USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 671 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 4 THR OG1 : rot -140:sc= -0.437 USER MOD Set 1.2: A 37 ASN :FLIP amide:sc= -0.575 F(o=-2.1,f=-1) USER MOD Set 1.3: A 40 GLN :FLIP amide:sc= -0.0303 F(o=-1.7,f=-1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.0807) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.79 K(o=0.79,f=-6.7!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0992 USER MOD Single : A 44 HIS :FLIP no HD1:sc= 0.0507 F(o=-1.3,f=0.051) USER MOD Single : A 45 SER OG : rot 27:sc= 1.18 USER MOD Single : A 47 LYS NZ :NH3+ -159:sc= -2.92! (180deg=-2.95!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0.606 K(o=0.61,f=-0.0029) USER MOD Single : A 56 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.0081) USER MOD Single : A 59 TYR OH : rot -130:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -2.9! C(o=-2.9!,f=-7.3!) USER MOD Single : A 73 THR OG1 : rot 39:sc= 0.355 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0.833 K(o=0.83,f=-0.0019) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -140:sc= -1.03 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.401 19.837 3.292 1.00 0.00 N ATOM 2 CA MET A 1 -27.736 18.931 4.257 1.00 0.00 C ATOM 3 C MET A 1 -26.463 19.483 4.937 1.00 0.00 C ATOM 4 O MET A 1 -25.779 20.353 4.401 1.00 0.00 O ATOM 5 CB MET A 1 -27.438 17.576 3.604 1.00 0.00 C ATOM 6 CG MET A 1 -28.720 16.762 3.394 1.00 0.00 C ATOM 7 SD MET A 1 -28.410 15.102 2.692 1.00 0.00 S ATOM 8 CE MET A 1 -30.075 14.475 2.659 1.00 0.00 C ATOM 0 H1 MET A 1 -29.333 19.451 3.039 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.521 20.776 3.723 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.817 19.921 2.436 1.00 0.00 H new ATOM 0 HA MET A 1 -28.459 18.823 5.066 1.00 0.00 H new ATOM 0 HB2 MET A 1 -26.944 17.733 2.645 1.00 0.00 H new ATOM 0 HB3 MET A 1 -26.746 17.013 4.230 1.00 0.00 H new ATOM 0 HG2 MET A 1 -29.236 16.656 4.348 1.00 0.00 H new ATOM 0 HG3 MET A 1 -29.387 17.312 2.730 1.00 0.00 H new ATOM 0 HE1 MET A 1 -30.075 13.462 2.255 1.00 0.00 H new ATOM 0 HE2 MET A 1 -30.479 14.462 3.671 1.00 0.00 H new ATOM 0 HE3 MET A 1 -30.693 15.116 2.030 1.00 0.00 H new ATOM 20 N GLY A 2 -26.203 18.945 6.139 1.00 0.00 N ATOM 21 CA GLY A 2 -25.069 19.366 6.989 1.00 0.00 C ATOM 22 C GLY A 2 -24.057 18.235 7.218 1.00 0.00 C ATOM 23 O GLY A 2 -22.911 18.299 6.782 1.00 0.00 O ATOM 0 H GLY A 2 -26.771 18.205 6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -24.564 20.212 6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -25.448 19.711 7.951 1.00 0.00 H new ATOM 27 N VAL A 3 -24.480 17.275 8.035 1.00 0.00 N ATOM 28 CA VAL A 3 -23.680 16.081 8.391 1.00 0.00 C ATOM 29 C VAL A 3 -23.268 15.195 7.202 1.00 0.00 C ATOM 30 O VAL A 3 -24.046 14.949 6.283 1.00 0.00 O ATOM 31 CB VAL A 3 -24.372 15.216 9.466 1.00 0.00 C ATOM 32 CG1 VAL A 3 -24.379 15.930 10.819 1.00 0.00 C ATOM 33 CG2 VAL A 3 -25.797 14.786 9.084 1.00 0.00 C ATOM 0 H VAL A 3 -25.398 17.294 8.480 1.00 0.00 H new ATOM 0 HA VAL A 3 -22.759 16.502 8.795 1.00 0.00 H new ATOM 0 HB VAL A 3 -23.781 14.303 9.540 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -24.872 15.301 11.560 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -23.354 16.125 11.133 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -24.917 16.874 10.729 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -26.222 14.181 9.885 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -26.415 15.671 8.930 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -25.766 14.201 8.165 1.00 0.00 H new ATOM 43 N THR A 4 -21.988 14.829 7.229 1.00 0.00 N ATOM 44 CA THR A 4 -21.404 13.746 6.397 1.00 0.00 C ATOM 45 C THR A 4 -22.049 12.364 6.643 1.00 0.00 C ATOM 46 O THR A 4 -22.214 11.549 5.736 1.00 0.00 O ATOM 47 CB THR A 4 -19.867 13.682 6.579 1.00 0.00 C ATOM 48 OG1 THR A 4 -19.336 12.545 5.896 1.00 0.00 O ATOM 49 CG2 THR A 4 -19.390 13.665 8.039 1.00 0.00 C ATOM 0 H THR A 4 -21.303 15.278 7.838 1.00 0.00 H new ATOM 0 HA THR A 4 -21.629 14.002 5.362 1.00 0.00 H new ATOM 0 HB THR A 4 -19.491 14.610 6.149 1.00 0.00 H new ATOM 0 HG1 THR A 4 -18.634 12.134 6.442 1.00 0.00 H new ATOM 0 HG21 THR A 4 -18.301 13.619 8.066 1.00 0.00 H new ATOM 0 HG22 THR A 4 -19.728 14.571 8.543 1.00 0.00 H new ATOM 0 HG23 THR A 4 -19.802 12.793 8.546 1.00 0.00 H new ATOM 57 N GLU A 5 -22.375 12.115 7.909 1.00 0.00 N ATOM 58 CA GLU A 5 -23.005 10.866 8.377 1.00 0.00 C ATOM 59 C GLU A 5 -24.467 10.704 7.911 1.00 0.00 C ATOM 60 O GLU A 5 -25.111 11.675 7.522 1.00 0.00 O ATOM 61 CB GLU A 5 -22.822 10.781 9.899 1.00 0.00 C ATOM 62 CG GLU A 5 -23.631 11.764 10.760 1.00 0.00 C ATOM 63 CD GLU A 5 -25.073 11.318 11.046 1.00 0.00 C ATOM 64 OE1 GLU A 5 -25.326 10.093 11.076 1.00 0.00 O ATOM 65 OE2 GLU A 5 -25.906 12.236 11.206 1.00 0.00 O ATOM 0 H GLU A 5 -22.208 12.785 8.660 1.00 0.00 H new ATOM 0 HA GLU A 5 -22.507 10.014 7.915 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -23.076 9.769 10.214 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -21.765 10.928 10.121 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -23.113 11.909 11.708 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -23.655 12.732 10.259 1.00 0.00 H new ATOM 72 N ALA A 6 -24.982 9.484 8.071 1.00 0.00 N ATOM 73 CA ALA A 6 -26.330 9.032 7.638 1.00 0.00 C ATOM 74 C ALA A 6 -26.638 9.076 6.124 1.00 0.00 C ATOM 75 O ALA A 6 -27.777 8.883 5.707 1.00 0.00 O ATOM 76 CB ALA A 6 -27.426 9.734 8.458 1.00 0.00 C ATOM 0 H ALA A 6 -24.455 8.739 8.527 1.00 0.00 H new ATOM 0 HA ALA A 6 -26.324 7.963 7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -28.406 9.390 8.126 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -27.297 9.498 9.514 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -27.353 10.812 8.315 1.00 0.00 H new ATOM 82 N GLN A 7 -25.567 9.003 5.332 1.00 0.00 N ATOM 83 CA GLN A 7 -25.581 8.918 3.850 1.00 0.00 C ATOM 84 C GLN A 7 -26.559 7.901 3.206 1.00 0.00 C ATOM 85 O GLN A 7 -27.056 8.154 2.110 1.00 0.00 O ATOM 86 CB GLN A 7 -24.133 8.625 3.417 1.00 0.00 C ATOM 87 CG GLN A 7 -23.885 8.590 1.901 1.00 0.00 C ATOM 88 CD GLN A 7 -24.067 9.951 1.221 1.00 0.00 C ATOM 89 OE1 GLN A 7 -23.518 10.969 1.611 1.00 0.00 O ATOM 90 NE2 GLN A 7 -24.822 9.976 0.146 1.00 0.00 N ATOM 0 H GLN A 7 -24.620 9.001 5.711 1.00 0.00 H new ATOM 0 HA GLN A 7 -25.967 9.870 3.486 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -23.482 9.381 3.856 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -23.835 7.665 3.838 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -22.873 8.232 1.715 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -24.566 7.871 1.446 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -25.279 9.123 -0.176 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -24.951 10.849 -0.366 1.00 0.00 H new ATOM 99 N TYR A 8 -26.788 6.775 3.890 1.00 0.00 N ATOM 100 CA TYR A 8 -27.575 5.609 3.409 1.00 0.00 C ATOM 101 C TYR A 8 -27.512 4.446 4.421 1.00 0.00 C ATOM 102 O TYR A 8 -28.485 4.167 5.110 1.00 0.00 O ATOM 103 CB TYR A 8 -27.150 5.131 2.004 1.00 0.00 C ATOM 104 CG TYR A 8 -27.936 3.938 1.434 1.00 0.00 C ATOM 105 CD1 TYR A 8 -29.269 3.701 1.761 1.00 0.00 C ATOM 106 CD2 TYR A 8 -27.277 3.055 0.586 1.00 0.00 C ATOM 107 CE1 TYR A 8 -29.925 2.584 1.264 1.00 0.00 C ATOM 108 CE2 TYR A 8 -27.932 1.941 0.081 1.00 0.00 C ATOM 109 CZ TYR A 8 -29.256 1.702 0.427 1.00 0.00 C ATOM 110 OH TYR A 8 -29.888 0.581 -0.004 1.00 0.00 O ATOM 0 H TYR A 8 -26.421 6.634 4.831 1.00 0.00 H new ATOM 0 HA TYR A 8 -28.607 5.950 3.324 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -27.246 5.968 1.312 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -26.094 4.863 2.037 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -29.795 4.390 2.405 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -26.247 3.238 0.318 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -30.956 2.401 1.528 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -27.414 1.261 -0.579 1.00 0.00 H new ATOM 0 HH TYR A 8 -29.286 0.068 -0.583 1.00 0.00 H new ATOM 120 N VAL A 9 -26.328 3.835 4.509 1.00 0.00 N ATOM 121 CA VAL A 9 -25.971 2.705 5.407 1.00 0.00 C ATOM 122 C VAL A 9 -26.800 1.432 5.107 1.00 0.00 C ATOM 123 O VAL A 9 -27.843 1.189 5.706 1.00 0.00 O ATOM 124 CB VAL A 9 -26.063 3.050 6.917 1.00 0.00 C ATOM 125 CG1 VAL A 9 -25.274 2.033 7.751 1.00 0.00 C ATOM 126 CG2 VAL A 9 -25.617 4.470 7.296 1.00 0.00 C ATOM 0 H VAL A 9 -25.540 4.122 3.928 1.00 0.00 H new ATOM 0 HA VAL A 9 -24.923 2.504 5.187 1.00 0.00 H new ATOM 0 HB VAL A 9 -27.128 3.002 7.142 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -25.350 2.291 8.807 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -25.683 1.036 7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -24.227 2.048 7.448 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -25.720 4.609 8.372 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.575 4.613 7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -26.239 5.198 6.775 1.00 0.00 H new ATOM 136 N ALA A 10 -26.282 0.612 4.193 1.00 0.00 N ATOM 137 CA ALA A 10 -26.860 -0.719 3.902 1.00 0.00 C ATOM 138 C ALA A 10 -25.860 -1.864 4.196 1.00 0.00 C ATOM 139 O ALA A 10 -25.021 -2.177 3.348 1.00 0.00 O ATOM 140 CB ALA A 10 -27.365 -0.757 2.455 1.00 0.00 C ATOM 0 H ALA A 10 -25.459 0.839 3.634 1.00 0.00 H new ATOM 0 HA ALA A 10 -27.707 -0.881 4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -27.790 -1.738 2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -28.130 0.007 2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -26.535 -0.567 1.775 1.00 0.00 H new ATOM 146 N PRO A 11 -25.847 -2.378 5.436 1.00 0.00 N ATOM 147 CA PRO A 11 -24.922 -3.454 5.858 1.00 0.00 C ATOM 148 C PRO A 11 -25.200 -4.796 5.165 1.00 0.00 C ATOM 149 O PRO A 11 -26.287 -5.026 4.642 1.00 0.00 O ATOM 150 CB PRO A 11 -25.083 -3.535 7.377 1.00 0.00 C ATOM 151 CG PRO A 11 -26.522 -3.080 7.610 1.00 0.00 C ATOM 152 CD PRO A 11 -26.726 -1.988 6.558 1.00 0.00 C ATOM 0 HA PRO A 11 -23.896 -3.229 5.569 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -24.918 -4.548 7.744 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -24.370 -2.890 7.891 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -27.228 -3.900 7.480 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -26.663 -2.696 8.620 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -27.768 -1.931 6.243 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -26.457 -1.007 6.949 1.00 0.00 H new ATOM 160 N THR A 12 -24.136 -5.584 5.040 1.00 0.00 N ATOM 161 CA THR A 12 -24.211 -6.923 4.408 1.00 0.00 C ATOM 162 C THR A 12 -23.967 -8.032 5.450 1.00 0.00 C ATOM 163 O THR A 12 -24.912 -8.512 6.068 1.00 0.00 O ATOM 164 CB THR A 12 -23.226 -7.059 3.231 1.00 0.00 C ATOM 165 OG1 THR A 12 -23.006 -5.797 2.592 1.00 0.00 O ATOM 166 CG2 THR A 12 -23.740 -8.076 2.208 1.00 0.00 C ATOM 0 H THR A 12 -23.203 -5.329 5.365 1.00 0.00 H new ATOM 0 HA THR A 12 -25.218 -7.036 4.006 1.00 0.00 H new ATOM 0 HB THR A 12 -22.278 -7.412 3.636 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.376 -5.911 1.850 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.029 -8.156 1.386 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.852 -9.049 2.687 1.00 0.00 H new ATOM 0 HG23 THR A 12 -24.705 -7.748 1.822 1.00 0.00 H new ATOM 174 N ASN A 13 -22.699 -8.361 5.697 1.00 0.00 N ATOM 175 CA ASN A 13 -22.309 -9.420 6.653 1.00 0.00 C ATOM 176 C ASN A 13 -21.668 -8.820 7.922 1.00 0.00 C ATOM 177 O ASN A 13 -21.482 -7.605 8.019 1.00 0.00 O ATOM 178 CB ASN A 13 -21.364 -10.408 5.943 1.00 0.00 C ATOM 179 CG ASN A 13 -19.936 -9.903 5.676 1.00 0.00 C ATOM 180 OD1 ASN A 13 -19.604 -8.732 5.803 1.00 0.00 O ATOM 181 ND2 ASN A 13 -19.028 -10.823 5.449 1.00 0.00 N ATOM 0 H ASN A 13 -21.906 -7.906 5.244 1.00 0.00 H new ATOM 0 HA ASN A 13 -23.197 -9.958 6.984 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -21.301 -11.315 6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.813 -10.688 4.990 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -18.044 -10.562 5.378 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -19.306 -11.799 5.343 1.00 0.00 H new ATOM 188 N ALA A 14 -21.226 -9.713 8.811 1.00 0.00 N ATOM 189 CA ALA A 14 -20.485 -9.359 10.040 1.00 0.00 C ATOM 190 C ALA A 14 -19.337 -8.365 9.789 1.00 0.00 C ATOM 191 O ALA A 14 -19.469 -7.215 10.194 1.00 0.00 O ATOM 192 CB ALA A 14 -19.962 -10.632 10.715 1.00 0.00 C ATOM 0 H ALA A 14 -21.371 -10.717 8.703 1.00 0.00 H new ATOM 0 HA ALA A 14 -21.186 -8.852 10.703 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -19.416 -10.366 11.620 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -20.801 -11.278 10.974 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.296 -11.159 10.032 1.00 0.00 H new ATOM 198 N VAL A 15 -18.447 -8.699 8.851 1.00 0.00 N ATOM 199 CA VAL A 15 -17.278 -7.861 8.481 1.00 0.00 C ATOM 200 C VAL A 15 -17.716 -6.444 8.051 1.00 0.00 C ATOM 201 O VAL A 15 -17.367 -5.476 8.726 1.00 0.00 O ATOM 202 CB VAL A 15 -16.423 -8.561 7.400 1.00 0.00 C ATOM 203 CG1 VAL A 15 -15.191 -7.739 6.999 1.00 0.00 C ATOM 204 CG2 VAL A 15 -15.940 -9.932 7.885 1.00 0.00 C ATOM 0 H VAL A 15 -18.508 -9.565 8.315 1.00 0.00 H new ATOM 0 HA VAL A 15 -16.651 -7.740 9.364 1.00 0.00 H new ATOM 0 HB VAL A 15 -17.073 -8.669 6.532 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.627 -8.277 6.237 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.510 -6.776 6.601 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.560 -7.579 7.873 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -15.341 -10.403 7.106 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.335 -9.808 8.783 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -16.800 -10.562 8.112 1.00 0.00 H new ATOM 214 N GLU A 16 -18.652 -6.384 7.101 1.00 0.00 N ATOM 215 CA GLU A 16 -19.263 -5.128 6.610 1.00 0.00 C ATOM 216 C GLU A 16 -19.803 -4.252 7.757 1.00 0.00 C ATOM 217 O GLU A 16 -19.228 -3.205 8.048 1.00 0.00 O ATOM 218 CB GLU A 16 -20.405 -5.433 5.629 1.00 0.00 C ATOM 219 CG GLU A 16 -19.954 -5.918 4.245 1.00 0.00 C ATOM 220 CD GLU A 16 -19.470 -4.826 3.279 1.00 0.00 C ATOM 221 OE1 GLU A 16 -19.758 -3.634 3.527 1.00 0.00 O ATOM 222 OE2 GLU A 16 -18.842 -5.226 2.276 1.00 0.00 O ATOM 0 H GLU A 16 -19.019 -7.216 6.638 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.473 -4.573 6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -21.052 -6.191 6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.008 -4.533 5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.149 -6.641 4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.784 -6.448 3.778 1.00 0.00 H new ATOM 229 N SER A 17 -20.741 -4.815 8.520 1.00 0.00 N ATOM 230 CA SER A 17 -21.444 -4.111 9.613 1.00 0.00 C ATOM 231 C SER A 17 -20.525 -3.735 10.790 1.00 0.00 C ATOM 232 O SER A 17 -20.355 -2.555 11.086 1.00 0.00 O ATOM 233 CB SER A 17 -22.619 -4.964 10.110 1.00 0.00 C ATOM 234 OG SER A 17 -23.394 -4.222 11.054 1.00 0.00 O ATOM 0 H SER A 17 -21.043 -5.782 8.402 1.00 0.00 H new ATOM 0 HA SER A 17 -21.810 -3.172 9.197 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.244 -5.263 9.269 1.00 0.00 H new ATOM 0 HB3 SER A 17 -22.246 -5.879 10.571 1.00 0.00 H new ATOM 0 HG SER A 17 -24.143 -4.771 11.366 1.00 0.00 H new ATOM 240 N LYS A 18 -19.768 -4.718 11.275 1.00 0.00 N ATOM 241 CA LYS A 18 -18.862 -4.589 12.432 1.00 0.00 C ATOM 242 C LYS A 18 -17.722 -3.591 12.164 1.00 0.00 C ATOM 243 O LYS A 18 -17.555 -2.640 12.927 1.00 0.00 O ATOM 244 CB LYS A 18 -18.334 -5.986 12.768 1.00 0.00 C ATOM 245 CG LYS A 18 -17.709 -6.113 14.157 1.00 0.00 C ATOM 246 CD LYS A 18 -17.536 -7.598 14.473 1.00 0.00 C ATOM 247 CE LYS A 18 -16.978 -7.827 15.877 1.00 0.00 C ATOM 248 NZ LYS A 18 -17.008 -9.259 16.211 1.00 0.00 N ATOM 0 H LYS A 18 -19.762 -5.654 10.869 1.00 0.00 H new ATOM 0 HA LYS A 18 -19.406 -4.183 13.285 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -19.154 -6.699 12.686 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.591 -6.268 12.022 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.746 -5.604 14.188 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.345 -5.638 14.904 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -18.498 -8.102 14.379 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.867 -8.048 13.740 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.955 -7.455 15.934 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.563 -7.265 16.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.626 -9.400 17.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -17.989 -9.603 16.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.431 -9.787 15.526 1.00 0.00 H new ATOM 262 N LEU A 19 -17.077 -3.706 11.003 1.00 0.00 N ATOM 263 CA LEU A 19 -16.053 -2.729 10.584 1.00 0.00 C ATOM 264 C LEU A 19 -16.621 -1.333 10.296 1.00 0.00 C ATOM 265 O LEU A 19 -16.033 -0.360 10.753 1.00 0.00 O ATOM 266 CB LEU A 19 -15.182 -3.226 9.422 1.00 0.00 C ATOM 267 CG LEU A 19 -13.953 -4.078 9.794 1.00 0.00 C ATOM 268 CD1 LEU A 19 -12.974 -3.304 10.684 1.00 0.00 C ATOM 269 CD2 LEU A 19 -14.329 -5.432 10.404 1.00 0.00 C ATOM 0 H LEU A 19 -17.239 -4.459 10.334 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.401 -2.629 11.452 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -15.811 -3.811 8.751 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.837 -2.358 8.860 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.440 -4.299 8.858 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.121 -3.939 10.924 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.628 -2.415 10.157 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.476 -3.007 11.605 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.422 -5.987 10.645 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.910 -5.273 11.313 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.923 -6.001 9.689 1.00 0.00 H new ATOM 281 N ALA A 20 -17.815 -1.246 9.703 1.00 0.00 N ATOM 282 CA ALA A 20 -18.541 0.039 9.562 1.00 0.00 C ATOM 283 C ALA A 20 -18.877 0.685 10.920 1.00 0.00 C ATOM 284 O ALA A 20 -18.736 1.897 11.079 1.00 0.00 O ATOM 285 CB ALA A 20 -19.824 -0.145 8.746 1.00 0.00 C ATOM 0 H ALA A 20 -18.308 -2.047 9.309 1.00 0.00 H new ATOM 0 HA ALA A 20 -17.868 0.714 9.034 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -20.339 0.812 8.657 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -19.573 -0.516 7.752 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -20.475 -0.862 9.248 1.00 0.00 H new ATOM 291 N GLU A 21 -19.262 -0.140 11.896 1.00 0.00 N ATOM 292 CA GLU A 21 -19.448 0.252 13.309 1.00 0.00 C ATOM 293 C GLU A 21 -18.141 0.802 13.918 1.00 0.00 C ATOM 294 O GLU A 21 -18.113 1.938 14.391 1.00 0.00 O ATOM 295 CB GLU A 21 -19.970 -0.962 14.087 1.00 0.00 C ATOM 296 CG GLU A 21 -20.293 -0.669 15.559 1.00 0.00 C ATOM 297 CD GLU A 21 -20.660 -1.935 16.344 1.00 0.00 C ATOM 298 OE1 GLU A 21 -19.972 -2.965 16.156 1.00 0.00 O ATOM 299 OE2 GLU A 21 -21.588 -1.827 17.173 1.00 0.00 O ATOM 0 H GLU A 21 -19.460 -1.127 11.729 1.00 0.00 H new ATOM 0 HA GLU A 21 -20.177 1.060 13.371 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.868 -1.336 13.596 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.226 -1.758 14.040 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.433 -0.191 16.028 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -21.119 0.040 15.612 1.00 0.00 H new ATOM 306 N ILE A 22 -17.053 0.047 13.757 1.00 0.00 N ATOM 307 CA ILE A 22 -15.691 0.467 14.157 1.00 0.00 C ATOM 308 C ILE A 22 -15.327 1.809 13.489 1.00 0.00 C ATOM 309 O ILE A 22 -15.107 2.794 14.191 1.00 0.00 O ATOM 310 CB ILE A 22 -14.690 -0.675 13.860 1.00 0.00 C ATOM 311 CG1 ILE A 22 -15.020 -1.882 14.754 1.00 0.00 C ATOM 312 CG2 ILE A 22 -13.229 -0.241 14.065 1.00 0.00 C ATOM 313 CD1 ILE A 22 -14.440 -3.215 14.267 1.00 0.00 C ATOM 0 H ILE A 22 -17.083 -0.884 13.342 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.646 0.649 15.231 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.793 -0.948 12.810 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.648 -1.685 15.760 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -16.103 -1.977 14.828 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -12.566 -1.078 13.844 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.999 0.590 13.398 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.084 0.073 15.099 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -14.723 -4.009 14.958 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -14.831 -3.441 13.275 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.353 -3.144 14.221 1.00 0.00 H new ATOM 325 N TRP A 23 -15.515 1.882 12.172 1.00 0.00 N ATOM 326 CA TRP A 23 -15.292 3.104 11.377 1.00 0.00 C ATOM 327 C TRP A 23 -16.108 4.312 11.851 1.00 0.00 C ATOM 328 O TRP A 23 -15.503 5.250 12.359 1.00 0.00 O ATOM 329 CB TRP A 23 -15.471 2.844 9.876 1.00 0.00 C ATOM 330 CG TRP A 23 -14.390 1.919 9.295 1.00 0.00 C ATOM 331 CD1 TRP A 23 -14.612 0.940 8.418 1.00 0.00 C ATOM 332 CD2 TRP A 23 -13.048 1.850 9.650 1.00 0.00 C ATOM 333 NE1 TRP A 23 -13.488 0.251 8.215 1.00 0.00 N ATOM 334 CE2 TRP A 23 -12.514 0.774 8.958 1.00 0.00 C ATOM 335 CE3 TRP A 23 -12.242 2.582 10.518 1.00 0.00 C ATOM 336 CZ2 TRP A 23 -11.186 0.413 9.147 1.00 0.00 C ATOM 337 CZ3 TRP A 23 -10.922 2.211 10.725 1.00 0.00 C ATOM 338 CH2 TRP A 23 -10.395 1.116 10.049 1.00 0.00 C ATOM 0 H TRP A 23 -15.830 1.088 11.614 1.00 0.00 H new ATOM 0 HA TRP A 23 -14.251 3.377 11.547 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -16.452 2.401 9.704 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.453 3.795 9.343 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -15.560 0.735 7.943 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -13.390 -0.549 7.590 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -12.646 3.442 11.