USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 847 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 HIS : no HD1:sc= -0.0113 K(o=-0.052,f=-0.82) USER MOD Set 1.2: A 59 HIS : no HE2:sc= -0.0406 K(o=-0.052,f=-0.82) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.11 (180deg=-0.506) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.00633 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.17) USER MOD Single : A 4 HIS : no HD1:sc=-0.00406 X(o=-0.0041,f=-0.32) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 8 HIS : no HD1:sc= -0.0028 X(o=-0.0028,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.165 X(o=-0.17,f=-0.29) USER MOD Single : A 11 MET CE :methyl -172:sc= 0 (180deg=-0.00144) USER MOD Single : A 12 SER OG : rot 105:sc= 0.381 USER MOD Single : A 14 TYR OH : rot 21:sc= 1.33 USER MOD Single : A 15 HIS : no HD1:sc= -0.478 K(o=-0.48,f=-1) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0409 USER MOD Single : A 35 SER OG : rot -90:sc= -0.696 USER MOD Single : A 41 SER OG : rot -172:sc= 0.0682 USER MOD Single : A 43 SER OG : rot 71:sc= 0.193 USER MOD Single : A 51 CYS SG : rot 140:sc= -1.6 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 150:sc= 0 USER MOD Single : A 61 TYR OH : rot -30:sc= 0.0959 USER MOD Single : A 74 GLN : amide:sc= -0.225 K(o=-0.23,f=-1.2) USER MOD Single : A 75 THR OG1 : rot 130:sc= 0.105 USER MOD Single : A 76 SER OG : rot -24:sc= 0.608 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 85 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.204 K(o=-0.2,f=-2.5!) USER MOD Single : A 98 ASN : amide:sc= -0.0649 K(o=-0.065,f=-2!) USER MOD Single : A 99 GLN : amide:sc= -0.221 K(o=-0.22,f=-3.9!) USER MOD Single : A 103 CYS SG : rot -66:sc= -2.19! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.974 -6.516 -44.695 1.00 0.00 N ATOM 2 CA MET A 1 1.463 -5.142 -44.488 1.00 0.00 C ATOM 3 C MET A 1 0.796 -5.047 -43.103 1.00 0.00 C ATOM 4 O MET A 1 0.029 -5.938 -42.720 1.00 0.00 O ATOM 5 CB MET A 1 0.475 -4.761 -45.624 1.00 0.00 C ATOM 6 CG MET A 1 -0.099 -3.337 -45.541 1.00 0.00 C ATOM 7 SD MET A 1 -1.106 -2.887 -46.973 1.00 0.00 S ATOM 8 CE MET A 1 0.104 -2.926 -48.305 1.00 0.00 C ATOM 0 H1 MET A 1 1.750 -6.828 -45.662 1.00 0.00 H new ATOM 0 H2 MET A 1 3.005 -6.527 -44.557 1.00 0.00 H new ATOM 0 H3 MET A 1 1.526 -7.160 -44.012 1.00 0.00 H new ATOM 0 HA MET A 1 2.290 -4.433 -44.520 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.985 -4.875 -46.581 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.353 -5.470 -45.617 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.704 -3.249 -44.638 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.722 -2.627 -45.446 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.273 -2.359 -49.156 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.039 -2.484 -47.960 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.280 -3.959 -48.606 1.00 0.00 H new ATOM 20 N GLY A 2 1.102 -3.962 -42.363 1.00 0.00 N ATOM 21 CA GLY A 2 0.636 -3.774 -40.985 1.00 0.00 C ATOM 22 C GLY A 2 1.691 -4.199 -39.984 1.00 0.00 C ATOM 23 O GLY A 2 1.481 -5.141 -39.212 1.00 0.00 O ATOM 0 H GLY A 2 1.679 -3.195 -42.709 1.00 0.00 H new ATOM 0 HA2 GLY A 2 0.381 -2.726 -40.825 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.274 -4.352 -40.825 1.00 0.00 H new ATOM 27 N HIS A 3 2.854 -3.512 -40.022 1.00 0.00 N ATOM 28 CA HIS A 3 4.002 -3.833 -39.153 1.00 0.00 C ATOM 29 C HIS A 3 3.705 -3.455 -37.676 1.00 0.00 C ATOM 30 O HIS A 3 4.002 -2.350 -37.225 1.00 0.00 O ATOM 31 CB HIS A 3 5.329 -3.196 -39.693 1.00 0.00 C ATOM 32 CG HIS A 3 5.350 -1.684 -39.857 1.00 0.00 C ATOM 33 ND1 HIS A 3 4.951 -1.043 -41.013 1.00 0.00 N ATOM 34 CD2 HIS A 3 5.760 -0.695 -39.018 1.00 0.00 C ATOM 35 CE1 HIS A 3 5.116 0.257 -40.875 1.00 0.00 C ATOM 36 NE2 HIS A 3 5.599 0.494 -39.678 1.00 0.00 N ATOM 0 H HIS A 3 3.020 -2.726 -40.651 1.00 0.00 H new ATOM 0 HA HIS A 3 4.155 -4.912 -39.175 1.00 0.00 H new ATOM 0 HB2 HIS A 3 6.138 -3.475 -39.018 1.00 0.00 H new ATOM 0 HB3 HIS A 3 5.552 -3.645 -40.661 1.00 0.00 H new ATOM 0 HD2 HIS A 3 6.142 -0.824 -38.016 1.00 0.00 H new ATOM 0 HE1 HIS A 3 4.891 1.003 -41.623 1.00 0.00 H new ATOM 0 HE2 HIS A 3 5.819 1.415 -39.300 1.00 0.00 H new ATOM 45 N HIS A 4 3.059 -4.392 -36.952 1.00 0.00 N ATOM 46 CA HIS A 4 2.698 -4.236 -35.540 1.00 0.00 C ATOM 47 C HIS A 4 2.216 -5.590 -34.991 1.00 0.00 C ATOM 48 O HIS A 4 1.081 -6.003 -35.245 1.00 0.00 O ATOM 49 CB HIS A 4 1.602 -3.148 -35.349 1.00 0.00 C ATOM 50 CG HIS A 4 1.179 -2.945 -33.921 1.00 0.00 C ATOM 51 ND1 HIS A 4 -0.063 -3.291 -33.443 1.00 0.00 N ATOM 52 CD2 HIS A 4 1.854 -2.446 -32.864 1.00 0.00 C ATOM 53 CE1 HIS A 4 -0.130 -3.021 -32.159 1.00 0.00 C ATOM 54 NE2 HIS A 4 1.022 -2.506 -31.781 1.00 0.00 N ATOM 0 H HIS A 4 2.772 -5.289 -37.344 1.00 0.00 H new ATOM 0 HA HIS A 4 3.579 -3.908 -34.988 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.972 -2.202 -35.745 1.00 0.00 H new ATOM 0 HB3 HIS A 4 0.728 -3.421 -35.940 1.00 0.00 H new ATOM 0 HD2 HIS A 4 2.866 -2.069 -32.872 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -0.985 -3.192 -31.521 1.00 0.00 H new ATOM 0 HE2 HIS A 4 1.255 -2.202 -30.836 1.00 0.00 H new ATOM 63 N HIS A 5 3.105 -6.287 -34.268 1.00 0.00 N ATOM 64 CA HIS A 5 2.796 -7.575 -33.607 1.00 0.00 C ATOM 65 C HIS A 5 3.132 -7.513 -32.105 1.00 0.00 C ATOM 66 O HIS A 5 3.187 -8.545 -31.432 1.00 0.00 O ATOM 67 CB HIS A 5 3.521 -8.757 -34.319 1.00 0.00 C ATOM 68 CG HIS A 5 5.028 -8.654 -34.408 1.00 0.00 C ATOM 69 ND1 HIS A 5 5.690 -8.444 -35.597 1.00 0.00 N ATOM 70 CD2 HIS A 5 5.999 -8.770 -33.462 1.00 0.00 C ATOM 71 CE1 HIS A 5 6.991 -8.438 -35.385 1.00 0.00 C ATOM 72 NE2 HIS A 5 7.206 -8.631 -34.101 1.00 0.00 N ATOM 0 H HIS A 5 4.065 -5.976 -34.121 1.00 0.00 H new ATOM 0 HA HIS A 5 1.725 -7.758 -33.693 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.270 -9.679 -33.795 1.00 0.00 H new ATOM 0 HB3 HIS A 5 3.122 -8.846 -35.330 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.848 -8.940 -32.406 1.00 0.00 H new ATOM 0 HE1 HIS A 5 7.752 -8.298 -36.138 1.00 0.00 H new ATOM 0 HE2 HIS A 5 8.122 -8.671 -33.653 1.00 0.00 H new ATOM 81 N HIS A 6 3.358 -6.289 -31.592 1.00 0.00 N ATOM 82 CA HIS A 6 3.555 -6.043 -30.155 1.00 0.00 C ATOM 83 C HIS A 6 2.222 -5.599 -29.527 1.00 0.00 C ATOM 84 O HIS A 6 1.764 -4.471 -29.740 1.00 0.00 O ATOM 85 CB HIS A 6 4.664 -4.984 -29.910 1.00 0.00 C ATOM 86 CG HIS A 6 4.856 -4.581 -28.459 1.00 0.00 C ATOM 87 ND1 HIS A 6 5.061 -3.277 -28.060 1.00 0.00 N ATOM 88 CD2 HIS A 6 4.873 -5.321 -27.320 1.00 0.00 C ATOM 89 CE1 HIS A 6 5.201 -3.235 -26.748 1.00 0.00 C ATOM 90 NE2 HIS A 6 5.089 -4.460 -26.275 1.00 0.00 N ATOM 0 H HIS A 6 3.409 -5.445 -32.163 1.00 0.00 H new ATOM 0 HA HIS A 6 3.884 -6.968 -29.682 1.00 0.00 H new ATOM 0 HB2 HIS A 6 5.608 -5.373 -30.291 1.00 0.00 H new ATOM 0 HB3 HIS A 6 4.429 -4.092 -30.491 1.00 0.00 H new ATOM 0 HD2 HIS A 6 4.741 -6.391 -27.250 1.00 0.00 H new ATOM 0 HE1 HIS A 6 5.378 -2.346 -26.161 1.00 0.00 H new ATOM 0 HE2 HIS A 6 5.153 -4.724 -25.292 1.00 0.00 H new ATOM 99 N HIS A 7 1.605 -6.524 -28.792 1.00 0.00 N ATOM 100 CA HIS A 7 0.413 -6.275 -27.978 1.00 0.00 C ATOM 101 C HIS A 7 0.584 -7.055 -26.663 1.00 0.00 C ATOM 102 O HIS A 7 0.012 -8.133 -26.468 1.00 0.00 O ATOM 103 CB HIS A 7 -0.871 -6.680 -28.751 1.00 0.00 C ATOM 104 CG HIS A 7 -2.148 -6.441 -27.985 1.00 0.00 C ATOM 105 ND1 HIS A 7 -2.908 -7.460 -27.446 1.00 0.00 N ATOM 106 CD2 HIS A 7 -2.780 -5.292 -27.660 1.00 0.00 C ATOM 107 CE1 HIS A 7 -3.950 -6.944 -26.823 1.00 0.00 C ATOM 108 NE2 HIS A 7 -3.896 -5.629 -26.938 1.00 0.00 N ATOM 0 H HIS A 7 1.927 -7.491 -28.744 1.00 0.00 H new ATOM 0 HA HIS A 7 0.302 -5.214 -27.753 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -0.911 -6.122 -29.687 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.808 -7.736 -29.012 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -2.464 -4.293 -27.921 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.717 -7.502 -26.307 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -4.574 -4.972 -26.553 1.00 0.00 H new ATOM 117 N HIS A 8 1.459 -6.524 -25.798 1.00 0.00 N ATOM 118 CA HIS A 8 1.797 -7.138 -24.504 1.00 0.00 C ATOM 119 C HIS A 8 1.020 -6.441 -23.379 1.00 0.00 C ATOM 120 O HIS A 8 1.267 -5.269 -23.092 1.00 0.00 O ATOM 121 CB HIS A 8 3.328 -7.056 -24.243 1.00 0.00 C ATOM 122 CG HIS A 8 3.783 -7.747 -22.973 1.00 0.00 C ATOM 123 ND1 HIS A 8 4.293 -9.027 -22.954 1.00 0.00 N ATOM 124 CD2 HIS A 8 3.814 -7.320 -21.681 1.00 0.00 C ATOM 125 CE1 HIS A 8 4.613 -9.357 -21.721 1.00 0.00 C ATOM 126 NE2 HIS A 8 4.333 -8.342 -20.931 1.00 0.00 N ATOM 0 H HIS A 8 1.956 -5.651 -25.976 1.00 0.00 H new ATOM 0 HA HIS A 8 1.514 -8.190 -24.529 1.00 0.00 H new ATOM 0 HB2 HIS A 8 3.853 -7.497 -25.090 1.00 0.00 H new ATOM 0 HB3 HIS A 8 3.621 -6.007 -24.197 1.00 0.00 H new ATOM 0 HD2 HIS A 8 3.490 -6.357 -21.316 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.034 -10.301 -21.410 1.00 0.00 H new ATOM 0 HE2 HIS A 8 4.479 -8.320 -19.922 1.00 0.00 H new ATOM 135 N SER A 9 0.093 -7.172 -22.752 1.00 0.00 N ATOM 136 CA SER A 9 -0.670 -6.703 -21.577 1.00 0.00 C ATOM 137 C SER A 9 -0.234 -7.497 -20.330 1.00 0.00 C ATOM 138 O SER A 9 0.287 -8.610 -20.462 1.00 0.00 O ATOM 139 CB SER A 9 -2.181 -6.897 -21.846 1.00 0.00 C ATOM 140 OG SER A 9 -2.473 -8.244 -22.184 1.00 0.00 O ATOM 0 H SER A 9 -0.156 -8.117 -23.044 1.00 0.00 H new ATOM 0 HA SER A 9 -0.474 -5.645 -21.400 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.750 -6.609 -20.962 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.496 -6.239 -22.656 1.00 0.00 H new ATOM 0 HG SER A 9 -3.435 -8.339 -22.347 1.00 0.00 H new ATOM 146 N HIS A 10 -0.433 -6.904 -19.134 1.00 0.00 N ATOM 147 CA HIS A 10 -0.223 -7.589 -17.833 1.00 0.00 C ATOM 148 C HIS A 10 -0.741 -6.687 -16.695 1.00 0.00 C ATOM 149 O HIS A 10 -1.365 -7.170 -15.745 1.00 0.00 O ATOM 150 CB HIS A 10 1.277 -7.981 -17.591 1.00 0.00 C ATOM 151 CG HIS A 10 2.221 -6.838 -17.295 1.00 0.00 C ATOM 152 ND1 HIS A 10 2.447 -5.798 -18.172 1.00 0.00 N ATOM 153 CD2 HIS A 10 2.963 -6.562 -16.196 1.00 0.00 C ATOM 154 CE1 HIS A 10 3.283 -4.938 -17.626 1.00 0.00 C ATOM 155 NE2 HIS A 10 3.614 -5.380 -16.431 1.00 0.00 N ATOM 0 H HIS A 10 -0.744 -5.937 -19.039 1.00 0.00 H new ATOM 0 HA HIS A 10 -0.784 -8.523 -17.852 1.00 0.00 H new ATOM 0 HB2 HIS A 10 1.318 -8.685 -16.760 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.641 -8.508 -18.473 1.00 0.00 H new ATOM 0 HD2 HIS A 10 3.029 -7.162 -15.301 1.00 0.00 H new ATOM 0 HE1 HIS A 10 3.637 -4.025 -18.082 1.00 0.00 H new ATOM 0 HE2 HIS A 10 4.252 -4.917 -15.784 1.00 0.00 H new ATOM 164 N MET A 11 -0.457 -5.365 -16.833 1.00 0.00 N ATOM 165 CA MET A 11 -0.819 -4.307 -15.855 1.00 0.00 C ATOM 166 C MET A 11 -0.163 -4.548 -14.465 1.00 0.00 C ATOM 167 O MET A 11 0.646 -5.474 -14.307 1.00 0.00 O ATOM 168 CB MET A 11 -2.364 -4.120 -15.759 1.00 0.00 C ATOM 169 CG MET A 11 -3.027 -3.611 -17.053 1.00 0.00 C ATOM 170 SD MET A 11 -2.874 -4.777 -18.434 1.00 0.00 S ATOM 171 CE MET A 11 -3.666 -3.883 -19.774 1.00 0.00 C ATOM 0 H MET A 11 0.040 -4.998 -17.645 1.00 0.00 H new ATOM 0 HA MET A 11 -0.410 -3.368 -16.228 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.816 -5.073 -15.484 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.583 -3.419 -14.953 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.083 -3.419 -16.862 1.00 0.00 H new ATOM 0 HG3 MET A 11 -2.576 -2.660 -17.336 1.00 0.00 H new ATOM 0 HE1 MET A 11 -3.768 -4.539 -20.639 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.653 -3.548 -19.455 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.059 -3.019 -20.043 1.00 0.00 H new ATOM 181 N SER A 12 -0.492 -3.694 -13.473 1.00 0.00 N ATOM 182 CA SER A 12 0.165 -3.714 -12.146 1.00 0.00 C ATOM 183 C SER A 12 -0.579 -2.836 -11.131 1.00 0.00 C ATOM 184 O SER A 12 -1.321 -1.919 -11.510 1.00 0.00 O ATOM 185 CB SER A 12 1.633 -3.229 -12.286 1.00 0.00 C ATOM 186 OG SER A 12 1.699 -1.962 -12.930 1.00 0.00 O ATOM 0 H SER A 12 -1.212 -2.978 -13.566 1.00 0.00 H new ATOM 0 HA SER A 12 0.145 -4.739 -11.775 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.092 -3.162 -11.300 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.207 -3.960 -12.856 1.00 0.00 H new ATOM 0 HG SER A 12 1.892 -1.267 -12.266 1.00 0.00 H new ATOM 192 N TRP A 13 -0.326 -3.087 -9.832 1.00 0.00 N ATOM 193 CA TRP A 13 -0.794 -2.207 -8.743 1.00 0.00 C ATOM 194 C TRP A 13 0.151 -0.993 -8.630 1.00 0.00 C ATOM 195 O TRP A 13 -0.200 0.027 -8.046 1.00 0.00 O ATOM 196 CB TRP A 13 -0.902 -2.970 -7.376 1.00 0.00 C ATOM 197 CG TRP A 13 0.160 -4.021 -7.116 1.00 0.00 C ATOM 198 CD1 TRP A 13 -0.020 -5.377 -7.149 1.00 0.00 C ATOM 199 CD2 TRP A 13 1.546 -3.818 -6.791 1.00 0.00 C ATOM 200 NE1 TRP A 13 1.149 -6.017 -6.868 1.00 0.00 N ATOM 201 CE2 TRP A 13 2.126 -5.085 -6.649 1.00 0.00 C ATOM 202 CE3 TRP A 13 2.351 -2.697 -6.603 1.00 0.00 C ATOM 203 CZ2 TRP A 13 3.471 -5.257 -6.347 1.00 0.00 C ATOM 204 CZ3 TRP A 13 3.686 -2.872 -6.298 1.00 0.00 C ATOM 205 CH2 TRP A 13 4.233 -4.144 -6.174 1.00 0.00 C ATOM 0 H TRP A 13 0.203 -3.897 -9.510 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.799 -1.862 -8.984 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -0.865 -2.237 -6.570 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.880 -3.450 -7.326 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.956 -5.870 -7.367 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.276 -7.028 -6.827 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.936 -1.704 -6.