5.824 -0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.810 -5.646 0.287 1.00 0.00 H new ATOM 1153 N ILE A 96 7.747 -5.323 -2.053 1.00 0.00 N ATOM 1154 CA ILE A 96 6.909 -4.892 -3.165 1.00 0.00 C ATOM 1155 C ILE A 96 5.508 -4.526 -2.687 1.00 0.00 C ATOM 1156 O ILE A 96 4.846 -5.315 -2.020 1.00 0.00 O ATOM 1157 CB ILE A 96 6.802 -5.987 -4.252 1.00 0.00 C ATOM 1158 CG1 ILE A 96 8.192 -6.508 -4.620 1.00 0.00 C ATOM 1159 CG2 ILE A 96 6.087 -5.450 -5.475 1.00 0.00 C ATOM 1160 CD1 ILE A 96 8.657 -7.656 -3.741 1.00 0.00 C ATOM 0 H ILE A 96 7.553 -6.268 -1.721 1.00 0.00 H new ATOM 0 HA ILE A 96 7.385 -4.011 -3.596 1.00 0.00 H new ATOM 0 HB ILE A 96 6.219 -6.818 -3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.186 -6.835 -5.660 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.909 -5.691 -4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.020 -6.233 -6.230 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.084 -5.127 -5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.642 -4.603 -5.878 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.650 -7.977 -4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.695 -7.327 -2.703 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.960 -8.489 -3.832 1.00 0.00 H new ATOM 1172 N PHE A 97 5.064 -3.324 -3.037 1.00 0.00 N ATOM 1173 CA PHE A 97 3.742 -2.851 -2.642 1.00 0.00 C ATOM 1174 C PHE A 97 2.797 -2.810 -3.838 1.00 0.00 C ATOM 1175 O PHE A 97 3.099 -2.196 -4.861 1.00 0.00 O ATOM 1176 CB PHE A 97 3.843 -1.461 -2.010 1.00 0.00 C ATOM 1177 CG PHE A 97 4.191 -1.488 -0.547 1.00 0.00 C ATOM 1178 CD1 PHE A 97 5.190 -2.323 -0.073 1.00 0.00 C ATOM 1179 CD2 PHE A 97 3.518 -0.676 0.344 1.00 0.00 C ATOM 1180 CE1 PHE A 97 5.510 -2.349 1.255 1.00 0.00 C ATOM 1181 CE2 PHE A 97 3.835 -0.697 1.682 1.00 0.00 C ATOM 1182 CZ PHE A 97 4.832 -1.534 2.141 1.00 0.00 C ATOM 0 H PHE A 97 5.600 -2.659 -3.594 1.00 0.00 H new ATOM 0 HA PHE A 97 3.339 -3.549 -1.908 1.00 0.00 H new ATOM 0 HB2 PHE A 97 4.597 -0.883 -2.544 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.893 -0.942 -2.139 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.723 -2.962 -0.762 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.737 -0.020 -0.012 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.291 -3.005 1.611 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.304 -0.059 2.373 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.082 -1.552 3.192 1.00 0.00 H new ATOM 1192 N ARG A 98 1.649 -3.467 -3.702 1.00 0.00 N ATOM 1193 CA ARG A 98 0.657 -3.505 -4.771 1.00 0.00 C ATOM 1194 C ARG A 98 -0.698 -3.013 -4.280 1.00 0.00 C ATOM 1195 O ARG A 98 -1.077 -3.259 -3.126 1.00 0.00 O ATOM 1196 CB ARG A 98 0.525 -4.924 -5.325 1.00 0.00 C ATOM 1197 CG ARG A 98 -0.420 -5.029 -6.510 1.00 0.00 C ATOM 1198 CD ARG A 98 -0.860 -6.465 -6.746 1.00 0.00 C ATOM 1199 NE ARG A 98 0.276 -7.381 -6.817 1.00 0.00 N ATOM 1200 CZ ARG A 98 0.204 -8.616 -7.311 1.00 0.00 C ATOM 1201 NH1 ARG A 98 -0.947 -9.085 -7.778 1.00 0.00 N ATOM 1202 NH2 ARG A 98 1.286 -9.381 -7.348 1.00 0.00 N ATOM 0 H ARG A 98 1.383 -3.980 -2.862 1.00 0.00 H new ATOM 0 HA ARG A 98 0.997 -2.841 -5.566 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.510 -5.281 -5.624 1.00 0.00 H new ATOM 0 HB3 ARG A 98 0.174 -5.584 -4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.295 -4.403 -6.335 1.00 0.00 H new ATOM 0 HG3 ARG A 98 0.072 -4.646 -7.404 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.527 -6.776 -5.942 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -1.430 -6.522 -7.673 1.00 0.00 H new ATOM 0 HE ARG A 98 1.177 -7.056 -6.468 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.782 -8.499 -7.760 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.997 -10.031 -8.155 1.00 0.00 H new ATOM 0 HH21 ARG A 98 2.175 -9.024 -6.998 1.00 0.00 H new ATOM 0 HH22 ARG A 98 1.229 -10.326 -7.727 1.00 0.00 H new ATOM 1216 N CYS A 99 -1.425 -2.316 -5.148 1.00 0.00 N ATOM 1217 CA CYS A 99 -2.739 -1.789 -4.789 1.00 0.00 C ATOM 1218 C CYS A 99 -3.841 -2.509 -5.559 1.00 0.00 C ATOM 1219 O CYS A 99 -3.610 -3.035 -6.656 1.00 0.00 O ATOM 1220 CB CYS A 99 -2.799 -0.287 -5.070 1.00 0.00 C ATOM 1221 SG CYS A 99 -1.900 0.732 -3.857 1.00 0.00 S ATOM 0 H CYS A 99 -1.129 -2.103 -6.101 1.00 0.00 H new ATOM 0 HA CYS A 99 -2.896 -1.959 -3.724 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -2.390 -0.097 -6.062 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -3.843 0.027 -5.090 1.00 0.00 H new ATOM 1226 N GLN A 100 -5.039 -2.529 -4.992 1.00 0.00 N ATOM 1227 CA GLN A 100 -6.180 -3.185 -5.613 1.00 0.00 C ATOM 1228 C GLN A 100 -7.492 -2.619 -5.077 1.00 0.00 C ATOM 1229 O GLN A 100 -7.786 -2.730 -3.887 1.00 0.00 O ATOM 1230 CB GLN A 100 -6.125 -4.694 -5.370 1.00 0.00 C ATOM 1231 CG GLN A 100 -6.608 -5.518 -6.560 1.00 0.00 C ATOM 1232 CD GLN A 100 -6.400 -7.006 -6.350 1.00 0.00 C ATOM 1233 OE1 GLN A 100 -7.260 -7.697 -5.802 1.00 0.00 O ATOM 1234 NE2 GLN A 100 -5.252 -7.508 -6.790 1.00 0.00 N ATOM 0 H GLN A 100 -5.246 -2.093 -4.093 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.135 -2.996 -6.686 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.100 -4.979 -5.132 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -6.733 -4.937 -4.499 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.667 -5.321 -6.730 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.077 -5.202 -7.458 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.568 -6.899 -7.238 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.055 -8.503 -6.680 1.00 0.00 H new ATOM 1243 N ALA A 101 -8.276 -2.013 -5.962 1.00 0.00 N ATOM 1244 CA ALA A 101 -9.555 -1.431 -5.577 1.00 0.00 C ATOM 1245 C ALA A 101 -10.713 -2.170 -6.241 1.00 0.00 C ATOM 1246 O ALA A 101 -10.846 -2.159 -7.472 1.00 0.00 O ATOM 1247 CB ALA A 101 -9.593 0.046 -5.938 1.00 0.00 C ATOM 0 H ALA A 101 -8.047 -1.912 -6.951 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.663 -1.532 -4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -10.554 0.468 -5.645 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.792 0.569 -5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -9.459 0.161 -7.014 1.00 0.00 H new ATOM 1253 N MET A 102 -11.545 -2.810 -5.426 1.00 0.00 N ATOM 1254 CA MET A 102 -12.689 -3.555 -5.937 1.00 0.00 C ATOM 1255 C MET A 102 -13.868 -2.628 -6.214 1.00 0.00 C ATOM 1256 O MET A 102 -14.403 -1.997 -5.302 1.00 0.00 O ATOM 1257 CB MET A 102 -13.103 -4.641 -4.948 1.00 0.00 C ATOM 1258 CG MET A 102 -13.783 -5.835 -5.589 1.00 0.00 C ATOM 1259 SD MET A 102 -12.689 -7.261 -5.752 1.00 0.00 S ATOM 1260 CE MET A 102 -12.982 -7.728 -7.456 1.00 0.00 C ATOM 0 H MET A 102 -11.449 -2.828 -4.411 1.00 0.00 H new ATOM 0 HA MET A 102 -12.391 -4.023 -6.875 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.219 -4.985 -4.411 1.00 0.00 H new ATOM 0 HB3 MET A 102 -13.776 -4.207 -4.209 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.651 -6.116 -4.993 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.151 -5.551 -6.575 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.374 -8.598 -7.705 1.00 0.00 H new ATOM 0 HE2 MET A 102 -14.036 -7.972 -7.590 1.00 0.00 H new ATOM 0 HE3 MET A 102 -12.715 -6.899 -8.112 1.00 0.00 H new ATOM 1270 N ASN A 103 -14.267 -2.550 -7.479 1.00 0.00 N ATOM 1271 CA ASN A 103 -15.383 -1.701 -7.879 1.00 0.00 C ATOM 1272 C ASN A 103 -16.699 -2.471 -7.819 1.00 0.00 C ATOM 1273 O ASN A 103 -16.727 -3.644 -7.450 1.00 0.00 O ATOM 1274 CB ASN A 103 -15.158 -1.163 -9.293 1.00 0.00 C ATOM 1275 CG ASN A 103 -15.697 0.244 -9.469 1.00 0.00 C ATOM 1276 OD1 ASN A 103 -16.878 0.501 -9.242 1.00 0.00 O ATOM 1277 ND2 ASN A 103 -14.828 1.163 -9.875 1.00 0.00 N ATOM 0 H ASN A 103 -13.834 -3.065 -8.245 1.00 0.00 H new ATOM 0 HA ASN A 103 -15.440 -0.864 -7.183 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -14.091 -1.171 -9.516 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -15.639 -1.826 -10.012 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -15.131 2.127 -10.010 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -13.857 0.904 -10.051 1.00 0.00 H new ATOM 1284 N ARG A 104 -17.787 -1.801 -8.185 1.00 0.00 N ATOM 1285 CA ARG A 104 -19.107 -2.421 -8.173 1.00 0.00 C ATOM 1286 C ARG A 104 -19.198 -3.530 -9.218 1.00 0.00 C ATOM 1287 O ARG A 104 -19.924 -4.507 -9.039 1.00 0.00 O ATOM 1288 CB ARG A 104 -20.189 -1.370 -8.429 1.00 0.00 C ATOM 1289 CG ARG A 104 -20.921 -0.931 -7.171 1.00 0.00 C ATOM 1290 CD ARG A 104 -21.727 0.337 -7.405 1.00 0.00 C ATOM 1291 NE ARG A 104 -21.357 1.401 -6.474 1.00 0.00 N ATOM 1292 CZ ARG A 104 -22.123 2.458 -6.220 1.00 0.00 C ATOM 1293 NH1 ARG A 104 -23.301 2.598 -6.809 1.00 0.00 N ATOM 1294 NH2 ARG A 104 -21.710 3.379 -5.360 1.00 0.00 N ATOM 0 H ARG A 104 -17.781 -0.829 -8.494 1.00 0.00 H new ATOM 0 HA ARG A 104 -19.265 -2.862 -7.189 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -19.733 -0.498 -8.897 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -20.912 -1.771 -9.139 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -21.585 -1.729 -6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -20.201 -0.762 -6.371 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -21.573 0.681 -8.428 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -22.789 0.116 -7.299 1.00 0.00 H new ATOM 0 HE ARG A 104 -20.461 1.329 -5.992 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -23.630 1.890 -7.466 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -23.879 3.413 -6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -20.808 3.275 -4.896 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -22.295 4.191 -5.163 1.00 0.00 H new ATOM 1308 N ASN A 105 -18.457 -3.371 -10.309 1.00 0.00 N ATOM 1309 CA ASN A 105 -18.455 -4.359 -11.383 1.00 0.00 C ATOM 1310 C ASN A 105 -17.422 -5.456 -11.129 1.00 0.00 C ATOM 1311 O ASN A 105 -17.433 -6.493 -11.791 1.00 0.00 O ATOM 1312 CB ASN A 105 -18.175 -3.681 -12.725 1.00 0.00 C ATOM 1313 CG ASN A 105 -16.873 -2.906 -12.722 1.00 0.00 C ATOM 1314 OD1 ASN A 105 -16.741 -1.893 -12.044 1.00 0.00 O ATOM 1315 ND2 ASN A 105 -15.901 -3.380 -13.493 1.00 0.00 N ATOM 0 H ASN A 105 -17.850 -2.568 -10.474 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.441 -4.822 -11.411 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -18.143 -4.436 -13.510 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.996 -3.005 -12.966 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -15.003 -2.898 -13.536 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -16.052 -4.227 -14.042 1.00 0.00 H new ATOM 1322 N GLY A 106 -16.528 -5.222 -10.171 1.00 0.00 N ATOM 1323 CA GLY A 106 -15.505 -6.204 -9.859 1.00 0.00 C ATOM 1324 C GLY A 106 -14.230 -5.978 -10.647 1.00 0.00 C ATOM 1325 O GLY A 106 -13.818 -6.829 -11.433 1.00 0.00 O ATOM 0 H GLY A 106 -16.494 -4.373 -9.607 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -15.282 -6.166 -8.793 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.887 -7.203 -10.070 1.00 0.00 H new ATOM 1329 N LYS A 107 -13.606 -4.824 -10.444 1.00 0.00 N ATOM 1330 CA LYS A 107 -12.372 -4.481 -11.133 1.00 0.00 C ATOM 1331 C LYS A 107 -11.232 -4.257 -10.143 1.00 0.00 C ATOM 1332 O LYS A 107 -11.463 -3.989 -8.965 1.00 0.00 O ATOM 1333 CB LYS A 107 -12.580 -3.227 -11.987 1.00 0.00 C ATOM 1334 CG LYS A 107 -11.307 -2.698 -12.629 1.00 0.00 C ATOM 1335 CD LYS A 107 -11.577 -1.450 -13.451 1.00 0.00 C ATOM 1336 CE LYS A 107 -10.349 -0.560 -13.540 1.00 0.00 C ATOM 1337 NZ LYS A 107 -10.612 0.680 -14.315 1.00 0.00 N ATOM 0 H LYS A 107 -13.940 -4.105 -9.802 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.100 -5.316 -11.779 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -13.304 -3.449 -12.770 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -13.014 -2.444 -11.365 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -10.574 -2.474 -11.855 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -10.872 -3.468 -13.266 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -11.893 -1.736 -14.454 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -12.400 -0.891 -13.005 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.020 -0.296 -12.535 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -9.534 -1.113 -14.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -9.748 1.257 -14.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.901 0.430 -15.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.372 1.222 -13.856 1.00 0.00 H new ATOM 1351 N GLU A 108 -10.002 -4.365 -10.634 1.00 0.00 N ATOM 1352 CA GLU A 108 -8.822 -4.169 -9.801 1.00 0.00 C ATOM 1353 C GLU A 108 -7.866 -3.174 -10.453 1.00 0.00 C ATOM 1354 O GLU A 108 -7.796 -3.083 -11.678 1.00 0.00 O ATOM 1355 CB GLU A 108 -8.109 -5.501 -9.565 1.00 0.00 C ATOM 1356 CG GLU A 108 -7.885 -6.304 -10.844 1.00 0.00 C ATOM 1357 CD GLU A 108 -7.253 -7.656 -10.567 1.00 0.00 C ATOM 1358 OE1 GLU A 108 -7.838 -8.441 -9.793 1.00 0.00 O ATOM 1359 OE2 GLU A 108 -6.173 -7.930 -11.133 1.00 0.00 O ATOM 0 H GLU A 108 -9.796 -4.588 -11.608 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.144 -3.767 -8.840 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -7.146 -5.310 -9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.695 -6.099 -8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -8.838 -6.447 -11.353 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -7.245 -5.737 -11.520 1.00 0.00 H new ATOM 1366 N THR A 109 -7.134 -2.429 -9.631 1.00 0.00 N ATOM 1367 CA THR A 109 -6.188 -1.444 -10.143 1.00 0.00 C ATOM 1368 C THR A 109 -4.774 -2.015 -10.185 1.00 0.00 C ATOM 1369 O THR A 109 -4.200 -2.362 -9.153 1.00 0.00 O ATOM 1370 CB THR A 109 -6.221 -0.176 -9.286 1.00 0.00 C ATOM 1371 OG1 THR A 109 -5.417 0.838 -9.862 1.00 0.00 O ATOM 1372 CG2 THR A 109 -5.739 -0.394 -7.876 1.00 0.00 C ATOM 0 H THR A 109 -7.177 -2.488 -8.614 1.00 0.00 H new ATOM 0 HA THR A 109 -6.484 -1.189 -11.161 1.00 0.00 H new ATOM 0 HB THR A 109 -7.269 0.121 -9.251 1.00 0.00 H new ATOM 0 HG1 THR A 109 -5.452 1.641 -9.301 1.00 0.00 H new ATOM 0 HG21 THR A 109 -5.789 0.545 -7.325 1.00 0.00 H new ATOM 0 HG22 THR A 109 -6.370 -1.136 -7.386 1.00 0.00 H new ATOM 0 HG23 THR A 109 -4.709 -0.749 -7.895 1.00 0.00 H new ATOM 1380 N LYS A 110 -4.218 -2.111 -11.389 1.00 0.00 N ATOM 1381 CA LYS A 110 -2.871 -2.641 -11.570 1.00 0.00 C ATOM 1382 C LYS A 110 -1.823 -1.598 -11.204 1.00 0.00 C ATOM 1383 O LYS A 110 -1.670 -0.586 -11.888 1.00 0.00 O ATOM 1384 CB LYS A 110 -2.668 -3.090 -13.019 1.00 0.00 C ATOM 1385 CG LYS A 110 -1.855 -4.367 -13.160 1.00 0.00 C ATOM 1386 CD LYS A 110 -0.398 -4.144 -12.778 1.00 0.00 C ATOM 1387 CE LYS A 110 -0.093 -4.672 -11.385 1.00 0.00 C ATOM 1388 NZ LYS A 110 -0.116 -6.159 -11.344 1.00 0.00 N ATOM 0 H LYS A 110 -4.680 -1.829 -12.254 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.754 -3.499 -10.908 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.643 -3.239 -13.483 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.171 -2.292 -13.570 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.283 -5.144 -12.527 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.912 -4.725 -14.188 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.248 -4.638 -13.504 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.170 -3.079 -12.821 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.886 -4.314 -11.066 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.823 -4.277 -10.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.381 -6.491 -10.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.101 -6.490 -11.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.356 -6.537 -12.190 1.00 0.00 H new ATOM 1402 N SER A 111 -1.104 -1.851 -10.107 1.00 0.00 N ATOM 1403 CA SER A 111 -0.070 -0.931 -9.645 1.00 0.00 C ATOM 1404 C SER A 111 0.885 -1.623 -8.678 1.00 0.00 C ATOM 1405 O SER A 111 0.523 -1.926 -7.541 1.00 0.00 O ATOM 1406 CB SER A 111 -0.706 0.284 -8.969 1.00 0.00 C ATOM 1407 OG SER A 111 -1.967 -0.042 -8.410 1.00 0.00 O ATOM 0 H SER A 111 -1.221 -2.682 -9.527 1.00 0.00 H new ATOM 0 HA SER A 111 0.500 -0.600 -10.513 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.044 0.656 -8.187 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.824 1.087 -9.696 1.00 0.00 H new ATOM 0 HG SER A 111 -2.421 0.779 -8.125 1.00 0.00 H new ATOM 1413 N ASN A 112 2.109 -1.866 -9.138 1.00 0.00 N ATOM 1414 CA ASN A 112 3.121 -2.518 -8.315 1.00 0.00 C ATOM 1415 C ASN A 112 4.354 -1.631 -8.178 1.00 0.00 C ATOM 1416 O ASN A 112 5.000 -1.291 -9.169 1.00 0.00 O ATOM 1417 CB ASN A 112 3.509 -3.869 -8.921 1.00 0.00 C ATOM 1418 CG ASN A 112 3.529 -4.978 -7.896 1.00 0.00 C ATOM 1419 OD1 ASN A 112 3.450 -4.726 -6.685 1.00 0.00 O ATOM 1420 ND2 ASN A 112 3.637 -6.218 -8.353 1.00 0.00 N ATOM 0 H ASN A 112 2.423 -1.621 -10.077 1.00 0.00 H new ATOM 0 HA ASN A 112 2.702 -2.685 -7.323 1.00 0.00 H new ATOM 0 HB2 ASN A 112 2.805 -4.124 -9.713 1.00 0.00 H new ATOM 0 HB3 ASN A 112 4.493 -3.787 -9.383 1.00 0.00 H new ATOM 0 HD21 ASN A 112 