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -10.768 -0.414 8.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -10.304 2.772 11.410 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.374 0.812 10.224 1.00 0.00 H new ATOM 349 N GLU A 24 -17.431 4.178 11.947 1.00 0.00 N ATOM 350 CA GLU A 24 -18.316 5.270 12.421 1.00 0.00 C ATOM 351 C GLU A 24 -17.999 5.806 13.832 1.00 0.00 C ATOM 352 O GLU A 24 -18.334 6.951 14.130 1.00 0.00 O ATOM 353 CB GLU A 24 -19.801 4.902 12.280 1.00 0.00 C ATOM 354 CG GLU A 24 -20.280 3.719 13.129 1.00 0.00 C ATOM 355 CD GLU A 24 -21.617 3.123 12.668 1.00 0.00 C ATOM 356 OE1 GLU A 24 -21.939 3.258 11.465 1.00 0.00 O ATOM 357 OE2 GLU A 24 -22.296 2.545 13.542 1.00 0.00 O ATOM 0 H GLU A 24 -17.927 3.321 11.703 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.098 6.103 11.753 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -20.398 5.776 12.539 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -20.002 4.678 11.232 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -19.519 2.939 13.109 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.376 4.044 14.165 1.00 0.00 H new ATOM 364 N ARG A 25 -17.471 4.923 14.680 1.00 0.00 N ATOM 365 CA ARG A 25 -16.937 5.251 16.016 1.00 0.00 C ATOM 366 C ARG A 25 -15.563 5.954 15.930 1.00 0.00 C ATOM 367 O ARG A 25 -15.457 7.136 16.253 1.00 0.00 O ATOM 368 CB ARG A 25 -16.861 3.942 16.809 1.00 0.00 C ATOM 369 CG ARG A 25 -16.710 4.147 18.317 1.00 0.00 C ATOM 370 CD ARG A 25 -16.524 2.791 18.998 1.00 0.00 C ATOM 371 NE ARG A 25 -16.559 2.948 20.462 1.00 0.00 N ATOM 372 CZ ARG A 25 -16.252 2.014 21.367 1.00 0.00 C ATOM 373 NH1 ARG A 25 -15.698 0.855 21.034 1.00 0.00 N ATOM 374 NH2 ARG A 25 -16.389 2.280 22.658 1.00 0.00 N ATOM 0 H ARG A 25 -17.398 3.930 14.457 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.594 5.959 16.521 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -17.762 3.359 16.619 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -16.018 3.355 16.445 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.855 4.790 18.524 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -17.591 4.649 18.717 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -17.309 2.105 18.680 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -15.574 2.351 18.695 1.00 0.00 H new ATOM 0 HE ARG A 25 -16.846 3.859 20.820 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -15.491 0.651 20.056 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -15.479 0.168 21.756 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -16.728 3.194 22.957 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -16.156 1.570 23.352 1.00 0.00 H new ATOM 388 N VAL A 26 -14.577 5.271 15.342 1.00 0.00 N ATOM 389 CA VAL A 26 -13.170 5.728 15.197 1.00 0.00 C ATOM 390 C VAL A 26 -13.036 7.043 14.391 1.00 0.00 C ATOM 391 O VAL A 26 -12.233 7.907 14.735 1.00 0.00 O ATOM 392 CB VAL A 26 -12.313 4.575 14.621 1.00 0.00 C ATOM 393 CG1 VAL A 26 -10.861 4.967 14.312 1.00 0.00 C ATOM 394 CG2 VAL A 26 -12.265 3.398 15.603 1.00 0.00 C ATOM 0 H VAL A 26 -14.731 4.349 14.935 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.789 5.981 16.186 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.802 4.306 13.684 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.328 4.104 13.912 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.850 5.772 13.577 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.372 5.303 15.226 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.658 2.597 15.181 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.827 3.728 16.545 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.276 3.032 15.782 1.00 0.00 H new ATOM 404 N LEU A 27 -13.871 7.188 13.364 1.00 0.00 N ATOM 405 CA LEU A 27 -14.018 8.404 12.530 1.00 0.00 C ATOM 406 C LEU A 27 -14.415 9.673 13.317 1.00 0.00 C ATOM 407 O LEU A 27 -14.238 10.788 12.824 1.00 0.00 O ATOM 408 CB LEU A 27 -15.021 8.046 11.424 1.00 0.00 C ATOM 409 CG LEU A 27 -15.391 9.136 10.419 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.520 8.508 9.032 1.00 0.00 C ATOM 411 CD2 LEU A 27 -16.739 9.756 10.798 1.00 0.00 C ATOM 0 H LEU A 27 -14.495 6.437 13.069 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.051 8.681 12.110 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.618 7.200 10.867 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.939 7.705 11.902 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.619 9.905 10.422 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.784 9.278 8.307 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.571 8.053 8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.297 7.744 9.049 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.998 10.532 10.078 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.509 8.984 10.792 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.671 10.193 11.794 1.00 0.00 H new ATOM 423 N GLY A 28 -14.965 9.455 14.520 1.00 0.00 N ATOM 424 CA GLY A 28 -15.463 10.515 15.418 1.00 0.00 C ATOM 425 C GLY A 28 -16.971 10.359 15.634 1.00 0.00 C ATOM 426 O GLY A 28 -17.748 11.166 15.132 1.00 0.00 O ATOM 0 H GLY A 28 -15.080 8.518 14.907 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.944 10.465 16.375 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.249 11.494 14.990 1.00 0.00 H new ATOM 430 N VAL A 29 -17.317 9.287 16.354 1.00 0.00 N ATOM 431 CA VAL A 29 -18.680 8.794 16.678 1.00 0.00 C ATOM 432 C VAL A 29 -19.845 9.577 16.031 1.00 0.00 C ATOM 433 O VAL A 29 -20.572 10.351 16.652 1.00 0.00 O ATOM 434 CB VAL A 29 -18.783 8.551 18.202 1.00 0.00 C ATOM 435 CG1 VAL A 29 -18.680 9.821 19.056 1.00 0.00 C ATOM 436 CG2 VAL A 29 -20.008 7.704 18.564 1.00 0.00 C ATOM 0 H VAL A 29 -16.601 8.686 16.763 1.00 0.00 H new ATOM 0 HA VAL A 29 -18.818 7.831 16.186 1.00 0.00 H new ATOM 0 HB VAL A 29 -17.895 7.974 18.459 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.762 9.558 20.111 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.719 10.303 18.876 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -19.485 10.505 18.789 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -20.043 7.557 19.643 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -20.913 8.216 18.238 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -19.940 6.736 18.068 1.00 0.00 H new ATOM 446 N SER A 30 -20.028 9.260 14.752 1.00 0.00 N ATOM 447 CA SER A 30 -20.903 10.047 13.859 1.00 0.00 C ATOM 448 C SER A 30 -22.064 9.265 13.220 1.00 0.00 C ATOM 449 O SER A 30 -23.193 9.753 13.209 1.00 0.00 O ATOM 450 CB SER A 30 -20.035 10.707 12.781 1.00 0.00 C ATOM 451 OG SER A 30 -20.704 11.845 12.239 1.00 0.00 O ATOM 0 H SER A 30 -19.584 8.461 14.300 1.00 0.00 H new ATOM 0 HA SER A 30 -21.395 10.791 14.485 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.078 11.008 13.208 1.00 0.00 H new ATOM 0 HB3 SER A 30 -19.820 9.991 11.988 1.00 0.00 H new ATOM 0 HG SER A 30 -20.140 12.260 11.553 1.00 0.00 H new ATOM 457 N GLY A 31 -21.750 8.097 12.635 1.00 0.00 N ATOM 458 CA GLY A 31 -22.754 7.203 12.015 1.00 0.00 C ATOM 459 C GLY A 31 -22.699 7.239 10.481 1.00 0.00 C ATOM 460 O GLY A 31 -23.580 7.796 9.826 1.00 0.00 O ATOM 0 H GLY A 31 -20.795 7.742 12.576 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -22.589 6.182 12.358 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -23.751 7.494 12.347 1.00 0.00 H new ATOM 464 N ILE A 32 -21.800 6.436 9.921 1.00 0.00 N ATOM 465 CA ILE A 32 -21.484 6.512 8.478 1.00 0.00 C ATOM 466 C ILE A 32 -21.906 5.260 7.699 1.00 0.00 C ATOM 467 O ILE A 32 -21.977 4.156 8.240 1.00 0.00 O ATOM 468 CB ILE A 32 -20.002 6.821 8.181 1.00 0.00 C ATOM 469 CG1 ILE A 32 -19.053 5.795 8.820 1.00 0.00 C ATOM 470 CG2 ILE A 32 -19.677 8.269 8.571 1.00 0.00 C ATOM 471 CD1 ILE A 32 -17.721 5.662 8.079 1.00 0.00 C ATOM 0 H ILE A 32 -21.274 5.726 10.431 1.00 0.00 H new ATOM 0 HA ILE A 32 -22.080 7.356 8.130 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.839 6.727 7.107 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -18.859 6.083 9.853 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.545 4.823 8.847 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -18.629 8.477 8.357 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.306 8.950 7.998 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -19.865 8.410 9.635 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -17.098 4.922 8.581 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -17.906 5.344 7.053 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -17.210 6.625 8.074 1.00 0.00 H new ATOM 483 N GLY A 33 -22.150 5.494 6.406 1.00 0.00 N ATOM 484 CA GLY A 33 -22.507 4.437 5.442 1.00 0.00 C ATOM 485 C GLY A 33 -21.356 3.466 5.154 1.00 0.00 C ATOM 486 O GLY A 33 -20.183 3.807 5.276 1.00 0.00 O ATOM 0 H GLY A 33 -22.106 6.425 5.992 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.359 