USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 738 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 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 11 THR OG1 : rot -60:sc= -0.961 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0372 (180deg=-0.404) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 6 ASN : amide:sc= -1.17! X(o=-1.2!,f=-0.81) USER MOD Single : A 8 SER OG : rot 180:sc= -0.275! USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.571 USER MOD Single : A 29 GLN : amide:sc= -0.653 K(o=-0.65,f=-3.2!) USER MOD Single : A 35 HIS : no HD1:sc= -0.021 X(o=-0.021,f=-0.28) USER MOD Single : A 36 GLN : amide:sc= -0.43 X(o=-0.43,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 46 SER OG : rot -63:sc= 0.143 USER MOD Single : A 48 GLN :FLIP amide:sc= 0.0413 F(o=-1.3,f=0.041) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 173:sc= 0.648 (180deg=0.527) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00122 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -179:sc= -0.179 USER MOD Single : A 73 MET CE :methyl -161:sc= -0.0578 (180deg=-0.914) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.327) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0087 X(o=-0.0087,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.326 -11.618 -4.397 1.00 0.00 N ATOM 2 CA MET A 1 -20.522 -11.810 -5.637 1.00 0.00 C ATOM 3 C MET A 1 -20.999 -10.828 -6.701 1.00 0.00 C ATOM 4 O MET A 1 -20.230 -9.994 -7.179 1.00 0.00 O ATOM 5 CB MET A 1 -20.691 -13.246 -6.137 1.00 0.00 C ATOM 6 CG MET A 1 -20.094 -14.217 -5.115 1.00 0.00 C ATOM 7 SD MET A 1 -20.218 -15.909 -5.746 1.00 0.00 S ATOM 8 CE MET A 1 -19.890 -16.760 -4.183 1.00 0.00 C ATOM 0 H1 MET A 1 -20.828 -12.047 -3.591 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.457 -10.601 -4.222 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.255 -12.072 -4.512 1.00 0.00 H new ATOM 0 HA MET A 1 -19.468 -11.629 -5.426 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.747 -13.467 -6.290 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.197 -13.367 -7.101 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.051 -13.964 -4.924 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.622 -14.132 -4.165 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.919 -17.838 -4.343 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.906 -16.474 -3.813 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.648 -16.481 -3.451 1.00 0.00 H new ATOM 18 N VAL A 2 -22.273 -10.933 -7.068 1.00 0.00 N ATOM 19 CA VAL A 2 -22.847 -10.050 -8.080 1.00 0.00 C ATOM 20 C VAL A 2 -21.871 -9.845 -9.236 1.00 0.00 C ATOM 21 O VAL A 2 -21.056 -8.924 -9.213 1.00 0.00 O ATOM 22 CB VAL A 2 -23.194 -8.696 -7.458 1.00 0.00 C ATOM 23 CG1 VAL A 2 -23.969 -7.851 -8.472 1.00 0.00 C ATOM 24 CG2 VAL A 2 -24.058 -8.913 -6.214 1.00 0.00 C ATOM 0 H VAL A 2 -22.925 -11.616 -6.683 1.00 0.00 H new ATOM 0 HA VAL A 2 -23.754 -10.517 -8.465 1.00 0.00 H new ATOM 0 HB VAL A 2 -22.275 -8.179 -7.179 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -24.216 -6.886 -8.029 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -23.356 -7.696 -9.360 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -24.887 -8.368 -8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -24.306 -7.949 -5.770 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -24.976 -9.430 -6.494 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -23.509 -9.515 -5.490 1.00 0.00 H new ATOM 34 N THR A 3 -21.962 -10.711 -10.242 1.00 0.00 N ATOM 35 CA THR A 3 -21.086 -10.622 -11.406 1.00 0.00 C ATOM 36 C THR A 3 -19.623 -10.846 -10.989 1.00 0.00 C ATOM 37 O THR A 3 -19.260 -10.617 -9.836 1.00 0.00 O ATOM 38 CB THR A 3 -21.294 -9.250 -12.102 1.00 0.00 C ATOM 39 OG1 THR A 3 -21.629 -9.472 -13.464 1.00 0.00 O ATOM 40 CG2 THR A 3 -20.039 -8.358 -12.035 1.00 0.00 C ATOM 0 H THR A 3 -22.631 -11.480 -10.274 1.00 0.00 H new ATOM 0 HA THR A 3 -21.337 -11.404 -12.123 1.00 0.00 H new ATOM 0 HB THR A 3 -22.095 -8.731 -11.576 1.00 0.00 H new ATOM 0 HG1 THR A 3 -21.764 -8.611 -13.912 1.00 0.00 H new ATOM 0 HG21 THR A 3 -20.239 -7.411 -12.536 1.00 0.00 H new ATOM 0 HG22 THR A 3 -19.782 -8.170 -10.993 1.00 0.00 H new ATOM 0 HG23 THR A 3 -19.208 -8.862 -12.529 1.00 0.00 H new ATOM 48 N PRO A 4 -18.786 -11.280 -11.901 1.00 0.00 N ATOM 49 CA PRO A 4 -17.340 -11.526 -11.610 1.00 0.00 C ATOM 50 C PRO A 4 -16.602 -10.226 -11.286 1.00 0.00 C ATOM 51 O PRO A 4 -17.212 -9.160 -11.209 1.00 0.00 O ATOM 52 CB PRO A 4 -16.811 -12.167 -12.907 1.00 0.00 C ATOM 53 CG PRO A 4 -17.750 -11.705 -13.974 1.00 0.00 C ATOM 54 CD PRO A 4 -19.118 -11.586 -13.304 1.00 0.00 C ATOM 0 HA PRO A 4 -17.190 -12.160 -10.736 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -15.789 -11.851 -13.116 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -16.800 -13.255 -12.834 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -17.432 -10.747 -14.386 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -17.780 -12.414 -14.801 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -19.719 -10.797 -13.756 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -19.689 -12.511 -13.389 1.00 0.00 H new ATOM 62 N VAL A 5 -15.287 -10.322 -11.100 1.00 0.00 N ATOM 63 CA VAL A 5 -14.474 -9.146 -10.785 1.00 0.00 C ATOM 64 C VAL A 5 -13.094 -9.265 -11.425 1.00 0.00 C ATOM 65 O VAL A 5 -12.563 -10.365 -11.579 1.00 0.00 O ATOM 66 CB VAL A 5 -14.322 -9.003 -9.269 1.00 0.00 C ATOM 67 CG1 VAL A 5 -13.802 -7.602 -8.936 1.00 0.00 C ATOM 68 CG2 VAL A 5 -15.681 -9.214 -8.598 1.00 0.00 C ATOM 0 H VAL A 5 -14.763 -11.195 -11.161 1.00 0.00 H new ATOM 0 HA VAL A 5 -14.976 -8.264 -11.183 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.616 -9.749 -8.904 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.694 -7.501 -7.856 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.834 -7.450 -9.413 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -14.507 -6.856 -9.301 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -15.573 -9.112 -7.518 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -16.387 -8.469 -8.964 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -16.052 -10.212 -8.833 1.00 0.00 H new ATOM 78 N ASN A 6 -12.521 -8.126 -11.798 1.00 0.00 N ATOM 79 CA ASN A 6 -11.203 -8.111 -12.424 1.00 0.00 C ATOM 80 C ASN A 6 -10.105 -8.290 -11.380 1.00 0.00 C ATOM 81 O ASN A 6 -10.035 -7.544 -10.404 1.00 0.00 O ATOM 82 CB ASN A 6 -10.993 -6.787 -13.161 1.00 0.00 C ATOM 83 CG ASN A 6 -11.357 -5.619 -12.252 1.00 0.00 C ATOM 84 OD1 ASN A 6 -10.502 -5.100 -11.534 1.00 0.00 O ATOM 85 ND2 ASN A 6 -12.583 -5.172 -12.236 1.00 0.00 N ATOM 0 H ASN A 6 -12.945 -7.206 -11.679 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.151 -8.938 -13.132 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -9.954 -6.700 -13.480 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -11.606 -6.762 -14.062 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -12.834 -4.392 -11.628 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -13.291 -5.603 -12.831 1.00 0.00 H new ATOM 92 N MET A 7 -9.247 -9.283 -11.597 1.00 0.00 N ATOM 93 CA MET A 7 -8.155 -9.547 -10.669 1.00 0.00 C ATOM 94 C MET A 7 -8.709 -9.944 -9.302 1.00 0.00 C ATOM 95 O MET A 7 -9.862 -9.654 -8.983 1.00 0.00 O ATOM 96 CB MET A 7 -7.274 -8.293 -10.540 1.00 0.00 C ATOM 97 CG MET A 7 -5.875 -8.676 -10.048 1.00 0.00 C ATOM 98 SD MET A 7 -4.923 -9.377 -11.417 1.00 0.00 S ATOM 99 CE MET A 7 -3.556 -10.033 -10.428 1.00 0.00 C ATOM 0 H MET A 7 -9.287 -9.912 -12.399 1.00 0.00 H new ATOM 0 HA MET A 7 -7.552 -10.371 -11.051 1.00 0.00 H new ATOM 0 HB2 MET A 7 -7.203 -7.789 -11.504 1.00 0.00 H new ATOM 0 HB3 MET A 7 -7.731 -7.589 -9.845 1.00 0.00 H new ATOM 0 HG2 MET A 7 -5.366 -7.799 -9.649 1.00 0.00 H new ATOM 0 HG3 MET A 7 -5.949 -9.399 -9.235 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.834 -10.519 -11.083 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.069 -9.217 -9.894 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.941 -10.758 -9.711 1.00 0.00 H new ATOM 109 N SER A 8 -7.882 -10.607 -8.500 1.00 0.00 N ATOM 110 CA SER A 8 -8.299 -11.038 -7.168 1.00 0.00 C ATOM 111 C SER A 8 -8.008 -9.947 -6.146 1.00 0.00 C ATOM 112 O SER A 8 -7.574 -8.851 -6.502 1.00 0.00 O ATOM 113 CB SER A 8 -7.552 -12.315 -6.781 1.00 0.00 C ATOM 114 OG SER A 8 -7.796 -12.609 -5.412 1.00 0.00 O ATOM 0 H SER A 8 -6.924 -10.857 -8.746 1.00 0.00 H new ATOM 0 HA SER A 8 -9.371 -11.234 -7.182 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.880 -13.145 -7.407 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.483 -12.190 -6.952 1.00 0.00 H new ATOM 0 HG SER A 8 -7.319 -13.428 -5.163 1.00 0.00 H new ATOM 120 N ARG A 9 -8.228 -10.257 -4.873 1.00 0.00 N ATOM 121 CA ARG A 9 -7.968 -9.312 -3.810 1.00 0.00 C ATOM 122 C ARG A 9 -6.493 -9.392 -3.453 1.00 0.00 C ATOM 123 O ARG A 9 -5.888 -8.412 -3.023 1.00 0.00 O ATOM 124 CB ARG A 9 -8.842 -9.663 -2.600 1.00 0.00 C ATOM 125 CG ARG A 9 -8.340 -10.965 -1.964 1.00 0.00 C ATOM 126 CD ARG A 9 -9.410 -11.529 -1.031 1.00 0.00 C ATOM 127 NE ARG A 9 -8.908 -12.726 -0.361 1.00 0.00 N ATOM 128 CZ ARG A 9 -9.382 -13.111 0.819 1.00 0.00 C ATOM 129 NH1 ARG A 9 -10.314 -12.413 1.410 1.00 0.00 N ATOM 130 NH2 ARG A 9 -8.913 -14.188 1.388 1.00 0.00 N ATOM 0 H ARG A 9 -8.586 -11.159 -4.559 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.208 -8.296 -4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.812 -8.854 -1.870 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.881 -9.774 -2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.101 -11.692 -2.740 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.421 -10.779 -1.408 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.691 -10.779 -0.292 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.309 -11.770 -1.599 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.177 -13.279 -0.809 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.679 -11.571 0.966 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.677 -12.710 2.316 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.184 -14.732 0.927 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.275 -14.485 2.294 1.00 0.00 H new ATOM 144 N GLU A 10 -5.924 -10.578 -3.670 1.00 0.00 N ATOM 145 CA GLU A 10 -4.512 -10.817 -3.403 1.00 0.00 C ATOM 146 C GLU A 10 -3.673 -9.676 -3.957 1.00 0.00 C ATOM 147 O GLU A 10 -2.584 -9.392 -3.464 1.00 0.00 O ATOM 148 CB GLU A 10 -4.089 -12.132 -4.059 1.00 0.00 C ATOM 149 CG GLU A 10 -2.648 -12.463 -3.668 1.00 0.00 C ATOM 150 CD GLU A 10 -2.229 -13.781 -4.307 1.00 0.00 C ATOM 151 OE1 GLU A 10 -2.366 -13.903 -5.513 1.00 0.00 O ATOM 152 OE2 GLU A 10 -1.777 -14.651 -3.581 1.00 0.00 O ATOM 0 H GLU A 10 -6.425 -11.389 -4.032 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.357 -10.877 -2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.755 -12.936 -3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.173 -12.052 -5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.981 -11.664 -3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.562 -12.531 -2.583 1.00 0.00 H new ATOM 159 N THR A 11 -4.203 -9.011 -4.974 1.00 0.00 N ATOM 160 CA THR A 11 -3.515 -7.880 -5.576 1.00 0.00 C ATOM 161 C THR A 11 -3.717 -6.670 -4.680 1.00 0.00 C ATOM 162 O THR A 11 -2.794 -5.899 -4.414 1.00 0.00 O ATOM 163 CB THR A 11 -4.095 -7.616 -6.973 1.00 0.00 C ATOM 164 OG1 THR A 11 -4.416 -8.857 -7.582 1.00 0.00 O ATOM 165 CG2 THR A 11 -3.072 -6.879 -7.838 1.00 0.00 C ATOM 0 H THR A 11 -5.104 -9.235 -5.397 1.00 0.00 H new ATOM 0 HA THR A 11 -2.450 -8.087 -5.678 1.00 0.00 H new ATOM 0 HB THR A 11 -4.990 -7.001 -6.880 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.606 -9.402 -7.660 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.495 -6.697 -8.826 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.819 -5.927 -7.371 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.172 -7.486 -7.934 1.00 0.00 H new ATOM 173 N ALA A 12 -4.947 -6.542 -4.207 1.00 0.00 N ATOM 174 CA ALA A 12 -5.322 -5.459 -3.316 1.00 0.00 C ATOM 175 C ALA A 12 -4.377 -5.409 -2.116 1.00 0.00 C ATOM 176 O ALA A 12 -3.557 -4.498 -1.992 1.00 0.00 O ATOM 177 CB ALA A 12 -6.760 -5.685 -2.843 1.00 0.00 C ATOM 0 H ALA A 12 -5.709 -7.183 -4.429 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.253 -4.509 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.054 -4.877 -2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.428 -5.702 -3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.824 -6.636 -2.315 1.00 0.00 H new ATOM 183 N LEU A 13 -4.509 -6.393 -1.235 1.00 0.00 N ATOM 184 CA LEU A 13 -3.681 -6.474 -0.031 1.00 0.00 C ATOM 185 C LEU A 13 -2.213 -6.162 -0.347 1.00 0.00 C ATOM 186 O LEU A 13 -1.539 -5.474 0.417 1.00 0.00 O ATOM 187 CB LEU A 13 -3.794 -7.882 0.627 1.00 0.00 C ATOM 188 CG LEU A 13 -4.737 -8.779 -0.183 1.00 0.00 C ATOM 189 CD1 LEU A 13 -4.584 -10.227 0.281 1.00 0.00 C ATOM 190 CD2 LEU A 13 -6.195 -8.317 0.010 1.00 0.00 C ATOM 0 H LEU A 13 -5.184 -7.151 -1.330 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.050 -5.727 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.808 -8.342 0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.163 -7.784 1.648 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.482 -8.710 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.254 -10.866 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.554 -10.551 0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.834 -10.298 1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.860 -8.959 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.459 -8.378 1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.298 -7.287 -0.331 1.00 0.00 H new ATOM 202 N ARG A 14 -1.721 -6.694 -1.462 1.00 0.00 N ATOM 203 CA ARG A 14 -0.328 -6.485 -1.844 1.00 0.00 C ATOM 204 C ARG A 14 -0.047 -5.013 -2.119 1.00 0.00 C ATOM 205 O ARG A 14 1.002 -4.494 -1.739 1.00 0.00 O ATOM 206 CB ARG A 14 0.006 -7.327 -3.084 1.00 0.00 C ATOM 207 CG ARG A 14 0.227 -8.785 -2.666 1.00 0.00 C ATOM 208 CD ARG A 14 0.494 -9.644 -3.903 1.00 0.00 C ATOM 209 NE ARG A 14 0.919 -10.980 -3.498 1.00 0.00 N ATOM 210 CZ ARG A 14 2.106 -11.181 -2.932 1.00 0.00 C ATOM 211 NH1 ARG A 14 2.924 -10.179 -2.755 1.00 0.00 N ATOM 212 NH2 ARG A 14 2.455 -12.382 -2.557 1.00 0.00 N ATOM 0 H ARG A 14 -2.260 -7.267 -2.111 1.00 0.00 H new ATOM 0 HA ARG A 14 0.304 -6.799 -1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.806 -7.264 -3.809 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.900 -6.938 -3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.069 -8.852 -1.977 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.649 -9.158 -2.135 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.407 -9.709 -4.513 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.263 -9.180 -4.520 1.00 0.00 H new ATOM 0 HE ARG A 14 0.296 -11.773 -3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.653 -9.241 -3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.834 -10.334 -2.321 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.818 -13.166 -2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.365 -12.536 -2.123 1.00 0.00 H new ATOM 226 N ILE A 15 -0.979 -4.344 -2.780 1.00 0.00 N ATOM 227 CA ILE A 15 -0.800 -2.936 -3.091 1.00 0.00 C ATOM 228 C ILE A 15 -0.718 -2.113 -1.809 1.00 0.00 C ATOM 229 O ILE A 15 -0.368 -0.933 -1.839 1.00 0.00 O ATOM 230 CB ILE A 15 -1.964 -2.458 -3.964 1.00 0.00 C ATOM 231 CG1 ILE A 15 -1.868 -3.131 -5.352 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.907 -0.932 -4.120 1.00 0.00 C ATOM 233 CD1 ILE A 15 -3.258 -3.239 -5.983 1.00 0.00 C ATOM 0 H ILE A 15 -1.856 -4.748 -3.108 1.00 0.00 H new ATOM 0 HA ILE A 15 0.134 -2.804 -3.637 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.908 -2.729 -3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.210 -2.552 -6.000 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.427 -4.123 -5.254 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.738 -0.599 -4.742 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.978 -0.463 -3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.965 -0.649 -4.590 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.178 -3.715 -6.960 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.904 -3.837 -5.340 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.684 -2.242 -6.098 1.00 0.00 H new ATOM 245 N ALA A 16 -1.050 -2.743 -0.678 1.00 0.00 N ATOM 246 CA ALA A 16 -1.018 -2.068 0.618 1.00 0.00 C ATOM 247 C ALA A 16 0.201 -2.475 1.430 1.00 0.00 C ATOM 248 O ALA A 16 0.564 -1.800 2.390 1.00 0.00 O ATOM 249 CB ALA A 16 -2.294 -2.369 1.401 1.00 0.00 C ATOM 0 H ALA A 16 -1.344 -3.719 -0.636 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.954 -0.996 0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.258 -1.861 2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.158 -2.018 0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.378 -3.444 1.561 1.00 0.00 H new ATOM 255 N LEU A 17 0.846 -3.561 1.039 1.00 0.00 N ATOM 256 CA LEU A 17 2.041 -4.000 1.749 1.00 0.00 C ATOM 257 C LEU A 17 3.179 -3.049 1.407 1.00 0.00 C ATOM 258 O LEU A 17 4.092 -2.834 2.205 1.00 0.00 O ATOM 259 CB LEU A 17 2.400 -5.455 1.353 1.00 0.00 C ATOM 260 CG LEU A 17 1.963 -6.459 2.443 1.00 0.00 C ATOM 261 CD1 LEU A 17 2.966 -6.429 3.614 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.533 -6.135 2.943 1.00 0.00 C ATOM 0 H LEU A 17 0.572 -4.147 0.250 1.00 0.00 H new ATOM 0 HA LEU A 17 1.864 -3.986 2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.917 -5.707 0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.475 -5.535 1.192 1.00 0.00 H new ATOM 0 HG LEU A 17 1.951 -7.461 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.653 -7.139 4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.957 -6.701 3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.998 -5.426 4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.244 -6.854 3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.513 -5.129 3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.166 -6.194 2.109 1.00 0.00 H new ATOM 274 N ALA A 18 3.105 -2.478 0.213 1.00 0.00 N ATOM 275 CA ALA A 18 4.117 -1.540 -0.242 1.00 0.00 C ATOM 276 C ALA A 18 4.219 -0.364 0.722 1.00 0.00 C ATOM 277 O ALA A 18 5.310 0.107 1.017 1.00 0.00 O ATOM 278 CB ALA A 18 3.760 -1.045 -1.644 1.00 0.00 C ATOM 0 H ALA A 18 2.355 -2.649 -0.456 1.00 0.00 H new ATOM 0 HA ALA A 18 5.083 -2.044 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.519 -0.341 -1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.716 -1.892 -2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.790 -0.548 -1.618 1.00 0.00 H new ATOM 284 N ALA A 19 3.072 0.109 1.202 1.00 0.00 N ATOM 285 CA ALA A 19 3.055 1.240 2.136 1.00 0.00 C ATOM 286 C ALA A 19 4.222 1.136 3.127 1.00 0.00 C ATOM 287 O ALA A 19 4.806 2.148 3.518 1.00 0.00 O ATOM 288 CB ALA A 19 1.723 1.291 2.893 1.00 0.00 C ATOM 0 H ALA A 19 2.152 -0.264 0.966 1.00 0.00 H new ATOM 0 HA ALA A 19 3.166 2.160 1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.728 2.136 3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.905 1.407 2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.588 0.366 3.454 1.00 0.00 H new ATOM 294 N ARG A 20 4.563 -0.092 3.520 1.00 0.00 N ATOM 295 CA ARG A 20 5.667 -0.301 4.453 1.00 0.00 C ATOM 296 C ARG A 20 6.990 0.128 3.818 1.00 0.00 C ATOM 297 O ARG A 20 7.851 0.703 4.483 1.00 0.00 O ATOM 298 CB ARG A 20 5.744 -1.774 4.857 1.00 0.00 C ATOM 299 CG ARG A 20 4.569 -2.111 5.777 1.00 0.00 C ATOM 300 CD ARG A 20 4.696 -3.556 6.269 1.00 0.00 C ATOM 301 NE ARG A 20 5.696 -3.646 7.327 1.00 0.00 N ATOM 302 CZ ARG A 20 5.457 -3.158 8.540 1.00 0.00 C ATOM 303 NH1 ARG A 20 4.315 -2.581 8.799 1.00 0.00 N ATOM 304 NH2 ARG A 20 6.364 -3.256 9.474 1.00 0.00 N ATOM 0 H ARG A 20 4.097 -0.945 3.211 1.00 0.00 H new ATOM 0 HA ARG A 20 5.487 0.305 5.341 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.719 -2.407 3.970 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.687 -1.974 5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.552 -1.428 6.626 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.628 -1.980 5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.733 -3.907 6.639 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.975 -4.206 5.440 1.00 0.00 H new ATOM 0 HE ARG A 20 6.593 -4.091 7.133 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.605 -2.504 8.070 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.132 -2.207 9.730 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.256 -3.707 9.273 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.180 -2.881 10.405 1.00 0.00 H new ATOM 318 N ALA A 21 7.138 -0.153 2.526 1.00 0.00 N ATOM 319 CA ALA A 21 8.352 0.208 1.797 1.00 0.00 C ATOM 320 C ALA A 21 8.616 1.696 1.899 1.00 0.00 C ATOM 321 O ALA A 21 9.636 2.189 1.420 1.00 0.00 O ATOM 322 CB ALA A 21 8.193 -0.132 0.317 1.00 0.00 C ATOM 0 H ALA A 21 6.434 -0.629 1.962 1.00 0.00 H new ATOM 0 HA ALA A 21 9.179 -0.350 2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.102 0.140 -0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.013 -1.201 0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.350 0.422 -0.095 1.00 0.00 H new ATOM 328 N LEU A 22 7.678 2.412 2.503 1.00 0.00 N ATOM 329 CA LEU A 22 7.786 3.856 2.645 1.00 0.00 C ATOM 330 C LEU A 22 7.842 4.232 4.130 1.00 0.00 C ATOM 331 O LEU A 22 7.266 3.534 4.964 1.00 0.00 O ATOM 332 CB LEU A 22 6.554 4.502 2.001 1.00 0.00 C ATOM 333 CG LEU A 22 6.226 3.838 0.652 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.894 4.396 0.139 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.352 4.110 -0.374 1.00 0.00 C ATOM 0 H LEU A 22 6.829 2.013 2.904 1.00 0.00 H new ATOM 0 HA LEU A 22 8.695 4.208 2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.699 4.413 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.733 5.567 1.852 1.00 0.00 H new ATOM 0 HG LEU A 22 6.146 2.759 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.650 3.933 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.106 4.177 0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.977 5.475 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.103 3.633 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.455 5.185 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.292 3.704 0.001 