3.657 -7.002 -7.701 1.00 0.00 H new ATOM 0 HD22 ASN A 112 3.700 -6.388 -9.357 1.00 0.00 H new ATOM 1427 N TYR A 113 4.671 -1.251 -6.946 1.00 0.00 N ATOM 1428 CA TYR A 113 5.822 -0.394 -6.685 1.00 0.00 C ATOM 1429 C TYR A 113 6.772 -1.036 -5.679 1.00 0.00 C ATOM 1430 O TYR A 113 6.389 -1.333 -4.556 1.00 0.00 O ATOM 1431 CB TYR A 113 5.357 0.969 -6.167 1.00 0.00 C ATOM 1432 CG TYR A 113 4.675 1.815 -7.218 1.00 0.00 C ATOM 1433 CD1 TYR A 113 3.534 1.361 -7.869 1.00 0.00 C ATOM 1434 CD2 TYR A 113 5.171 3.067 -7.559 1.00 0.00 C ATOM 1435 CE1 TYR A 113 2.909 2.130 -8.831 1.00 0.00 C ATOM 1436 CE2 TYR A 113 4.550 3.842 -8.521 1.00 0.00 C ATOM 1437 CZ TYR A 113 3.419 3.369 -9.153 1.00 0.00 C ATOM 1438 OH TYR A 113 2.797 4.138 -10.111 1.00 0.00 O ATOM 0 H TYR A 113 4.148 -1.522 -6.113 1.00 0.00 H new ATOM 0 HA TYR A 113 6.360 -0.259 -7.623 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.671 0.817 -5.334 1.00 0.00 H new ATOM 0 HB3 TYR A 113 6.217 1.513 -5.777 1.00 0.00 H new ATOM 0 HD1 TYR A 113 3.130 0.391 -7.619 1.00 0.00 H new ATOM 0 HD2 TYR A 113 6.056 3.441 -7.065 1.00 0.00 H new ATOM 0 HE1 TYR A 113 2.024 1.762 -9.329 1.00 0.00 H new ATOM 0 HE2 TYR A 113 4.949 4.813 -8.776 1.00 0.00 H new ATOM 0 HH TYR A 113 3.282 4.983 -10.218 1.00 0.00 H new ATOM 1448 N ARG A 114 8.018 -1.239 -6.108 1.00 0.00 N ATOM 1449 CA ARG A 114 9.030 -1.837 -5.238 1.00 0.00 C ATOM 1450 C ARG A 114 9.770 -0.757 -4.464 1.00 0.00 C ATOM 1451 O ARG A 114 10.414 0.114 -5.041 1.00 0.00 O ATOM 1452 CB ARG A 114 10.021 -2.653 -6.069 1.00 0.00 C ATOM 1453 CG ARG A 114 10.670 -3.791 -5.298 1.00 0.00 C ATOM 1454 CD ARG A 114 12.031 -3.389 -4.754 1.00 0.00 C ATOM 1455 NE ARG A 114 12.722 -4.512 -4.126 1.00 0.00 N ATOM 1456 CZ ARG A 114 14.031 -4.537 -3.885 1.00 0.00 C ATOM 1457 NH1 ARG A 114 14.794 -3.502 -4.217 1.00 0.00 N ATOM 1458 NH2 ARG A 114 14.578 -5.598 -3.310 1.00 0.00 N ATOM 0 H ARG A 114 8.348 -1.001 -7.043 1.00 0.00 H new ATOM 0 HA ARG A 114 8.531 -2.497 -4.528 1.00 0.00 H new ATOM 0 HB2 ARG A 114 9.504 -3.062 -6.937 1.00 0.00 H new ATOM 0 HB3 ARG A 114 10.800 -1.989 -6.445 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.022 -4.090 -4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 114 10.779 -4.658 -5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 114 12.643 -2.994 -5.565 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.908 -2.586 -4.027 1.00 0.00 H new ATOM 0 HE ARG A 114 12.169 -5.325 -3.856 1.00 0.00 H new ATOM 0 HH11 ARG A 114 14.378 -2.682 -4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 114 15.796 -3.527 -4.030 1.00 0.00 H new ATOM 0 HH21 ARG A 114 13.996 -6.395 -3.052 1.00 0.00 H new ATOM 0 HH22 ARG A 114 15.581 -5.618 -3.125 1.00 0.00 H new ATOM 1472 N VAL A 115 9.669 -0.814 -3.140 1.00 0.00 N ATOM 1473 CA VAL A 115 10.323 0.168 -2.284 1.00 0.00 C ATOM 1474 C VAL A 115 11.389 -0.475 -1.404 1.00 0.00 C ATOM 1475 O VAL A 115 11.161 -1.521 -0.786 1.00 0.00 O ATOM 1476 CB VAL A 115 9.306 0.896 -1.375 1.00 0.00 C ATOM 1477 CG1 VAL A 115 9.974 2.048 -0.639 1.00 0.00 C ATOM 1478 CG2 VAL A 115 8.121 1.390 -2.200 1.00 0.00 C ATOM 0 H VAL A 115 9.142 -1.528 -2.638 1.00 0.00 H new ATOM 0 HA VAL A 115 10.794 0.890 -2.952 1.00 0.00 H new ATOM 0 HB VAL A 115 8.936 0.191 -0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.242 2.548 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.786 1.663 -0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.373 2.759 -1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.412 1.901 -1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.474 2.081 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.630 0.541 -2.676 1.00 0.00 H new ATOM 1488 N ARG A 116 12.552 0.164 -1.333 1.00 0.00 N ATOM 1489 CA ARG A 116 13.660 -0.329 -0.523 1.00 0.00 C ATOM 1490 C ARG A 116 14.224 0.794 0.325 1.00 0.00 C ATOM 1491 O ARG A 116 14.287 1.946 -0.089 1.00 0.00 O ATOM 1492 CB ARG A 116 14.759 -0.908 -1.424 1.00 0.00 C ATOM 1493 CG ARG A 116 15.932 -1.486 -0.648 1.00 0.00 C ATOM 1494 CD ARG A 116 15.502 -2.650 0.223 1.00 0.00 C ATOM 1495 NE ARG A 116 16.089 -3.914 -0.198 1.00 0.00 N ATOM 1496 CZ ARG A 116 15.917 -5.071 0.422 1.00 0.00 C ATOM 1497 NH1 ARG A 116 15.176 -5.127 1.522 1.00 0.00 N ATOM 1498 NH2 ARG A 116 16.487 -6.174 -0.027 1.00 0.00 N ATOM 0 H ARG A 116 12.752 1.031 -1.831 1.00 0.00 H new ATOM 0 HA ARG A 116 13.291 -1.118 0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 116 14.330 -1.687 -2.054 1.00 0.00 H new ATOM 0 HB3 ARG A 116 15.123 -0.125 -2.089 1.00 0.00 H new ATOM 0 HG2 ARG A 116 16.703 -1.816 -1.344 1.00 0.00 H new ATOM 0 HG3 ARG A 116 16.376 -0.709 -0.026 1.00 0.00 H new ATOM 0 HD2 ARG A 116 15.785 -2.449 1.256 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.415 -2.733 0.200 1.00 0.00 H new ATOM 0 HE ARG A 116 16.676 -3.908 -1.032 1.00 0.00 H new ATOM 0 HH11 ARG A 116 14.741 -4.280 1.887 1.00 0.00 H new ATOM 0 HH12 ARG A 116 15.042 -6.017 2.002 1.00 0.00 H new ATOM 0 HH21 ARG A 116 17.070 -6.143 -0.863 1.00 0.00 H new ATOM 0 HH22 ARG A 116 16.344 -7.057 0.462 1.00 0.00 H new ATOM 1512 N VAL A 117 14.626 0.459 1.547 1.00 0.00 N ATOM 1513 CA VAL A 117 15.174 1.453 2.462 1.00 0.00 C ATOM 1514 C VAL A 117 16.699 1.485 2.402 1.00 0.00 C ATOM 1515 O VAL A 117 17.336 0.509 2.006 1.00 0.00 O ATOM 1516 CB VAL A 117 14.723 1.192 3.914 1.00 0.00 C ATOM 1517 CG1 VAL A 117 13.209 1.067 3.996 1.00 0.00 C ATOM 1518 CG2 VAL A 117 15.397 -0.052 4.479 1.00 0.00 C ATOM 0 H VAL A 117 14.583 -0.488 1.925 1.00 0.00 H new ATOM 0 HA VAL A 117 14.788 2.421 2.142 1.00 0.00 H new ATOM 0 HB VAL A 117 15.028 2.046 4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 117 12.915 0.883 5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 117 12.748 1.991 3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 117 12.878 0.237 3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 117 15.062 -0.214 5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 117 15.133 -0.917 3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 117 16.479 0.083 4.468 1.00 0.00 H new ATOM 1528 N TYR A 118 17.275 2.615 2.798 1.00 0.00 N ATOM 1529 CA TYR A 118 18.724 2.780 2.790 1.00 0.00 C ATOM 1530 C TYR A 118 19.398 1.725 3.661 1.00 0.00 C ATOM 1531 O TYR A 118 20.001 0.779 3.154 1.00 0.00 O ATOM 1532 CB TYR A 118 19.100 4.180 3.288 1.00 0.00 C ATOM 1533 CG TYR A 118 19.302 5.179 2.162 1.00 0.00 C ATOM 1534 CD1 TYR A 118 18.217 5.746 1.507 1.00 0.00 C ATOM 1535 CD2 TYR A 118 20.579 5.555 1.763 1.00 0.00 C ATOM 1536 CE1 TYR A 118 18.397 6.659 0.485 1.00 0.00 C ATOM 1537 CE2 TYR A 118 20.767 6.467 0.742 1.00 0.00 C ATOM 1538 CZ TYR A 118 19.673 7.016 0.106 1.00 0.00 C ATOM 1539 OH TYR A 118 19.857 7.925 -0.895 1.00 0.00 O ATOM 0 H TYR A 118 16.760 3.431 3.129 1.00 0.00 H new ATOM 0 HA