3.876 5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.826 4.899 4.508 1.00 0.00 H new ATOM 490 N ILE A 34 -21.751 2.288 4.675 1.00 0.00 N ATOM 491 CA ILE A 34 -20.863 1.275 4.054 1.00 0.00 C ATOM 492 C ILE A 34 -19.877 1.903 3.038 1.00 0.00 C ATOM 493 O ILE A 34 -18.704 1.543 3.000 1.00 0.00 O ATOM 494 CB ILE A 34 -21.774 0.200 3.416 1.00 0.00 C ATOM 495 CG1 ILE A 34 -22.652 -0.508 4.464 1.00 0.00 C ATOM 496 CG2 ILE A 34 -21.059 -0.804 2.496 1.00 0.00 C ATOM 497 CD1 ILE A 34 -21.938 -1.268 5.591 1.00 0.00 C ATOM 0 H ILE A 34 -22.726 1.991 4.704 1.00 0.00 H new ATOM 0 HA ILE A 34 -20.223 0.818 4.809 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.426 0.763 2.748 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -23.300 0.240 4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -23.299 -1.212 3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -21.784 -1.515 2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -20.587 -0.270 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -20.299 -1.340 3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -22.678 -1.716 6.254 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -21.313 -2.052 5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -21.315 -0.577 6.158 1.00 0.00 H new ATOM 509 N LEU A 35 -20.391 2.870 2.279 1.00 0.00 N ATOM 510 CA LEU A 35 -19.637 3.732 1.344 1.00 0.00 C ATOM 511 C LEU A 35 -18.472 4.511 1.986 1.00 0.00 C ATOM 512 O LEU A 35 -17.443 4.697 1.340 1.00 0.00 O ATOM 513 CB LEU A 35 -20.646 4.714 0.728 1.00 0.00 C ATOM 514 CG LEU A 35 -20.065 5.709 -0.286 1.00 0.00 C ATOM 515 CD1 LEU A 35 -19.673 5.025 -1.598 1.00 0.00 C ATOM 516 CD2 LEU A 35 -21.057 6.846 -0.529 1.00 0.00 C ATOM 0 H LEU A 35 -21.387 3.091 2.293 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.166 3.088 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -21.432 4.140 0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -21.117 5.277 1.534 1.00 0.00 H new ATOM 0 HG LEU A 35 -19.150 6.125 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -19.267 5.765 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -18.920 4.262 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -20.553 4.560 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -20.637 7.548 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -21.989 6.438 -0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -21.254 7.364 0.410 1.00 0.00 H new ATOM 528 N ASP A 36 -18.630 4.874 3.264 1.00 0.00 N ATOM 529 CA ASP A 36 -17.761 5.808 4.019 1.00 0.00 C ATOM 530 C ASP A 36 -17.762 7.219 3.392 1.00 0.00 C ATOM 531 O ASP A 36 -18.187 7.400 2.254 1.00 0.00 O ATOM 532 CB ASP A 36 -16.324 5.272 4.111 1.00 0.00 C ATOM 533 CG ASP A 36 -16.213 3.904 4.793 1.00 0.00 C ATOM 534 OD1 ASP A 36 -16.392 2.879 4.100 1.00 0.00 O ATOM 535 OD2 ASP A 36 -15.964 3.912 6.018 1.00 0.00 O ATOM 0 H ASP A 36 -19.397 4.514 3.832 1.00 0.00 H new ATOM 0 HA ASP A 36 -18.171 5.885 5.026 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.908 5.201 3.106 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -15.713 5.990 4.658 1.00 0.00 H new ATOM 540 N ASN A 37 -17.332 8.224 4.156 1.00 0.00 N ATOM 541 CA ASN A 37 -17.090 9.574 3.592 1.00 0.00 C ATOM 542 C ASN A 37 -15.890 9.630 2.614 1.00 0.00 C ATOM 543 O ASN A 37 -15.513 10.708 2.163 1.00 0.00 O ATOM 544 CB ASN A 37 -16.914 10.604 4.723 1.00 0.00 C ATOM 545 CG ASN A 37 -17.008 12.046 4.197 1.00 0.00 C ATOM 546 OD1 ASN A 37 -16.278 12.970 4.780 1.00 0.00 O flip ATOM 547 ND2 ASN A 37 -17.903 12.403 3.445 1.00 0.00 N flip ATOM 0 H ASN A 37 -17.143 8.142 5.155 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.973 9.824 3.004 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -17.678 10.443 5.484 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -15.948 10.454 5.205 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.485 11.707 2.979 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -18.068 13.397 3.284 1.00 0.00 H new ATOM 554 N PHE A 38 -15.288 8.469 2.333 1.00 0.00 N ATOM 555 CA PHE A 38 -14.076 8.242 1.506 1.00 0.00 C ATOM 556 C PHE A 38 -12.807 9.094 1.752 1.00 0.00 C ATOM 557 O PHE A 38 -11.742 8.827 1.200 1.00 0.00 O ATOM 558 CB PHE A 38 -14.445 8.140 0.017 1.00 0.00 C ATOM 559 CG PHE A 38 -15.087 9.387 -0.592 1.00 0.00 C ATOM 560 CD1 PHE A 38 -16.468 9.532 -0.597 1.00 0.00 C ATOM 561 CD2 PHE A 38 -14.279 10.341 -1.201 1.00 0.00 C ATOM 562 CE1 PHE A 38 -17.045 10.637 -1.209 1.00 0.00 C ATOM 563 CE2 PHE A 38 -14.858 11.442 -1.819 1.00 0.00 C ATOM 564 CZ PHE A 38 -16.240 11.591 -1.823 1.00 0.00 C ATOM 0 H PHE A 38 -15.655 7.591 2.701 1.00 0.00 H new ATOM 0 HA PHE A 38 -13.720 7.284 1.886 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.542 7.906 -0.547 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -15.129 7.301 -0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -17.092 8.787 -0.126 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -13.205 10.226 -1.193 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -18.118 10.756 -1.208 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -14.234 12.183 -2.297 1.00 0.00 H new ATOM 0 HZ PHE A 38 -16.689 12.448 -2.303 1.00 0.00 H new ATOM 574 N PHE A 39 -12.945 10.073 2.638 1.00 0.00 N ATOM 575 CA PHE A 39 -11.893 11.014 3.065 1.00 0.00 C ATOM 576 C PHE A 39 -11.419 10.756 4.513 1.00 0.00 C ATOM 577 O PHE A 39 -10.374 10.143 4.737 1.00 0.00 O ATOM 578 CB PHE A 39 -12.507 12.404 2.842 1.00 0.00 C ATOM 579 CG PHE A 39 -11.639 13.590 3.257 1.00 0.00 C ATOM 580 CD1 PHE A 39 -10.642 14.046 2.404 1.00 0.00 C ATOM 581 CD2 PHE A 39 -12.020 14.359 4.351 1.00 0.00 C ATOM 582 CE1 PHE A 39 -10.039 15.276 2.633 1.00 0.00 C ATOM 583 CE2 PHE A 39 -11.415 15.588 4.581 1.00 0.00 C ATOM 584 CZ PHE A 39 -10.427 16.048 3.720 1.00 0.00 C ATOM 0 H PHE A 39 -13.834 10.249 3.107 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.973 10.900 2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.749 12.508 1.784 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.447 12.457 3.391 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.335 13.443 1.562 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.787 14.001 5.022 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -9.268 15.632 1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.713 16.186 5.430 1.00 0.00 H new ATOM 0 HZ PHE A 39 -9.961 17.006 3.896 1.00 0.00 H new ATOM 594 N GLN A 40 -12.252 11.129 5.486 1.00 0.00 N ATOM 595 CA GLN A 40 -11.955 11.051 6.938 1.00 0.00 C ATOM 596 C GLN A 40 -11.951 9.647 7.595 1.00 0.00 C ATOM 597 O GLN A 40 -12.240 9.497 8.781 1.00 0.00 O ATOM 598 CB GLN A 40 -12.878 12.038 7.674 1.00 0.00 C ATOM 599 CG GLN A 40 -14.362 11.665 7.579 1.00 0.00 C ATOM 600 CD GLN A 40 -15.271 12.714 8.218 1.00 0.00 C ATOM 601 OE1 GLN A 40 -15.480 12.634 9.512 1.00 0.00 O flip ATOM 602 NE2 GLN A 40 -15.832 13.561 7.540 1.00 0.00 N flip ATOM 0 H GLN A 40 -13.180 11.505 5.292 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.906 11.330 7.038 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.588 12.082 8.724 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.734 13.036 7.261 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.636 11.541 6.531 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.524 10.703 8.066 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.658 13.608 6.536 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.475 14.221 7.978 1.00 0.00 H new ATOM 611 N ILE A 41 -11.529 8.642 6.831 1.00 0.00 N ATOM 612 CA ILE A 41 -11.438 7.242 7.316 1.00 0.00 C ATOM 613 C ILE A 41 -10.003 6.822 7.693 1.00 0.00 C ATOM 614 O ILE A 41 -9.806 6.023 8.604 1.00 0.00 O ATOM 615 CB ILE A 41 -12.110 6.202 6.387 1.00 0.00 C ATOM 616 CG1 ILE A 41 -11.411 5.886 5.047 1.00 0.00 C ATOM 617 CG2 ILE A 41 -13.604 6.505 6.231 1.00 0.00 C ATOM 618 CD1 ILE A 41 -11.186 7.032 4.054 1.00 0.00 C ATOM 0 H ILE A 41 -11.239 8.761 5.860 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.024 7.243 8.235 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.985 5.256 6.913 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.439 5.448 5.275 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.996 5.118 4.541 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.059 5.763 5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.086 6.470 7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -13.731 7.498 5.799 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.685 6.650 3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.147 7.463 3.773 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.566 7.799 4.518 1.00 0.00 H new ATOM 630 N GLY A 42 -9.036 7.310 6.902 1.00 0.00 N ATOM 631 CA GLY A 42 -7.599 7.212 7.237 1.00 0.00 C ATOM 632 C GLY A 42 -6.995 8.542 7.717 1.00 0.00 C ATOM 633 O GLY A 42 -6.025 8.545 8.475 1.00 0.00 O ATOM 0 H GLY A 42 -9.221 7.782 6.017 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.464 6.459 8.013 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.051 6.868 6.360 1.00 0.00 H new ATOM 637 N GLY A 43 -7.548 9.652 7.203 1.00 0.00 N ATOM 638 CA GLY A 43 -7.123 11.025 7.553 1.00 0.00 C ATOM 639 C GLY A 43 -5.661 11.333 7.195 1.00 0.00 C ATOM 640 O GLY A 43 -4.940 10.531 6.605 1.00 0.00 O ATOM 0 H GLY A 43 -8.310 9.626 6.526 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.770 11.737 7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.265 11.177 8.623 1.00 0.00 H new ATOM 644 N HIS A 44 -5.234 12.510 7.640 1.00 0.00 N ATOM 645 CA HIS A 44 -3.865 13.018 7.416 1.00 0.00 C ATOM 646 C HIS A 44 -3.099 13.208 8.741 1.00 0.00 C ATOM 647 O HIS A 44 -2.586 14.281 9.060 1.00 0.00 O ATOM 648 CB HIS A 44 -3.914 14.291 6.547 1.00 0.00 C ATOM 649 CG HIS A 44 -4.632 15.511 7.149 1.00 0.00 C ATOM 650 ND1 HIS A 44 -5.802 15.536 7.785 1.00 0.00 N flip ATOM 651 CD2 HIS A 44 -4.222 16.771 7.027 1.00 0.00 C flip ATOM 652 CE1 HIS A 44 -6.110 16.797 8.059 1.00 0.00 C flip ATOM 653 NE2 HIS A 44 -5.131 17.564 7.589 1.00 0.00 N flip ATOM 0 H HIS A 44 -5.824 13.150 8.171 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.295 12.271 6.864 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.890 14.581 6.310 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.400 14.041 5.604 