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.898 -6.244 -6.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 4.316 -2.007 -6.153 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.281 -4.250 -5.936 1.00 0.00 H new ATOM 216 N TYR A 14 1.363 -1.122 -9.199 1.00 0.00 N ATOM 217 CA TYR A 14 2.334 -0.029 -9.231 1.00 0.00 C ATOM 218 C TYR A 14 1.962 0.913 -10.384 1.00 0.00 C ATOM 219 O TYR A 14 2.256 0.632 -11.546 1.00 0.00 O ATOM 220 CB TYR A 14 3.786 -0.560 -9.349 1.00 0.00 C ATOM 221 CG TYR A 14 4.851 0.508 -9.032 1.00 0.00 C ATOM 222 CD1 TYR A 14 5.250 0.761 -7.714 1.00 0.00 C ATOM 223 CD2 TYR A 14 5.450 1.265 -10.040 1.00 0.00 C ATOM 224 CE1 TYR A 14 6.199 1.725 -7.422 1.00 0.00 C ATOM 225 CE2 TYR A 14 6.395 2.222 -9.747 1.00 0.00 C ATOM 226 CZ TYR A 14 6.768 2.450 -8.446 1.00 0.00 C ATOM 227 OH TYR A 14 7.719 3.407 -8.174 1.00 0.00 O ATOM 0 H TYR A 14 1.689 -1.980 -9.644 1.00 0.00 H new ATOM 0 HA TYR A 14 2.299 0.525 -8.293 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.914 -1.404 -8.671 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.947 -0.936 -10.359 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.808 0.192 -6.909 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.167 1.097 -11.069 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.491 1.908 -6.399 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.845 2.796 -10.544 1.00 0.00 H new ATOM 0 HH TYR A 14 8.118 3.231 -7.296 1.00 0.00 H new ATOM 237 N HIS A 15 1.250 1.996 -10.042 1.00 0.00 N ATOM 238 CA HIS A 15 0.718 2.957 -11.016 1.00 0.00 C ATOM 239 C HIS A 15 1.654 4.178 -11.123 1.00 0.00 C ATOM 240 O HIS A 15 1.883 4.881 -10.137 1.00 0.00 O ATOM 241 CB HIS A 15 -0.716 3.390 -10.628 1.00 0.00 C ATOM 242 CG HIS A 15 -1.746 2.299 -10.715 1.00 0.00 C ATOM 243 ND1 HIS A 15 -2.351 1.934 -11.894 1.00 0.00 N ATOM 244 CD2 HIS A 15 -2.273 1.493 -9.767 1.00 0.00 C ATOM 245 CE1 HIS A 15 -3.203 0.953 -11.666 1.00 0.00 C ATOM 246 NE2 HIS A 15 -3.172 0.669 -10.381 1.00 0.00 N ATOM 0 H HIS A 15 1.026 2.231 -9.075 1.00 0.00 H new ATOM 0 HA HIS A 15 0.669 2.475 -11.992 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.701 3.777 -9.609 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -1.021 4.212 -11.276 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.028 1.499 -8.715 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.820 0.466 -12.407 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.729 -0.050 -9.919 1.00 0.00 H new ATOM 255 N ARG A 16 2.181 4.395 -12.339 1.00 0.00 N ATOM 256 CA ARG A 16 3.124 5.486 -12.671 1.00 0.00 C ATOM 257 C ARG A 16 2.388 6.743 -13.178 1.00 0.00 C ATOM 258 O ARG A 16 3.004 7.801 -13.337 1.00 0.00 O ATOM 259 CB ARG A 16 4.108 4.968 -13.757 1.00 0.00 C ATOM 260 CG ARG A 16 5.130 3.933 -13.235 1.00 0.00 C ATOM 261 CD ARG A 16 6.213 4.591 -12.354 1.00 0.00 C ATOM 262 NE ARG A 16 7.034 5.539 -13.130 1.00 0.00 N ATOM 263 CZ ARG A 16 8.096 6.205 -12.682 1.00 0.00 C ATOM 264 NH1 ARG A 16 8.451 6.159 -11.416 1.00 0.00 N ATOM 265 NH2 ARG A 16 8.785 6.953 -13.520 1.00 0.00 N ATOM 0 H ARG A 16 1.960 3.805 -13.141 1.00 0.00 H new ATOM 0 HA ARG A 16 3.665 5.773 -11.769 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.535 4.520 -14.569 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.648 5.816 -14.178 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.610 3.167 -12.660 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.603 3.432 -14.079 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.740 5.113 -11.522 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.853 3.820 -11.924 1.00 0.00 H new ATOM 0 HE ARG A 16 6.763 5.699 -14.100 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.908 5.604 -10.754 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.269 6.678 -11.096 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.502 7.016 -14.498 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.601 7.469 -13.191 1.00 0.00 H new ATOM 279 N ASP A 17 1.078 6.613 -13.430 1.00 0.00 N ATOM 280 CA ASP A 17 0.250 7.683 -14.039 1.00 0.00 C ATOM 281 C ASP A 17 -0.711 8.280 -13.007 1.00 0.00 C ATOM 282 O ASP A 17 -1.348 9.301 -13.267 1.00 0.00 O ATOM 283 CB ASP A 17 -0.566 7.106 -15.229 1.00 0.00 C ATOM 284 CG ASP A 17 0.319 6.562 -16.362 1.00 0.00 C ATOM 285 OD1 ASP A 17 0.903 5.466 -16.199 1.00 0.00 O ATOM 286 OD2 ASP A 17 0.441 7.219 -17.420 1.00 0.00 O ATOM 0 H ASP A 17 0.554 5.764 -13.220 1.00 0.00 H new ATOM 0 HA ASP A 17 0.915 8.469 -14.396 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.211 6.307 -14.865 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.217 7.885 -15.627 1.00 0.00 H new ATOM 291 N LEU A 18 -0.797 7.645 -11.836 1.00 0.00 N ATOM 292 CA LEU A 18 -1.847 7.887 -10.838 1.00 0.00 C ATOM 293 C LEU A 18 -1.254 8.521 -9.562 1.00 0.00 C ATOM 294 O LEU A 18 -0.255 8.030 -9.026 1.00 0.00 O ATOM 295 CB LEU A 18 -2.563 6.521 -10.592 1.00 0.00 C ATOM 296 CG LEU A 18 -3.402 6.334 -9.280 1.00 0.00 C ATOM 297 CD1 LEU A 18 -4.630 5.435 -9.525 1.00 0.00 C ATOM 298 CD2 LEU A 18 -2.533 5.753 -8.141 1.00 0.00 C ATOM 0 H LEU A 18 -0.126 6.933 -11.547 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.584 8.610 -11.188 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.227 6.339 -11.437 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.802 5.741 -10.611 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.755 7.320 -8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.191 5.325 -8.597 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.268 5.889 -10.283 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.300 4.454 -9.869 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.141 5.634 -7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.138 4.783 -8.443 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.706 6.432 -7.932 1.00 0.00 H new ATOM 310 N SER A 19 -1.896 9.611 -9.100 1.00 0.00 N ATOM 311 CA SER A 19 -1.498 10.361 -7.887 1.00 0.00 C ATOM 312 C SER A 19 -2.181 9.784 -6.626 1.00 0.00 C ATOM 313 O SER A 19 -2.877 8.776 -6.707 1.00 0.00 O ATOM 314 CB SER A 19 -1.874 11.848 -8.075 1.00 0.00 C ATOM 315 OG SER A 19 -3.273 12.010 -8.282 1.00 0.00 O ATOM 0 H SER A 19 -2.716 10.003 -9.563 1.00 0.00 H new ATOM 0 HA SER A 19 -0.421 10.268 -7.746 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.567 12.416 -7.197 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.329 12.257 -8.926 1.00 0.00 H new ATOM 0 HG SER A 19 -3.479 12.961 -8.396 1.00 0.00 H new ATOM 321 N ARG A 20 -1.950 10.422 -5.455 1.00 0.00 N ATOM 322 CA ARG A 20 -2.618 10.075 -4.174 1.00 0.00 C ATOM 323 C ARG A 20 -4.142 10.274 -4.257 1.00 0.00 C ATOM 324 O ARG A 20 -4.904 9.383 -3.889 1.00 0.00 O ATOM 325 CB ARG A 20 -2.033 10.938 -3.024 1.00 0.00 C ATOM 326 CG ARG A 20 -2.648 10.672 -1.628 1.00 0.00 C ATOM 327 CD ARG A 20 -1.952 11.463 -0.506 1.00 0.00 C ATOM 328 NE ARG A 20 -2.553 11.199 0.817 1.00 0.00 N ATOM 329 CZ ARG A 20 -2.544 12.035 1.866 1.00 0.00 C ATOM 330 NH1 ARG A 20 -1.961 13.227 1.789 1.00 0.00 N ATOM 331 NH2 ARG A 20 -3.127 11.660 2.991 1.00 0.00 N ATOM 0 H ARG A 20 -1.292 11.196 -5.370 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.430 9.020 -3.973 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.958 10.764 -2.970 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.174 11.990 -3.272 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.706 10.933 -1.647 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.586 9.607 -1.407 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.894 11.201 -0.482 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.012 12.529 -0.724 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.017 10.300 0.945 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.511 13.519 0.922 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.964 13.849 2.597 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.575 10.746 3.053 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.129 12.285 3.797 1.00 0.00 H new ATOM 345 N ALA A 21 -4.566 11.457 -4.728 1.00 0.00 N ATOM 346 CA ALA A 21 -5.994 11.779 -4.936 1.00 0.00 C ATOM 347 C ALA A 21 -6.640 10.794 -5.930 1.00 0.00 C ATOM 348 O ALA A 21 -7.748 10.288 -5.694 1.00 0.00 O ATOM 349 CB ALA A 21 -6.139 13.230 -5.420 1.00 0.00 C ATOM 0 H ALA A 21 -3.934 12.218 -4.976 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.519 11.677 -3.986 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.194 13.460 -5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.724 13.906 -4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.602 13.355 -6.360 1.00 0.00 H new ATOM 355 N ALA A 22 -5.914 10.515 -7.026 1.00 0.00 N ATOM 356 CA ALA A 22 -6.336 9.532 -8.040 1.00 0.00 C ATOM 357 C ALA A 22 -6.376 8.106 -7.472 1.00 0.00 C ATOM 358 O ALA A 22 -7.183 7.291 -7.915 1.00 0.00 O ATOM 359 CB ALA A 22 -5.417 9.597 -9.265 1.00 0.00 C ATOM 0 H ALA A 22 -5.021 10.962 -7.234 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.350 9.791 -8.345 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.743 8.865 -10.004 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.461 10.595 -9.700 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.393 9.377 -8.964 1.00 0.00 H new ATOM 365 N ALA A 23 -5.505 7.827 -6.485 1.00 0.00 N ATOM 366 CA ALA A 23 -5.433 6.513 -5.826 1.00 0.00 C ATOM 367 C ALA A 23 -6.717 6.256 -5.037 1.00 0.00 C ATOM 368 O ALA A 23 -7.429 5.299 -5.307 1.00 0.00 O ATOM 369 CB ALA A 23 -4.206 6.429 -4.905 1.00 0.00 C ATOM 0 H ALA A 23 -4.834 8.505 -6.124 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.330 5.744 -6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.175 5.449 -4.429 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.300 6.577 -5.492 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.272 7.202 -4.139 1.00 0.00 H new ATOM 375 N GLU A 24 -7.016 7.174 -4.102 1.00 0.00 N ATOM 376 CA GLU A 24 -8.200 7.117 -3.217 1.00 0.00 C ATOM 377 C GLU A 24 -9.504 6.957 -4.021 1.00 0.00 C ATOM 378 O GLU A 24 -10.356 6.128 -3.681 1.00 0.00 O ATOM 379 CB GLU A 24 -8.255 8.412 -2.366 1.00 0.00 C ATOM 380 CG GLU A 24 -6.991 8.673 -1.526 1.00 0.00 C ATOM 381 CD GLU A 24 -7.009 10.037 -0.827 1.00 0.00 C ATOM 382 OE1 GLU A 24 -6.575 11.043 -1.432 1.00 0.00 O ATOM 383 OE2 GLU A 24 -7.485 10.121 0.324 1.00 0.00 O ATOM 0 H GLU A 24 -6.432 7.994 -3.934 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.107 6.245 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.418 9.262 -3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.115 8.358 -1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.891 7.888 -0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.114 8.612 -2.170 1.00 0.00 H new ATOM 390 N GLU A 25 -9.604 7.734 -5.115 1.00 0.00 N ATOM 391 CA GLU A 25 -10.793 7.743 -5.982 1.00 0.00 C ATOM 392 C GLU A 25 -10.940 6.396 -6.711 1.00 0.00 C ATOM 393 O GLU A 25 -11.962 5.718 -6.579 1.00 0.00 O ATOM 394 CB GLU A 25 -10.726 8.885 -7.032 1.00 0.00 C ATOM 395 CG GLU A 25 -12.016 9.019 -7.882 1.00 0.00 C ATOM 396 CD GLU A 25 -11.855 9.911 -9.120 1.00 0.00 C ATOM 397 OE1 GLU A 25 -11.990 11.145 -9.004 1.00 0.00 O ATOM 398 OE2 GLU A 25 -11.597 9.379 -10.220 1.00 0.00 O ATOM 0 H GLU A 25 -8.867 8.369 -5.420 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.658 7.910 -5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.538 9.829 -6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.880 8.709 -7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.334 8.026 -8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.811 9.423 -7.256 1.00 0.00 H new ATOM 405 N LEU A 26 -9.892 6.030 -7.474 1.00 0.00 N ATOM 406 CA LEU A 26 -9.896 4.836 -8.338 1.00 0.00 C ATOM 407 C LEU A 26 -10.076 3.552 -7.501 1.00 0.00 C ATOM 408 O LEU A 26 -10.721 2.620 -7.955 1.00 0.00 O ATOM 409 CB LEU A 26 -8.599 4.808 -9.215 1.00 0.00 C ATOM 410 CG LEU A 26 -8.621 3.915 -10.512 1.00 0.00 C ATOM 411 CD1 LEU A 26 -7.562 4.376 -11.533 1.00 0.00 C ATOM 412 CD2 LEU A 26 -8.421 2.419 -10.205 1.00 0.00 C ATOM 0 H LEU A 26 -9.018 6.555 -7.508 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.748 4.883 -9.016 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.373 