TYR A 118 19.072 2.657 1.765 1.00 0.00 H new ATOM 0 HB2 TYR A 118 18.317 4.545 3.953 1.00 0.00 H new ATOM 0 HB3 TYR A 118 20.015 4.116 3.877 1.00 0.00 H new ATOM 0 HD1 TYR A 118 17.215 5.469 1.801 1.00 0.00 H new ATOM 0 HD2 TYR A 118 21.438 5.128 2.259 1.00 0.00 H new ATOM 0 HE1 TYR A 118 17.542 7.090 -0.014 1.00 0.00 H new ATOM 0 HE2 TYR A 118 21.766 6.749 0.443 1.00 0.00 H new ATOM 0 HH TYR A 118 20.816 8.065 -1.037 1.00 0.00 H new ATOM 1549 N GLN A 119 19.294 1.893 4.984 1.00 0.00 N ATOM 1550 CA GLN A 119 19.895 0.953 5.924 1.00 0.00 C ATOM 1551 C GLN A 119 18.831 0.074 6.565 1.00 0.00 C ATOM 1552 O GLN A 119 17.751 0.547 6.918 1.00 0.00 O ATOM 1553 CB GLN A 119 20.675 1.710 6.994 1.00 0.00 C ATOM 1554 CG GLN A 119 21.998 2.275 6.503 1.00 0.00 C ATOM 1555 CD GLN A 119 23.127 1.268 6.588 1.00 0.00 C ATOM 1556 OE1 GLN A 119 23.422 0.729 7.646 1.00 0.00 O ATOM 1557 NE2 GLN A 119 23.766 1.007 5.445 1.00 0.00 N ATOM 0 H GLN A 119 18.800 2.670 5.423 1.00 0.00 H new ATOM 0 HA GLN A 119 20.582 0.308 5.376 1.00 0.00 H new ATOM 0 HB2 GLN A 119 20.059 2.527 7.370 1.00 0.00 H new ATOM 0 HB3 GLN A 119 20.865 1.041 7.833 1.00 0.00 H new ATOM 0 HG2 GLN A 119 21.887 2.605 5.470 1.00 0.00 H new ATOM 0 HG3 GLN A 119 22.255 3.155 7.093 1.00 0.00 H new ATOM 0 HE21 GLN A 119 23.487 1.480 4.585 1.00 0.00 H new ATOM 0 HE22 GLN A 119 24.533 0.335 5.432 1.00 0.00 H new ATOM 1566 N ILE A 120 19.146 -1.208 6.728 1.00 0.00 N ATOM 1567 CA ILE A 120 18.218 -2.157 7.327 1.00 0.00 C ATOM 1568 C ILE A 120 18.785 -2.726 8.626 1.00 0.00 C ATOM 1569 O ILE A 120 19.999 -2.860 8.777 1.00 0.00 O ATOM 1570 CB ILE A 120 17.877 -3.324 6.374 1.00 0.00 C ATOM 1571 CG1 ILE A 120 18.969 -3.492 5.315 1.00 0.00 C ATOM 1572 CG2 ILE A 120 16.526 -3.092 5.715 1.00 0.00 C ATOM 1573 CD1 ILE A 120 18.708 -4.625 4.346 1.00 0.00 C ATOM 0 H ILE A 120 20.041 -1.613 6.452 1.00 0.00 H new ATOM 0 HA ILE A 120 17.302 -1.603 7.534 1.00 0.00 H new ATOM 0 HB ILE A 120 17.824 -4.242 6.959 1.00 0.00 H new ATOM 0 HG12 ILE A 120 19.066 -2.562 4.755 1.00 0.00 H new ATOM 0 HG13 ILE A 120 19.923 -3.665 5.814 1.00 0.00 H new ATOM 0 HG21 ILE A 120 16.300 -3.923 5.046 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.754 -3.023 6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 120 16.554 -2.164 5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 120 19.524 -4.683 3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 120 18.641 -5.565 4.894 1.00 0.00 H new ATOM 0 HD13 ILE A 120 17.771 -4.445 3.819 1.00 0.00 H new ATOM 1585 N PRO A 121 17.908 -3.071 9.585 1.00 0.00 N ATOM 1586 CA PRO A 121 18.327 -3.628 10.875 1.00 0.00 C ATOM 1587 C PRO A 121 18.879 -5.043 10.741 1.00 0.00 C ATOM 1588 O PRO A 121 18.391 -5.788 9.866 1.00 0.00 O ATOM 1589 CB PRO A 121 17.037 -3.634 11.697 1.00 0.00 C ATOM 1590 CG PRO A 121 15.945 -3.703 10.687 1.00 0.00 C ATOM 1591 CD PRO A 121 16.442 -2.944 9.487 1.00 0.00 C ATOM 1592 OXT PRO A 121 19.796 -5.395 11.513 1.00 0.00 O ATOM 0 HA PRO A 121 19.132 -3.049 11.327 1.00 0.00 H new ATOM 0 HB2 PRO A 121 17.004 -4.487 12.375 1.00 0.00 H new ATOM 0 HB3 PRO A 121 16.954 -2.736 12.310 1.00 0.00 H new ATOM 0 HG2 PRO A 121 15.718 -4.737 10.428 1.00 0.00 H new ATOM 0 HG3 PRO A 121 15.027 -3.262 11.075 1.00 0.00 H new ATOM 0 HD2 PRO A 121 16.063 -3.369 8.558 1.00 0.00 H new ATOM 0 HD3 PRO A 121 16.126 -1.901 9.512 1.00 0.00 H new TER 1600 PRO A 121