1.00 0.00 H new ATOM 347 N PRO A 23 8.507 5.307 4.485 1.00 0.00 N ATOM 348 CA PRO A 23 8.607 5.742 5.912 1.00 0.00 C ATOM 349 C PRO A 23 7.232 5.985 6.549 1.00 0.00 C ATOM 350 O PRO A 23 6.659 5.083 7.161 1.00 0.00 O ATOM 351 CB PRO A 23 9.450 7.036 5.853 1.00 0.00 C ATOM 352 CG PRO A 23 9.377 7.490 4.427 1.00 0.00 C ATOM 353 CD PRO A 23 9.240 6.222 3.591 1.00 0.00 C ATOM 0 HA PRO A 23 9.061 4.976 6.540 1.00 0.00 H new ATOM 0 HB2 PRO A 23 9.054 7.795 6.528 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.481 6.848 6.154 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.527 8.154 4.272 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.272 8.047 4.148 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.693 6.406 2.667 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.213 5.818 3.310 1.00 0.00 H new ATOM 361 N GLY A 24 6.717 7.211 6.424 1.00 0.00 N ATOM 362 CA GLY A 24 5.420 7.563 7.015 1.00 0.00 C ATOM 363 C GLY A 24 4.312 7.654 5.966 1.00 0.00 C ATOM 364 O GLY A 24 3.175 7.997 6.291 1.00 0.00 O ATOM 0 H GLY A 24 7.173 7.973 5.923 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.149 6.818 7.763 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.506 8.518 7.533 1.00 0.00 H new ATOM 368 N THR A 25 4.636 7.348 4.715 1.00 0.00 N ATOM 369 CA THR A 25 3.635 7.409 3.651 1.00 0.00 C ATOM 370 C THR A 25 2.642 6.256 3.779 1.00 0.00 C ATOM 371 O THR A 25 3.034 5.095 3.899 1.00 0.00 O ATOM 372 CB THR A 25 4.315 7.342 2.280 1.00 0.00 C ATOM 373 OG1 THR A 25 5.473 8.164 2.285 1.00 0.00 O ATOM 374 CG2 THR A 25 3.349 7.822 1.196 1.00 0.00 C ATOM 0 H THR A 25 5.567 7.060 4.413 1.00 0.00 H new ATOM 0 HA THR A 25 3.098 8.353 3.745 1.00 0.00 H new ATOM 0 HB THR A 25 4.601 6.311 2.071 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.909 8.120 1.409 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.839 7.772 0.224 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.464 7.186 1.190 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.054 8.851 1.401 1.00 0.00 H new ATOM 382 N THR A 26 1.354 6.586 3.752 1.00 0.00 N ATOM 383 CA THR A 26 0.305 5.580 3.865 1.00 0.00 C ATOM 384 C THR A 26 -0.020 4.995 2.487 1.00 0.00 C ATOM 385 O THR A 26 0.452 5.488 1.463 1.00 0.00 O ATOM 386 CB THR A 26 -0.954 6.229 4.496 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.674 7.588 4.792 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.336 5.512 5.791 1.00 0.00 C ATOM 0 H THR A 26 1.013 7.542 3.653 1.00 0.00 H new ATOM 0 HA THR A 26 0.646 4.766 4.504 1.00 0.00 H new ATOM 0 HB THR A 26 -1.781 6.152 3.790 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.466 8.006 5.190 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.222 5.982 6.219 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.548 4.464 5.578 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.511 5.578 6.501 1.00 0.00 H new ATOM 396 N VAL A 27 -0.818 3.937 2.482 1.00 0.00 N ATOM 397 CA VAL A 27 -1.196 3.277 1.236 1.00 0.00 C ATOM 398 C VAL A 27 -1.932 4.240 0.314 1.00 0.00 C ATOM 399 O VAL A 27 -1.534 4.449 -0.833 1.00 0.00 O ATOM 400 CB VAL A 27 -2.116 2.082 1.515 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.291 1.270 0.230 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.527 1.178 2.610 1.00 0.00 C ATOM 0 H VAL A 27 -1.216 3.517 3.322 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.278 2.937 0.757 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.080 2.459 1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.944 0.419 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.734 1.900 -0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.319 0.911 -0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.199 0.338 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.555 0.803 2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.409 1.751 3.530 1.00 0.00 H new ATOM 412 N GLY A 28 -3.027 4.797 0.815 1.00 0.00 N ATOM 413 CA GLY A 28 -3.842 5.711 0.026 1.00 0.00 C ATOM 414 C GLY A 28 -3.159 7.057 -0.191 1.00 0.00 C ATOM 415 O GLY A 28 -3.764 7.970 -0.755 1.00 0.00 O ATOM 0 H GLY A 28 -3.370 4.632 1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.060 5.257 -0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.797 5.868 0.528 1.00 0.00 H new ATOM 419 N GLN A 29 -1.906 7.196 0.248 1.00 0.00 N ATOM 420 CA GLN A 29 -1.194 8.464 0.070 1.00 0.00 C ATOM 421 C GLN A 29 -0.362 8.428 -1.207 1.00 0.00 C ATOM 422 O GLN A 29 -0.112 9.465 -1.820 1.00 0.00 O ATOM 423 CB GLN A 29 -0.283 8.739 1.280 1.00 0.00 C ATOM 424 CG GLN A 29 -1.096 9.369 2.418 1.00 0.00 C ATOM 425 CD GLN A 29 -1.489 10.798 2.056 1.00 0.00 C ATOM 426 OE1 GLN A 29 -1.180 11.272 0.963 1.00 0.00 O ATOM 427 NE2 GLN A 29 -2.157 11.516 2.916 1.00 0.00 N ATOM 0 H GLN A 29 -1.373 6.465 0.719 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.929 9.265 -0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.174 7.810 1.620 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.529 9.406 0.990 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.990 8.775 2.608 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.511 9.367 3.337 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.412 11.121 3.821 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.424 12.472 2.683 1.00 0.00 H new ATOM 436 N LEU A 30 0.065 7.234 -1.606 1.00 0.00 N ATOM 437 CA LEU A 30 0.871 7.093 -2.814 1.00 0.00 C ATOM 438 C LEU A 30 -0.011 7.110 -4.059 1.00 0.00 C ATOM 439 O LEU A 30 0.475 7.332 -5.168 1.00 0.00 O ATOM 440 CB LEU A 30 1.678 5.786 -2.752 1.00 0.00 C ATOM 441 CG LEU A 30 2.579 5.640 -4.012 1.00 0.00 C ATOM 442 CD1 LEU A 30 3.948 5.067 -3.618 1.00 0.00 C ATOM 443 CD2 LEU A 30 1.924 4.694 -5.033 1.00 0.00 C ATOM 0 H LEU A 30 -0.130 6.360 -1.118 1.00 0.00 H new ATOM 0 HA LEU A 30 1.559 7.936 -2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.295 5.775 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.999 4.936 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 30 2.704 6.627 -4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.571 4.969 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.432 5.737 -2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.814 4.088 -3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.567 4.602 -5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.784 3.712 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.957 5.096 -5.333 1.00 0.00 H new ATOM 455 N LEU A 31 -1.308 6.875 -3.873 1.00 0.00 N ATOM 456 CA LEU A 31 -2.251 6.865 -4.993 1.00 0.00 C ATOM 457 C LEU A 31 -2.821 8.265 -5.226 1.00 0.00 C ATOM 458 O LEU A 31 -3.065 8.662 -6.364 1.00 0.00 O ATOM 459 CB LEU A 31 -3.392 5.886 -4.682 1.00 0.00 C ATOM 460 CG LEU A 31 -4.306 5.706 -5.912 1.00 0.00 C ATOM 461 CD1 LEU A 31 -3.691 4.702 -6.897 1.00 0.00 C ATOM 462 CD2 LEU A 31 -5.671 5.181 -5.458 1.00 0.00 C ATOM 0 H LEU A 31 -1.730 6.690 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.728 6.550 -5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.980 4.922 -4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.976 6.256 -3.840 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.417 6.671 -6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.349 4.588 -7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.719 5.067 -7.229 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.568 3.738 -6.404 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.318 5.053 -6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.543 4.222 -4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.124 5.894 -4.769 1.00 0.00 H new ATOM 474 N GLU A 32 -3.060 8.993 -4.140 1.00 0.00 N ATOM 475 CA GLU A 32 -3.625 10.338 -4.229 1.00 0.00 C ATOM 476 C GLU A 32 -3.050 11.116 -5.417 1.00 0.00 C ATOM 477 O GLU A 32 -3.657 12.079 -5.885 1.00 0.00 O ATOM 478 CB GLU A 32 -3.341 11.105 -2.929 1.00 0.00 C ATOM 479 CG GLU A 32 -4.311 12.286 -2.799 1.00 0.00 C ATOM 480 CD GLU A 32 -5.677 11.795 -2.327 1.00 0.00 C ATOM 481 OE1 GLU A 32 -5.712 10.858 -1.548 1.00 0.00 O ATOM 482 OE2 GLU A 32 -6.669 12.365 -2.752 1.00 0.00 O ATOM 0 H GLU A 32 -2.872 8.676 -3.189 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.700 10.239 -4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.448 10.439 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.312 11.466 -2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.915 13.016 -2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.410 12.792 -3.759 1.00 0.00 H new ATOM 489 N ILE A 33 -1.881 10.699 -5.896 1.00 0.00 N ATOM 490 CA ILE A 33 -1.250 11.380 -7.024 1.00 0.00 C ATOM 491 C ILE A 33 -2.234 11.529 -8.184 1.00 0.00 C ATOM 492 O ILE A 33 -2.100 12.432 -9.010 1.00 0.00 O ATOM 493 CB ILE A 33 -0.002 10.609 -7.482 1.00 0.00 C ATOM 494 CG1 ILE A 33 0.844 11.504 -8.393 1.00 0.00 C ATOM 495 CG2 ILE A 33 -0.408 9.349 -8.252 1.00 0.00 C ATOM 496 CD1 ILE A 33 2.115 10.760 -8.801 1.00 0.00 C ATOM 0 H ILE A 33 -1.357 9.905 -5.528 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.948 12.375 -6.698 1.00 0.00 H new ATOM 0 HB ILE A 33 0.575 10.320 -6.604 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.273 11.783 -9.279 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.101 12.428 -7.876 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.486 8.813 -8.570 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.007 8.706 -7.607 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.993 9.630 -9.128 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.717 11.397 -9.449 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.688 10.504 -7.910 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.847 9.848 -9.335 1.00 0.00 H new ATOM 508 N LEU A 34 -3.223 10.641 -8.239 1.00 0.00 N ATOM 509 CA LEU A 34 -4.223 10.690 -9.304 1.00 0.00 C ATOM 510 C LEU A 34 -5.309 11.712 -8.977 1.00 0.00 C ATOM 511 O LEU A 34 -5.284 12.839 -9.472 1.00 0.00 O ATOM 512 CB LEU A 34 -4.866 9.313 -9.492 1.00 0.00 C ATOM 513 CG LEU A 34 -3.792 8.267 -9.820 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.446 6.883 -9.883 1.00 0.00 C ATOM 515 CD2 LEU A 34 -3.132 8.589 -11.174 1.00 0.00 C ATOM 0 H LEU A 34 -3.354 9.886 -7.566 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.721 10.986 -10.225 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.399 9.026 -8.586 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.602 9.354 -10.295 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.026 8.281 -9.045 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.690 6.133 -10.116 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.902 6.652 -8.920 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.212 6.878 -10.658 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.372 7.840 -11.396 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.889 8.581 -11.959 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.668 9.574 -11.127 1.00 0.00 H new ATOM 527 N HIS A 35 -6.263 11.307 -8.144 1.00 0.00 N ATOM 528 CA HIS A 35 -7.357 12.192 -7.762 1.00 0.00 C ATOM 529 C HIS A 35 -8.095 12.690 -9.000 1.00 0.00 C ATOM 530 O HIS A 35 -7.887 13.818 -9.446 1.00 0.00 O ATOM 531 CB HIS A 35 -6.813 13.383 -6.972 1.00 0.00 C ATOM 532 CG HIS A 35 -7.959 14.225 -6.478 1.00 0.00 C ATOM 533 ND1 HIS A 35 -8.270 15.452 -7.041 1.00 0.00 N ATOM 534 CD2 HIS A 35 -8.876 14.027 -5.478 1.00 0.00 C ATOM 535 CE1 HIS A 35 -9.334 15.943 -6.381 1.00 0.00 C ATOM 536 NE2 HIS A 35 -9.744 15.114 -5.417 1.00 0.00 N ATOM 0 H HIS A 35 -6.301 10.378 -7.724 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.054 11.633 -7.137 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.216 13.032 -6.130 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.154 13.980 -7.602 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.919 13.160 -4.836 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -9.800 16.892 -6.603 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.525 15.248 -4.775 1.00 0.00 H new ATOM 545 N GLN A 36 -8.958 11.841 -9.552 1.00 0.00 N ATOM 546 CA GLN A 36 -9.719 12.207 -10.741 1.00 0.00 C ATOM 547 C GLN A 36 -10.954 11.325 -10.890 1.00 0.00 C ATOM 548 O GLN A 36 -11.363 10.642 -9.951 1.00 0.00 O ATOM 549 CB GLN A 36 -8.839 12.077 -11.985 1.00 0.00 C ATOM 550 CG GLN A 36 -8.357 10.632 -12.124 1.00 0.00 C ATOM 551 CD GLN A 36 -7.303 10.537 -13.222 1.00 0.00 C ATOM 552 OE1 GLN A 36 -7.636 10.575 -14.407 1.00 0.00 O ATOM 553 NE2 GLN A 36 -6.044 10.417 -12.898 1.00 0.00 N ATOM 0 H GLN A 36 -9.146 10.903 -9.198 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.044 13.242 -10.633 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -9.400 12.371 -12.872 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.985 12.750 -11.911 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.941 10.286 -11.178 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.199 9.980 -12.359 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.771 10.386 -11.916 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.333 10.354 -13.627 1.00 0.00 H new ATOM 562 N ARG A 37 -11.548 11.353 -12.080 1.00 0.00 N ATOM 563 CA ARG A 37 -12.744 10.562 -12.353 1.00 0.00 C ATOM 564 C ARG A 37 -12.419 9.074 -12.410 1.00 0.00 C ATOM 565 O ARG A 37 -12.305 8.496 -13.490 1.00 0.00 O ATOM 566 CB ARG A 37 -13.359 10.992 -13.686 1.00 0.00 C ATOM 567 CG ARG A 37 -13.606 12.502 -13.679 1.00 0.00 C ATOM 568 CD ARG A 37 -13.965 12.962 -15.091 1.00 0.00 C ATOM 569 NE ARG A 37 -14.403 14.354 -15.076 1.00 0.00 N ATOM 570 CZ ARG A 37 -15.662 14.681 -14.802 1.00 0.00 C ATOM 571 NH1 ARG A 37 -16.535 13.748 -14.531 1.00 0.00 N ATOM 572 NH2 ARG A 37 -16.026 15.935 -14.803 1.00 0.00 N ATOM 0 H ARG A 37 -11.222 11.913 -12.868 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.452 10.734 -11.542 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.693 10.727 -14.507 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -14.297 10.462 -13.853 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.413 12.747 -12.988 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.717 13.026 -13.329 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.101 12.853 -15.747 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.755 12.330 -15.497 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.729 15.092 -15.280 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -16.251 12.768 -14.530 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -17.501 13.999 -14.321 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.344 16.664 -15.014 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.992 16.186 -14.593 1.00 0.00 H new ATOM 586 N ILE A 38 -12.278 8.454 -11.243 1.00 0.00 N ATOM 587 CA ILE A 38 -11.975 7.028 -11.184 1.00 0.00 C ATOM 588 C ILE A 38 -13.040 6.226 -11.931 1.00 0.00 C ATOM 589 O ILE A 38 -13.965 6.797 -12.510 1.00 0.00 O ATOM 590 CB ILE A 38 -11.881 6.562 -9.722 1.00 0.00 C ATOM 591 CG1 ILE A 38 -13.280 6.435 -9.092 1.00 0.00 C ATOM 592 CG2 ILE A 38 -11.061 7.574 -8.920 1.00 0.00 C ATOM 593 CD1 ILE A 38 -14.081 7.721 -9.312 1.00 0.00 C ATOM 0 H ILE A 38 -12.367 8.910 -10.335 1.00 0.00 H new ATOM 0 HA ILE A 38 -11.012 6.857 -11.665 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.400 5.584 -9.703 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -13.809 5.589 -9.532 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -13.189 6.234 -8.025 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.993 7.246 -7.883 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -10.060 7.648 -9.344 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -11.546 8.549 -8.961 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -15.068 7.617 -8.861 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -13.558 8.559 -8.851 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -14.188 7.905 -10.381 1.00 0.00 H new ATOM 605 N GLU A 39 -12.905 4.905 -11.915 1.00 0.00 N ATOM 606 CA GLU A 39 -13.867 4.046 -12.596 1.00 0.00 C ATOM 607 C GLU A 39 -13.698 2.595 -12.160 1.00 0.00 C ATOM 608 O GLU A 39 -14.595 1.773 -12.346 1.00 0.00 O ATOM 609 CB GLU A 39 -13.685 4.155 -14.113 1.00 0.00 C ATOM 610 CG GLU A 39 -14.811 3.402 -14.826 1.00 0.00 C ATOM 611 CD GLU A 39 -14.828 3.775 -16.305 1.00 0.00 C ATOM 612 OE1 GLU A 39 -13.952 3.320 -17.021 1.00 0.00 O ATOM 613 OE2 GLU A 39 -15.718 4.511 -16.700 1.00 0.00 O ATOM 0 H GLU A 39 -12.148 4.410 -11.444 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.871 4.375 -12.328 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.688 5.202 -14.414 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.719 3.742 -14.403 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.669 2.327 -14.714 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.770 3.646 -14.369 1.00 0.00 H new ATOM 620 N GLY A 40 -12.542 2.283 -11.579 1.00 0.00 N ATOM 621 CA GLY A 40 -12.273 0.923 -11.123 1.00 0.00 C ATOM 622 C GLY A 40 -11.191 0.909 -10.046 1.00 0.00 C ATOM 623 O GLY A 40 -10.596 1.940 -9.734 1.00 0.00 O ATOM 0 H GLY A 40 -11.784 2.946 -11.414 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.188 0.480 -10.730 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.959 0.309 -11.967 1.00 0.00 H new ATOM 627 N PRO A 41 -10.933 -0.238 -9.477 1.00 0.00 N ATOM 628 CA PRO A 41 -9.903 -0.398 -8.408 1.00 0.00 C ATOM 629 C PRO A 41 -8.483 -0.319 -8.968 1.00 0.00 C ATOM 630 O PRO A 41 -7.511 -0.316 -8.214 1.00 0.00 O ATOM 631 CB PRO A 41 -10.205 -1.789 -7.834 1.00 0.00 C ATOM 632 CG PRO A 41 -10.817 -2.545 -8.968 1.00 0.00 C ATOM 633 CD PRO A 41 -11.596 -1.516 -9.793 1.00 0.00 C ATOM 0 HA PRO A 41 -9.948 0.392 -7.659 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.297 -2.276 -7.478 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.887 -1.727 -6.986 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.050 -3.029 -9.573 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.477 -3.331 -8.601 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.548 -1.739 -10.859 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.651 -1.498 -9.518 1.00 0.00 H new ATOM 641 N LEU A 42 -8.374 -0.257 -10.293 1.00 0.00 N ATOM 642 CA LEU A 42 -7.071 -0.178 -10.942 1.00 0.00 C ATOM 643 C LEU A 42 -6.232 -1.412 -10.616 1.00 0.00 C ATOM 644 O LEU A 42 -5.875 -1.644 -9.461 1.00 0.00 O ATOM 645 CB LEU A 42 -6.336 1.086 -10.486 1.00 0.00 C ATOM 646 CG LEU A 42 -7.284 2.287 -10.564 1.00 0.00 C ATOM 647 CD1 LEU A 42 -6.519 3.560 -10.198 1.00 0.00 C ATOM 648 CD2 LEU A 42 -7.841 2.413 -11.989 1.00 0.00 C ATOM 0 H LEU A 42 -9.168 -0.260 -10.934 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.224 -0.136 -12.020 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.975 0.961 -9.465 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.462 1.258 -11.115 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.110 2.145 -9.867 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.191 4.417 -10.253 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.127 3.470 -9.185 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.693 3.702 -10.895 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.515 3.268 -12.042 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.018 2.555 -12.690 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.386 1.505 -12.248 1.00 0.00 H new ATOM 660 N THR A 43 -5.927 -2.203 -11.643 1.00 0.00 N ATOM 661 CA THR A 43 -5.135 -3.418 -11.460 1.00 0.00 C ATOM 662 C THR A 43 -3.644 -3.102 -11.454 1.00 0.00 C ATOM 663 O THR A 43 -3.216 -2.057 -11.942 1.00 0.00 O ATOM 664 CB THR A 43 -5.429 -4.411 -12.586 1.00 0.00 C ATOM 665 OG1 THR A 43 -4.663 -4.064 -13.732 1.00 0.00 O ATOM 666 CG2 THR A 43 -6.915 -4.370 -12.934 1.00 0.00 C ATOM 0 H THR A 43 -6.214 -2.026 -12.606 1.00 0.00 H new ATOM 0 HA THR A 43 -5.409 -3.854 -10.499 1.00 0.00 H new ATOM 0 HB THR A 43 -5.164 -5.417 -12.260 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.849 -4.700 -14.454 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.120 -5.079 -13.736 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.502 -4.637 -12.055 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.185 -3.365 -13.259 1.00 0.00 H new ATOM 674 N GLU A 44 -2.861 -4.022 -10.904 1.00 0.00 N ATOM 675 CA GLU A 44 -1.415 -3.847 -10.842 1.00 0.00 C ATOM 676 C GLU A 44 -0.859 -3.476 -12.211 1.00 0.00 C ATOM 677 O GLU A 44 0.203 -2.863 -12.316 1.00 0.00 O ATOM 678 CB GLU A 44 -0.756 -5.139 -10.357 1.00 0.00 C ATOM 679 CG GLU A 44 -1.269 -6.317 -11.192 1.00 0.00 C ATOM 680 CD GLU A 44 -0.387 -7.539 -10.961 1.00 0.00 C ATOM 681 OE1 GLU A 44 -0.132 -7.853 -9.809 1.00 0.00 O ATOM 682 OE2 GLU A 44 0.021 -8.144 -11.939 1.00 0.00 O ATOM 0 H GLU A 44 -3.201 -4.893 -10.496 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.196 -3.040 -10.143 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.328 -5.062 -10.444 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.981 -5.301 -9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.300 -6.545 -10.921 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.269 -6.052 -12.249 1.00 0.00 H new ATOM 689 N GLU A 45 -1.583 -3.855 -13.262 1.00 0.00 N ATOM 690 CA GLU A 45 -1.148 -3.559 -14.624 1.00 0.00 C ATOM 691 C GLU A 45 -1.533 -2.135 -15.010 1.00 0.00 C ATOM 692 O GLU A 45 -0.769 -1.432 -15.666 1.00 0.00 O ATOM 693 CB GLU A 45 -1.787 -4.547 -15.602 1.00 0.00 C ATOM 694 CG GLU A 45 -1.098 -4.436 -16.964 1.00 0.00 C ATOM 695 CD GLU A 45 -1.865 -5.252 -17.999 1.00 0.00 C ATOM 696 OE1 GLU A 45 -2.839 -5.882 -17.624 1.00 0.00 O ATOM 697 OE2 GLU A 45 -1.467 -5.235 -19.152 1.00 0.00 O ATOM 0 H GLU A 45 -2.465 -4.363 -13.198 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.063 -3.655 -14.669 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.697 -5.564 -15.219 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.852 -4.337 -15.703 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.050 -3.392 -17.273 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.071 -4.795 -16.893 1.00 0.00 H new ATOM 704 N SER A 46 -2.724 -1.717 -14.600 1.00 0.00 N ATOM 705 CA SER A 46 -3.196 -0.372 -14.913 1.00 0.00 C ATOM 706 C SER A 46 -2.227 0.681 -14.377 1.00 0.00 C ATOM 707 O SER A 46 -2.040 1.731 -14.989 1.00 0.00 O ATOM 708 CB SER A 46 -4.580 -0.155 -14.303 1.00 0.00 C ATOM 709 OG SER A 46 -4.436 0.222 -12.942 1.00 0.00 O ATOM 0 H SER A 46 -3.376 -2.282 -14.056 1.00 0.00 H new ATOM 0 HA SER A 46 -3.254 -0.270 -15.997 