5.831 -9.514 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.775 4.470 -8.587 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.614 4.041 -10.943 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.605 3.738 -12.415 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.760 5.408 -11.822 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.571 4.308 -11.085 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.445 1.850 -11.135 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.458 2.274 -9.715 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.218 2.073 -9.547 1.00 0.00 H new ATOM 424 N LEU A 27 -9.541 3.528 -6.265 1.00 0.00 N ATOM 425 CA LEU A 27 -9.724 2.384 -5.343 1.00 0.00 C ATOM 426 C LEU A 27 -11.195 2.297 -4.910 1.00 0.00 C ATOM 427 O LEU A 27 -11.773 1.216 -4.930 1.00 0.00 O ATOM 428 CB LEU A 27 -8.798 2.485 -4.097 1.00 0.00 C ATOM 429 CG LEU A 27 -7.271 2.345 -4.367 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.461 2.480 -3.066 1.00 0.00 C ATOM 431 CD2 LEU A 27 -6.931 1.037 -5.112 1.00 0.00 C ATOM 0 H LEU A 27 -8.978 4.286 -5.880 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.446 1.476 -5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.975 3.447 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.093 1.713 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.984 3.166 -5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.398 2.378 -3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.647 3.458 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.763 1.700 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.855 0.982 -5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.249 0.184 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.448 1.020 -6.071 1.00 0.00 H new ATOM 443 N ALA A 28 -11.788 3.460 -4.557 1.00 0.00 N ATOM 444 CA ALA A 28 -13.199 3.561 -4.098 1.00 0.00 C ATOM 445 C ALA A 28 -14.195 3.170 -5.204 1.00 0.00 C ATOM 446 O ALA A 28 -15.308 2.721 -4.920 1.00 0.00 O ATOM 447 CB ALA A 28 -13.496 4.983 -3.586 1.00 0.00 C ATOM 0 H ALA A 28 -11.304 4.358 -4.581 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.327 2.853 -3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.532 5.041 -3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.834 5.215 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.332 5.701 -4.390 1.00 0.00 H new ATOM 453 N ARG A 29 -13.790 3.359 -6.460 1.00 0.00 N ATOM 454 CA ARG A 29 -14.613 3.016 -7.625 1.00 0.00 C ATOM 455 C ARG A 29 -14.421 1.542 -8.030 1.00 0.00 C ATOM 456 O ARG A 29 -15.401 0.813 -8.209 1.00 0.00 O ATOM 457 CB ARG A 29 -14.259 3.951 -8.806 1.00 0.00 C ATOM 458 CG ARG A 29 -14.585 5.436 -8.559 1.00 0.00 C ATOM 459 CD ARG A 29 -14.361 6.299 -9.809 1.00 0.00 C ATOM 460 NE ARG A 29 -15.143 5.805 -10.965 1.00 0.00 N ATOM 461 CZ ARG A 29 -15.237 6.409 -12.156 1.00 0.00 C ATOM 462 NH1 ARG A 29 -14.639 7.569 -12.388 1.00 0.00 N ATOM 463 NH2 ARG A 29 -15.949 5.837 -13.112 1.00 0.00 N ATOM 0 H ARG A 29 -12.881 3.755 -6.701 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.661 3.152 -7.359 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.195 3.856 -9.023 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -14.796 3.616 -9.693 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.622 5.529 -8.237 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.964 5.811 -7.745 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.642 7.330 -9.594 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.301 6.304 -10.062 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.653 4.930 -10.844 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -14.094 8.018 -11.652 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.723 8.012 -13.303 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.417 4.948 -12.937 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.030 6.285 -14.025 1.00 0.00 H new ATOM 477 N ALA A 30 -13.157 1.118 -8.145 1.00 0.00 N ATOM 478 CA ALA A 30 -12.783 -0.186 -8.724 1.00 0.00 C ATOM 479 C ALA A 30 -13.034 -1.338 -7.743 1.00 0.00 C ATOM 480 O ALA A 30 -13.808 -2.251 -8.045 1.00 0.00 O ATOM 481 CB ALA A 30 -11.315 -0.166 -9.184 1.00 0.00 C ATOM 0 H ALA A 30 -12.357 1.671 -7.838 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.419 -0.359 -9.592 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.054 -1.135 -9.609 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.181 0.609 -9.938 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.669 0.042 -8.331 1.00 0.00 H new ATOM 487 N GLY A 31 -12.386 -1.285 -6.565 1.00 0.00 N ATOM 488 CA GLY A 31 -12.471 -2.368 -5.579 1.00 0.00 C ATOM 489 C GLY A 31 -13.522 -2.117 -4.504 1.00 0.00 C ATOM 490 O GLY A 31 -14.323 -3.004 -4.182 1.00 0.00 O ATOM 0 H GLY A 31 -11.799 -0.502 -6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.701 -3.302 -6.093 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.498 -2.496 -5.105 1.00 0.00 H new ATOM 494 N ARG A 32 -13.502 -0.878 -3.966 1.00 0.00 N ATOM 495 CA ARG A 32 -14.352 -0.403 -2.844 1.00 0.00 C ATOM 496 C ARG A 32 -14.324 -1.358 -1.607 1.00 0.00 C ATOM 497 O ARG A 32 -15.238 -1.345 -0.774 1.00 0.00 O ATOM 498 CB ARG A 32 -15.804 -0.111 -3.360 1.00 0.00 C ATOM 499 CG ARG A 32 -16.714 0.669 -2.368 1.00 0.00 C ATOM 500 CD ARG A 32 -18.090 1.032 -2.940 1.00 0.00 C ATOM 501 NE ARG A 32 -18.004 2.048 -4.009 1.00 0.00 N ATOM 502 CZ ARG A 32 -19.000 2.860 -4.389 1.00 0.00 C ATOM 503 NH1 ARG A 32 -20.197 2.793 -3.805 1.00 0.00 N ATOM 504 NH2 ARG A 32 -18.787 3.751 -5.346 1.00 0.00 N ATOM 0 H ARG A 32 -12.873 -0.153 -4.311 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.930 0.532 -2.476 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.736 0.456 -4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.285 -1.059 -3.601 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -16.852 0.069 -1.469 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -16.204 1.584 -2.066 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.566 0.134 -3.333 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.727 1.405 -2.138 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.113 2.139 -4.498 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.363 2.118 -3.059 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.946 3.417 -4.104 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -17.870 3.815 -5.788 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.540 4.373 -5.641 1.00 0.00 H new ATOM 518 N ASP A 33 -13.221 -2.126 -1.443 1.00 0.00 N ATOM 519 CA ASP A 33 -13.110 -3.170 -0.401 1.00 0.00 C ATOM 520 C ASP A 33 -11.755 -3.886 -0.552 1.00 0.00 C ATOM 521 O ASP A 33 -11.593 -4.730 -1.439 1.00 0.00 O ATOM 522 CB ASP A 33 -14.285 -4.201 -0.485 1.00 0.00 C ATOM 523 CG ASP A 33 -14.212 -5.324 0.565 1.00 0.00 C ATOM 524 OD1 ASP A 33 -14.484 -5.057 1.757 1.00 0.00 O ATOM 525 OD2 ASP A 33 -13.900 -6.482 0.201 1.00 0.00 O ATOM 0 H ASP A 33 -12.389 -2.039 -2.026 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.172 -2.693 0.577 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.229 -3.670 -0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.292 -4.648 -1.479 1.00 0.00 H new ATOM 530 N GLY A 34 -10.756 -3.478 0.252 1.00 0.00 N ATOM 531 CA GLY A 34 -9.450 -4.155 0.282 1.00 0.00 C ATOM 532 C GLY A 34 -8.608 -3.897 -0.961 1.00 0.00 C ATOM 533 O GLY A 34 -7.685 -4.661 -1.276 1.00 0.00 O ATOM 0 H GLY A 34 -10.830 -2.684 0.888 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.897 -3.824 1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.607 -5.228 0.389 1.00 0.00 H new ATOM 537 N SER A 35 -8.941 -2.811 -1.663 1.00 0.00 N ATOM 538 CA SER A 35 -8.267 -2.394 -2.888 1.00 0.00 C ATOM 539 C SER A 35 -6.980 -1.633 -2.530 1.00 0.00 C ATOM 540 O SER A 35 -7.037 -0.639 -1.799 1.00 0.00 O ATOM 541 CB SER A 35 -9.237 -1.514 -3.713 1.00 0.00 C ATOM 542 OG SER A 35 -9.917 -0.580 -2.894 1.00 0.00 O ATOM 0 H SER A 35 -9.701 -2.188 -1.388 1.00 0.00 H new ATOM 0 HA SER A 35 -7.987 -3.260 -3.488 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.680 -0.984 -4.486 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.962 -2.149 -4.221 1.00 0.00 H new ATOM 0 HG SER A 35 -10.751 -0.978 -2.567 1.00 0.00 H new ATOM 548 N PHE A 36 -5.833 -2.094 -3.049 1.00 0.00 N ATOM 549 CA PHE A 36 -4.520 -1.483 -2.763 1.00 0.00 C ATOM 550 C PHE A 36 -3.784 -1.186 -4.072 1.00 0.00 C ATOM 551 O PHE A 36 -4.086 -1.777 -5.115 1.00 0.00 O ATOM 552 CB PHE A 36 -3.655 -2.411 -1.857 1.00 0.00 C ATOM 553 CG PHE A 36 -3.025 -3.627 -2.564 1.00 0.00 C ATOM 554 CD1 PHE A 36 -3.757 -4.790 -2.778 1.00 0.00 C ATOM 555 CD2 PHE A 36 -1.694 -3.599 -3.007 1.00 0.00 C ATOM 556 CE1 PHE A 36 -3.191 -5.880 -3.416 1.00 0.00 C ATOM 557 CE2 PHE A 36 -1.130 -4.690 -3.644 1.00 0.00 C ATOM 558 CZ PHE A 36 -1.879 -5.830 -3.847 1.00 0.00 C ATOM 0 H PHE A 36 -5.785 -2.897 -3.676 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.688 -0.549 -2.227 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.856 -1.816 -1.414 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.276 -2.771 -1.037 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.782 -4.843 -2.441 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.100 -2.711 -2.848 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.777 -6.773 -3.578 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.105 -4.649 -3.982 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.440 -6.683 -4.343 1.00 0.00 H new ATOM 568 N LEU A 37 -2.816 -0.269 -3.986 1.00 0.00 N ATOM 569 CA LEU A 37 -1.853 0.011 -5.056 1.00 0.00 C ATOM 570 C LEU A 37 -0.584 0.649 -4.463 1.00 0.00 C ATOM 571 O LEU A 37 -0.602 1.141 -3.336 1.00 0.00 O ATOM 572 CB LEU A 37 -2.521 0.903 -6.162 1.00 0.00 C ATOM 573 CG LEU A 37 -3.155 2.273 -5.732 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.097 3.369 -5.470 1.00 0.00 C ATOM 575 CD2 LEU A 37 -4.192 2.758 -6.779 1.00 0.00 C ATOM 0 H LEU A 37 -2.677 0.309 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.550 -0.919 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.768 1.110 -6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.302 0.311 -6.640 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.665 2.092 -4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.595 4.293 -5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.430 3.047 -4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.519 3.541 -6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.616 3.709 -6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.702 2.887 -7.744 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.988 2.019 -6.873 1.00 0.00 H new ATOM 587 N VAL A 38 0.507 0.666 -5.240 1.00 0.00 N ATOM 588 CA VAL A 38 1.762 1.360 -4.877 1.00 0.00 C ATOM 589 C VAL A 38 2.086 2.374 -5.998 1.00 0.00 C ATOM 590 O VAL A 38 1.634 2.218 -7.131 1.00 0.00 O ATOM 591 CB VAL A 38 2.960 0.354 -4.641 1.00 0.00 C ATOM 592 CG1 VAL A 38 4.263 1.080 -4.183 1.00 0.00 C ATOM 593 CG2 VAL A 38 2.578 -0.742 -3.606 1.00 0.00 C ATOM 0 H VAL A 38 0.550 0.197 -6.145 1.00 0.00 H new ATOM 0 HA VAL A 38 1.625 1.879 -3.928 1.00 0.00 H new ATOM 0 HB VAL A 38 3.159 -0.117 -5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.055 0.346 -4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.569 1.795 -4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.076 1.607 -3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.421 -1.418 -3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.326 -0.272 -2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.719 -1.304 -3.972 1.00 0.00 H new ATOM 603 N ARG A 39 2.823 3.426 -5.652 1.00 0.00 N ATOM 604 CA ARG A 39 3.179 4.536 -6.551 1.00 0.00 C ATOM 605 C ARG A 39 4.464 5.199 -6.034 1.00 0.00 C ATOM 606 O ARG A 39 5.096 4.698 -5.097 1.00 0.00 O ATOM 607 CB ARG A 39 2.004 5.559 -6.644 1.00 0.00 C ATOM 608 CG ARG A 39 1.356 5.939 -5.281 1.00 0.00 C ATOM 609 CD ARG A 39 0.366 7.134 -5.376 1.00 0.00 C ATOM 610 NE ARG A 39 1.024 8.442 -5.143 1.00 0.00 N ATOM 611 CZ ARG A 39 1.596 9.221 -6.071 1.00 0.00 C ATOM 612 NH1 ARG A 39 1.656 8.860 -7.343 1.00 0.00 N ATOM 613 NH2 ARG A 39 2.123 10.373 -5.702 1.00 0.00 N ATOM 0 H ARG A 39 3.203 3.539 -4.712 1.00 0.00 H new ATOM 0 HA ARG A 39 3.358 4.158 -7.558 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.370 6.468 -7.122 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.233 5.146 -7.294 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.829 5.071 -4.884 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.144 6.186 -4.570 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.100 7.137 -6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.432 6.998 -4.646 1.00 0.00 H new ATOM 0 HE ARG A 39 1.043 8.782 -4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.260 7.968 -7.639 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.098 9.474 -8.027 