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.307 17.095 6.553 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.997 17.139 8.572 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.085 18.581 7.649 1.00 0.00 H new ATOM 662 N SER A 45 -3.069 12.120 9.514 1.00 0.00 N ATOM 663 CA SER A 45 -2.528 12.053 10.895 1.00 0.00 C ATOM 664 C SER A 45 -2.500 10.612 11.446 1.00 0.00 C ATOM 665 O SER A 45 -2.769 9.666 10.706 1.00 0.00 O ATOM 666 CB SER A 45 -3.341 12.961 11.833 1.00 0.00 C ATOM 667 OG SER A 45 -2.863 14.301 11.725 1.00 0.00 O ATOM 0 H SER A 45 -3.432 11.222 9.194 1.00 0.00 H new ATOM 0 HA SER A 45 -1.497 12.405 10.852 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.399 12.918 11.573 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.252 12.613 12.862 1.00 0.00 H new ATOM 0 HG SER A 45 -2.465 14.436 10.840 1.00 0.00 H new ATOM 673 N LEU A 46 -2.290 10.480 12.760 1.00 0.00 N ATOM 674 CA LEU A 46 -2.216 9.198 13.505 1.00 0.00 C ATOM 675 C LEU A 46 -3.366 8.195 13.287 1.00 0.00 C ATOM 676 O LEU A 46 -3.193 6.999 13.520 1.00 0.00 O ATOM 677 CB LEU A 46 -2.006 9.434 15.011 1.00 0.00 C ATOM 678 CG LEU A 46 -3.178 10.083 15.763 1.00 0.00 C ATOM 679 CD1 LEU A 46 -3.093 9.703 17.241 1.00 0.00 C ATOM 680 CD2 LEU A 46 -3.155 11.610 15.649 1.00 0.00 C ATOM 0 H LEU A 46 -2.161 11.290 13.367 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.345 8.714 13.062 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.785 8.476 15.481 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.125 10.063 15.140 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.104 9.721 15.315 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.922 10.160 17.782 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.147 8.619 17.342 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.149 10.059 17.654 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.001 12.028 16.195 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.226 11.992 16.071 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.222 11.898 14.600 1.00 0.00 H new ATOM 692 N LYS A 47 -4.524 8.694 12.849 1.00 0.00 N ATOM 693 CA LYS A 47 -5.666 7.889 12.358 1.00 0.00 C ATOM 694 C LYS A 47 -5.209 6.728 11.449 1.00 0.00 C ATOM 695 O LYS A 47 -5.393 5.564 11.799 1.00 0.00 O ATOM 696 CB LYS A 47 -6.601 8.803 11.557 1.00 0.00 C ATOM 697 CG LYS A 47 -7.295 9.882 12.396 1.00 0.00 C ATOM 698 CD LYS A 47 -8.750 9.531 12.728 1.00 0.00 C ATOM 699 CE LYS A 47 -9.645 9.583 11.485 1.00 0.00 C ATOM 700 NZ LYS A 47 -11.050 9.340 11.835 1.00 0.00 N ATOM 0 H LYS A 47 -4.707 9.697 12.822 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.173 7.459 13.222 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.028 9.286 10.766 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.361 8.191 11.072 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.740 10.028 13.323 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.268 10.829 11.856 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.793 8.534 13.165 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.129 10.225 13.478 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.550 10.557 11.005 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.313 8.838 10.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.570 9.029 10.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.103 8.601 12.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.474 10.217 12.199 1.00 0.00 H new ATOM 714 N ALA A 48 -4.363 7.071 10.476 1.00 0.00 N ATOM 715 CA ALA A 48 -3.720 6.122 9.545 1.00 0.00 C ATOM 716 C ALA A 48 -2.900 5.018 10.238 1.00 0.00 C ATOM 717 O ALA A 48 -3.018 3.854 9.866 1.00 0.00 O ATOM 718 CB ALA A 48 -2.836 6.914 8.577 1.00 0.00 C ATOM 0 H ALA A 48 -4.095 8.040 10.303 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.516 5.599 9.015 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.353 6.228 7.881 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.450 7.622 8.021 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.076 7.456 9.139 1.00 0.00 H new ATOM 724 N MET A 49 -2.215 5.370 11.327 1.00 0.00 N ATOM 725 CA MET A 49 -1.434 4.426 12.162 1.00 0.00 C ATOM 726 C MET A 49 -2.336 3.449 12.940 1.00 0.00 C ATOM 727 O MET A 49 -2.138 2.235 12.890 1.00 0.00 O ATOM 728 CB MET A 49 -0.532 5.184 13.145 1.00 0.00 C ATOM 729 CG MET A 49 0.502 6.092 12.471 1.00 0.00 C ATOM 730 SD MET A 49 1.700 5.206 11.407 1.00 0.00 S ATOM 731 CE MET A 49 1.137 5.716 9.798 1.00 0.00 C ATOM 0 H MET A 49 -2.180 6.331 11.668 1.00 0.00 H new ATOM 0 HA MET A 49 -0.818 3.843 11.478 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.157 5.788 13.803 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.011 4.462 13.774 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.021 6.835 11.869 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.050 6.634 13.242 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.765 5.261 9.032 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.104 5.398 9.656 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.197 6.801 9.719 1.00 0.00 H new ATOM 741 N ALA A 50 -3.387 3.995 13.552 1.00 0.00 N ATOM 742 CA ALA A 50 -4.437 3.207 14.235 1.00 0.00 C ATOM 743 C ALA A 50 -5.149 2.239 13.269 1.00 0.00 C ATOM 744 O ALA A 50 -5.380 1.074 13.597 1.00 0.00 O ATOM 745 CB ALA A 50 -5.450 4.156 14.882 1.00 0.00 C ATOM 0 H ALA A 50 -3.543 5.002 13.593 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.959 2.601 15.004 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.223 3.575 15.385 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.942 4.790 15.609 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.907 4.779 14.113 1.00 0.00 H new ATOM 751 N VAL A 51 -5.429 2.727 12.059 1.00 0.00 N ATOM 752 CA VAL A 51 -5.959 1.894 10.958 1.00 0.00 C ATOM 753 C VAL A 51 -4.924 0.835 10.529 1.00 0.00 C ATOM 754 O VAL A 51 -5.256 -0.343 10.516 1.00 0.00 O ATOM 755 CB VAL A 51 -6.440 2.743 9.762 1.00 0.00 C ATOM 756 CG1 VAL A 51 -7.087 1.857 8.693 1.00 0.00 C ATOM 757 CG2 VAL A 51 -7.475 3.797 10.172 1.00 0.00 C ATOM 0 H VAL A 51 -5.298 3.707 11.807 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.838 1.372 11.336 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.552 3.241 9.373 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.419 2.476 7.859 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.360 1.127 8.336 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.943 1.336 9.122 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.781 4.367 9.295 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.345 3.303 10.605 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.036 4.471 10.908 1.00 0.00 H new ATOM 767 N ALA A 52 -3.664 1.233 10.342 1.00 0.00 N ATOM 768 CA ALA A 52 -2.545 0.331 9.979 1.00 0.00 C ATOM 769 C ALA A 52 -2.391 -0.885 10.907 1.00 0.00 C ATOM 770 O ALA A 52 -2.224 -2.004 10.427 1.00 0.00 O ATOM 771 CB ALA A 52 -1.228 1.111 9.979 1.00 0.00 C ATOM 0 H ALA A 52 -3.377 2.207 10.438 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.786 -0.051 8.987 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.409 0.443 9.712 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.286 1.923 9.254 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.050 1.524 10.972 1.00 0.00 H new ATOM 777 N ALA A 53 -2.524 -0.654 12.213 1.00 0.00 N ATOM 778 CA ALA A 53 -2.529 -1.729 13.229 1.00 0.00 C ATOM 779 C ALA A 53 -3.645 -2.762 12.981 1.00 0.00 C ATOM 780 O ALA A 53 -3.363 -3.950 12.817 1.00 0.00 O ATOM 781 CB ALA A 53 -2.648 -1.095 14.617 1.00 0.00 C ATOM 0 H ALA A 53 -2.632 0.281 12.606 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.592 -2.281 13.160 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.653 -1.878 15.375 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.801 -0.430 14.787 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.575 -0.525 14.678 1.00 0.00 H new ATOM 787 N GLN A 54 -4.859 -2.260 12.749 1.00 0.00 N ATOM 788 CA GLN A 54 -6.030 -3.066 12.332 1.00 0.00 C ATOM 789 C GLN A 54 -5.815 -3.749 10.969 1.00 0.00 C ATOM 790 O GLN A 54 -6.053 -4.945 10.825 1.00 0.00 O ATOM 791 CB GLN A 54 -7.276 -2.177 12.258 1.00 0.00 C ATOM 792 CG GLN A 54 -7.716 -1.667 13.632 1.00 0.00 C ATOM 793 CD GLN A 54 -8.766 -0.563 13.485 1.00 0.00 C ATOM 794 OE1 GLN A 54 -9.945 -0.794 13.257 1.00 0.00 O ATOM 795 NE2 GLN A 54 -8.323 0.672 13.538 1.00 0.00 N ATOM 0 H GLN A 54 -5.070 -1.267 12.844 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.164 -3.847 13.080 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.073 -1.327 11.607 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.092 -2.739 11.804 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.125 -2.490 14.218 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.853 -1.286 14.178 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.337 0.853 13.729 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.964 1.451 13.388 1.00 0.00 H new ATOM 804 N VAL A 55 -5.264 -3.004 10.017 1.00 0.00 N ATOM 805 CA VAL A 55 -4.897 -3.483 8.665 1.00 0.00 C ATOM 806 C VAL A 55 -3.872 -4.639 8.692 1.00 0.00 C ATOM 807 O VAL A 55 -3.924 -5.530 7.849 1.00 0.00 O ATOM 808 CB VAL A 55 -4.478 -2.276 7.797 1.00 0.00 C ATOM 809 CG1 VAL A 55 -3.879 -2.658 6.442 1.00 0.00 C ATOM 810 CG2 VAL A 55 -5.702 -1.408 7.490 1.00 0.00 C ATOM 0 H VAL A 55 -5.049 -2.017 10.157 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.770 -3.937 8.196 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.719 -1.757 8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.611 -1.754 5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.988 -3.266 6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.611 -3.226 5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.401 -0.558 6.878 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.442 -2.000 6.951 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.136 -1.048 8.423 1.00 0.00 H new ATOM 820 N HIS A 56 -2.955 -4.615 9.655 1.00 0.00 N ATOM 821 CA HIS A 56 -1.994 -5.715 9.861 1.00 0.00 C ATOM 822 C HIS A 56 -2.620 -6.987 10.472 1.00 0.00 C ATOM 823 O HIS A 56 -2.337 -8.088 10.004 1.00 0.00 O ATOM 824 CB HIS A 56 -0.819 -5.192 10.695 1.00 0.00 C ATOM 825 CG HIS A 56 0.465 -6.028 10.580 1.00 