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.116 0.619 -14.853 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.171 -1.067 -14.380 1.00 0.00 H new ATOM 0 HG SER A 46 -4.008 -0.506 -12.445 1.00 0.00 H new ATOM 715 N LEU A 47 -1.617 0.396 -13.229 1.00 0.00 N ATOM 716 CA LEU A 47 -0.673 1.332 -12.624 1.00 0.00 C ATOM 717 C LEU A 47 0.578 1.472 -13.497 1.00 0.00 C ATOM 718 O LEU A 47 1.225 2.518 -13.499 1.00 0.00 O ATOM 719 CB LEU A 47 -0.279 0.845 -11.214 1.00 0.00 C ATOM 720 CG LEU A 47 -1.272 1.369 -10.168 1.00 0.00 C ATOM 721 CD1 LEU A 47 -2.690 0.928 -10.530 1.00 0.00 C ATOM 722 CD2 LEU A 47 -0.901 0.805 -8.794 1.00 0.00 C ATOM 0 H LEU A 47 -1.757 -0.467 -12.703 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.153 2.307 -12.545 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.259 -0.245 -11.191 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.727 1.187 -10.972 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.230 2.458 -10.145 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.390 1.303 -9.783 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.956 1.326 -11.509 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.737 -0.161 -10.556 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.604 1.174 -8.047 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.943 -0.284 -8.824 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.108 1.122 -8.531 1.00 0.00 H new ATOM 734 N GLN A 48 0.916 0.414 -14.228 1.00 0.00 N ATOM 735 CA GLN A 48 2.095 0.446 -15.088 1.00 0.00 C ATOM 736 C GLN A 48 1.921 1.482 -16.191 1.00 0.00 C ATOM 737 O GLN A 48 1.752 1.140 -17.362 1.00 0.00 O ATOM 738 CB GLN A 48 2.336 -0.931 -15.709 1.00 0.00 C ATOM 739 CG GLN A 48 2.587 -1.954 -14.600 1.00 0.00 C ATOM 740 CD GLN A 48 2.774 -3.343 -15.203 1.00 0.00 C ATOM 741 OE1 GLN A 48 2.238 -3.616 -16.361 1.00 0.00 O flip ATOM 742 NE2 GLN A 48 3.423 -4.199 -14.604 1.00 0.00 N flip ATOM 0 H GLN A 48 0.399 -0.465 -14.243 1.00 0.00 H new ATOM 0 HA GLN A 48 2.956 0.719 -14.478 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.473 -1.229 -16.305 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.191 -0.893 -16.384 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.473 -1.674 -14.030 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.748 -1.961 -13.904 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.841 -3.982 -13.699 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.544 -5.126 -15.012 1.00 0.00 H new ATOM 751 N GLY A 49 1.968 2.752 -15.806 1.00 0.00 N ATOM 752 CA GLY A 49 1.819 3.847 -16.760 1.00 0.00 C ATOM 753 C GLY A 49 2.538 5.095 -16.263 1.00 0.00 C ATOM 754 O GLY A 49 2.412 6.172 -16.847 1.00 0.00 O ATOM 0 H GLY A 49 2.108 3.050 -14.841 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.222 3.550 -17.728 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.761 4.065 -16.909 1.00 0.00 H new ATOM 758 N VAL A 50 3.292 4.941 -15.174 1.00 0.00 N ATOM 759 CA VAL A 50 4.038 6.057 -14.582 1.00 0.00 C ATOM 760 C VAL A 50 5.491 5.634 -14.334 1.00 0.00 C ATOM 761 O VAL A 50 5.856 4.484 -14.573 1.00 0.00 O ATOM 762 CB VAL A 50 3.334 6.494 -13.263 1.00 0.00 C ATOM 763 CG1 VAL A 50 3.939 5.785 -12.036 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.451 8.012 -13.073 1.00 0.00 C ATOM 0 H VAL A 50 3.404 4.054 -14.682 1.00 0.00 H new ATOM 0 HA VAL A 50 4.053 6.908 -15.263 1.00 0.00 H new ATOM 0 HB VAL A 50 2.285 6.211 -13.347 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.423 6.115 -11.134 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.825 4.707 -12.146 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.998 6.032 -11.959 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.954 8.302 -12.147 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.503 8.292 -13.024 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.979 8.521 -13.913 1.00 0.00 H new ATOM 774 N SER A 51 6.311 6.564 -13.845 1.00 0.00 N ATOM 775 CA SER A 51 7.718 6.276 -13.551 1.00 0.00 C ATOM 776 C SER A 51 7.960 6.499 -12.068 1.00 0.00 C ATOM 777 O SER A 51 7.134 7.113 -11.406 1.00 0.00 O ATOM 778 CB SER A 51 8.630 7.190 -14.372 1.00 0.00 C ATOM 779 OG SER A 51 8.498 6.866 -15.749 1.00 0.00 O ATOM 0 H SER A 51 6.027 7.523 -13.644 1.00 0.00 H new ATOM 0 HA SER A 51 7.943 5.242 -13.814 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.365 8.234 -14.205 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.666 7.070 -14.055 1.00 0.00 H new ATOM 0 HG SER A 51 9.079 7.450 -16.280 1.00 0.00 H new ATOM 785 N VAL A 52 9.088 6.013 -11.554 1.00 0.00 N ATOM 786 CA VAL A 52 9.407 6.176 -10.135 1.00 0.00 C ATOM 787 C VAL A 52 9.391 7.659 -9.727 1.00 0.00 C ATOM 788 O VAL A 52 8.846 8.019 -8.683 1.00 0.00 O ATOM 789 CB VAL A 52 10.785 5.541 -9.837 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.435 6.197 -8.608 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.610 4.038 -9.566 1.00 0.00 C ATOM 0 H VAL A 52 9.792 5.507 -12.092 1.00 0.00 H new ATOM 0 HA VAL A 52 8.644 5.667 -9.546 1.00 0.00 H new ATOM 0 HB VAL A 52 11.429 5.696 -10.703 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.403 5.734 -8.418 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.572 7.262 -8.794 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.791 6.061 -7.739 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.582 3.591 -9.356 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.953 3.897 -8.708 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.172 3.559 -10.442 1.00 0.00 H new ATOM 801 N THR A 53 10.015 8.505 -10.537 1.00 0.00 N ATOM 802 CA THR A 53 10.092 9.936 -10.235 1.00 0.00 C ATOM 803 C THR A 53 8.710 10.543 -9.972 1.00 0.00 C ATOM 804 O THR A 53 8.601 11.552 -9.293 1.00 0.00 O ATOM 805 CB THR A 53 10.773 10.672 -11.405 1.00 0.00 C ATOM 806 OG1 THR A 53 12.182 10.526 -11.292 1.00 0.00 O ATOM 807 CG2 THR A 53 10.418 12.166 -11.383 1.00 0.00 C ATOM 0 H THR A 53 10.474 8.231 -11.405 1.00 0.00 H new ATOM 0 HA THR A 53 10.680 10.054 -9.325 1.00 0.00 H new ATOM 0 HB THR A 53 10.423 10.241 -12.343 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.620 10.991 -12.035 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.908 12.669 -12.217 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.338 12.285 -11.472 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.755 12.606 -10.445 1.00 0.00 H new ATOM 815 N ASP A 54 7.669 9.955 -10.524 1.00 0.00 N ATOM 816 CA ASP A 54 6.326 10.496 -10.341 1.00 0.00 C ATOM 817 C ASP A 54 5.784 10.183 -8.947 1.00 0.00 C ATOM 818 O ASP A 54 4.974 10.932 -8.400 1.00 0.00 O ATOM 819 CB ASP A 54 5.393 9.908 -11.388 1.00 0.00 C ATOM 820 CG ASP A 54 4.072 10.672 -11.410 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.709 11.222 -10.382 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.441 10.694 -12.454 1.00 0.00 O ATOM 0 H ASP A 54 7.718 9.113 -11.097 1.00 0.00 H new ATOM 0 HA ASP A 54 6.380 11.579 -10.452 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.863 9.953 -12.370 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.209 8.856 -11.171 1.00 0.00 H new ATOM 827 N LEU A 55 6.198 9.051 -8.400 1.00 0.00 N ATOM 828 CA LEU A 55 5.718 8.615 -7.087 1.00 0.00 C ATOM 829 C LEU A 55 6.173 9.549 -5.960 1.00 0.00 C ATOM 830 O LEU A 55 5.344 10.152 -5.283 1.00 0.00 O ATOM 831 CB LEU A 55 6.212 7.191 -6.784 1.00 0.00 C ATOM 832 CG LEU A 55 5.537 6.170 -7.720 1.00 0.00 C ATOM 833 CD1 LEU A 55 5.889 6.481 -9.176 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.034 4.761 -7.366 1.00 0.00 C ATOM 0 H LEU A 55 6.864 8.415 -8.839 1.00 0.00 H new ATOM 0 HA LEU A 55 4.629 8.637 -7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.294 7.143 -6.905 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.996 6.939 -5.746 1.00 0.00 H new ATOM 0 HG LEU A 55 4.456 6.226 -7.596 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.407 5.754 -9.830 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.541 7.483 -9.428 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.970 6.428 -9.308 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.561 4.032 -8.024 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.116 4.715 -7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.779 4.535 -6.331 1.00 0.00 H new ATOM 846 N LYS A 56 7.486 9.639 -5.745 1.00 0.00 N ATOM 847 CA LYS A 56 8.032 10.475 -4.666 1.00 0.00 C ATOM 848 C LYS A 56 7.552 11.923 -4.731 1.00 0.00 C ATOM 849 O LYS A 56 7.327 12.554 -3.697 1.00 0.00 O ATOM 850 CB LYS A 56 9.559 10.462 -4.721 1.00 0.00 C ATOM 851 CG LYS A 56 10.123 11.333 -3.595 1.00 0.00 C ATOM 852 CD LYS A 56 11.600 10.992 -3.356 1.00 0.00 C ATOM 853 CE LYS A 56 12.351 10.954 -4.691 1.00 0.00 C ATOM 854 NZ LYS A 56 13.816 11.064 -4.442 1.00 0.00 N ATOM 0 H LYS A 56 8.190 9.149 -6.297 1.00 0.00 H new ATOM 0 HA LYS A 56 7.671 10.048 -3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.927 9.441 -4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.901 10.833 -5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.022 12.387 -3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.552 11.174 -2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.051 11.733 -2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.683 10.027 -2.855 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.130 10.026 -5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.018 11.771 -5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.331 10.920 -5.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.034 12.008 -4.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.106 10.341 -3.753 1.00 0.00 H new ATOM 868 N ILE A 57 7.403 12.450 -5.934 1.00 0.00 N ATOM 869 CA ILE A 57 6.955 13.829 -6.097 1.00 0.00 C ATOM 870 C ILE A 57 5.449 13.909 -5.874 1.00 0.00 C ATOM 871 O ILE A 57 4.902 14.981 -5.627 1.00 0.00 O ATOM 872 CB ILE A 57 7.337 14.346 -7.492 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.478 13.654 -8.557 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.815 14.027 -7.734 1.00 0.00 C ATOM 875 CD1 ILE A 57 6.914 14.081 -9.966 1.00 0.00 C ATOM 0 H ILE A 57 7.583 11.953 -6.806 1.00 0.00 H new ATOM 0 HA ILE A 57 7.446 14.461 -5.358 1.00 0.00 H new ATOM 0 HB ILE A 57 7.168 15.421 -7.552 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.566 12.572 -8.456 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.428 13.904 -8.404 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.108 14.386 -8.721 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.422 14.518 -6.974 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.968 12.949 -7.680 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.292 13.579 -10.707 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.802 15.160 -10.070 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.957 13.807 -10.123 1.00 0.00 H new ATOM 887 N GLY A 58 4.788 12.758 -5.963 1.00 0.00 N ATOM 888 CA GLY A 58 3.345 12.696 -5.767 1.00 0.00 C ATOM 889 C GLY A 58 2.973 12.980 -4.312 1.00 0.00 C ATOM 890 O GLY A 58 1.953 13.613 -4.040 1.00 0.00 O ATOM 0 H GLY A 58 5.227 11.861 -6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.855 13.420 -6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.978 11.710 -6.053 1.00 0.00 H