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.091 10.658 -4.723 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.562 10.978 -6.396 1.00 0.00 H new ATOM 627 N ASP A 40 4.859 6.305 -6.665 1.00 0.00 N ATOM 628 CA ASP A 40 5.996 7.126 -6.220 1.00 0.00 C ATOM 629 C ASP A 40 5.451 8.203 -5.276 1.00 0.00 C ATOM 630 O ASP A 40 4.591 8.973 -5.690 1.00 0.00 O ATOM 631 CB ASP A 40 6.702 7.777 -7.434 1.00 0.00 C ATOM 632 CG ASP A 40 7.198 6.739 -8.452 1.00 0.00 C ATOM 633 OD1 ASP A 40 6.385 6.269 -9.285 1.00 0.00 O ATOM 634 OD2 ASP A 40 8.393 6.368 -8.415 1.00 0.00 O ATOM 0 H ASP A 40 4.400 6.662 -7.503 1.00 0.00 H new ATOM 0 HA ASP A 40 6.731 6.508 -5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.013 8.463 -7.926 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.547 8.370 -7.084 1.00 0.00 H new ATOM 639 N SER A 41 5.939 8.251 -4.024 1.00 0.00 N ATOM 640 CA SER A 41 5.396 9.134 -2.960 1.00 0.00 C ATOM 641 C SER A 41 5.452 10.633 -3.324 1.00 0.00 C ATOM 642 O SER A 41 6.221 11.071 -4.184 1.00 0.00 O ATOM 643 CB SER A 41 6.128 8.900 -1.613 1.00 0.00 C ATOM 644 OG SER A 41 5.524 9.622 -0.535 1.00 0.00 O ATOM 0 H SER A 41 6.724 7.679 -3.714 1.00 0.00 H new ATOM 0 HA SER A 41 4.345 8.862 -2.860 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.126 7.835 -1.381 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.171 9.202 -1.711 1.00 0.00 H new ATOM 0 HG SER A 41 6.086 9.548 0.264 1.00 0.00 H new ATOM 650 N GLU A 42 4.627 11.384 -2.608 1.00 0.00 N ATOM 651 CA GLU A 42 4.441 12.835 -2.738 1.00 0.00 C ATOM 652 C GLU A 42 4.741 13.490 -1.380 1.00 0.00 C ATOM 653 O GLU A 42 5.181 14.642 -1.313 1.00 0.00 O ATOM 654 CB GLU A 42 2.982 13.139 -3.201 1.00 0.00 C ATOM 655 CG GLU A 42 1.846 12.708 -2.222 1.00 0.00 C ATOM 656 CD GLU A 42 1.755 11.184 -2.003 1.00 0.00 C ATOM 657 OE1 GLU A 42 1.306 10.481 -2.928 1.00 0.00 O ATOM 658 OE2 GLU A 42 2.189 10.684 -0.934 1.00 0.00 O ATOM 0 H GLU A 42 4.035 10.983 -1.881 1.00 0.00 H new ATOM 0 HA GLU A 42 5.121 13.242 -3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.895 14.211 -3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.816 12.644 -4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.005 13.195 -1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.892 13.068 -2.607 1.00 0.00 H new ATOM 665 N SER A 43 4.485 12.721 -0.296 1.00 0.00 N ATOM 666 CA SER A 43 4.829 13.106 1.072 1.00 0.00 C ATOM 667 C SER A 43 6.357 13.160 1.234 1.00 0.00 C ATOM 668 O SER A 43 6.894 14.043 1.913 1.00 0.00 O ATOM 669 CB SER A 43 4.205 12.093 2.065 1.00 0.00 C ATOM 670 OG SER A 43 2.801 11.969 1.860 1.00 0.00 O ATOM 0 H SER A 43 4.030 11.810 -0.358 1.00 0.00 H new ATOM 0 HA SER A 43 4.429 14.097 1.285 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.680 11.120 1.943 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.399 12.416 3.088 1.00 0.00 H new ATOM 0 HG SER A 43 2.634 11.496 1.018 1.00 0.00 H new ATOM 676 N VAL A 44 7.047 12.194 0.592 1.00 0.00 N ATOM 677 CA VAL A 44 8.512 12.087 0.600 1.00 0.00 C ATOM 678 C VAL A 44 9.011 11.994 -0.858 1.00 0.00 C ATOM 679 O VAL A 44 8.621 11.074 -1.590 1.00 0.00 O ATOM 680 CB VAL A 44 9.000 10.822 1.402 1.00 0.00 C ATOM 681 CG1 VAL A 44 10.545 10.802 1.546 1.00 0.00 C ATOM 682 CG2 VAL A 44 8.310 10.710 2.780 1.00 0.00 C ATOM 0 H VAL A 44 6.592 11.460 0.049 1.00 0.00 H new ATOM 0 HA VAL A 44 8.919 12.970 1.092 1.00 0.00 H new ATOM 0 HB VAL A 44 8.708 9.947 0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.847 9.916 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.002 10.781 0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.872 11.695 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.676 9.824 3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.535 11.597 3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.232 10.630 2.642 1.00 0.00 H new ATOM 692 N ALA A 45 9.845 12.960 -1.270 1.00 0.00 N ATOM 693 CA ALA A 45 10.471 12.980 -2.612 1.00 0.00 C ATOM 694 C ALA A 45 11.466 11.811 -2.786 1.00 0.00 C ATOM 695 O ALA A 45 12.250 11.526 -1.875 1.00 0.00 O ATOM 696 CB ALA A 45 11.189 14.320 -2.834 1.00 0.00 C ATOM 0 H ALA A 45 10.109 13.753 -0.685 1.00 0.00 H new ATOM 0 HA ALA A 45 9.682 12.863 -3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.647 14.328 -3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.469 15.135 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.961 14.449 -2.075 1.00 0.00 H new ATOM 702 N GLY A 46 11.388 11.114 -3.937 1.00 0.00 N ATOM 703 CA GLY A 46 12.298 9.999 -4.255 1.00 0.00 C ATOM 704 C GLY A 46 11.855 8.672 -3.634 1.00 0.00 C ATOM 705 O GLY A 46 12.482 7.638 -3.868 1.00 0.00 O ATOM 0 H GLY A 46 10.700 11.306 -4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.360 9.885 -5.337 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.300 10.243 -3.902 1.00 0.00 H new ATOM 709 N ALA A 47 10.746 8.713 -2.871 1.00 0.00 N ATOM 710 CA ALA A 47 10.213 7.557 -2.122 1.00 0.00 C ATOM 711 C ALA A 47 9.025 6.922 -2.839 1.00 0.00 C ATOM 712 O ALA A 47 8.617 7.381 -3.905 1.00 0.00 O ATOM 713 CB ALA A 47 9.836 7.966 -0.699 1.00 0.00 C ATOM 0 H ALA A 47 10.188 9.559 -2.756 1.00 0.00 H new ATOM 0 HA ALA A 47 11.000 6.805 -2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.445 7.101 -0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.719 8.344 -0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.075 8.745 -0.734 1.00 0.00 H new ATOM 719 N PHE A 48 8.506 5.834 -2.255 1.00 0.00 N ATOM 720 CA PHE A 48 7.294 5.139 -2.744 1.00 0.00 C ATOM 721 C PHE A 48 6.152 5.333 -1.731 1.00 0.00 C ATOM 722 O PHE A 48 6.413 5.631 -0.563 1.00 0.00 O ATOM 723 CB PHE A 48 7.571 3.631 -2.972 1.00 0.00 C ATOM 724 CG PHE A 48 8.810 3.357 -3.813 1.00 0.00 C ATOM 725 CD1 PHE A 48 8.815 3.625 -5.179 1.00 0.00 C ATOM 726 CD2 PHE A 48 9.982 2.866 -3.231 1.00 0.00 C ATOM 727 CE1 PHE A 48 9.947 3.403 -5.939 1.00 0.00 C ATOM 728 CE2 PHE A 48 11.113 2.649 -3.992 1.00 0.00 C ATOM 729 CZ PHE A 48 11.095 2.918 -5.347 1.00 0.00 C ATOM 0 H PHE A 48 8.913 5.404 -1.425 1.00 0.00 H new ATOM 0 HA PHE A 48 7.003 5.569 -3.703 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.683 3.141 -2.005 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.706 3.181 -3.459 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.923 4.011 -5.650 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.003 2.654 -2.172 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.933 3.610 -6.999 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.011 2.269 -3.528 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.980 2.749 -5.943 1.00 0.00 H new ATOM 739 N ALA A 49 4.894 5.232 -2.199 1.00 0.00 N ATOM 740 CA ALA A 49 3.692 5.277 -1.342 1.00 0.00 C ATOM 741 C ALA A 49 2.770 4.086 -1.659 1.00 0.00 C ATOM 742 O ALA A 49 2.625 3.708 -2.811 1.00 0.00 O ATOM 743 CB ALA A 49 2.939 6.612 -1.529 1.00 0.00 C ATOM 0 H ALA A 49 4.680 5.116 -3.190 1.00 0.00 H new ATOM 0 HA ALA A 49 4.005 5.208 -0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.057 6.625 -0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.595 7.440 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.633 6.715 -2.570 1.00 0.00 H new ATOM 749 N LEU A 50 2.138 3.535 -0.620 1.00 0.00 N ATOM 750 CA LEU A 50 1.205 2.400 -0.700 1.00 0.00 C ATOM 751 C LEU A 50 -0.161 2.904 -0.230 1.00 0.00 C ATOM 752 O LEU A 50 -0.310 3.285 0.923 1.00 0.00 O ATOM 753 CB LEU A 50 1.716 1.224 0.191 1.00 0.00 C ATOM 754 CG LEU A 50 0.736 0.033 0.475 1.00 0.00 C ATOM 755 CD1 LEU A 50 0.244 -0.659 -0.813 1.00 0.00 C ATOM 756 CD2 LEU A 50 1.378 -0.994 1.438 1.00 0.00 C ATOM 0 H LEU A 50 2.263 3.875 0.333 1.00 0.00 H new ATOM 0 HA LEU A 50 1.130 2.020 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.611 0.815 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.021 1.641 1.151 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.143 0.463 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.431 -1.475 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.284 0.064 -1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.098 -1.056 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.678 -1.810 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.290 -1.390 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.618 -0.506 2.383 1.00 0.00 H new ATOM 768 N CYS A 51 -1.134 2.951 -1.137 1.00 0.00 N ATOM 769 CA CYS A 51 -2.490 3.424 -0.842 1.00 0.00 C ATOM 770 C CYS A 51 -3.415 2.203 -0.735 1.00 0.00 C ATOM 771 O CYS A 51 -3.558 1.450 -1.700 1.00 0.00 O ATOM 772 CB CYS A 51 -2.951 4.382 -1.964 1.00 0.00 C ATOM 773 SG CYS A 51 -4.560 5.145 -1.702 1.00 0.00 S ATOM 0 H CYS A 51 -1.005 2.660 -2.106 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.517 3.971 0.100 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.206 5.170 -2.077 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.976 3.831 -2.904 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.518 6.388 -2.081 1.00 0.00 H new ATOM 779 N VAL A 52 -4.027 2.005 0.442 1.00 0.00 N ATOM 780 CA VAL A 52 -4.891 0.843 0.738 1.00 0.00 C ATOM 781 C VAL A 52 -6.258 1.360 1.223 1.00 0.00 C ATOM 782 O VAL A 52 -6.314 2.299 2.028 1.00 0.00 O ATOM 783 CB VAL A 52 -4.264 -0.095 1.850 1.00 0.00 C ATOM 784 CG1 VAL A 52 -5.126 -1.367 2.072 1.00 0.00 C ATOM 785 CG2 VAL A 52 -2.799 -0.473 1.527 1.00 0.00 C ATOM 0 H VAL A 52 -3.938 2.651 1.226 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.994 0.252 -0.172 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.259 0.475 2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.667 -1.988 2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.128 -1.077 2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.190 -1.930 1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.407 -1.117 2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.761 -1.001 0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.195 0.432 1.464 1.00 0.00 H new ATOM 795 N LEU A 53 -7.344 0.747 0.741 1.00 0.00 N ATOM 796 CA LEU A 53 -8.724 1.114 1.105 1.00 0.00 C ATOM 797 C LEU A 53 -9.372 -0.009 1.932 1.00 0.00 C ATOM 798 O LEU A 53 -9.234 -1.192 1.606 1.00 0.00 O ATOM 799 CB LEU A 53 -9.552 1.389 -0.179 1.00 0.00 C ATOM 800 CG LEU A 53 -11.111 1.521 -0.011 1.00 0.00 C ATOM 801 CD1 LEU A 53 -11.519 2.637 0.976 1.00 0.00 C ATOM 802 CD2 LEU A 53 -11.784 1.731 -1.371 1.00 0.00 C ATOM 0 H LEU A 53 -7.293 -0.027 0.079 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.703 2.020 1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.181 2.309 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.355 0.585 -0.888 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.459 0.582 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.606 2.679 1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.097 2.426 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.143 3.595 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.862 1.820 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.400 2.642 -1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.570 0.881 -2.018 1.00 0.00 H new ATOM 814 N TYR A 54 -10.089 0.400 2.986 1.00 0.00 N ATOM 815 CA TYR A 54 -10.896 -0.480 3.826 1.00 0.00 C ATOM 816 C TYR A 54 -12.178 0.264 4.212 1.00 0.00 C ATOM 817 O TYR A 54 -12.117 1.168 5.042 1.00 0.00 O ATOM 818 CB TYR A 54 -10.093 -0.885 5.086 1.00 0.00 C ATOM 819 CG TYR A 54 -10.814 -1.842 6.057 1.00 0.00 C ATOM 820 CD1 TYR A 54 -10.931 -3.199 5.768 1.00 0.00 C ATOM 821 CD2 TYR A 54 -11.358 -1.393 7.266 1.00 0.00 C ATOM 822 CE1 TYR A 54 -11.554 -4.066 6.636 1.00 0.00 C ATOM 823 CE2 TYR A 54 -11.987 -2.264 8.135 1.00 0.00 C ATOM 824 CZ TYR A 54 -12.078 -3.598 7.817 1.00 0.00 C ATOM 825 OH TYR A 54 -12.682 -4.475 8.689 1.00 0.00 O ATOM 0 H TYR A 54 -10.122 1.376 3.281 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.154 -1.391 3.286 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.162 -1.354 4.767 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.824 0.020 5.630 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -10.524 -3.579 4.843 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.285 -0.347 7.524 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.631 -5.115 6.389 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.406 -1.898 9.061 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.999 -3.986 9.477 1.00 0.00 H new ATOM 835 N GLN A 55 -13.301 -0.093 3.551 1.00 0.00 N ATOM 836 CA GLN A 55 -14.672 0.375 3.880 1.00 0.00 C ATOM 837 C GLN A 55 -14.742 1.892 4.188 1.00 0.00 C ATOM 838 O GLN A 55 -14.898 2.297 5.353 1.00 0.00 O ATOM 839 CB GLN A 55 -15.256 -0.476 5.039 1.00 0.00 C ATOM 840 CG GLN A 55 -15.281 -1.998 4.754 1.00 0.00 C ATOM 841 CD GLN A 55 -15.839 -2.828 5.908 1.00 0.00 C ATOM 842 OE1 GLN A 55 -16.684 -2.366 6.678 1.00 0.00 O ATOM 843 NE2 GLN A 55 -15.377 -4.059 6.035 1.00 0.00 N ATOM 0 H GLN A 55 -13.282 -0.730 2.754 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.287 0.233 2.991 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.669 -0.295 5.940 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -16.272 -0.139 5.247 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -15.880 -2.182 3.862 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -14.268 -2.334 4.532 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.678 -4.411 5.381 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.719 -4.657 6.787 1.00 0.00 H new ATOM 852 N LYS A 56 -14.570 2.704 3.129 1.00 0.00 N ATOM 853 CA LYS A 56 -14.539 4.184 3.192 1.00 0.00 C ATOM 854 C LYS A 56 -13.462 4.701 4.189 1.00 0.00 C ATOM 855 O LYS A 56 -13.670 5.679 4.917 1.00 0.00 O ATOM 856 CB LYS A 56 -15.962 4.744 3.511 1.00 0.00 C ATOM 857 CG LYS A 56 -16.147 6.255 3.217 1.00 0.00 C ATOM 858 CD LYS A 56 -17.553 6.763 3.604 1.00 0.00 C ATOM 859 CE LYS A 56 -17.730 8.276 3.356 1.00 0.00 C ATOM 860 NZ LYS A 56 -19.083 8.753 3.752 1.00 0.00 N ATOM 0 H LYS A 56 -14.446 2.345 2.182 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.246 4.560 2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.696 4.183 2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.181 4.564 4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -15.395 6.823 3.764 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.976 6.439 2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.302 6.215 3.033 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.735 6.548 4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -16.974 8.826 3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -17.564 8.492 2.