0.00 C ATOM 826 ND1 HIS A 56 1.446 -6.046 11.480 1.00 0.00 N ATOM 827 CD2 HIS A 56 0.897 -6.694 9.509 1.00 0.00 C ATOM 828 CE1 HIS A 56 2.481 -6.700 10.959 1.00 0.00 C ATOM 829 NE2 HIS A 56 2.141 -7.095 9.738 1.00 0.00 N ATOM 0 H HIS A 56 -2.850 -3.843 10.314 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.639 -6.037 8.882 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.600 -4.169 10.390 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.121 -5.155 11.742 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.331 -6.876 8.608 1.00 0.00 H new ATOM 0 HE1 HIS A 56 3.430 -6.878 11.444 1.00 0.00 H new ATOM 0 HE2 HIS A 56 2.732 -7.615 9.090 1.00 0.00 H new ATOM 838 N ARG A 57 -3.536 -6.813 11.429 1.00 0.00 N ATOM 839 CA ARG A 57 -4.188 -7.943 12.134 1.00 0.00 C ATOM 840 C ARG A 57 -5.504 -8.475 11.531 1.00 0.00 C ATOM 841 O ARG A 57 -5.602 -9.647 11.179 1.00 0.00 O ATOM 842 CB ARG A 57 -4.347 -7.635 13.635 1.00 0.00 C ATOM 843 CG ARG A 57 -5.155 -6.370 13.955 1.00 0.00 C ATOM 844 CD ARG A 57 -5.162 -6.086 15.455 1.00 0.00 C ATOM 845 NE ARG A 57 -4.796 -4.675 15.668 1.00 0.00 N ATOM 846 CZ ARG A 57 -5.435 -3.781 16.428 1.00 0.00 C ATOM 847 NH1 ARG A 57 -6.465 -4.102 17.198 1.00 0.00 N ATOM 848 NH2 ARG A 57 -4.961 -2.549 16.526 1.00 0.00 N ATOM 0 H ARG A 57 -3.851 -5.895 11.742 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.494 -8.771 11.989 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.828 -8.487 14.116 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.356 -7.537 14.077 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.730 -5.519 13.423 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.179 -6.489 13.600 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.148 -6.288 15.874 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.457 -6.741 15.967 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.963 -4.344 15.182 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.800 -5.065 17.227 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.923 -3.386 17.762 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.113 -2.287 16.023 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.444 -1.861 17.104 1.00 0.00 H new ATOM 862 N GLU A 58 -6.457 -7.574 11.315 1.00 0.00 N ATOM 863 CA GLU A 58 -7.822 -7.869 10.831 1.00 0.00 C ATOM 864 C GLU A 58 -7.919 -7.920 9.294 1.00 0.00 C ATOM 865 O GLU A 58 -8.841 -8.522 8.750 1.00 0.00 O ATOM 866 CB GLU A 58 -8.754 -6.775 11.362 1.00 0.00 C ATOM 867 CG GLU A 58 -10.169 -7.288 11.658 1.00 0.00 C ATOM 868 CD GLU A 58 -10.232 -8.205 12.890 1.00 0.00 C ATOM 869 OE1 GLU A 58 -9.542 -7.893 13.888 1.00 0.00 O ATOM 870 OE2 GLU A 58 -11.045 -9.153 12.841 1.00 0.00 O ATOM 0 H GLU A 58 -6.305 -6.578 11.475 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.105 -8.857 11.194 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.328 -6.352 12.272 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.811 -5.968 10.632 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.833 -6.437 11.811 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.542 -7.831 10.789 1.00 0.00 H new ATOM 877 N TYR A 59 -7.046 -7.154 8.641 1.00 0.00 N ATOM 878 CA TYR A 59 -7.007 -7.033 7.171 1.00 0.00 C ATOM 879 C TYR A 59 -5.880 -7.815 6.465 1.00 0.00 C ATOM 880 O TYR A 59 -5.951 -8.015 5.255 1.00 0.00 O ATOM 881 CB TYR A 59 -6.932 -5.551 6.779 1.00 0.00 C ATOM 882 CG TYR A 59 -8.210 -4.743 7.047 1.00 0.00 C ATOM 883 CD1 TYR A 59 -8.545 -4.325 8.329 1.00 0.00 C ATOM 884 CD2 TYR A 59 -9.017 -4.374 5.978 1.00 0.00 C ATOM 885 CE1 TYR A 59 -9.683 -3.558 8.543 1.00 0.00 C ATOM 886 CE2 TYR A 59 -10.149 -3.599 6.183 1.00 0.00 C ATOM 887 CZ TYR A 59 -10.492 -3.201 7.467 1.00 0.00 C ATOM 888 OH TYR A 59 -11.649 -2.520 7.678 1.00 0.00 O ATOM 0 H TYR A 59 -6.338 -6.593 9.114 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.931 -7.495 6.823 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.107 -5.089 7.321 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.693 -5.483 5.718 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.917 -4.598 9.164 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.761 -4.693 4.979 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.940 -3.239 9.542 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.763 -3.306 5.344 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.382 -2.965 7.203 1.00 0.00 H new ATOM 898 N GLN A 60 -4.847 -8.206 7.218 1.00 0.00 N ATOM 899 CA GLN A 60 -3.593 -8.862 6.772 1.00 0.00 C ATOM 900 C GLN A 60 -2.685 -8.077 5.802 1.00 0.00 C ATOM 901 O GLN A 60 -1.489 -7.966 6.054 1.00 0.00 O ATOM 902 CB GLN A 60 -3.856 -10.275 6.231 1.00 0.00 C ATOM 903 CG GLN A 60 -2.993 -11.338 6.926 1.00 0.00 C ATOM 904 CD GLN A 60 -1.491 -11.186 6.652 1.00 0.00 C ATOM 905 OE1 GLN A 60 -0.957 -11.640 5.650 1.00 0.00 O ATOM 906 NE2 GLN A 60 -0.779 -10.539 7.550 1.00 0.00 N ATOM 0 H GLN A 60 -4.856 -8.067 8.228 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.013 -8.904 7.694 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.909 -10.522 6.364 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.658 -10.294 5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.165 -11.287 8.001 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.315 -12.326 6.598 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.230 -10.163 8.384 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.224 -10.414 7.412 1.00 0.00 H new ATOM 915 N VAL A 61 -3.304 -7.368 4.858 1.00 0.00 N ATOM 916 CA VAL A 61 -2.683 -6.563 3.771 1.00 0.00 C ATOM 917 C VAL A 61 -1.568 -5.584 4.220 1.00 0.00 C ATOM 918 O VAL A 61 -0.701 -5.243 3.420 1.00 0.00 O ATOM 919 CB VAL A 61 -3.803 -5.853 2.968 1.00 0.00 C ATOM 920 CG1 VAL A 61 -3.295 -5.007 1.791 1.00 0.00 C ATOM 921 CG2 VAL A 61 -4.822 -6.849 2.400 1.00 0.00 C ATOM 0 H VAL A 61 -4.322 -7.329 4.817 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.147 -7.263 3.130 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.265 -5.193 3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.141 -4.545 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.627 -4.230 2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.755 -5.645 1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.589 -6.308 1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.316 -7.547 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.287 -7.400 3.218 1.00 0.00 H new ATOM 931 N GLU A 62 -1.589 -5.203 5.501 1.00 0.00 N ATOM 932 CA GLU A 62 -0.648 -4.289 6.195 1.00 0.00 C ATOM 933 C GLU A 62 -0.547 -2.858 5.637 1.00 0.00 C ATOM 934 O GLU A 62 -0.860 -2.582 4.483 1.00 0.00 O ATOM 935 CB GLU A 62 0.750 -4.897 6.428 1.00 0.00 C ATOM 936 CG GLU A 62 1.674 -5.002 5.208 1.00 0.00 C ATOM 937 CD GLU A 62 3.077 -5.471 5.592 1.00 0.00 C ATOM 938 OE1 GLU A 62 3.870 -4.587 5.991 1.00 0.00 O ATOM 939 OE2 GLU A 62 3.351 -6.679 5.432 1.00 0.00 O ATOM 0 H GLU A 62 -2.312 -5.544 6.134 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.131 -4.174 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.257 -4.301 7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.620 -5.897 6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.244 -5.697 4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.738 -4.031 4.717 1.00 0.00 H new ATOM 946 N LEU A 63 -0.197 -1.953 6.556 1.00 0.00 N ATOM 947 CA LEU A 63 0.073 -0.517 6.307 1.00 0.00 C ATOM 948 C LEU A 63 -1.145 0.319 5.846 1.00 0.00 C ATOM 949 O LEU A 63 -2.097 -0.224 5.284 1.00 0.00 O ATOM 950 CB LEU A 63 1.255 -0.365 5.331 1.00 0.00 C ATOM 951 CG LEU A 63 2.575 -0.928 5.884 1.00 0.00 C ATOM 952 CD1 LEU A 63 3.617 -0.975 4.767 1.00 0.00 C ATOM 953 CD2 LEU A 63 3.105 -0.089 7.052 1.00 0.00 C ATOM 0 H LEU A 63 -0.087 -2.203 7.539 1.00 0.00 H new ATOM 0 HA LEU A 63 0.330 -0.097 7.279 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.014 -0.873 4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.389 0.691 5.094 1.00 0.00 H new ATOM 0 HG LEU A 63 2.382 -1.933 6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.553 -1.374 5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.258 -1.616 3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.784 0.031 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.039 -0.519 7.415 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.283 0.932 6.715 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.371 -0.083 7.858 1.00 0.00 H new ATOM 965 N PRO A 64 -1.186 1.624 6.169 1.00 0.00 N ATOM 966 CA PRO A 64 -2.293 2.503 5.740 1.00 0.00 C ATOM 967 C PRO A 64 -2.268 2.712 4.218 1.00 0.00 C ATOM 968 O PRO A 64 -1.357 2.254 3.531 1.00 0.00 O ATOM 969 CB PRO A 64 -2.073 3.804 6.514 1.00 0.00 C ATOM 970 CG PRO A 64 -0.555 3.875 6.658 1.00 0.00 C ATOM 971 CD PRO A 64 -0.153 2.415 6.873 1.00 0.00 C ATOM 0 HA PRO A 64 -3.275 2.080 5.950 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.466 4.665 5.974 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.569 3.783 7.485 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.086 4.295 5.768 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.260 4.502 7.500 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.840 2.216 6.469 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.121 2.167 7.934 1.00 0.00 H new ATOM 979 N LEU A 65 -3.314 3.371 3.717 1.00 0.00 N ATOM 980 CA LEU A 65 -3.542 3.695 2.288 1.00 0.00 C ATOM 981 C LEU A 65 -3.878 2.481 1.399 1.00 0.00 C ATOM 982 O LEU A 65 -4.856 2.570 0.657 1.00 0.00 O ATOM 983 CB LEU A 65 -2.383 4.545 1.730 1.00 0.00 C ATOM 984 CG LEU A 65 -2.638 5.208 0.371 1.00 0.00 C ATOM 985 CD1 LEU A 65 -1.827 6.501 0.287 1.00 0.00 C ATOM 986 CD2 LEU A 65 -2.232 4.299 -0.794 1.00 0.00 C ATOM 0 H LEU A 65 -4.066 3.714 4.315 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.451 4.296 2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.147 5.324 2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.501 3.911 1.644 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.707 5.408 0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.003 6.979 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.133 7.175 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.766 6.273 0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.429 4.807 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.169 4.068 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.808 3.375 -0.752 1.00 0.00 H new ATOM 998 N LYS A 66 -3.198 1.358 1.631 1.00 0.00 N ATOM 999 CA LYS A 66 -3.359 0.056 0.938 1.00 0.00 C ATOM 1000 C LYS A 66 -4.840 -0.386 0.856 1.00 0.00 C ATOM 1001 O LYS A 66 -5.589 0.105 0.010 1.00 0.00 O ATOM 1002 CB LYS A 66 -2.497 -0.977 1.688 1.00 0.00 C ATOM 1003 CG LYS A 66 -0.987 -0.720 1.666 1.00 0.00 C ATOM 1004 CD LYS A 66 -0.317 -1.391 0.467 1.00 0.00 C ATOM 1005 CE LYS A 66 1.201 -1.226 0.542 1.00 0.00 C ATOM 1006 NZ LYS A 66 1.870 -2.051 -0.476 1.00 0.00 N ATOM 0 H LYS A 66 -2.474 1.318 2.348 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.027 0.146 -0.096 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.826 -1.013 2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.686 -1.961 1.259 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.801 0.354 1.633 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.541 -1.093 2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.573 -2.450 0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.691 -0.953 -0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.464 -0.178 0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.553 -1.509 1.