new ATOM 894 N LEU A 59 3.799 12.510 -3.379 1.00 0.00 N ATOM 895 CA LEU A 59 3.527 12.732 -1.961 1.00 0.00 C ATOM 896 C LEU A 59 3.819 14.178 -1.594 1.00 0.00 C ATOM 897 O LEU A 59 2.938 14.889 -1.109 1.00 0.00 O ATOM 898 CB LEU A 59 4.374 11.799 -1.080 1.00 0.00 C ATOM 899 CG LEU A 59 4.039 10.313 -1.336 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.528 10.067 -1.205 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.517 9.890 -2.735 1.00 0.00 C ATOM 0 H LEU A 59 4.649 11.981 -3.575 1.00 0.00 H new ATOM 0 HA LEU A 59 2.474 12.514 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.432 11.973 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.203 12.035 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 59 4.557 9.714 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.313 9.014 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.202 10.333 -0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.995 10.679 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.274 8.840 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.021 10.501 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.596 10.028 -2.808 1.00 0.00 H new ATOM 913 N ALA A 60 5.046 14.623 -1.838 1.00 0.00 N ATOM 914 CA ALA A 60 5.406 15.998 -1.535 1.00 0.00 C ATOM 915 C ALA A 60 4.706 16.925 -2.516 1.00 0.00 C ATOM 916 O ALA A 60 4.303 18.034 -2.163 1.00 0.00 O ATOM 917 CB ALA A 60 6.919 16.188 -1.639 1.00 0.00 C ATOM 0 H ALA A 60 5.796 14.060 -2.239 1.00 0.00 H new ATOM 0 HA ALA A 60 5.095 16.232 -0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.172 17.223 -1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.418 15.526 -0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.247 15.950 -2.651 1.00 0.00 H new ATOM 923 N GLY A 61 4.550 16.452 -3.755 1.00 0.00 N ATOM 924 CA GLY A 61 3.877 17.236 -4.794 1.00 0.00 C ATOM 925 C GLY A 61 4.837 17.621 -5.915 1.00 0.00 C ATOM 926 O GLY A 61 4.519 17.457 -7.093 1.00 0.00 O ATOM 0 H GLY A 61 4.878 15.536 -4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.048 16.660 -5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.451 18.137 -4.353 1.00 0.00 H new ATOM 930 N SER A 62 6.008 18.145 -5.549 1.00 0.00 N ATOM 931 CA SER A 62 6.996 18.561 -6.548 1.00 0.00 C ATOM 932 C SER A 62 8.399 18.108 -6.163 1.00 0.00 C ATOM 933 O SER A 62 8.761 18.087 -4.986 1.00 0.00 O ATOM 934 CB SER A 62 6.974 20.082 -6.690 1.00 0.00 C ATOM 935 OG SER A 62 7.679 20.665 -5.603 1.00 0.00 O ATOM 0 H SER A 62 6.294 18.291 -4.581 1.00 0.00 H new ATOM 0 HA SER A 62 6.734 18.094 -7.497 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.430 20.377 -7.635 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.945 20.442 -6.707 1.00 0.00 H new ATOM 0 HG SER A 62 7.668 21.641 -5.692 1.00 0.00 H new ATOM 941 N GLU A 63 9.178 17.743 -7.175 1.00 0.00 N ATOM 942 CA GLU A 63 10.543 17.281 -6.969 1.00 0.00 C ATOM 943 C GLU A 63 11.405 18.342 -6.294 1.00 0.00 C ATOM 944 O GLU A 63 12.622 18.185 -6.194 1.00 0.00 O ATOM 945 CB GLU A 63 11.171 16.893 -8.309 1.00 0.00 C ATOM 946 CG GLU A 63 11.188 18.106 -9.242 1.00 0.00 C ATOM 947 CD GLU A 63 11.775 17.714 -10.593 1.00 0.00 C ATOM 948 OE1 GLU A 63 12.990 17.708 -10.708 1.00 0.00 O ATOM 949 OE2 GLU A 63 11.003 17.423 -11.491 1.00 0.00 O ATOM 0 H GLU A 63 8.884 17.759 -8.152 1.00 0.00 H new ATOM 0 HA GLU A 63 10.499 16.412 -6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.186 16.528 -8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.606 16.080 -8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.176 18.489 -9.373 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.778 18.908 -8.799 1.00 0.00 H new ATOM 956 N GLU A 64 10.781 19.417 -5.827 1.00 0.00 N ATOM 957 CA GLU A 64 11.518 20.483 -5.162 1.00 0.00 C ATOM 958 C GLU A 64 11.676 20.181 -3.673 1.00 0.00 C ATOM 959 O GLU A 64 12.790 20.188 -3.149 1.00 0.00 O ATOM 960 CB GLU A 64 10.781 21.817 -5.346 1.00 0.00 C ATOM 961 CG GLU A 64 11.740 22.988 -5.097 1.00 0.00 C ATOM 962 CD GLU A 64 12.214 22.984 -3.647 1.00 0.00 C ATOM 963 OE1 GLU A 64 11.374 22.878 -2.769 1.00 0.00 O ATOM 964 OE2 GLU A 64 13.412 23.085 -3.436 1.00 0.00 O ATOM 0 H GLU A 64 9.775 19.573 -5.896 1.00 0.00 H new ATOM 0 HA GLU A 64 12.510 20.551 -5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.373 21.880 -6.355 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.938 21.874 -4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.597 22.914 -5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.240 23.930 -5.321 1.00 0.00 H new ATOM 971 N ASP A 65 10.556 19.952 -2.983 1.00 0.00 N ATOM 972 CA ASP A 65 10.589 19.695 -1.543 1.00 0.00 C ATOM 973 C ASP A 65 10.814 18.223 -1.198 1.00 0.00 C ATOM 974 O ASP A 65 11.099 17.903 -0.046 1.00 0.00 O ATOM 975 CB ASP A 65 9.270 20.151 -0.918 1.00 0.00 C ATOM 976 CG ASP A 65 9.148 21.668 -1.000 1.00 0.00 C ATOM 977 OD1 ASP A 65 9.416 22.208 -2.061 1.00 0.00 O ATOM 978 OD2 ASP A 65 8.788 22.269 -0.001 1.00 0.00 O ATOM 0 H ASP A 65 9.623 19.939 -3.395 1.00 0.00 H new ATOM 0 HA ASP A 65 11.434 20.255 -1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.433 19.683 -1.435 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.222 19.830 0.123 1.00 0.00 H new ATOM 983 N VAL A 66 10.689 17.323 -2.167 1.00 0.00 N ATOM 984 CA VAL A 66 10.891 15.906 -1.867 1.00 0.00 C ATOM 985 C VAL A 66 12.189 15.710 -1.092 1.00 0.00 C ATOM 986 O VAL A 66 12.384 14.695 -0.425 1.00 0.00 O ATOM 987 CB VAL A 66 10.937 15.066 -3.142 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.556 15.013 -3.784 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.912 15.679 -4.134 1.00 0.00 C ATOM 0 H VAL A 66 10.457 17.536 -3.137 1.00 0.00 H new ATOM 0 HA VAL A 66 10.046 15.576 -1.263 1.00 0.00 H new ATOM 0 HB VAL A 66 11.260 14.059 -2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.600 14.412 -4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.848 14.566 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.232 16.023 -4.033 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.938 15.073 -5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.590 16.690 -4.383 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.908 15.713 -3.692 1.00 0.00 H new ATOM 999 N ASP A 67 13.073 16.695 -1.192 1.00 0.00 N ATOM 1000 CA ASP A 67 14.359 16.637 -0.504 1.00 0.00 C ATOM 1001 C ASP A 67 14.171 16.448 0.999 1.00 0.00 C ATOM 1002 O ASP A 67 14.986 15.802 1.657 1.00 0.00 O ATOM 1003 CB ASP A 67 15.142 17.925 -0.762 1.00 0.00 C ATOM 1004 CG ASP A 67 15.489 18.035 -2.243 1.00 0.00 C ATOM 1005 OD1 ASP A 67 16.123 17.125 -2.751 1.00 0.00 O ATOM 1006 OD2 ASP A 67 15.115 19.027 -2.847 1.00 0.00 O ATOM 0 H ASP A 67 12.925 17.542 -1.741 1.00 0.00 H new ATOM 0 HA ASP A 67 14.914 15.783 -0.892 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.552 18.788 -0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.054 17.932 -0.165 1.00 0.00 H new ATOM 1011 N MET A 68 13.095 17.020 1.540 1.00 0.00 N ATOM 1012 CA MET A 68 12.817 16.911 2.976 1.00 0.00 C ATOM 1013 C MET A 68 11.917 15.708 3.265 1.00 0.00 C ATOM 1014 O MET A 68 11.964 15.134 4.352 1.00 0.00 O ATOM 1015 CB MET A 68 12.156 18.207 3.481 1.00 0.00 C ATOM 1016 CG MET A 68 10.656 18.219 3.148 1.00 0.00 C ATOM 1017 SD MET A 68 9.748 17.350 4.451 1.00 0.00 S ATOM 1018 CE MET A 68 8.084 17.631 3.798 1.00 0.00 C ATOM 0 H MET A 68 12.407 17.559 1.014 1.00 0.00 H new ATOM 0 HA MET A 68 13.760 16.763 3.502 1.00 0.00 H new ATOM 0 HB2 MET A 68 12.295 18.296 4.558 1.00 0.00 H new ATOM 0 HB3 MET A 68 12.641 19.070 3.025 1.00 0.00 H new ATOM 0 HG2 MET A 68 10.299 19.245 3.062 1.00 0.00 H new ATOM 0 HG3 MET A 68 10.482 17.739 2.185 1.00 0.00 H new ATOM 0 HE1 MET A 68 7.351 17.170 4.460 1.00 0.00 H new ATOM 0 HE2 MET A 68 7.894 18.702 3.736 1.00 0.00 H new ATOM 0 HE3 MET A 68 8.004 17.190 2.804 1.00 0.00 H new ATOM 1028 N LEU A 69 11.100 15.339 2.283 1.00 0.00 N ATOM 1029 CA LEU A 69 10.193 14.207 2.442 1.00 0.00 C ATOM 1030 C LEU A 69 10.954 12.982 2.941 1.00 0.00 C ATOM 1031 O LEU A 69 11.859 12.484 2.271 1.00 0.00 O ATOM 1032 CB LEU A 69 9.517 13.896 1.100 1.00 0.00 C ATOM 1033 CG LEU A 69 8.420 12.834 1.282 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.256 13.397 2.118 1.00 0.00 C ATOM 1035 CD2 LEU A 69 7.903 12.401 -0.098 1.00 0.00 C ATOM 0 H LEU A 69 11.047 15.803 1.376 1.00 0.00 H new ATOM 0 HA LEU A 69 9.431 14.464 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.085 14.806 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.260 13.541 0.386 1.00 0.00 H new ATOM 0 HG LEU A 69 8.840 11.976 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.489 12.631 2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.624 13.696 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.829 14.262 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.125 11.648 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.492 13.265 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.724 11.982 -0.679 1.00 0.00 H new ATOM 1047 N ASP A 70 10.586 12.507 4.129 1.00 0.00 N ATOM 1048 CA ASP A 70 11.241 11.344 4.727 1.00 0.00 C ATOM 1049 C ASP A 70 11.556 10.282 3.676 1.00 0.00 C ATOM 1050 O ASP A 70 12.466 9.472 3.854 1.00 0.00 O ATOM 1051 CB ASP A 70 10.343 10.740 5.806 1.00 0.00 C ATOM 1052 CG ASP A 70 10.022 11.789 6.865 1.00 0.00 C ATOM 1053 OD1 ASP A 70 9.554 12.854 6.494 1.00 0.00 O ATOM 1054 OD2 ASP A 70 10.247 11.513 8.032 1.00 0.00 O ATOM 0 H ASP A 70 9.839 12.908 4.696 1.00 0.00 H new ATOM 0 HA ASP A 70 12.179 11.678 5.170 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.421 10.370 5.358 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.839 9.886 6.267 1.00 0.00 H new ATOM 1059 N THR A 71 10.804 10.293 2.583 1.00 0.00 N ATOM 1060 CA THR A 71 11.024 9.326 1.515 1.00 0.00 C ATOM 1061 C THR A 71 12.370 9.610 0.828 1.00 0.00 C ATOM 1062 O THR A 71 12.537 10.675 0.235 1.00 0.00 O ATOM 1063 CB THR A 71 9.888 9.424 0.484 1.00 0.00 C ATOM 1064 OG1 THR A 71 8.658 9.643 1.159 1.00 0.00 O ATOM 1065 CG2 THR A 71 9.804 8.126 -0.324 1.00 0.00 C ATOM 0 H THR A 71 10.045 10.953 2.413 1.00 0.00 H new ATOM 0 HA THR A 71 11.040 8.322 1.939 1.00 0.00 H new ATOM 0 HB THR A 71 10.088 10.254 -0.194 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.930 9.692 0.505 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.997 8.203 -1.053 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.747 7.959 -0.844 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.608 7.291 0.348 1.00 0.00 H new ATOM 1073 N PRO A 72 13.333 8.713 0.890 1.00 0.00 N ATOM 1074 CA PRO A 72 14.661 8.946 0.249 1.00 0.00 C ATOM 1075 C PRO A 72 14.603 8.728 -1.267 1.00 0.00 C ATOM 1076 O PRO A 72 14.023 9.538 -1.989 1.00 0.00 O ATOM 1077 CB PRO A 72 15.565 7.933 0.958 1.00 0.00 C ATOM 1078 CG PRO A 72 14.662 6.780 1.260 1.00 0.00 C ATOM 1079 CD PRO A 72 13.287 7.392 1.557 1.00 0.00 C ATOM 0 HA PRO A 72 15.021 9.970 0.352 1.00 0.00 H new ATOM 0 HB2 PRO A 72 16.398 7.630 0.323 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.994 8.352 1.868 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.610 6.093 0.416 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.029 6.209 2.113 