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -19.159 9.774 3.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -19.805 8.248 3.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -19.232 8.571 4.765 1.00 0.00 H new ATOM 874 N HIS A 57 -12.312 4.020 4.218 1.00 0.00 N ATOM 875 CA HIS A 57 -11.127 4.487 4.957 1.00 0.00 C ATOM 876 C HIS A 57 -9.867 4.165 4.143 1.00 0.00 C ATOM 877 O HIS A 57 -9.413 3.018 4.117 1.00 0.00 O ATOM 878 CB HIS A 57 -11.082 3.834 6.363 1.00 0.00 C ATOM 879 CG HIS A 57 -10.027 4.373 7.293 1.00 0.00 C ATOM 880 ND1 HIS A 57 -9.277 3.567 8.111 1.00 0.00 N ATOM 881 CD2 HIS A 57 -9.668 5.644 7.592 1.00 0.00 C ATOM 882 CE1 HIS A 57 -8.508 4.308 8.875 1.00 0.00 C ATOM 883 NE2 HIS A 57 -8.721 5.575 8.581 1.00 0.00 N ATOM 0 H HIS A 57 -12.173 3.133 3.733 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.179 5.566 5.100 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.057 3.960 6.835 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.923 2.763 6.242 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.055 6.544 7.137 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -7.817 3.941 9.619 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.258 6.372 9.017 1.00 0.00 H new ATOM 892 N VAL A 58 -9.306 5.189 3.489 1.00 0.00 N ATOM 893 CA VAL A 58 -8.087 5.057 2.681 1.00 0.00 C ATOM 894 C VAL A 58 -6.908 5.613 3.476 1.00 0.00 C ATOM 895 O VAL A 58 -6.991 6.723 4.008 1.00 0.00 O ATOM 896 CB VAL A 58 -8.176 5.830 1.312 1.00 0.00 C ATOM 897 CG1 VAL A 58 -6.979 5.464 0.402 1.00 0.00 C ATOM 898 CG2 VAL A 58 -9.516 5.577 0.590 1.00 0.00 C ATOM 0 H VAL A 58 -9.686 6.136 3.505 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.959 3.998 2.455 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.130 6.896 1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.058 6.008 -0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.048 5.734 0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.987 4.392 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.533 6.130 -0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.624 4.512 0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.339 5.911 1.222 1.00 0.00 H new ATOM 908 N HIS A 59 -5.828 4.843 3.580 1.00 0.00 N ATOM 909 CA HIS A 59 -4.554 5.317 4.134 1.00 0.00 C ATOM 910 C HIS A 59 -3.463 5.208 3.073 1.00 0.00 C ATOM 911 O HIS A 59 -3.478 4.297 2.247 1.00 0.00 O ATOM 912 CB HIS A 59 -4.166 4.512 5.411 1.00 0.00 C ATOM 913 CG HIS A 59 -4.668 5.088 6.702 1.00 0.00 C ATOM 914 ND1 HIS A 59 -4.088 4.804 7.914 1.00 0.00 N ATOM 915 CD2 HIS A 59 -5.697 5.918 6.970 1.00 0.00 C ATOM 916 CE1 HIS A 59 -4.735 5.430 8.867 1.00 0.00 C ATOM 917 NE2 HIS A 59 -5.716 6.114 8.323 1.00 0.00 N ATOM 0 H HIS A 59 -5.808 3.868 3.282 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.664 6.362 4.425 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -4.548 3.496 5.311 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.079 4.441 5.461 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -3.278 4.199 8.052 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -6.378 6.347 6.250 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -4.501 5.390 9.921 1.00 0.00 H new ATOM 926 N THR A 60 -2.517 6.145 3.129 1.00 0.00 N ATOM 927 CA THR A 60 -1.345 6.187 2.253 1.00 0.00 C ATOM 928 C THR A 60 -0.103 6.039 3.135 1.00 0.00 C ATOM 929 O THR A 60 0.008 6.696 4.172 1.00 0.00 O ATOM 930 CB THR A 60 -1.305 7.512 1.414 1.00 0.00 C ATOM 931 OG1 THR A 60 -1.550 8.646 2.266 1.00 0.00 O ATOM 932 CG2 THR A 60 -2.347 7.487 0.281 1.00 0.00 C ATOM 0 H THR A 60 -2.544 6.913 3.799 1.00 0.00 H new ATOM 0 HA THR A 60 -1.386 5.373 1.529 1.00 0.00 H new ATOM 0 HB THR A 60 -0.313 7.595 0.970 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.079 9.429 1.912 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.295 8.419 -0.282 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.141 6.649 -0.384 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.344 7.376 0.706 1.00 0.00 H new ATOM 940 N TYR A 61 0.815 5.158 2.724 1.00 0.00 N ATOM 941 CA TYR A 61 1.972 4.746 3.528 1.00 0.00 C ATOM 942 C TYR A 61 3.236 5.028 2.721 1.00 0.00 C ATOM 943 O TYR A 61 3.485 4.333 1.739 1.00 0.00 O ATOM 944 CB TYR A 61 1.901 3.222 3.870 1.00 0.00 C ATOM 945 CG TYR A 61 0.612 2.782 4.589 1.00 0.00 C ATOM 946 CD1 TYR A 61 0.500 2.844 5.982 1.00 0.00 C ATOM 947 CD2 TYR A 61 -0.490 2.308 3.869 1.00 0.00 C ATOM 948 CE1 TYR A 61 -0.659 2.446 6.623 1.00 0.00 C ATOM 949 CE2 TYR A 61 -1.647 1.913 4.504 1.00 0.00 C ATOM 950 CZ TYR A 61 -1.727 1.983 5.880 1.00 0.00 C ATOM 951 OH TYR A 61 -2.887 1.585 6.513 1.00 0.00 O ATOM 0 H TYR A 61 0.775 4.704 1.811 1.00 0.00 H new ATOM 0 HA TYR A 61 1.978 5.302 4.465 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.998 2.652 2.946 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.756 2.964 4.495 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.332 3.209 6.566 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.432 2.251 2.792 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.729 2.497 7.700 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.486 1.551 3.929 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.671 1.236 7.403 1.00 0.00 H new ATOM 961 N ARG A 62 4.008 6.063 3.103 1.00 0.00 N ATOM 962 CA ARG A 62 5.337 6.318 2.504 1.00 0.00 C ATOM 963 C ARG A 62 6.254 5.102 2.741 1.00 0.00 C ATOM 964 O ARG A 62 6.061 4.349 3.695 1.00 0.00 O ATOM 965 CB ARG A 62 6.008 7.637 3.015 1.00 0.00 C ATOM 966 CG ARG A 62 6.098 7.825 4.557 1.00 0.00 C ATOM 967 CD ARG A 62 4.814 8.417 5.170 1.00 0.00 C ATOM 968 NE ARG A 62 4.972 8.731 6.603 1.00 0.00 N ATOM 969 CZ ARG A 62 4.338 9.721 7.254 1.00 0.00 C ATOM 970 NH1 ARG A 62 3.447 10.487 6.634 1.00 0.00 N ATOM 971 NH2 ARG A 62 4.611 9.944 8.527 1.00 0.00 N ATOM 0 H ARG A 62 3.738 6.735 3.821 1.00 0.00 H new ATOM 0 HA ARG A 62 5.185 6.462 1.434 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.018 7.685 2.607 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.457 8.481 2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.305 6.862 5.023 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.939 8.479 4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.540 9.323 4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.994 7.710 5.043 1.00 0.00 H new ATOM 0 HE ARG A 62 5.614 8.150 7.143 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.235 10.328 5.649 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.975 11.234 7.143 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.299 9.366 9.010 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.134 10.694 9.027 1.00 0.00 H new ATOM 985 N ILE A 63 7.261 4.926 1.884 1.00 0.00 N ATOM 986 CA ILE A 63 7.985 3.646 1.739 1.00 0.00 C ATOM 987 C ILE A 63 9.404 4.098 1.402 1.00 0.00 C ATOM 988 O ILE A 63 9.615 4.673 0.323 1.00 0.00 O ATOM 989 CB ILE A 63 7.436 2.679 0.608 1.00 0.00 C ATOM 990 CG1 ILE A 63 5.986 2.181 0.912 1.00 0.00 C ATOM 991 CG2 ILE A 63 8.395 1.470 0.380 1.00 0.00 C ATOM 992 CD1 ILE A 63 5.373 1.305 -0.171 1.00 0.00 C ATOM 0 H ILE A 63 7.604 5.663 1.267 1.00 0.00 H new ATOM 0 HA ILE A 63 7.884 3.047 2.644 1.00 0.00 H new ATOM 0 HB ILE A 63 7.396 3.263 -0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.997 1.623 1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.344 3.048 1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.990 0.827 -0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.376 1.836 0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.490 0.902 1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.368 1.008 0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.324 1.863 -1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.988 0.416 -0.311 1.00 0.00 H new ATOM 1004 N LEU A 64 10.372 3.892 2.299 1.00 0.00 N ATOM 1005 CA LEU A 64 11.680 4.553 2.210 1.00 0.00 C ATOM 1006 C LEU A 64 12.633 3.651 1.415 1.00 0.00 C ATOM 1007 O LEU A 64 12.946 2.548 1.879 1.00 0.00 O ATOM 1008 CB LEU A 64 12.250 4.859 3.638 1.00 0.00 C ATOM 1009 CG LEU A 64 11.611 6.076 4.391 1.00 0.00 C ATOM 1010 CD1 LEU A 64 10.101 5.886 4.639 1.00 0.00 C ATOM 1011 CD2 LEU A 64 12.354 6.362 5.713 1.00 0.00 C ATOM 0 H LEU A 64 10.275 3.269 3.101 1.00 0.00 H new ATOM 0 HA LEU A 64 11.574 5.508 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.124 3.969 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.322 5.036 3.549 1.00 0.00 H new ATOM 0 HG LEU A 64 11.720 6.943 3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.706 6.756 5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.587 5.773 3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.941 4.994 5.245 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.890 7.211 6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.300 5.485 6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.398 6.592 5.501 1.00 0.00 H new ATOM 1023 N PRO A 65 13.076 4.103 0.184 1.00 0.00 N ATOM 1024 CA PRO A 65 13.979 3.323 -0.695 1.00 0.00 C ATOM 1025 C PRO A 65 15.325 3.063 -0.021 1.00 0.00 C ATOM 1026 O PRO A 65 15.943 2.030 -0.279 1.00 0.00 O ATOM 1027 CB PRO A 65 14.140 4.204 -1.966 1.00 0.00 C ATOM 1028 CG PRO A 65 12.991 5.156 -1.906 1.00 0.00 C ATOM 1029 CD PRO A 65 12.742 5.408 -0.440 1.00 0.00 C ATOM 0 HA PRO A 65 13.578 2.336 -0.927 1.00 0.00 H new ATOM 0 HB2 PRO A 65 15.094 4.732 -1.965 1.00 0.00 H new ATOM 0 HB3 PRO A 65 14.110 3.601 -2.874 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.224 6.084 -2.428 1.00 0.00 H new ATOM 0 HG3 PRO A 65 12.108 4.734 -2.386 1.00 0.00 H new ATOM 0 HD2 PRO A 65 13.370 6.212 -0.056 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.707 5.694 -0.249 1.00 0.00 H new ATOM 1037 N ASP A 66 15.776 4.058 0.796 1.00 0.00 N ATOM 1038 CA ASP A 66 16.882 3.927 1.758 1.00 0.00 C ATOM 1039 C ASP A 66 18.192 3.513 1.062 1.00 0.00 C ATOM 1040 O ASP A 66 18.404 2.323 0.805 1.00 0.00 O ATOM 1041 CB ASP A 66 16.482 2.945 2.886 1.00 0.00 C ATOM 1042 CG ASP A 66 17.432 2.983 4.087 1.00 0.00 C ATOM 1043 OD1 ASP A 66 18.449 2.267 4.085 1.00 0.00 O ATOM 1044 OD2 ASP A 66 17.163 3.744 5.040 1.00 0.00 O ATOM 0 H ASP A 66 15.363 4.991 0.795 1.00 0.00 H new ATOM 0 HA ASP A 66 17.073 4.901 2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.472 3.181 3.222 1.00 0.00 H new ATOM 0 HB3 ASP A 66 16.456 1.932 2.484 1.00 0.00 H new ATOM 1049 N GLY A 67 19.012 4.524 0.705 1.00 0.00 N ATOM 1050 CA GLY A 67 20.250 4.345 -0.064 1.00 0.00 C ATOM 1051 C GLY A 67 21.256 3.355 0.522 1.00 0.00 C ATOM 1052 O GLY A 67 22.237 3.759 1.152 1.00 0.00 O ATOM 0 H GLY A 67 18.826 5.497 0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.987 4.016 -1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.738 5.315 -0.163 1.00 0.00 H new ATOM 1056 N GLU A 68 20.991 2.064 0.280 1.00 0.00 N ATOM 1057 CA GLU A 68 21.876 0.927 0.560 1.00 0.00 C ATOM 1058 C GLU A 68 21.484 -0.165 -0.457 1.00 0.00 C ATOM 1059 O GLU A 68 22.069 -0.224 -1.547 1.00 0.00 O ATOM 1060 CB GLU A 68 21.777 0.400 2.032 1.00 0.00 C ATOM 1061 CG GLU A 68 22.418 1.308 3.101 1.00 0.00 C ATOM 1062 CD GLU A 68 22.396 0.711 4.517 1.00 0.00 C ATOM 1063 OE1 GLU A 68 23.158 -0.248 4.773 1.00 0.00 O ATOM 1064 OE2 GLU A 68 21.650 1.210 