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.900 -1.922 -0.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.635 -3.052 -0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.549 -1.763 -1.422 1.00 0.00 H new ATOM 1020 N VAL A 67 -5.298 -1.165 1.835 1.00 0.00 N ATOM 1021 CA VAL A 67 -6.726 -1.508 1.991 1.00 0.00 C ATOM 1022 C VAL A 67 -7.415 -0.440 2.872 1.00 0.00 C ATOM 1023 O VAL A 67 -7.805 -0.656 4.018 1.00 0.00 O ATOM 1024 CB VAL A 67 -6.855 -2.983 2.431 1.00 0.00 C ATOM 1025 CG1 VAL A 67 -6.273 -3.286 3.814 1.00 0.00 C ATOM 1026 CG2 VAL A 67 -8.288 -3.500 2.309 1.00 0.00 C ATOM 0 H VAL A 67 -4.696 -1.580 2.546 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.276 -1.468 1.051 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.233 -3.532 1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.407 -4.344 4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.210 -3.045 3.822 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.787 -2.686 4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.328 -4.541 2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.946 -2.901 2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.614 -3.427 1.271 1.00 0.00 H new ATOM 1036 N LEU A 68 -7.381 0.774 2.325 1.00 0.00 N ATOM 1037 CA LEU A 68 -7.885 1.998 2.987 1.00 0.00 C ATOM 1038 C LEU A 68 -8.236 3.118 1.990 1.00 0.00 C ATOM 1039 O LEU A 68 -9.403 3.282 1.662 1.00 0.00 O ATOM 1040 CB LEU A 68 -6.886 2.447 4.070 1.00 0.00 C ATOM 1041 CG LEU A 68 -7.329 3.655 4.906 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -8.609 3.380 5.701 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.185 4.051 5.840 1.00 0.00 C ATOM 0 H LEU A 68 -6.999 0.948 1.396 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.831 1.760 3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.701 1.609 4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.937 2.686 3.590 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.562 4.476 4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.878 4.267 6.275 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.418 3.133 5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.443 2.544 6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.486 4.909 6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.945 3.215 6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.307 4.312 5.249 1.00 0.00 H new ATOM 1055 N PHE A 69 -7.230 3.814 1.461 1.00 0.00 N ATOM 1056 CA PHE A 69 -7.425 4.921 0.497 1.00 0.00 C ATOM 1057 C PHE A 69 -7.727 4.418 -0.923 1.00 0.00 C ATOM 1058 O PHE A 69 -8.602 4.955 -1.595 1.00 0.00 O ATOM 1059 CB PHE A 69 -6.201 5.843 0.453 1.00 0.00 C ATOM 1060 CG PHE A 69 -6.067 6.791 1.651 1.00 0.00 C ATOM 1061 CD1 PHE A 69 -5.799 6.311 2.928 1.00 0.00 C ATOM 1062 CD2 PHE A 69 -6.065 8.162 1.425 1.00 0.00 C ATOM 1063 CE1 PHE A 69 -5.519 7.190 3.968 1.00 0.00 C ATOM 1064 CE2 PHE A 69 -5.783 9.043 2.461 1.00 0.00 C ATOM 1065 CZ PHE A 69 -5.507 8.559 3.734 1.00 0.00 C ATOM 0 H PHE A 69 -6.251 3.633 1.683 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.290 5.480 0.853 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.303 5.229 0.391 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.244 6.437 -0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.808 5.247 3.113 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.284 8.544 0.439 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.311 6.809 4.957 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.778 10.107 2.277 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.284 9.245 4.538 1.00 0.00 H new ATOM 1075 N ALA A 70 -7.013 3.370 -1.343 1.00 0.00 N ATOM 1076 CA ALA A 70 -7.242 2.694 -2.639 1.00 0.00 C ATOM 1077 C ALA A 70 -8.650 2.078 -2.774 1.00 0.00 C ATOM 1078 O ALA A 70 -9.110 1.809 -3.881 1.00 0.00 O ATOM 1079 CB ALA A 70 -6.156 1.638 -2.854 1.00 0.00 C ATOM 0 H ALA A 70 -6.255 2.959 -0.797 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.184 3.454 -3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.320 1.137 -3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.178 2.118 -2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.196 0.906 -2.048 1.00 0.00 H new ATOM 1085 N GLN A 71 -9.190 1.607 -1.649 1.00 0.00 N ATOM 1086 CA GLN A 71 -10.619 1.248 -1.536 1.00 0.00 C ATOM 1087 C GLN A 71 -11.290 1.838 -0.272 1.00 0.00 C ATOM 1088 O GLN A 71 -11.560 1.107 0.682 1.00 0.00 O ATOM 1089 CB GLN A 71 -10.848 -0.266 -1.711 1.00 0.00 C ATOM 1090 CG GLN A 71 -10.011 -1.205 -0.826 1.00 0.00 C ATOM 1091 CD GLN A 71 -8.632 -1.617 -1.366 1.00 0.00 C ATOM 1092 OE1 GLN A 71 -7.929 -2.402 -0.755 1.00 0.00 O ATOM 1093 NE2 GLN A 71 -8.181 -1.104 -2.492 1.00 0.00 N ATOM 0 H GLN A 71 -8.659 1.461 -0.790 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.132 1.725 -2.371 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.902 -0.473 -1.523 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.654 -0.520 -2.753 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.867 -0.723 0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.591 -2.111 -0.647 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.755 -0.445 -3.018 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.258 -1.366 -2.838 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.707 3.116 -0.325 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.212 3.864 0.850 1.00 0.00 C ATOM 1104 C PRO A 72 -13.661 3.561 1.283 1.00 0.00 C ATOM 1105 O PRO A 72 -14.283 4.341 2.003 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.001 5.323 0.445 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.284 5.311 -1.056 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.688 3.982 -1.522 1.00 0.00 C ATOM 0 HA PRO A 72 -11.677 3.570 1.753 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.678 5.991 0.977 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.987 5.659 0.661 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.353 5.366 -1.263 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.818 6.158 -1.559 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.274 3.549 -2.332 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.673 4.114 -1.898 1.00 0.00 H new ATOM 1116 N THR A 73 -14.067 2.320 1.034 1.00 0.00 N ATOM 1117 CA THR A 73 -15.433 1.802 1.268 1.00 0.00 C ATOM 1118 C THR A 73 -15.360 0.380 1.832 1.00 0.00 C ATOM 1119 O THR A 73 -14.727 -0.496 1.238 1.00 0.00 O ATOM 1120 CB THR A 73 -16.318 1.859 0.001 1.00 0.00 C ATOM 1121 OG1 THR A 73 -17.544 1.147 0.210 1.00 0.00 O ATOM 1122 CG2 THR A 73 -15.639 1.366 -1.285 1.00 0.00 C ATOM 0 H THR A 73 -13.440 1.613 0.650 1.00 0.00 H new ATOM 0 HA THR A 73 -15.912 2.453 2.000 1.00 0.00 H new ATOM 0 HB THR A 73 -16.515 2.919 -0.157 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.866 1.311 1.121 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.337 1.444 -2.118 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.760 1.977 -1.490 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.337 0.326 -1.161 1.00 0.00 H new ATOM 1130 N ILE A 74 -16.116 0.150 2.902 1.00 0.00 N ATOM 1131 CA ILE A 74 -16.165 -1.161 3.583 1.00 0.00 C ATOM 1132 C ILE A 74 -16.733 -2.290 2.691 1.00 0.00 C ATOM 1133 O ILE A 74 -16.318 -3.440 2.819 1.00 0.00 O ATOM 1134 CB ILE A 74 -16.765 -1.010 5.000 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -16.052 -1.880 6.052 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -18.289 -1.137 5.071 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -16.084 -3.405 5.880 1.00 0.00 C ATOM 0 H ILE A 74 -16.714 0.858 3.328 1.00 0.00 H new ATOM 0 HA ILE A 74 -15.150 -1.519 3.753 1.00 0.00 H new ATOM 0 HB ILE A 74 -16.564 0.029 5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.007 -1.571 6.085 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.485 -1.646 7.025 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.616 -1.017 6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.748 -0.365 4.453 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.590 -2.119 4.707 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.539 -3.875 6.699 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.118 -3.750 5.886 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -15.617 -3.674 4.932 1.00 0.00 H new ATOM 1149 N LYS A 75 -17.492 -1.908 1.664 1.00 0.00 N ATOM 1150 CA LYS A 75 -17.935 -2.824 0.591 1.00 0.00 C ATOM 1151 C LYS A 75 -16.718 -3.483 -0.094 1.00 0.00 C ATOM 1152 O LYS A 75 -16.532 -4.697 -0.020 1.00 0.00 O ATOM 1153 CB LYS A 75 -18.825 -2.027 -0.376 1.00 0.00 C ATOM 1154 CG LYS A 75 -19.382 -2.815 -1.571 1.00 0.00 C ATOM 1155 CD LYS A 75 -18.522 -2.697 -2.838 1.00 0.00 C ATOM 1156 CE LYS A 75 -18.568 -1.287 -3.441 1.00 0.00 C ATOM 1157 NZ LYS A 75 -17.750 -1.194 -4.658 1.00 0.00 N ATOM 0 H LYS A 75 -17.823 -0.951 1.544 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.524 -3.648 0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -19.663 -1.615 0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -18.251 -1.183 -0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -19.466 -3.866 -1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.389 -2.462 -1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.490 -2.955 -2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -18.868 -3.418 -3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.600 -1.023 -3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -18.212 -0.564 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.804 -0.228 -5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.761 -1.422 -4.