USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 693 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 12 THR OG1 : rot -169:sc= -0.0127 USER MOD Set 1.2: A 23 LYS NZ :NH3+ -125:sc= -0.855 (180deg=-3.4!) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0635 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 130:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= -0.48 (180deg=-1.03) USER MOD Single : A 34 ASN : amide:sc= -0.0965 K(o=-0.096,f=-2!) USER MOD Single : A 39 SER OG : rot -170:sc= 0.0216 USER MOD Single : A 41 THR OG1 : rot 136:sc= -3.13! USER MOD Single : A 48 MET CE :methyl -150:sc= -4.08! (180deg=-6.98!) USER MOD Single : A 49 GLN : amide:sc= -0.0622 X(o=-0.062,f=-0.44) USER MOD Single : A 52 SER OG : rot 114:sc= 1.72 USER MOD Single : A 55 ASN : amide:sc= -0.0986 X(o=-0.099,f=-0.19) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -4.22 K(o=-4.2,f=-7.8!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-3.4) USER MOD Single : A 70 CYS SG : rot 30:sc= 1.28 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.826 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -72:sc= 0.81 USER MOD Single : A 90 LYS NZ :NH3+ -109:sc= 0.344 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.561 1.118 -1.798 1.00 0.00 N ATOM 2 CA GLY A 1 5.597 2.024 -1.338 1.00 0.00 C ATOM 3 C GLY A 1 5.045 3.156 -0.496 1.00 0.00 C ATOM 4 O GLY A 1 3.839 3.403 -0.464 1.00 0.00 O ATOM 0 H1 GLY A 1 4.705 0.181 -1.371 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.629 1.486 -1.519 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.605 1.037 -2.834 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.331 1.466 -0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.122 2.438 -2.199 1.00 0.00 H new ATOM 8 N PRO A 2 5.939 3.866 0.209 1.00 0.00 N ATOM 9 CA PRO A 2 5.557 4.989 1.070 1.00 0.00 C ATOM 10 C PRO A 2 5.081 6.197 0.270 1.00 0.00 C ATOM 11 O PRO A 2 5.889 6.958 -0.262 1.00 0.00 O ATOM 12 CB PRO A 2 6.851 5.319 1.818 1.00 0.00 C ATOM 13 CG PRO A 2 7.940 4.837 0.922 1.00 0.00 C ATOM 14 CD PRO A 2 7.392 3.627 0.218 1.00 0.00 C ATOM 0 HA PRO A 2 4.723 4.735 1.725 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.938 6.389 2.006 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.886 4.821 2.787 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.227 5.608 0.207 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.833 4.585 1.494 1.00 0.00 H new ATOM 0 HD2 PRO A 2 7.790 3.535 -0.792 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.645 2.707 0.745 1.00 0.00 H new ATOM 22 N GLY A 3 3.765 6.367 0.189 1.00 0.00 N ATOM 23 CA GLY A 3 3.206 7.485 -0.548 1.00 0.00 C ATOM 24 C GLY A 3 1.852 7.163 -1.150 1.00 0.00 C ATOM 25 O GLY A 3 1.637 7.351 -2.347 1.00 0.00 O ATOM 0 H GLY A 3 3.076 5.751 0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.110 8.343 0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.894 7.773 -1.343 1.00 0.00 H new ATOM 29 N SER A 4 0.937 6.677 -0.318 1.00 0.00 N ATOM 30 CA SER A 4 -0.401 6.322 -0.776 1.00 0.00 C ATOM 31 C SER A 4 -1.290 7.559 -0.866 1.00 0.00 C ATOM 32 O SER A 4 -1.453 8.292 0.110 1.00 0.00 O ATOM 33 CB SER A 4 -1.031 5.295 0.167 1.00 0.00 C ATOM 34 OG SER A 4 -2.443 5.287 0.043 1.00 0.00 O ATOM 0 H SER A 4 1.098 6.520 0.677 1.00 0.00 H new ATOM 0 HA SER A 4 -0.313 5.885 -1.771 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.638 4.303 -0.056 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.755 5.524 1.196 1.00 0.00 H new ATOM 0 HG SER A 4 -2.821 4.622 0.655 1.00 0.00 H new ATOM 40 N MET A 5 -1.862 7.785 -2.044 1.00 0.00 N ATOM 41 CA MET A 5 -2.736 8.933 -2.261 1.00 0.00 C ATOM 42 