5.390 1.00 0.00 O ATOM 0 H GLU A 68 20.108 1.770 -0.138 1.00 0.00 H new ATOM 0 HA GLU A 68 22.918 1.232 0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.725 0.261 2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 68 22.249 -0.581 2.082 1.00 0.00 H new ATOM 0 HG2 GLU A 68 23.451 1.512 2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 68 21.896 2.265 3.112 1.00 0.00 H new ATOM 1071 N ASP A 69 20.449 -0.991 -0.119 1.00 0.00 N ATOM 1072 CA ASP A 69 19.897 -2.013 -1.051 1.00 0.00 C ATOM 1073 C ASP A 69 18.467 -2.468 -0.644 1.00 0.00 C ATOM 1074 O ASP A 69 17.900 -3.375 -1.265 1.00 0.00 O ATOM 1075 CB ASP A 69 20.892 -3.221 -1.118 1.00 0.00 C ATOM 1076 CG ASP A 69 20.544 -4.312 -2.150 1.00 0.00 C ATOM 1077 OD1 ASP A 69 20.403 -3.984 -3.350 1.00 0.00 O ATOM 1078 OD2 ASP A 69 20.430 -5.499 -1.774 1.00 0.00 O ATOM 0 H ASP A 69 19.985 -0.966 0.789 1.00 0.00 H new ATOM 0 HA ASP A 69 19.796 -1.570 -2.042 1.00 0.00 H new ATOM 0 HB2 ASP A 69 21.887 -2.837 -1.343 1.00 0.00 H new ATOM 0 HB3 ASP A 69 20.943 -3.682 -0.132 1.00 0.00 H new ATOM 1083 N PHE A 70 17.855 -1.831 0.379 1.00 0.00 N ATOM 1084 CA PHE A 70 16.541 -2.272 0.911 1.00 0.00 C ATOM 1085 C PHE A 70 15.541 -1.110 1.049 1.00 0.00 C ATOM 1086 O PHE A 70 15.919 0.002 1.384 1.00 0.00 O ATOM 1087 CB PHE A 70 16.719 -3.005 2.260 1.00 0.00 C ATOM 1088 CG PHE A 70 17.342 -2.163 3.375 1.00 0.00 C ATOM 1089 CD1 PHE A 70 18.712 -1.924 3.408 1.00 0.00 C ATOM 1090 CD2 PHE A 70 16.563 -1.621 4.394 1.00 0.00 C ATOM 1091 CE1 PHE A 70 19.278 -1.175 4.413 1.00 0.00 C ATOM 1092 CE2 PHE A 70 17.134 -0.869 5.399 1.00 0.00 C ATOM 1093 CZ PHE A 70 18.490 -0.650 5.409 1.00 0.00 C ATOM 0 H PHE A 70 18.244 -1.015 0.852 1.00 0.00 H new ATOM 0 HA PHE A 70 16.119 -2.967 0.185 1.00 0.00 H new ATOM 0 HB2 PHE A 70 15.744 -3.360 2.595 1.00 0.00 H new ATOM 0 HB3 PHE A 70 17.341 -3.885 2.099 1.00 0.00 H new ATOM 0 HD1 PHE A 70 19.341 -2.333 2.632 1.00 0.00 H new ATOM 0 HD2 PHE A 70 15.497 -1.792 4.397 1.00 0.00 H new ATOM 0 HE1 PHE A 70 20.344 -0.999 4.419 1.00 0.00 H new ATOM 0 HE2 PHE A 70 16.514 -0.452 6.179 1.00 0.00 H new ATOM 0 HZ PHE A 70 18.937 -0.065 6.199 1.00 0.00 H new ATOM 1103 N LEU A 71 14.254 -1.439 0.853 1.00 0.00 N ATOM 1104 CA LEU A 71 13.122 -0.512 0.970 1.00 0.00 C ATOM 1105 C LEU A 71 12.154 -1.035 2.050 1.00 0.00 C ATOM 1106 O LEU A 71 11.790 -2.215 2.048 1.00 0.00 O ATOM 1107 CB LEU A 71 12.384 -0.293 -0.397 1.00 0.00 C ATOM 1108 CG LEU A 71 11.589 -1.505 -1.025 1.00 0.00 C ATOM 1109 CD1 LEU A 71 10.666 -1.039 -2.174 1.00 0.00 C ATOM 1110 CD2 LEU A 71 12.529 -2.639 -1.509 1.00 0.00 C ATOM 0 H LEU A 71 13.967 -2.385 0.602 1.00 0.00 H new ATOM 0 HA LEU A 71 13.506 0.465 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.683 0.532 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.126 0.031 -1.127 1.00 0.00 H new ATOM 0 HG LEU A 71 10.968 -1.914 -0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.134 -1.897 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.947 -0.315 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.266 -0.576 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.934 -3.449 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.206 -2.250 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 71 13.108 -3.016 -0.666 1.00 0.00 H new ATOM 1122 N ALA A 72 11.772 -0.162 2.993 1.00 0.00 N ATOM 1123 CA ALA A 72 10.859 -0.515 4.102 1.00 0.00 C ATOM 1124 C ALA A 72 9.564 0.293 4.000 1.00 0.00 C ATOM 1125 O ALA A 72 9.578 1.432 3.542 1.00 0.00 O ATOM 1126 CB ALA A 72 11.536 -0.269 5.462 1.00 0.00 C ATOM 0 H ALA A 72 12.084 0.809 3.013 1.00 0.00 H new ATOM 0 HA ALA A 72 10.618 -1.575 4.025 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.848 -0.535 6.264 1.00 0.00 H new ATOM 0 HB2 ALA A 72 12.435 -0.881 5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.806 0.784 5.549 1.00 0.00 H new ATOM 1132 N VAL A 73 8.453 -0.297 4.461 1.00 0.00 N ATOM 1133 CA VAL A 73 7.139 0.382 4.481 1.00 0.00 C ATOM 1134 C VAL A 73 7.004 1.125 5.809 1.00 0.00 C ATOM 1135 O VAL A 73 7.179 0.523 6.870 1.00 0.00 O ATOM 1136 CB VAL A 73 5.939 -0.617 4.306 1.00 0.00 C ATOM 1137 CG1 VAL A 73 4.556 0.110 4.345 1.00 0.00 C ATOM 1138 CG2 VAL A 73 6.104 -1.422 3.003 1.00 0.00 C ATOM 0 H VAL A 73 8.433 -1.248 4.828 1.00 0.00 H new ATOM 0 HA VAL A 73 7.098 1.071 3.638 1.00 0.00 H new ATOM 0 HB VAL A 73 5.956 -1.306 5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.757 -0.621 4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.438 0.616 5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.507 0.842 3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.267 -2.111 2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.127 -0.739 2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.036 -1.986 3.040 1.00 0.00 H new ATOM 1148 N GLN A 74 6.631 2.409 5.752 1.00 0.00 N ATOM 1149 CA GLN A 74 6.640 3.292 6.924 1.00 0.00 C ATOM 1150 C GLN A 74 5.200 3.565 7.348 1.00 0.00 C ATOM 1151 O GLN A 74 4.343 3.925 6.528 1.00 0.00 O ATOM 1152 CB GLN A 74 7.413 4.600 6.628 1.00 0.00 C ATOM 1153 CG GLN A 74 7.482 5.619 7.791 1.00 0.00 C ATOM 1154 CD GLN A 74 8.071 5.060 9.099 1.00 0.00 C ATOM 1155 OE1 GLN A 74 8.890 4.142 9.093 1.00 0.00 O ATOM 1156 NE2 GLN A 74 7.675 5.629 10.229 1.00 0.00 N ATOM 0 H GLN A 74 6.316 2.864 4.895 1.00 0.00 H new ATOM 0 HA GLN A 74 7.161 2.804 7.747 1.00 0.00 H new ATOM 0 HB2 GLN A 74 8.431 4.340 6.336 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.950 5.087 5.770 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.081 6.472 7.474 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.477 5.991 7.990 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.995 6.389 10.206 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.051 5.307 11.121 1.00 0.00 H new ATOM 1165 N THR A 75 4.958 3.389 8.640 1.00 0.00 N ATOM 1166 CA THR A 75 3.626 3.405 9.228 1.00 0.00 C ATOM 1167 C THR A 75 3.659 4.202 10.551 1.00 0.00 C ATOM 1168 O THR A 75 4.722 4.706 10.946 1.00 0.00 O ATOM 1169 CB THR A 75 3.124 1.927 9.402 1.00 0.00 C ATOM 1170 OG1 THR A 75 1.789 1.901 9.914 1.00 0.00 O ATOM 1171 CG2 THR A 75 4.053 1.103 10.310 1.00 0.00 C ATOM 0 H THR A 75 5.698 3.228 9.323 1.00 0.00 H new ATOM 0 HA THR A 75 2.913 3.910 8.576 1.00 0.00 H new ATOM 0 HB THR A 75 3.136 1.470 8.413 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.237 1.311 9.359 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.666 0.088 10.401 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.053 1.073 9.876 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.100 1.564 11.297 1.00 0.00 H new ATOM 1179 N SER A 76 2.509 4.298 11.244 1.00 0.00 N ATOM 1180 CA SER A 76 2.303 5.227 12.381 1.00 0.00 C ATOM 1181 C SER A 76 3.107 4.851 13.666 1.00 0.00 C ATOM 1182 O SER A 76 2.915 5.499 14.705 1.00 0.00 O ATOM 1183 CB SER A 76 0.780 5.294 12.684 1.00 0.00 C ATOM 1184 OG SER A 76 0.458 6.259 13.677 1.00 0.00 O ATOM 0 H SER A 76 1.688 3.731 11.032 1.00 0.00 H new ATOM 0 HA SER A 76 2.689 6.202 12.084 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.242 5.530 11.766 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.436 4.313 13.012 1.00 0.00 H new ATOM 0 HG SER A 76 1.242 6.422 14.242 1.00 0.00 H new ATOM 1190 N GLN A 77 3.995 3.815 13.578 1.00 0.00 N ATOM 1191 CA GLN A 77 4.878 3.354 14.686 1.00 0.00 C ATOM 1192 C GLN A 77 4.065 2.640 15.784 1.00 0.00 C ATOM 1193 O GLN A 77 2.950 3.054 16.109 1.00 0.00 O ATOM 1194 CB GLN A 77 5.729 4.514 15.286 1.00 0.00 C ATOM 1195 CG GLN A 77 6.657 4.115 16.453 1.00 0.00 C ATOM 1196 CD GLN A 77 7.405 5.303 17.061 1.00 0.00 C ATOM 1197 OE1 GLN A 77 7.736 6.264 16.367 1.00 0.00 O ATOM 1198 NE2 GLN A 77 7.661 5.262 18.362 1.00 0.00 N ATOM 0 H GLN A 77 4.116 3.272 12.723 1.00 0.00 H new ATOM 0 HA GLN A 77 5.576 2.636 14.256 1.00 0.00 H new ATOM 0 HB2 GLN A 77 6.337 4.945 14.491 1.00 0.00 H new ATOM 0 HB3 GLN A 77 5.054 5.297 15.631 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.066 3.630 17.230 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.381 3.381 16.099 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.375 4.453 18.913 1.00 0.00 H new ATOM 0 HE22 GLN A 77 8.144 6.040 18.812 1.00 0.00 H new ATOM 1207 N GLY A 78 4.605 1.539 16.328 1.00 0.00 N ATOM 1208 CA GLY A 78 3.904 0.704 17.299 1.00 0.00 C ATOM 1209 C GLY A 78 3.665 -0.627 16.622 1.00 0.00 C ATOM 1210 O GLY A 78 4.146 -1.676 17.060 1.00 0.00 O ATOM 0 H GLY A 78 5.543 1.207 16.102 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.498 0.578 18.204 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.961 1.163 17.597 1.00 0.00 H new ATOM 1214 N VAL A 79 2.908 -0.547 15.521 1.00 0.00 N ATOM 1215 CA VAL A 79 2.927 -1.546 14.443 1.00 0.00 C ATOM 1216 C VAL A 79 4.337 -1.566 13.784 1.00 0.00 C ATOM 1217 O VAL A 79 4.779 -0.541 13.237 1.00 0.00 O ATOM 1218 CB VAL A 79 1.795 -1.252 13.381 1.00 0.00 C ATOM 1219 CG1 VAL A 79 0.413 -1.671 13.933 1.00 0.00 C ATOM 1220 CG2 VAL A 79 1.767 0.251 12.965 1.00 0.00 C ATOM 0 H VAL A 79 2.258 0.221 15.351 1.00 0.00 H new ATOM 0 HA VAL A 79 2.723 -2.532 14.862 1.00 0.00 H new ATOM 0 HB VAL A 79 2.022 -1.842 12.493 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.355 -1.461 13.188 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.419 -2.738 14.158 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.199 -1.110 14.843 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.975 0.411 12.234 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.580 0.868 13.844 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.727 0.525 12.527 1.00 0.00 H new ATOM 1230 N PRO A 80 5.087 -2.718 13.874 1.00 0.00 N ATOM 1231 CA PRO A 80 6.527 -2.785 13.517 1.00 0.00 C ATOM 1232 C PRO A 80 6.808 -2.777 11.997 1.00 0.00 C ATOM 1233 O PRO A 80 6.615 -3.796 11.324 1.00 0.00 O ATOM 1234 CB PRO A 80 7.010 -4.124 14.180 1.00 0.00 C ATOM 1235 CG PRO A 80 5.845 -4.607 15.001 1.00 0.00 C ATOM 1236 CD PRO A 80 4.614 -4.050 14.332 1.00 0.00 C ATOM 0 HA PRO A 80 7.056 -1.900 13.871 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.289 -4.858 13.424 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.889 -3.959 14.804 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.814 -5.696 15.033 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.922 -4.260 16.031 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.284 -4.673 13.501 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.775 -3.970 15.023 1.00 0.00 H new ATOM 1244 N VAL A 81 7.164 -1.582 11.470 1.00 0.00 N ATOM 1245 CA VAL A 81 7.910 -1.426 10.184 1.00 0.00 C ATOM 1246 C VAL A 81 8.957 -2.547 9.954 1.00 0.00 C ATOM 1247 O VAL A 81 9.860 -2.754 10.774 1.00 0.00 O ATOM 1248 CB VAL A 81 8.659 -0.028 10.147 1.00 0.00 C ATOM 1249 CG1 VAL A 81 9.595 0.115 8.908 1.00 0.00 C ATOM 1250 CG2 VAL A 81 7.653 1.147 10.213 1.00 0.00 C ATOM 0 H VAL A 81 6.945 -0.693 11.920 1.00 0.00 H new ATOM 0 HA VAL A 81 7.164 -1.488 9.392 1.00 0.00 H new ATOM 0 HB VAL A 81 9.293 0.009 11.033 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.083 1.089 8.931 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.351 -0.670 8.931 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.006 0.026 7.995 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.195 2.092 10.186 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.975 1.093 9.362 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.080 1.084 11.138 1.00 0.00 H new ATOM 1260 N ARG A 82 8.782 -3.286 8.841 1.00 0.00 N ATOM 1261 CA ARG A 82 9.702 -4.341 8.393 1.00 0.00 C ATOM 1262 C ARG A 82 10.378 -3.890 7.089 1.00 0.00 C ATOM 1263 O ARG A 82 9.743 -3.224 6.254 1.00 0.00 O ATOM 1264 CB ARG A 82 8.917 -5.668 8.171 1.00 0.00 C ATOM 1265 CG ARG A 82 8.120 -6.156 9.404 1.00 0.00 C ATOM 1266 CD ARG A 82 9.018 -6.434 10.632 1.00 0.00 C ATOM 1267 NE ARG A 82 8.249 -6.897 11.805 1.00 0.00 N ATOM 1268 CZ ARG A 82 7.879 -8.169 12.038 1.00 0.00 C ATOM 1269 NH1 ARG A 82 8.129 -9.135 11.162 1.00 0.00 N ATOM 1270 NH2 ARG A 82 7.242 -8.464 13.153 1.00 0.00 N ATOM 0 H ARG A 82 7.983 -3.162 8.220 1.00 0.00 H new ATOM 0 HA ARG A 82 10.465 -4.517 9.152 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.227 -5.532 7.339 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.621 -6.447 7.878 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.375 -5.406 9.668 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.579 -7.065 9.143 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.762 -7.186 10.370 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.561 -5.526 10.894 1.00 0.00 H new ATOM 0 HE ARG A 82 7.977 -6.196 12.494 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.612 -8.920 10.290 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.838 -10.092 11.362 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.033 -7.731 13.831 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.957 -9.426 13.339 1.00 0.00 H new ATOM 1284 N ARG A 83 11.668 -4.221 6.934 1.00 0.00 N ATOM 1285 CA ARG A 83 12.457 -3.888 5.731 1.00 0.00 C ATOM 1286 C ARG A 83 12.522 -5.084 4.760 1.00 0.00 C ATOM 1287 O ARG A 83 12.615 -6.246 5.180 1.00 0.00 O ATOM 1288 CB ARG A 83 13.880 -3.406 6.141 1.00 0.00 C ATOM 1289 CG ARG A 83 14.635 -4.335 7.128 1.00 0.00 C ATOM 1290 CD ARG A 83 16.056 -3.830 7.469 1.00 0.00 C ATOM 1291 NE ARG A 83 16.693 -4.611 8.549 1.00 0.00 N ATOM 1292 CZ ARG A 83 17.382 -5.756 8.400 1.00 0.00 C ATOM 1293 NH1 ARG A 83 17.488 -6.358 7.220 1.00 0.00 N ATOM 1294 NH2 ARG A 83 17.944 -6.308 9.457 1.00 0.00 N ATOM 0 H ARG A 83 12.199 -4.730 7.641 1.00 0.00 H new ATOM 0 HA ARG A 83 11.961 -3.074 5.203 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.482 -3.295 5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 83 13.795 -2.417 6.591 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.057 -4.424 8.048 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.704 -5.334 6.697 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.679 -3.878 6.576 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.004 -2.782 7.766 1.00 0.00 H new ATOM 0 HE ARG A 83 16.602 -4.247 9.498 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.040 -5.952 6.398 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.017 -7.226 7.136 1.00 0.00 H new ATOM 0 HH21 ARG A 83 17.853 -5.867 10.372 1.00 0.00 H new ATOM 0 HH22 ARG A 83 18.470 -7.177 9.360 1.00 0.00 H new ATOM 1308 N PHE A 84 12.471 -4.769 3.455 1.00 0.00 N ATOM 1309 CA PHE A 84 12.435 -5.757 2.349 1.00 0.00 C ATOM 1310 C PHE A 84 13.433 -5.328 1.278 1.00 0.00 C ATOM 1311 O PHE A 84 13.865 -4.193 1.274 1.00 0.00 O ATOM 1312 CB PHE A 84 11.016 -5.847 1.728 1.00 0.00 C ATOM 1313 CG PHE A 84 9.928 -6.084 2.762 1.00 0.00 C ATOM 1314 CD1 PHE A 84 9.739 -7.343 3.328 1.00 0.00 C ATOM 1315 CD2 PHE A 84 9.115 -5.039 3.190 1.00 0.00 C ATOM 1316 CE1 PHE A 84 8.768 -7.548 4.284 1.00 0.00 C ATOM 1317 CE2 PHE A 84 8.150 -5.248 4.139 1.00 0.00 C ATOM 1318 CZ PHE A 84 7.974 -6.499 4.686 1.00 0.00 C ATOM 0 H PHE A 84 12.453 -3.803 3.127 1.00 0.00 H new ATOM 0 HA PHE A 84 12.696 -6.739 2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.802 -4.924 1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.996 -6.655 0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 84 10.361 -8.168 3.014 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.246 -4.053 2.769 1.00 0.00 H new ATOM 0 HE1 PHE A 84 8.631 -8.528 4.716 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.524 -4.428 4.460 1.00 0.00 H new ATOM 0 HZ PHE A 84 7.210 -6.657 5.433 1.00 0.00 H new ATOM 1328 N GLN A 85 13.799 -6.235 0.381 1.00 0.00 N ATOM 1329 CA GLN A 85 14.673 -5.916 -0.764 1.00 0.00 C ATOM 1330 C GLN A 85 14.175 -6.657 -2.021 1.00 0.00 C ATOM 1331 O GLN A 85 14.906 -7.449 -2.627 1.00 0.00 O ATOM 1332 CB GLN A 85 16.154 -6.249 -0.410 1.00 0.00 C ATOM 1333 CG GLN A 85 16.401 -7.691 0.103 1.00 0.00 C ATOM 1334 CD GLN A 85 17.879 -8.063 0.253 1.00 0.00 C ATOM 1335 OE1 GLN A 85 18.732 -7.559 -0.626 1.00 0.00 O flip ATOM 1336 NE2 GLN A 85 18.246 -8.833 1.135 1.00 0.00 N flip ATOM 0 H GLN A 85 13.505 -7.211 0.417 1.00 0.00 H new ATOM 0 HA GLN A 85 14.632 -4.849 -0.984 1.00 0.00 H new ATOM 0 HB2 GLN A 85 16.768 -6.085 -1.295 1.00 0.00 H new ATOM 0 HB3 GLN A 85 16.496 -5.546 0.350 1.00 0.00 H new ATOM 0 HG2 GLN A 85 15.909 -7.810 1.068 1.00 0.00 H new ATOM 0 HG3 GLN A 85 15.930 -8.394 -0.584 1.00 0.00 H new ATOM 0 HE21 GLN A 85 17.569 -9.207 1.800 1.00 0.00 H new ATOM 0 HE22 GLN A 85 19.228 -9.099 1.204 1.00 0.00 H new ATOM 1345 N THR A 86 12.928 -6.300 -2.438 1.00 0.00 N ATOM 1346 CA THR A 86 12.126 -6.930 -3.513 1.00 0.00 C ATOM 1347 C THR A 86 10.640 -6.754 -3.129 1.00 0.00 C ATOM 1348 O THR A 86 10.264 -6.934 -1.952 1.00 0.00 O ATOM 1349 CB THR A 86 12.426 -8.443 -3.860 1.00 0.00 C ATOM 1350 OG1 THR A 86 11.801 -8.778 -5.101 1.00 0.00 O ATOM 1351 CG2 THR A 86 11.959 -9.429 -2.790 1.00 0.00 C ATOM 0 H THR A 86 12.432 -5.521 -2.005 1.00 0.00 H new ATOM 0 HA THR A 86 12.408 -6.420 -4.434 1.00 0.00 H new ATOM 0 HB THR A 86 13.511 -8.533 -3.920 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.987 -9.715 -5.319 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.201 -10.445 -3.101 1.00 0.00 H new ATOM 0 HG22 THR A 86 12.462 -9.209 -1.848 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.881 -9.337 -2.656 1.00 0.00 H new ATOM 1359 N LEU A 87 9.815 -6.327 -4.105 1.00 0.00 N ATOM 1360 CA LEU A 87 8.356 -6.159 -3.931 1.00 0.00 C ATOM 1361 C LEU A 87 7.666 -7.482 -3.543 1.00 0.00 C ATOM 1362 O LEU A 87 6.641 -7.465 -2.860 1.00 0.00 O ATOM 1363 CB LEU A 87 7.736 -5.583 -5.231 1.00 0.00 C ATOM 1364 CG LEU A 87 8.284 -4.188 -5.679 1.00 0.00 C ATOM 1365 CD1 LEU A 87 7.727 -3.792 -7.059 1.00 0.00 C ATOM 1366 CD2 LEU A 87 7.992 -3.094 -4.619 1.00 0.00 C ATOM 0 H LEU A 87 10.142 -6.087 -5.041 1.00 0.00 H new ATOM 0 HA LEU A 87 8.194 -5.460 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.903 -6.296 -6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.658 -5.503 -5.094 1.00 0.00 H new ATOM 0 HG LEU A 87 9.367 -4.273 -5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.124 -2.818 -7.346 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.023 -4.537 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.639 -3.740 -7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.387 -2.138 -4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.915 -3.009 -4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.468 -3.364 -3.676 1.00 0.00 H new ATOM 1378 N GLY A 88 8.250 -8.614 -3.998 1.00 0.00 N ATOM 1379 CA GLY A 88 7.784 -9.962 -3.640 1.00 0.00 C ATOM 1380 C GLY A 88 7.616 -10.196 -2.139 1.00 0.00 C ATOM 1381 O GLY A 88 6.582 -10.704 -1.701 1.00 0.00 O ATOM 0 H GLY A 88 9.056 -8.613 -4.623 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.829 -10.146 -4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.491 -10.693 -4.032 1.00 0.00 H new ATOM 1385 N GLU A 89 8.625 -9.786 -1.347 1.00 0.00 N ATOM 1386 CA GLU A 89 8.604 -9.953 0.123 1.00 0.00 C ATOM 1387 C GLU A 89 7.675 -8.931 0.795 1.00 0.00 C ATOM 1388 O GLU A 89 7.094 -9.224 1.848 1.00 0.00 O ATOM 1389 CB GLU A 89 10.034 -9.843 0.712 1.00 0.00 C ATOM 1390 CG GLU A 89 10.986 -10.973 0.282 1.00 0.00 C ATOM 1391 CD GLU A 89 10.476 -12.378 0.637 1.00 0.00 C ATOM 1392 OE1 GLU A 89 10.457 -12.726 1.841 1.00 0.00 O ATOM 1393 OE2 GLU A 89 10.092 -13.140 -0.279 1.00 0.00 O ATOM 0 H GLU A 89 9.469 -9.335 -1.700 1.00 0.00 H new ATOM 0 HA GLU A 89 8.215 -10.950 0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.465 -8.888 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.966 -9.835 1.800 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.142 -10.914 -0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.956 -10.818 0.754 1.00 0.00 H new ATOM 1400 N LEU A 90 7.532 -7.740 0.174 1.00 0.00 N ATOM 1401 CA LEU A 90 6.704 -6.642 0.704 1.00 0.00 C ATOM 1402 C LEU A 90 5.224 -7.064 0.675 1.00 0.00 C ATOM 1403 O LEU A 90 4.578 -7.189 1.723 1.00 0.00 O ATOM 1404 CB LEU A 90 6.983 -5.355 -0.155 1.00 0.00 C ATOM 1405 CG LEU A 90 6.472 -3.965 0.383 1.00 0.00 C ATOM 1406 CD1 LEU A 90 7.169 -2.797 -0.363 1.00 0.00 C ATOM 1407 CD2 LEU A 90 4.927 -3.806 0.290 1.00 0.00 C ATOM 0 H LEU A 90 7.989 -7.516 -0.710 1.00 0.00 H new ATOM 0 HA LEU A 90 6.953 -6.417 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.061 -5.279 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.542 -5.512 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 90 6.735 -3.933 1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.801 -1.847 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.246 -2.859 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.950 -2.864 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.638 -2.828 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.614 -3.892 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.445 -4.586 0.880 1.00 0.00 H new ATOM 1419 N ILE A 91 4.719 -7.294 -0.546 1.00 0.00 N ATOM 1420 CA ILE A 91 3.336 -7.744 -0.799 1.00 0.00 C ATOM 1421 C ILE A 91 3.060 -9.103 -0.124 1.00 0.00 C ATOM 1422 O ILE A 91 1.983 -9.314 0.444 1.00 0.00 O ATOM 1423 CB ILE A 91 3.058 -7.846 -2.347 1.00 0.00 C ATOM 1424 CG1 ILE A 91 3.460 -6.523 -3.081 1.00 0.00 C ATOM 1425 CG2 ILE A 91 1.579 -8.217 -2.648 1.00 0.00 C ATOM 1426 CD1 ILE A 91 2.712 -5.267 -2.651 1.00 0.00 C ATOM 0 H ILE A 91 5.265 -7.172 -1.399 1.00 0.00 H new ATOM 0 HA ILE A 91 2.663 -7.003 -0.367 1.00 0.00 H new ATOM 0 HB ILE A 91 3.681 -8.653 -2.731 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.527 -6.357 -2.930 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.308 -6.664 -4.151 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.431 -8.277 -3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.346 -9.181 -2.196 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.921 -7.454 -2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.073 -4.414 -3.226 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.645 -5.400 -2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.882 -5.088 -1.589 1.00 0.00 H new ATOM 1438 N GLY A 92 4.074 -9.989 -0.179 1.00 0.00 N ATOM 1439 CA GLY A 92 4.000 -11.324 0.417 1.00 0.00 C ATOM 1440 C GLY A 92 3.683 -11.314 1.912 1.00 0.00 C ATOM 1441 O GLY A 92 2.802 -12.058 2.366 1.00 0.00 O ATOM 0 H GLY A 92 4.963 -9.793 -0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.236 -11.902 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.950 -11.835 0.260 1.00 0.00 H new ATOM 1445 N LEU A 93 4.395 -10.458 2.672 1.00 0.00 N ATOM 1446 CA LEU A 93 4.211 -10.350 4.133 1.00 0.00 C ATOM 1447 C LEU A 93 2.950 -9.537 4.479 1.00 0.00 C ATOM 1448 O LEU A 93 2.167 -9.948 5.341 1.00 0.00 O ATOM 1449 CB LEU A 93 5.464 -9.734 4.813 1.00 0.00 C ATOM 1450 CG LEU A 93 5.447 -9.733 6.382 1.00 0.00 C ATOM 1451 CD1 LEU A 93 5.303 -11.166 6.945 1.00 0.00 C ATOM 1452 CD2 LEU A 93 6.685 -9.025 6.973 1.00 0.00 C ATOM 0 H LEU A 93 5.105 -9.829 2.296 1.00 0.00 H new ATOM 0 HA LEU A 93 4.078 -11.360 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.345 -10.281 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.576 -8.706 4.467 1.00 0.00 H new ATOM 0 HG LEU A 93 4.571 -9.162 6.690 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.295 -11.130 8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.371 -11.605 6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 93 6.142 -11.775 6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.632 -9.048 8.061 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.589 -9.537 6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.709 -7.990 6.632 1.00 0.00 H new ATOM 1464 N TYR A 94 2.727 -8.408 3.775 1.00 0.00 N ATOM 1465 CA TYR A 94 1.628 -7.464 4.088 1.00 0.00 C ATOM 1466 C TYR A 94 0.262 -7.927 3.522 1.00 0.00 C ATOM 1467 O TYR A 94 -0.763 -7.263 3.741 1.00 0.00 O ATOM 1468 CB TYR A 94 1.999 -6.040 3.581 1.00 0.00 C ATOM 1469 CG TYR A 94 2.916 -5.240 4.529 1.00 0.00 C ATOM 1470 CD1 TYR A 94 2.417 -4.704 5.721 1.00 0.00 C ATOM 1471 CD2 TYR A 94 4.255 -5.000 4.229 1.00 0.00 C ATOM 1472 CE1 TYR A 94 3.222 -3.965 6.573 1.00 0.00 C ATOM 1473 CE2 TYR A 94 5.054 -4.264 5.083 1.00 0.00 C ATOM 1474 CZ TYR A 94 4.540 -3.747 6.248 1.00 0.00 C ATOM 1475 OH TYR A 94 5.349 -3.006 7.093 1.00 0.00 O ATOM 0 H TYR A 94 3.298 -8.124 2.979 1.00 0.00 H new ATOM 0 HA TYR A 94 1.510 -7.439 5.171 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.490 -6.130 2.612 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.081 -5.475 3.422 1.00 0.00 H new ATOM 0 HD1 TYR A 94 1.382 -4.870 5.983 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.675 -5.395 3.316 1.00 0.00 H new ATOM 0 HE1 TYR A 94 2.816 -3.562 7.489 1.00 0.00 H new ATOM 0 HE2 TYR A 94 6.091 -4.094 4.833 1.00 0.00 H new ATOM 0 HH TYR A 94 6.251 -2.948 6.715 1.00 0.00 H new ATOM 1485 N ALA A 95 0.240 -9.073 2.810 1.00 0.00 N ATOM 1486 CA ALA A 95 -1.016 -9.789 2.471 1.00 0.00 C ATOM 1487 C ALA A 95 -1.625 -10.451 3.735 1.00 0.00 C ATOM 1488 O ALA A 95 -2.745 -10.970 3.708 1.00 0.00 O ATOM 1489 CB ALA A 95 -0.749 -10.839 1.378 1.00 0.00 C ATOM 0 H ALA A 95 1.081 -9.528 2.455 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.738 -9.067 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.677 -11.358 1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.367 -10.345 0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.013 -11.559 1.737 1.00 0.00 H new ATOM 1495 N GLN A 96 -0.848 -10.427 4.827 1.00 0.00 N ATOM 1496 CA GLN A 96 -1.248 -10.898 6.155 1.00 0.00 C ATOM 1497 C GLN A 96 -1.463 -9.611 7.010 1.00 0.00 C ATOM 1498 O GLN A 96 -0.523 -8.826 7.150 1.00 0.00 O ATOM 1499 CB GLN A 96 -0.114 -11.831 6.705 1.00 0.00 C ATOM 1500 CG GLN A 96 -0.494 -12.806 7.842 1.00 0.00 C ATOM 1501 