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.105 -1.866 -5.367 1.00 0.00 H new ATOM 1171 N ALA A 76 -15.816 -2.645 -0.598 1.00 0.00 N ATOM 1172 CA ALA A 76 -14.553 -3.107 -1.203 1.00 0.00 C ATOM 1173 C ALA A 76 -13.557 -3.666 -0.171 1.00 0.00 C ATOM 1174 O ALA A 76 -13.023 -4.751 -0.390 1.00 0.00 O ATOM 1175 CB ALA A 76 -13.936 -1.981 -2.031 1.00 0.00 C ATOM 0 H ALA A 76 -15.931 -1.632 -0.603 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.790 -3.944 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -13.003 -2.326 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.628 -1.688 -2.820 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.736 -1.124 -1.388 1.00 0.00 H new ATOM 1181 N LEU A 77 -13.488 -3.045 1.011 1.00 0.00 N ATOM 1182 CA LEU A 77 -12.654 -3.525 2.138 1.00 0.00 C ATOM 1183 C LEU A 77 -12.952 -4.990 2.511 1.00 0.00 C ATOM 1184 O LEU A 77 -12.055 -5.829 2.471 1.00 0.00 O ATOM 1185 CB LEU A 77 -12.830 -2.651 3.392 1.00 0.00 C ATOM 1186 CG LEU A 77 -12.403 -1.182 3.257 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -12.727 -0.427 4.548 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -10.907 -1.041 2.982 1.00 0.00 C ATOM 0 H LEU A 77 -14.007 -2.193 1.222 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.624 -3.455 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.880 -2.678 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.261 -3.100 4.206 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.953 -0.766 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.422 0.615 4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.799 -0.474 4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.191 -0.883 5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.651 0.015 2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.343 -1.484 3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.658 -1.553 2.053 1.00 0.00 H new ATOM 1200 N ALA A 78 -14.240 -5.312 2.663 1.00 0.00 N ATOM 1201 CA ALA A 78 -14.703 -6.687 2.947 1.00 0.00 C ATOM 1202 C ALA A 78 -14.344 -7.690 1.839 1.00 0.00 C ATOM 1203 O ALA A 78 -13.828 -8.757 2.152 1.00 0.00 O ATOM 1204 CB ALA A 78 -16.210 -6.710 3.203 1.00 0.00 C ATOM 0 H ALA A 78 -14.997 -4.631 2.594 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.174 -7.003 3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.528 -7.732 3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.443 -6.077 4.059 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.734 -6.338 2.323 1.00 0.00 H new ATOM 1210 N GLN A 79 -14.480 -7.279 0.580 1.00 0.00 N ATOM 1211 CA GLN A 79 -14.073 -8.084 -0.594 1.00 0.00 C ATOM 1212 C GLN A 79 -12.553 -8.300 -0.738 1.00 0.00 C ATOM 1213 O GLN A 79 -12.104 -9.306 -1.284 1.00 0.00 O ATOM 1214 CB GLN A 79 -14.696 -7.472 -1.852 1.00 0.00 C ATOM 1215 CG GLN A 79 -15.975 -8.208 -2.283 1.00 0.00 C ATOM 1216 CD GLN A 79 -17.086 -8.356 -1.230 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -17.646 -9.423 -1.027 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -17.473 -7.302 -0.545 1.00 0.00 N ATOM 0 H GLN A 79 -14.878 -6.373 0.333 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.455 -9.093 -0.441 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.927 -6.423 -1.667 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -13.971 -7.500 -2.665 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -16.392 -7.686 -3.144 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -15.694 -9.205 -2.621 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -17.020 -6.401 -0.697 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -18.226 -7.386 0.138 1.00 0.00 H new ATOM 1227 N TYR A 80 -11.783 -7.303 -0.310 1.00 0.00 N ATOM 1228 CA TYR A 80 -10.317 -7.393 -0.151 1.00 0.00 C ATOM 1229 C TYR A 80 -9.828 -8.260 1.027 1.00 0.00 C ATOM 1230 O TYR A 80 -8.662 -8.647 1.064 1.00 0.00 O ATOM 1231 CB TYR A 80 -9.722 -5.987 -0.064 1.00 0.00 C ATOM 1232 CG TYR A 80 -9.318 -5.455 -1.441 1.00 0.00 C ATOM 1233 CD1 TYR A 80 -10.262 -4.914 -2.305 1.00 0.00 C ATOM 1234 CD2 TYR A 80 -7.981 -5.497 -1.817 1.00 0.00 C ATOM 1235 CE1 TYR A 80 -9.871 -4.396 -3.533 1.00 0.00 C ATOM 1236 CE2 TYR A 80 -7.585 -4.980 -3.043 1.00 0.00 C ATOM 1237 CZ TYR A 80 -8.529 -4.424 -3.897 1.00 0.00 C ATOM 1238 OH TYR A 80 -8.128 -3.844 -5.057 1.00 0.00 O ATOM 0 H TYR A 80 -12.158 -6.389 -0.057 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.960 -7.914 -1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -10.449 -5.312 0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.850 -6.001 0.590 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -11.304 -4.896 -2.021 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -7.248 -5.933 -1.154 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.606 -3.973 -4.202 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -6.545 -5.010 -3.332 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.159 -3.953 -5.159 1.00 0.00 H new ATOM 1248 N VAL A 81 -10.689 -8.470 2.022 1.00 0.00 N ATOM 1249 CA VAL A 81 -10.352 -9.329 3.181 1.00 0.00 C ATOM 1250 C VAL A 81 -11.113 -10.666 3.256 1.00 0.00 C ATOM 1251 O VAL A 81 -10.585 -11.687 2.819 1.00 0.00 O ATOM 1252 CB VAL A 81 -10.315 -8.566 4.521 1.00 0.00 C ATOM 1253 CG1 VAL A 81 -9.175 -7.551 4.475 1.00 0.00 C ATOM 1254 CG2 VAL A 81 -11.616 -7.853 4.909 1.00 0.00 C ATOM 0 H VAL A 81 -11.624 -8.064 2.059 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.324 -9.633 2.982 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.165 -9.323 5.291 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.137 -7.004 5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.230 -8.072 4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.343 -6.852 3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -11.483 -7.348 5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -11.871 -7.119 4.144 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -12.420 -8.584 4.993 1.00 0.00 H new ATOM 1264 N ALA A 82 -12.414 -10.596 3.528 1.00 0.00 N ATOM 1265 CA ALA A 82 -13.308 -11.758 3.715 1.00 0.00 C ATOM 1266 C ALA A 82 -13.820 -12.311 2.366 1.00 0.00 C ATOM 1267 O ALA A 82 -15.010 -12.345 2.051 1.00 0.00 O ATOM 1268 CB ALA A 82 -14.448 -11.332 4.649 1.00 0.00 C ATOM 0 H ALA A 82 -12.900 -9.705 3.629 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.760 -12.582 4.171 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.124 -12.173 4.804 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.035 -11.017 5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.996 -10.504 4.200 1.00 0.00 H new ATOM 1274 N THR A 83 -12.838 -12.639 1.537 1.00 0.00 N ATOM 1275 CA THR A 83 -12.998 -13.185 0.170 1.00 0.00 C ATOM 1276 C THR A 83 -11.720 -13.958 -0.210 1.00 0.00 C ATOM 1277 O THR A 83 -11.790 -15.165 -0.421 1.00 0.00 O ATOM 1278 CB THR A 83 -13.316 -12.076 -0.854 1.00 0.00 C ATOM 1279 OG1 THR A 83 -14.461 -11.334 -0.426 1.00 0.00 O ATOM 1280 CG2 THR A 83 -13.585 -12.623 -2.260 1.00 0.00 C ATOM 0 H THR A 83 -11.858 -12.532 1.799 1.00 0.00 H new ATOM 0 HA THR A 83 -13.848 -13.867 0.155 1.00 0.00 H new ATOM 0 HB THR A 83 -12.434 -11.438 -0.906 1.00 0.00 H new ATOM 0 HG1 THR A 83 -15.026 -11.129 -1.200 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.803 -11.796 -2.936 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.706 -13.161 -2.615 1.00 0.00 H new ATOM 0 HG23 THR A 83 -14.438 -13.301 -2.230 1.00 0.00 H new ATOM 1288 N ARG A 84 -10.579 -13.265 -0.250 1.00 0.00 N ATOM 1289 CA ARG A 84 -9.273 -13.920 -0.502 1.00 0.00 C ATOM 1290 C ARG A 84 -8.387 -14.143 0.743 1.00 0.00 C ATOM 1291 O ARG A 84 -7.670 -15.135 0.813 1.00 0.00 O ATOM 1292 CB ARG A 84 -8.491 -13.226 -1.634 1.00 0.00 C ATOM 1293 CG ARG A 84 -7.914 -11.834 -1.330 1.00 0.00 C ATOM 1294 CD ARG A 84 -8.957 -10.714 -1.247 1.00 0.00 C ATOM 1295 NE ARG A 84 -9.523 -10.335 -2.558 1.00 0.00 N ATOM 1296 CZ ARG A 84 -8.879 -9.745 -3.568 1.00 0.00 C ATOM 1297 NH1 ARG A 84 -7.717 -9.125 -3.401 1.00 0.00 N ATOM 1298 NH2 ARG A 84 -9.509 -9.548 -4.717 1.00 0.00 N ATOM 0 H ARG A 84 -10.523 -12.256 -0.113 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.542 -14.925 -0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.668 -13.878 -1.926 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.150 -13.139 -2.497 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.372 -11.878 -0.385 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.188 -11.580 -2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.766 -11.031 -0.589 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.500 -9.836 -0.790 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.510 -10.546 -2.707 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.287 -9.088 -2.477 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.254 -8.686 -4.197 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.478 -9.846 -4.825 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.025 -9.098 -5.494 1.00 0.00 H new ATOM 1312 N SER A 85 -8.471 -13.233 1.717 1.00 0.00 N ATOM 1313 CA SER A 85 -7.760 -13.271 3.024 1.00 0.00 C ATOM 1314 C SER A 85 -6.222 -13.352 2.960 1.00 0.00 C ATOM 1315 O SER A 85 -5.676 -14.475 2.849 1.00 0.00 O ATOM 1316 CB SER A 85 -8.328 -14.371 3.929 1.00 0.00 C ATOM 1317 OG SER A 85 -7.783 -14.245 5.245 1.00 0.00 O ATOM 1318 OXT SER A 85 -5.617 -12.258 2.970 1.00 99.99 O ATOM 0 H SER A 85 -9.061 -12.406 1.624 1.00 0.00 H new ATOM 0 HA SER A 85 -7.957 -12.291 3.458 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.415 -14.298 3.967 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.088 -15.352 3.519 1.00 0.00 H new ATOM 0 HG SER A 85 -8.150 -14.949 5.820 1.00 0.00 H new TER 1324 SER A 85