C MET A 5 -3.932 8.549 -3.126 1.00 0.00 C ATOM 43 O MET A 5 -3.993 7.443 -3.663 1.00 0.00 O ATOM 44 CB MET A 5 -1.959 10.074 -2.921 1.00 0.00 C ATOM 45 CG MET A 5 -1.350 11.049 -1.927 1.00 0.00 C ATOM 46 SD MET A 5 0.247 10.495 -1.300 1.00 0.00 S ATOM 47 CE MET A 5 1.359 11.275 -2.468 1.00 0.00 C ATOM 0 H MET A 5 -1.737 7.189 -2.862 1.00 0.00 H new ATOM 0 HA MET A 5 -3.104 9.267 -1.291 1.00 0.00 H new ATOM 0 HB2 MET A 5 -1.165 9.653 -3.537 1.00 0.00 H new ATOM 0 HB3 MET A 5 -2.626 10.618 -3.589 1.00 0.00 H new ATOM 0 HG2 MET A 5 -1.231 12.022 -2.404 1.00 0.00 H new ATOM 0 HG3 MET A 5 -2.036 11.186 -1.091 1.00 0.00 H new ATOM 0 HE1 MET A 5 2.389 11.026 -2.212 1.00 0.00 H new ATOM 0 HE2 MET A 5 1.139 10.918 -3.474 1.00 0.00 H new ATOM 0 HE3 MET A 5 1.227 12.356 -2.429 1.00 0.00 H new ATOM 57 N VAL A 6 -4.882 9.470 -3.256 1.00 0.00 N ATOM 58 CA VAL A 6 -6.076 9.228 -4.057 1.00 0.00 C ATOM 59 C VAL A 6 -6.439 10.454 -4.887 1.00 0.00 C ATOM 60 O VAL A 6 -6.146 11.586 -4.502 1.00 0.00 O ATOM 61 CB VAL A 6 -7.278 8.848 -3.171 1.00 0.00 C ATOM 62 CG1 VAL A 6 -7.080 7.466 -2.567 1.00 0.00 C ATOM 63 CG2 VAL A 6 -7.488 9.889 -2.083 1.00 0.00 C ATOM 0 H VAL A 6 -4.848 10.390 -2.817 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.847 8.396 -4.723 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.172 8.822 -3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.939 7.215 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.983 6.730 -3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.176 7.461 -1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.341 9.604 -1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.595 9.950 -1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.679 10.860 -2.540 1.00 0.00 H new ATOM 73 N ASP A 7 -7.079 10.221 -6.028 1.00 0.00 N ATOM 74 CA ASP A 7 -7.483 11.307 -6.913 1.00 0.00 C ATOM 75 C ASP A 7 -8.602 12.132 -6.284 1.00 0.00 C ATOM 76 O ASP A 7 -9.716 11.644 -6.093 1.00 0.00 O ATOM 77 CB ASP A 7 -7.941 10.750 -8.262 1.00 0.00 C ATOM 78 CG ASP A 7 -6.780 10.473 -9.197 1.00 0.00 C ATOM 79 OD1 ASP A 7 -5.762 9.921 -8.731 1.00 0.00 O ATOM 80 OD2 ASP A 7 -6.889 10.809 -10.395 1.00 0.00 O ATOM 0 H ASP A 7 -7.329 9.290 -6.361 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.621 11.955 -7.070 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.502 9.829 -8.100 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.622 11.459 -8.733 1.00 0.00 H new ATOM 85 N VAL A 8 -8.297 13.386 -5.964 1.00 0.00 N ATOM 86 CA VAL A 8 -9.276 14.280 -5.356 1.00 0.00 C ATOM 87 C VAL A 8 -9.836 15.259 -6.382 1.00 0.00 C ATOM 88 O VAL A 8 -9.093 16.032 -6.987 1.00 0.00 O ATOM 89 CB VAL A 8 -8.662 15.072 -4.187 1.00 0.00 C ATOM 90 CG1 VAL A 8 -9.700 15.994 -3.565 1.00 0.00 C ATOM 91 CG2 VAL A 8 -8.086 14.125 -3.146 1.00 0.00 C ATOM 0 H VAL A 8 -7.380 13.806 -6.116 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.084 13.655 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.849 15.687 -4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.249 16.546 -2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.061 16.696 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.535 15.402 -3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.656 14.702 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.878 13.483 -2.761 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.310 13.510 -3.603 1.00 0.00 H new ATOM 101 N ILE A 9 -11.151 15.221 -6.571 1.00 0.00 N ATOM 102 CA ILE A 9 -11.811 16.106 -7.522 1.00 0.00 C ATOM 103 C ILE A 9 -12.797 17.032 -6.818 1.00 0.00 C ATOM 104 O ILE A 9 -13.658 16.580 -6.063 1.00 0.00 O ATOM 105 CB ILE A 9 -12.558 