CD GLN A 96 -0.771 -12.140 9.185 1.00 0.00 C ATOM 1502 OE1 GLN A 96 -1.911 -11.840 9.518 1.00 0.00 O ATOM 1503 NE2 GLN A 96 0.280 -11.862 9.947 1.00 0.00 N ATOM 0 H GLN A 96 0.106 -10.067 4.807 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.165 -11.487 6.163 1.00 0.00 H new ATOM 0 HB2 GLN A 96 0.275 -12.417 5.873 1.00 0.00 H new ATOM 0 HB3 GLN A 96 0.701 -11.200 7.059 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -1.378 -13.367 7.541 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.313 -13.527 7.969 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.216 -12.126 9.640 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.151 -11.385 10.839 1.00 0.00 H new ATOM 1512 N PRO A 97 -2.702 -9.350 7.553 1.00 0.00 N ATOM 1513 CA PRO A 97 -3.042 -8.059 8.236 1.00 0.00 C ATOM 1514 C PRO A 97 -2.386 -7.884 9.639 1.00 0.00 C ATOM 1515 O PRO A 97 -1.484 -8.646 10.017 1.00 0.00 O ATOM 1516 CB PRO A 97 -4.595 -8.134 8.333 1.00 0.00 C ATOM 1517 CG PRO A 97 -4.885 -9.601 8.447 1.00 0.00 C ATOM 1518 CD PRO A 97 -3.875 -10.273 7.534 1.00 0.00 C ATOM 0 HA PRO A 97 -2.664 -7.196 7.687 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.967 -7.586 9.199 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -5.071 -7.701 7.453 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -4.778 -9.946 9.475 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -5.906 -9.827 8.140 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.608 -11.266 7.896 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.269 -10.397 6.525 1.00 0.00 H new ATOM 1526 N ASN A 98 -2.893 -6.873 10.402 1.00 0.00 N ATOM 1527 CA ASN A 98 -2.369 -6.466 11.735 1.00 0.00 C ATOM 1528 C ASN A 98 -0.871 -6.090 11.670 1.00 0.00 C ATOM 1529 O ASN A 98 -0.080 -6.485 12.525 1.00 0.00 O ATOM 1530 CB ASN A 98 -2.646 -7.574 12.808 1.00 0.00 C ATOM 1531 CG ASN A 98 -4.135 -7.837 13.073 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -4.991 -7.583 12.226 1.00 0.00 O ATOM 1533 ND2 ASN A 98 -4.456 -8.375 14.246 1.00 0.00 N ATOM 0 H ASN A 98 -3.689 -6.311 10.101 1.00 0.00 H new ATOM 0 HA ASN A 98 -2.905 -5.568 12.043 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.177 -8.503 12.484 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.168 -7.285 13.744 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -5.430 -8.587 14.460 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -3.728 -8.576 14.931 1.00 0.00 H new ATOM 1540 N GLN A 99 -0.505 -5.308 10.632 1.00 0.00 N ATOM 1541 CA GLN A 99 0.905 -4.884 10.385 1.00 0.00 C ATOM 1542 C GLN A 99 1.017 -3.366 10.111 1.00 0.00 C ATOM 1543 O GLN A 99 2.097 -2.877 9.754 1.00 0.00 O ATOM 1544 CB GLN A 99 1.523 -5.703 9.212 1.00 0.00 C ATOM 1545 CG GLN A 99 1.700 -7.218 9.482 1.00 0.00 C ATOM 1546 CD GLN A 99 2.441 -7.971 8.369 1.00 0.00 C ATOM 1547 OE1 GLN A 99 3.295 -7.412 7.680 1.00 0.00 O ATOM 1548 NE2 GLN A 99 2.125 -9.250 8.190 1.00 0.00 N ATOM 0 H GLN A 99 -1.166 -4.951 9.942 1.00 0.00 H new ATOM 0 HA GLN A 99 1.470 -5.089 11.294 1.00 0.00 H new ATOM 0 HB2 GLN A 99 0.892 -5.579 8.332 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.497 -5.278 8.968 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.243 -7.348 10.418 1.00 0.00 H new ATOM 0 HG3 GLN A 99 0.717 -7.669 9.619 1.00 0.00 H new ATOM 0 HE21 GLN A 99 1.413 -9.686 8.776 1.00 0.00 H new ATOM 0 HE22 GLN A 99 2.594 -9.795 7.467 1.00 0.00 H new ATOM 1557 N GLY A 100 -0.087 -2.624 10.300 1.00 0.00 N ATOM 1558 CA GLY A 100 -0.124 -1.175 10.040 1.00 0.00 C ATOM 1559 C GLY A 100 -1.142 -0.809 8.977 1.00 0.00 C ATOM 1560 O GLY A 100 -1.571 0.342 8.885 1.00 0.00 O ATOM 0 H GLY A 100 -0.971 -3.007 10.634 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.361 -0.648 10.964 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.864 -0.839 9.725 1.00 0.00 H new ATOM 1564 N LEU A 101 -1.523 -1.818 8.180 1.00 0.00 N ATOM 1565 CA LEU A 101 -2.481 -1.662 7.081 1.00 0.00 C ATOM 1566 C LEU A 101 -3.940 -1.642 7.588 1.00 0.00 C ATOM 1567 O LEU A 101 -4.317 -2.440 8.450 1.00 0.00 O ATOM 1568 CB LEU A 101 -2.301 -2.788 6.043 1.00 0.00 C ATOM 1569 CG LEU A 101 -0.905 -2.892 5.358 1.00 0.00 C ATOM 1570 CD1 LEU A 101 -0.917 -3.979 4.273 1.00 0.00 C ATOM 1571 CD2 LEU A 101 -0.440 -1.536 4.775 1.00 0.00 C ATOM 0 H LEU A 101 -1.172 -2.770 8.282 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.277 -0.701 6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -2.511 -3.739 6.533 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.053 -2.657 5.265 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.185 -3.173 6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.066 -4.037 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.162 -4.941 4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.664 -3.732 3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.537 -1.657 4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.159 -1.195 4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.371 -0.800 5.576 1.00 0.00 H new ATOM 1583 N VAL A 102 -4.728 -0.694 7.041 1.00 0.00 N ATOM 1584 CA VAL A 102 -6.195 -0.617 7.250 1.00 0.00 C ATOM 1585 C VAL A 102 -6.885 -1.909 6.751 1.00 0.00 C ATOM 1586 O VAL A 102 -7.870 -2.373 7.334 1.00 0.00 O ATOM 1587 CB VAL A 102 -6.821 0.659 6.561 1.00 0.00 C ATOM 1588 CG1 VAL A 102 -6.296 1.950 7.231 1.00 0.00 C ATOM 1589 CG2 VAL A 102 -6.557 0.678 5.028 1.00 0.00 C ATOM 0 H VAL A 102 -4.366 0.045 6.438 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.369 -0.523 8.322 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.901 0.612 6.699 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.738 2.819 6.743 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.568 1.949 8.286 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.211 1.994 7.136 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.004 1.572 4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -5.483 0.683 4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -6.999 -0.208 4.572 1.00 0.00 H new ATOM 1599 N CYS A 103 -6.316 -2.496 5.687 1.00 0.00 N ATOM 1600 CA CYS A 103 -6.754 -3.770 5.112 1.00 0.00 C ATOM 1601 C CYS A 103 -5.533 -4.541 4.607 1.00 0.00 C ATOM 1602 O CYS A 103 -4.539 -3.933 4.195 1.00 0.00 O ATOM 1603 CB CYS A 103 -7.735 -3.543 3.945 1.00 0.00 C ATOM 1604 SG CYS A 103 -8.332 -5.067 3.189 1.00 0.00 S ATOM 0 H CYS A 103 -5.522 -2.087 5.194 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.267 -4.341 5.886 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -8.588 -2.969 4.306 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.244 -2.938 3.182 1.00 0.00 H new ATOM 0 HG CYS A 103 -7.345 -5.676 2.602 1.00 0.00 H new ATOM 1610 N ALA A 104 -5.630 -5.882 4.616 1.00 0.00 N ATOM 1611 CA ALA A 104 -4.600 -6.754 4.025 1.00 0.00 C ATOM 1612 C ALA A 104 -4.589 -6.569 2.496 1.00 0.00 C ATOM 1613 O ALA A 104 -5.613 -6.181 1.909 1.00 0.00 O ATOM 1614 CB ALA A 104 -4.853 -8.222 4.400 1.00 0.00 C ATOM 0 H ALA A 104 -6.415 -6.387 5.028 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.623 -6.476 4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.082 -8.850 3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.827 -8.330 5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.831 -8.529 4.028 1.00 0.00 H new ATOM 1620 N LEU A 105 -3.438 -6.816 1.862 1.00 0.00 N ATOM 1621 CA LEU A 105 -3.292 -6.635 0.412 1.00 0.00 C ATOM 1622 C LEU A 105 -4.110 -7.711 -0.346 1.00 0.00 C ATOM 1623 O LEU A 105 -3.656 -8.844 -0.518 1.00 0.00 O ATOM 1624 CB LEU A 105 -1.790 -6.656 0.028 1.00 0.00 C ATOM 1625 CG LEU A 105 -0.893 -5.599 0.760 1.00 0.00 C ATOM 1626 CD1 LEU A 105 0.555 -5.649 0.261 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -1.469 -4.165 0.659 1.00 0.00 C ATOM 0 H LEU A 105 -2.592 -7.142 2.330 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.691 -5.664 0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.393 -7.650 0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.705 -6.497 -1.047 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.894 -5.869 1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.148 -4.903 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.970 -6.640 0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.579 -5.440 -0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.811 -3.471 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.543 -3.875 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.459 -4.138 1.113 1.00 0.00 H new ATOM 1639 N LEU A 106 -5.346 -7.339 -0.745 1.00 0.00 N ATOM 1640 CA LEU A 106 -6.314 -8.239 -1.406 1.00 0.00 C ATOM 1641 C LEU A 106 -6.332 -8.005 -2.931 1.00 0.00 C ATOM 1642 O LEU A 106 -5.880 -8.854 -3.704 1.00 0.00 O ATOM 1643 CB LEU A 106 -7.740 -8.012 -0.809 1.00 0.00 C ATOM 1644 CG LEU A 106 -7.904 -8.276 0.723 1.00 0.00 C ATOM 1645 CD1 LEU A 106 -9.301 -7.853 1.220 1.00 0.00 C ATOM 1646 CD2 LEU A 106 -7.614 -9.753 1.076 1.00 0.00 C ATOM 0 H LEU A 106 -5.703 -6.392 -0.615 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.008 -9.269 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.035 -6.982 -1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.440 -8.655 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.167 -7.661 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -9.382 -8.050 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.446 -6.789 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -10.064 -8.421 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.737 -9.902 2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.308 -10.399 0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.592 -10.001 0.790 1.00 0.00 H new ATOM 1658 N LEU A 107 -6.811 -6.814 -3.346 1.00 0.00 N ATOM 1659 CA LEU A 107 -7.178 -6.532 -4.753 1.00 0.00 C ATOM 1660 C LEU A 107 -6.101 -5.612 -5.385 1.00 0.00 C ATOM 1661 O LEU A 107 -5.971 -4.465 -4.953 1.00 0.00 O ATOM 1662 CB LEU A 107 -8.605 -5.881 -4.799 1.00 0.00 C ATOM 1663 CG LEU A 107 -9.480 -6.182 -6.068 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -10.917 -5.667 -5.884 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -8.870 -5.621 -7.373 1.00 0.00 C ATOM 0 H LEU A 107 -6.955 -6.022 -2.719 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.215 -7.455 -5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.158 -6.211 -3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.488 -4.800 -4.715 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.501 -7.267 -6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.500 -5.889 -6.778 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.372 -6.157 -5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.899 -4.589 -5.721 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.522 -5.862 -8.213 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -8.769 -4.539 -7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.888 -6.066 -7.536 1.00 0.00 H new ATOM 1677 N PRO A 108 -5.309 -6.111 -6.410 1.00 0.00 N ATOM 1678 CA PRO A 108 -4.208 -5.333 -7.055 1.00 0.00 C ATOM 1679 C PRO A 108 -4.700 -4.045 -7.744 1.00 0.00 C ATOM 1680 O PRO A 108 -4.010 -3.022 -7.723 1.00 0.00 O ATOM 1681 CB PRO A 108 -3.611 -6.324 -8.099 1.00 0.00 C ATOM 1682 CG PRO A 108 -4.051 -7.673 -7.632 1.00 0.00 C ATOM 1683 CD PRO A 108 -5.414 -7.464 -7.008 1.00 0.00 C ATOM 0 HA PRO A 108 -3.484 -4.988 -6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.980 -6.112 -9.103 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -2.524 -6.253 -8.137 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.104 -8.377 -8.462 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -3.348 -8.086 -6.909 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.209 -7.515 -7.752 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.633 -8.221 -6.255 1.00 0.00 H new ATOM 1691 N VAL A 109 -5.895 -4.138 -8.354 1.00 0.00 N ATOM 1692 CA VAL A 109 -6.555 -3.039 -9.074 1.00 0.00 C ATOM 1693 C VAL A 109 -5.747 -2.670 -10.351 1.00 0.00 C ATOM 1694 O VAL A 109 -5.971 -3.325 -11.400 1.00 0.00 O ATOM 1695 CB VAL A 109 -6.838 -1.784 -8.145 1.00 0.00 C ATOM 1696 CG1 VAL A 109 -7.662 -0.714 -8.875 1.00 0.00 C ATOM 1697 CG2 VAL A 109 -7.550 -2.196 -6.833 1.00 0.00 C ATOM 1698 OXT VAL A 109 -4.881 -1.761 -10.319 1.00 0.00 O ATOM 0 H VAL A 109 -6.440 -5.000 -8.359 1.00 0.00 H new ATOM 0 HA VAL A 109 -7.538 -3.388 -9.390 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.868 -1.357 -7.892 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.836 0.130 -8.207 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.118 -0.374 -9.756 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.619 -1.137 -9.181 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -7.728 -1.311 -6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -8.502 -2.671 -7.069 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.922 -2.897 -6.283 1.00 0.00 H new TER 1708 VAL A 109