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.481 6.773 1.163 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.117 7.492 2.629 1.00 0.00 H new ATOM 1087 N MET A 73 15.197 7.638 -1.749 1.00 0.00 N ATOM 1088 CA MET A 73 15.189 7.344 -3.184 1.00 0.00 C ATOM 1089 C MET A 73 15.249 5.838 -3.430 1.00 0.00 C ATOM 1090 O MET A 73 15.314 5.396 -4.574 1.00 0.00 O ATOM 1091 CB MET A 73 16.386 8.029 -3.864 1.00 0.00 C ATOM 1092 CG MET A 73 16.082 8.278 -5.345 1.00 0.00 C ATOM 1093 SD MET A 73 17.631 8.563 -6.238 1.00 0.00 S ATOM 1094 CE MET A 73 18.175 10.009 -5.295 1.00 0.00 C ATOM 0 H MET A 73 15.685 6.950 -1.176 1.00 0.00 H new ATOM 0 HA MET A 73 14.261 7.727 -3.608 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.605 8.974 -3.366 1.00 0.00 H new ATOM 0 HB3 MET A 73 17.274 7.405 -3.768 1.00 0.00 H new ATOM 0 HG2 MET A 73 15.558 7.422 -5.769 1.00 0.00 H new ATOM 0 HG3 MET A 73 15.424 9.140 -5.452 1.00 0.00 H new ATOM 0 HE1 MET A 73 18.925 10.556 -5.867 1.00 0.00 H new ATOM 0 HE2 MET A 73 17.322 10.659 -5.101 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.607 9.685 -4.348 1.00 0.00 H new ATOM 1104 N SER A 74 15.235 5.057 -2.350 1.00 0.00 N ATOM 1105 CA SER A 74 15.288 3.599 -2.449 1.00 0.00 C ATOM 1106 C SER A 74 13.929 3.002 -2.108 1.00 0.00 C ATOM 1107 O SER A 74 13.607 1.887 -2.518 1.00 0.00 O ATOM 1108 CB SER A 74 16.344 3.049 -1.488 1.00 0.00 C ATOM 1109 OG SER A 74 17.507 3.863 -1.552 1.00 0.00 O ATOM 0 H SER A 74 15.187 5.411 -1.395 1.00 0.00 H new ATOM 0 HA SER A 74 15.553 3.326 -3.471 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.953 3.033 -0.471 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.591 2.020 -1.751 1.00 0.00 H new ATOM 0 HG SER A 74 18.185 3.514 -0.936 1.00 0.00 H new ATOM 1115 N ALA A 75 13.133 3.755 -1.355 1.00 0.00 N ATOM 1116 CA ALA A 75 11.810 3.295 -0.962 1.00 0.00 C ATOM 1117 C ALA A 75 10.900 3.185 -2.180 1.00 0.00 C ATOM 1118 O ALA A 75 10.030 2.318 -2.239 1.00 0.00 O ATOM 1119 CB ALA A 75 11.211 4.267 0.055 1.00 0.00 C ATOM 0 H ALA A 75 13.381 4.681 -1.007 1.00 0.00 H new ATOM 0 HA ALA A 75 11.899 2.308 -0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.220 3.921 0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.854 4.316 0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.132 5.258 -0.392 1.00 0.00 H new ATOM 1125 N LEU A 76 11.101 4.066 -3.154 1.00 0.00 N ATOM 1126 CA LEU A 76 10.283 4.029 -4.358 1.00 0.00 C ATOM 1127 C LEU A 76 10.571 2.749 -5.128 1.00 0.00 C ATOM 1128 O LEU A 76 9.661 1.993 -5.465 1.00 0.00 O ATOM 1129 CB LEU A 76 10.568 5.219 -5.275 1.00 0.00 C ATOM 1130 CG LEU A 76 10.498 6.552 -4.514 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.209 6.618 -3.693 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.720 6.738 -3.588 1.00 0.00 C ATOM 0 H LEU A 76 11.809 4.800 -3.135 1.00 0.00 H new ATOM 0 HA LEU A 76 9.239 4.071 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.556 5.106 -5.721 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.848 5.229 -6.093 1.00 0.00 H new ATOM 0 HG LEU A 76 10.505 7.358 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.167 7.566 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.349 6.539 -4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.191 5.796 -2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.639 7.691 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.752 5.927 -2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.633 6.728 -4.184 1.00 0.00 H new ATOM 1144 N LYS A 77 11.853 2.510 -5.396 1.00 0.00 N ATOM 1145 CA LYS A 77 12.251 1.312 -6.120 1.00 0.00 C ATOM 1146 C LYS A 77 11.636 0.099 -5.441 1.00 0.00 C ATOM 1147 O LYS A 77 11.224 -0.860 -6.094 1.00 0.00 O ATOM 1148 CB LYS A 77 13.777 1.168 -6.132 1.00 0.00 C ATOM 1149 CG LYS A 77 14.388 2.179 -7.109 1.00 0.00 C ATOM 1150 CD LYS A 77 14.093 3.603 -6.628 1.00 0.00 C ATOM 1151 CE LYS A 77 15.082 4.589 -7.260 1.00 0.00 C ATOM 1152 NZ LYS A 77 15.074 4.418 -8.741 1.00 0.00 N ATOM 0 H LYS A 77 12.622 3.123 -5.126 1.00 0.00 H new ATOM 0 HA LYS A 77 11.902 1.388 -7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.174 1.331 -5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.053 0.155 -6.423 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.465 2.025 -7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.977 2.029 -8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.072 3.880 -6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.165 3.650 -5.541 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.809 5.612 -7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.085 4.417 -6.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.537 5.235 -9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 15.587 3.549 -8.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.092 4.350 -9.077 1.00 0.00 H new ATOM 1166 N ASP A 78 11.577 0.162 -4.114 1.00 0.00 N ATOM 1167 CA ASP A 78 11.012 -0.918 -3.323 1.00 0.00 C ATOM 1168 C ASP A 78 9.509 -1.027 -3.577 1.00 0.00 C ATOM 1169 O ASP A 78 9.016 -2.072 -4.000 1.00 0.00 O ATOM 1170 CB ASP A 78 11.288 -0.656 -1.832 1.00 0.00 C ATOM 1171 CG ASP A 78 12.710 -1.082 -1.476 1.00 0.00 C ATOM 1172 OD1 ASP A 78 12.917 -2.263 -1.249 1.00 0.00 O ATOM 1173 OD2 ASP A 78 13.573 -0.219 -1.434 1.00 0.00 O ATOM 0 H ASP A 78 11.915 0.953 -3.566 1.00 0.00 H new ATOM 0 HA ASP A 78 11.477 -1.861 -3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.151 0.402 -1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.572 -1.205 -1.220 1.00 0.00 H new ATOM 1178 N ALA A 79 8.785 0.055 -3.308 1.00 0.00 N ATOM 1179 CA ALA A 79 7.337 0.067 -3.501 1.00 0.00 C ATOM 1180 C ALA A 79 6.962 -0.136 -4.971 1.00 0.00 C ATOM 1181 O ALA A 79 6.316 -1.124 -5.316 1.00 0.00 O ATOM 1182 CB ALA A 79 6.768 1.398 -3.004 1.00 0.00 C ATOM 0 H ALA A 79 9.173 0.931 -2.958 1.00 0.00 H new ATOM 0 HA ALA A 79 6.913 -0.759 -2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.688 1.408 -3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.994 1.518 -1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.216 2.218 -3.566 1.00 0.00 H new ATOM 1188 N VAL A 80 7.345 0.824 -5.821 1.00 0.00 N ATOM 1189 CA VAL A 80 7.029 0.773 -7.256 1.00 0.00 C ATOM 1190 C VAL A 80 7.027 -0.658 -7.794 1.00 0.00 C ATOM 1191 O VAL A 80 6.372 -0.954 -8.792 1.00 0.00 O ATOM 1192 CB VAL A 80 8.028 1.631 -8.037 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.328 0.858 -8.263 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.433 2.019 -9.396 1.00 0.00 C ATOM 0 H VAL A 80 7.876 1.648 -5.540 1.00 0.00 H new ATOM 0 HA VAL A 80 6.022 1.169 -7.389 1.00 0.00 H new ATOM 0 HB VAL A 80 8.239 2.530 -7.458 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.029 1.480 -8.819 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.765 0.591 -7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.118 -0.049 -8.830 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.149 2.629 -9.946 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.211 1.117 -9.967 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.515 2.587 -9.243 1.00 0.00 H new ATOM 1204 N ARG A 81 7.762 -1.536 -7.129 1.00 0.00 N ATOM 1205 CA ARG A 81 7.835 -2.929 -7.552 1.00 0.00 C ATOM 1206 C ARG A 81 6.567 -3.668 -7.149 1.00 0.00 C ATOM 1207 O ARG A 81 5.842 -4.201 -7.988 1.00 0.00 O ATOM 1208 CB ARG A 81 9.036 -3.621 -6.904 1.00 0.00 C ATOM 1209 CG ARG A 81 9.274 -4.975 -7.582 1.00 0.00 C ATOM 1210 CD ARG A 81 10.198 -5.833 -6.715 1.00 0.00 C ATOM 1211 NE ARG A 81 11.534 -5.247 -6.671 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.609 -5.995 -6.436 1.00 0.00 C ATOM 1213 NH1 ARG A 81 12.482 -7.277 -6.228 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.791 -5.444 -6.412 1.00 0.00 N ATOM 0 H ARG A 81 8.313 -1.313 -6.300 1.00 0.00 H new ATOM 0 HA ARG A 81 7.944 -2.949 -8.636 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.923 -2.995 -6.997 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.856 -3.763 -5.838 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.324 -5.487 -7.735 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.718 -4.826 -8.566 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.793 -5.911 -5.706 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.250 -6.845 -7.117 1.00 0.00 H new ATOM 0 HE ARG A 81 11.646 -4.245 -6.823 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.557 -7.707 -6.245 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.307 -7.849 -6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.890 -4.442 -6.573 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.617 -6.015 -6.232 1.00 0.00 H new ATOM 1228 N ILE A 82 6.334 -3.712 -5.847 1.00 0.00 N ATOM 1229 CA ILE A 82 5.182 -4.407 -5.299 1.00 0.00 C ATOM 1230 C ILE A 82 3.893 -4.093 -6.074 1.00 0.00 C ATOM 1231 O ILE A 82 3.085 -4.993 -6.299 1.00 0.00 O ATOM 1232 CB ILE A 82 5.026 -4.051 -3.810 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.064 -4.822 -2.987 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.623 -4.420 -3.319 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.127 -4.236 -1.576 1.00 0.00 C ATOM 0 H ILE A 82 6.931 -3.272 -5.147 1.00 0.00 H new ATOM 0 HA ILE A 82 5.355 -5.479 -5.400 1.00 0.00 H new ATOM 0 HB ILE A 82 5.177 -2.978 -3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.798 -5.878 -2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.042 -4.759 -3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.527 -4.163 -2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.879 -3.870 -3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.463 -5.490 -3.447 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.864 -4.782 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.412 -3.185 -1.631 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.149 -4.322 -1.102 1.00 0.00 H new ATOM 1247 N LEU A 83 3.685 -2.839 -6.484 1.00 0.00 N ATOM 1248 CA LEU A 83 2.461 -2.518 -7.226 1.00 0.00 C ATOM 1249 C LEU A 83 2.605 -2.978 -8.667 1.00 0.00 C ATOM 1250 O LEU A 83 1.638 -3.426 -9.285 1.00 0.00 O ATOM 1251 CB LEU A 83 2.097 -1.004 -7.210 1.00 0.00 C ATOM 1252 CG LEU A 83 2.640 -0.256 -5.967 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.649 -1.130 -4.702 1.00 0.00 C ATOM 1254 CD2 LEU A 83 4.031 0.273 -6.256 1.00 0.00 C ATOM 0 H LEU A 83 4.319 -2.056 -6.324 1.00 0.00 H new ATOM 0 HA LEU A 83 1.650 -3.044 -6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.492 -0.533 -8.110 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.013 -0.898 -7.244 1.00 0.00 H new ATOM 0 HG LEU A 83 1.963 0.574 -5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.039 -0.553 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.633 -1.455 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.281 -2.003 -4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.410 0.799 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.694 -0.558 -6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.991 0.960 -7.101 1.00 0.00 H new ATOM 1266 N TRP A 84 3.815 -2.871 -9.199 1.00 0.00 N ATOM 1267 CA TRP A 84 4.057 -3.291 -10.579 1.00 0.00 C ATOM 1268 C TRP A 84 3.507 -4.702 -10.802 1.00 0.00 C ATOM 1269 O TRP A 84 3.281 -5.119 -11.938 1.00 0.00 O ATOM 1270 CB TRP A 84 5.582 -3.260 -10.867 1.00 0.00 C ATOM 1271 CG TRP A 84 5.913 -2.283 -11.953 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.560 -2.590 -13.097 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.635 -0.855 -12.008 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.700 -1.442 -13.853 1.00 0.00 N ATOM 1275 CE2 TRP A 84 6.145 -0.346 -13.224 1.00 0.00 C ATOM 1276 CE3 TRP A 84 4.996 0.038 -11.129 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 6.028 1.004 -13.558 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.875 1.396 -11.462 1.00 0.00 C ATOM 1279 CH2 TRP A 84 5.390 1.878 -12.674 1.00 0.00 C ATOM 0 H TRP A 84 4.632 -2.505 -8.710 1.00 0.00 H new ATOM 0 HA TRP A 84 3.548 -2.608 -11.259 1.00 0.00 H new ATOM 0 HB2 TRP A 84 6.120 -2.992 -9.958 1.00 0.00 H new ATOM 0 HB3 TRP A 84 5.920 -4.255 -11.156 1.00 0.00 H new ATOM 0 HD1 TRP A 84 6.911 -3.573 -13.376 1.00 0.00 H new ATOM 0 HE1 TRP A 84 7.157 -1.409 -14.764 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.596 -0.323 -10.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.427 1.370 -14.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.382 2.074 -10.781 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.294 2.924 -12.924 1.00 0.00 H new ATOM 1290 N GLY A 85 3.313 -5.435 -9.709 1.00 0.00 N ATOM 1291 CA GLY A 85 2.812 -6.803 -9.793 1.00 0.00 C ATOM 1292 C GLY A 85 3.974 -7.772 -9.976 1.00 0.00 C ATOM 1293 O GLY A 85 3.779 -8.952 -10.269 1.00 0.00 O ATOM 0 H GLY A 85 3.494 -5.107 -8.760 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.258 -7.053 -8.888 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.117 -6.894 -10.627 1.00 0.00 H new ATOM 1297 N GLU A 86 5.190 -7.256 -9.794 1.00 0.00 N ATOM 1298 CA GLU A 86 6.405 -8.059 -9.930 1.00 0.00 C ATOM 1299 C GLU A 86 6.934 -8.419 -8.546 1.00 0.00 C ATOM 1300 O GLU A 86 7.968 -9.074 -8.411 1.00 0.00 O ATOM 1301 CB GLU A 86 7.464 -7.261 -10.708 1.00 0.00 C ATOM 1302 CG GLU A 86 8.497 -8.213 -11.324 1.00 0.00 C ATOM 1303 CD GLU A 86 7.865 -8.998 -12.467 1.00 0.00 C ATOM 1304 OE1 GLU A 86 6.996 -8.451 -13.127 1.00 0.00 O ATOM 1305 OE2 GLU A 86 8.258 -10.135 -12.667 1.00 0.00 O ATOM 0 H GLU A 86 5.360 -6.280 -9.551 1.00 0.00 H new ATOM 0 HA GLU A 86 6.179 -8.976 -10.475 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.985 -6.675 -11.493 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.960 -6.556 -10.042 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.353 -7.646 -11.691 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.871 -8.899 -10.564 1.00 0.00 H new ATOM 1312 N ALA A 87 6.204 -7.973 -7.524 1.00 0.00 N ATOM 1313 CA ALA A 87 6.567 -8.226 -6.129 1.00 0.00 C ATOM 1314 C ALA A 87 7.296 -9.565 -5.968 1.00 0.00 C ATOM 1315 O ALA A 87 8.246 -9.675 -5.193 1.00 0.00 O ATOM 1316 CB ALA A 87 5.290 -8.214 -5.274 1.00 0.00 C ATOM 0 H ALA A 87 5.349 -7.429 -7.638 1.00 0.00 H new ATOM 0 HA ALA A 87 7.249 -7.443 -5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.548 -8.402 -4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.805 -7.242 -5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.610 -8.990 -5.625 1.00 0.00 H new ATOM 1322 N GLU A 88 6.842 -10.573 -6.704 1.00 0.00 N ATOM 1323 CA GLU A 88 7.455 -11.894 -6.636 1.00 0.00 C ATOM 1324 C GLU A 88 8.969 -11.794 -6.792 1.00 0.00 C ATOM 1325 O GLU A 88 9.487 -10.793 -7.285 1.00 0.00 O ATOM 1326 CB GLU A 88 6.891 -12.790 -7.740 1.00 0.00 C ATOM 1327 CG GLU A 88 5.364 -12.800 -7.661 1.00 0.00 C ATOM 1328 CD GLU A 88 4.916 -13.354 -6.312 1.00 0.00 C ATOM 1329 OE1 GLU A 88 4.749 -14.558 -6.216 1.00 0.00 O ATOM 1330 OE2 GLU A 88 4.747 -12.566 -5.396 1.00 0.00 O ATOM 0 H GLU A 88 6.057 -10.502 -7.351 1.00 0.00 H new ATOM 0 HA GLU A 88 7.227 -12.326 -5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.213 -12.428 -8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.278 -13.804 -7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.978 -11.790 -7.795 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.954 -13.408 -8.468 1.00 0.00 H new ATOM 1337 N VAL A 89 9.671 -12.842 -6.373 1.00 0.00 N ATOM 1338 CA VAL A 89 11.127 -12.864 -6.476 1.00 0.00 C ATOM 1339 C VAL A 89 11.556 -13.032 -7.931 1.00 0.00 C ATOM 1340 O VAL A 89 10.917 -13.755 -8.695 1.00 0.00 O ATOM 1341 CB VAL A 89 11.696 -14.008 -5.635 1.00 0.00 C ATOM 1342 CG1 VAL A 89 13.225 -13.939 -5.647 1.00 0.00 C ATOM 1343 CG2 VAL A 89 11.192 -13.881 -4.196 1.00 0.00 C ATOM 0 H VAL A 89 9.260 -13.681 -5.962 1.00 0.00 H new ATOM 0 HA VAL A 89 11.514 -11.916 -6.102 1.00 0.00 H new ATOM 0 HB VAL A 89 11.372 -14.962 -6.052 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.631 -14.754 -5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.585 -14.028 -6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 89 13.549 -12.986 -5.230 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.597 -14.696 -3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.517 -12.927 -3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.103 -13.929 -4.186 1.00 0.00 H new ATOM 1353 N ASP A 90 12.637 -12.355 -8.308 1.00 0.00 N ATOM 1354 CA ASP A 90 13.137 -12.431 -9.678 1.00 0.00 C ATOM 1355 C ASP A 90 13.932 -13.715 -9.901 1.00 0.00 C ATOM 1356 O ASP A 90 13.956 -14.600 -9.047 1.00 0.00 O ATOM 1357 CB ASP A 90 14.025 -11.220 -9.974 1.00 0.00 C ATOM 1358 CG ASP A 90 15.232 -11.219 -9.041 1.00 0.00 C ATOM 1359 OD1 ASP A 90 15.026 -11.177 -7.839 1.00 0.00 O ATOM 1360 OD2 ASP A 90 16.343 -11.260 -9.542 1.00 0.00 O ATOM 0 H ASP A 90 13.180 -11.752 -7.690 1.00 0.00 H new ATOM 0 HA ASP A 90 12.281 -12.433 -10.353 1.00 0.00 H new ATOM 0 HB2 ASP A 90 14.357 -11.247 -11.012 1.00 0.00 H new ATOM 0 HB3 ASP A 90 13.455 -10.300 -9.846 1.00 0.00 H new ATOM 1365 N SER A 91 14.581 -13.806 -11.060 1.00 0.00 N ATOM 1366 CA SER A 91 15.373 -14.985 -11.398 1.00 0.00 C ATOM 1367 C SER A 91 16.526 -15.162 -10.413 1.00 0.00 C ATOM 1368 O SER A 91 16.651 -14.411 -9.447 1.00 0.00 O ATOM 1369 CB SER A 91 15.931 -14.849 -12.815 1.00 0.00 C ATOM 1370 OG SER A 91 14.856 -14.662 -13.726 1.00 0.00 O ATOM 0 H SER A 91 14.574 -13.081 -11.777 1.00 0.00 H new ATOM 0 HA SER A 91 14.725 -15.860 -11.342 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.619 -14.005 -12.868 1.00 0.00 H new ATOM 0 HB3 SER A 91 16.499 -15.740 -13.082 1.00 0.00 H new ATOM 0 HG SER A 91 15.210 -14.573 -14.636 1.00 0.00 H new ATOM 1376 N LEU A 92 17.365 -16.165 -10.667 1.00 0.00 N ATOM 1377 CA LEU A 92 18.505 -16.439 -9.796 1.00 0.00 C ATOM 1378 C LEU A 92 19.681 -15.526 -10.167 1.00 0.00 C ATOM 1379 O LEU A 92 19.838 -15.165 -11.333 1.00 0.00 O ATOM 1380 CB LEU A 92 18.938 -17.903 -9.944 1.00 0.00 C ATOM 1381 CG LEU A 92 17.922 -18.845 -9.271 1.00 0.00 C ATOM 1382 CD1 LEU A 92 17.916 -18.639 -7.743 1.00 0.00 C ATOM 1383 CD2 LEU A 92 16.517 -18.585 -9.837 1.00 0.00 C ATOM 0 H LEU A 92 17.278 -16.797 -11.463 1.00 0.00 H new ATOM 0 HA LEU A 92 18.209 -16.249 -8.764 1.00 0.00 H new ATOM 0 HB2 LEU A 92 19.030 -18.155 -11.001 1.00 0.00 H new ATOM 0 HB3 LEU A 92 19.922 -18.043 -9.497 1.00 0.00 H new ATOM 0 HG LEU A 92 18.213 -19.874 -9.480 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.191 -19.314 -7.288 1.00 0.00 H new ATOM 0 HD12 LEU A 92 18.908 -18.849 -7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 92 17.644 -17.608 -7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 92 15.802 -19.254 -9.358 1.00 0.00 H new ATOM 0 HD22 LEU A 92 16.232 -17.551 -9.643 1.00 0.00 H new ATOM 0 HD23 LEU A 92 16.519 -18.766 -10.912 1.00 0.00 H new ATOM 1395 N PRO A 93 20.513 -15.150 -9.218 1.00 0.00 N ATOM 1396 CA PRO A 93 21.687 -14.273 -9.494 1.00 0.00 C ATOM 1397 C PRO A 93 22.366 -14.614 -10.819 1.00 0.00 C ATOM 1398 O PRO A 93 22.857 -15.727 -11.007 1.00 0.00 O ATOM 1399 CB PRO A 93 22.616 -14.553 -8.310 1.00 0.00 C ATOM 1400 CG PRO A 93 21.700 -14.878 -7.171 1.00 0.00 C ATOM 1401 CD PRO A 93 20.437 -15.510 -7.787 1.00 0.00 C ATOM 0 HA PRO A 93 21.408 -13.224 -9.590 1.00 0.00 H new ATOM 0 HB2 PRO A 93 23.290 -15.382 -8.524 1.00 0.00 H new ATOM 0 HB3 PRO A 93 23.238 -13.687 -8.082 1.00 0.00 H new ATOM 0 HG2 PRO A 93 22.178 -15.567 -6.474 1.00 0.00 H new ATOM 0 HG3 PRO A 93 21.448 -13.979 -6.608 1.00 0.00 H new ATOM 0 HD2 PRO A 93 20.424 -16.591 -7.648 1.00 0.00 H new ATOM 0 HD3 PRO A 93 19.530 -15.119 -7.325 1.00 0.00 H new ATOM 1409 N GLN A 94 22.398 -13.648 -11.731 1.00 0.00 N ATOM 1410 CA GLN A 94 23.025 -13.860 -13.030 1.00 0.00 C ATOM 1411 C GLN A 94 24.547 -13.944 -12.868 1.00 0.00 C ATOM 1412 O GLN A 94 25.103 -13.342 -11.949 1.00 0.00 O ATOM 1413 CB GLN A 94 22.668 -12.702 -13.969 1.00 0.00 C ATOM 1414 CG GLN A 94 21.224 -12.859 -14.459 1.00 0.00 C ATOM 1415 CD GLN A 94 20.720 -11.537 -15.031 1.00 0.00 C ATOM 1416 OE1 GLN A 94 20.482 -11.430 -16.234 1.00 0.00 O ATOM 1417 NE2 GLN A 94 20.544 -10.518 -14.235 1.00 0.00 N ATOM 0 H GLN A 94 22.001 -12.718 -11.596 1.00 0.00 H new ATOM 0 HA GLN A 94 22.660 -14.795 -13.455 1.00 0.00 H new ATOM 0 HB2 GLN A 94 22.784 -11.751 -13.449 1.00 0.00 H new ATOM 0 HB3 GLN A 94 23.351 -12.687 -14.819 1.00 0.00 H new ATOM 0 HG2 GLN A 94 21.172 -13.637 -15.220 1.00 0.00 H new ATOM 0 HG3 GLN A 94 20.584 -13.176 -13.635 1.00 0.00 H new ATOM 0 HE21 GLN A 94 20.742 -10.609 -13.239 1.00 0.00 H new ATOM 0 HE22 GLN A 94 20.209 -9.630 -14.609 1.00 0.00 H new ATOM 1426 N PRO A 95 25.232 -14.666 -13.728 1.00 0.00 N ATOM 1427 CA PRO A 95 26.713 -14.802 -13.651 1.00 0.00 C ATOM 1428 C PRO A 95 27.393 -13.507 -13.208 1.00 0.00 C ATOM 1429 O PRO A 95 26.976 -12.415 -13.592 1.00 0.00 O ATOM 1430 CB PRO A 95 27.099 -15.170 -15.084 1.00 0.00 C ATOM 1431 CG PRO A 95 25.933 -15.958 -15.601 1.00 0.00 C ATOM 1432 CD PRO A 95 24.685 -15.430 -14.868 1.00 0.00 C ATOM 0 HA PRO A 95 27.027 -15.540 -12.912 1.00 0.00 H new ATOM 0 HB2 PRO A 95 27.275 -14.280 -15.688 1.00 0.00 H new ATOM 0 HB3 PRO A 95 28.017 -15.758 -15.109 1.00 0.00 H new ATOM 0 HG2 PRO A 95 25.830 -15.835 -16.679 1.00 0.00 H new ATOM 0 HG3 PRO A 95 26.071 -17.023 -15.413 1.00 0.00 H new ATOM 0 HD2 PRO A 95 24.079 -14.798 -15.517 1.00 0.00 H new ATOM 0 HD3 PRO A 95 24.046 -16.246 -14.531 1.00 0.00 H new ATOM 1440 N VAL A 96 28.438 -13.640 -12.399 1.00 0.00 N ATOM 1441 CA VAL A 96 29.166 -12.476 -11.910 1.00 0.00 C ATOM 1442 C VAL A 96 29.972 -11.836 -13.036 1.00 0.00 C ATOM 1443 O VAL A 96 29.716 -12.166 -14.182 1.00 0.00 O ATOM 1444 CB VAL A 96 30.104 -12.885 -10.775 1.00 0.00 C ATOM 1445 CG1 VAL A 96 29.284 -13.464 -9.620 1.00 0.00 C ATOM 1446 CG2 VAL A 96 31.087 -13.946 -11.280 1.00 0.00 C ATOM 1447 OXT VAL A 96 30.833 -11.026 -12.735 1.00 0.00 O ATOM 0 H VAL A 96 28.798 -14.536 -12.070 1.00 0.00 H new ATOM 0 HA VAL A 96 28.444 -11.749 -11.538 1.00 0.00 H new ATOM 0 HB VAL A 96 30.657 -12.011 -10.430 1.00 0.00 H new ATOM 0 HG11 VAL A 96 29.952 -13.756 -8.810 1.00 0.00 H new ATOM 0 HG12 VAL A 96 28.583 -12.712 -9.259 1.00 0.00 H new ATOM 0 HG13 VAL A 96 28.732 -14.337 -9.968 1.00 0.00 H new ATOM 0 HG21 VAL A 96 31.756 -14.237 -10.470 1.00 0.00 H new ATOM 0 HG22 VAL A 96 30.534 -14.819 -11.626 1.00 0.00 H new ATOM 0 HG23 VAL A 96 31.672 -13.537 -12.104 1.00 0.00 H new TER 1457 VAL A 96