15.309 -8.608 1.00 0.00 C ATOM 106 CG1 ILE A 9 -11.663 14.199 -9.163 1.00 0.00 C ATOM 107 CG2 ILE A 9 -13.016 16.236 -9.724 1.00 0.00 C ATOM 108 CD1 ILE A 9 -12.324 13.376 -10.247 1.00 0.00 C ATOM 0 H ILE A 9 -11.780 14.587 -6.078 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.029 16.702 -7.993 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.439 14.849 -8.160 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.751 14.644 -9.561 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.367 13.540 -8.347 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.542 15.658 -10.484 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.685 16.994 -9.316 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.149 16.721 -10.173 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.632 12.608 -10.594 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -13.221 12.903 -9.848 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.595 14.023 -11.081 1.00 0.00 H new ATOM 120 N ILE A 10 -12.666 18.330 -7.072 1.00 0.00 N ATOM 121 CA ILE A 10 -13.547 19.319 -6.464 1.00 0.00 C ATOM 122 C ILE A 10 -14.394 20.023 -7.520 1.00 0.00 C ATOM 123 O ILE A 10 -13.887 20.431 -8.565 1.00 0.00 O ATOM 124 CB ILE A 10 -12.750 20.374 -5.675 1.00 0.00 C ATOM 125 CG1 ILE A 10 -13.701 21.365 -5.000 1.00 0.00 C ATOM 126 CG2 ILE A 10 -11.782 21.103 -6.594 1.00 0.00 C ATOM 127 CD1 ILE A 10 -13.231 21.822 -3.637 1.00 0.00 C ATOM 0 H ILE A 10 -11.959 18.721 -7.694 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.200 18.780 -5.777 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.174 19.868 -4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -13.822 22.236 -5.644 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.683 20.903 -4.900 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.226 21.845 -6.022 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.086 20.387 -7.032 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -12.339 21.600 -7.388 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.954 22.522 -3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -13.137 20.960 -2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -12.263 22.313 -3.732 1.00 0.00 H new ATOM 139 N TYR A 11 -15.684 20.163 -7.238 1.00 0.00 N ATOM 140 CA TYR A 11 -16.602 20.817 -8.163 1.00 0.00 C ATOM 141 C TYR A 11 -17.044 22.173 -7.624 1.00 0.00 C ATOM 142 O TYR A 11 -17.620 22.266 -6.539 1.00 0.00 O ATOM 143 CB TYR A 11 -17.824 19.932 -8.414 1.00 0.00 C ATOM 144 CG TYR A 11 -17.786 19.208 -9.741 1.00 0.00 C ATOM 145 CD1 TYR A 11 -16.607 18.647 -10.216 1.00 0.00 C ATOM 146 CD2 TYR A 11 -18.930 19.085 -10.520 1.00 0.00 C ATOM 147 CE1 TYR A 11 -16.567 17.986 -11.428 1.00 0.00 C ATOM 148 CE2 TYR A 11 -18.900 18.424 -11.733 1.00 0.00 C ATOM 149 CZ TYR A 11 -17.716 17.877 -12.183 1.00 0.00 C ATOM 150 OH TYR A 11 -17.682 17.218 -13.390 1.00 0.00 O ATOM 0 H TYR A 11 -16.118 19.832 -6.376 1.00 0.00 H new ATOM 0 HA TYR A 11 -16.077 20.975 -9.105 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -17.902 19.198 -7.612 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -18.723 20.547 -8.371 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -15.706 18.729 -9.627 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -19.858 19.513 -10.172 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -15.641 17.557 -11.782 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -19.799 18.336 -12.326 1.00 0.00 H new ATOM 0 HH TYR A 11 -18.409 16.562 -13.425 1.00 0.00 H new ATOM 160 N THR A 12 -16.772 23.225 -8.390 1.00 0.00 N ATOM 161 CA THR A 12 -17.140 24.578 -7.990 1.00 0.00 C ATOM 162 C THR A 12 -17.547 25.416 -9.197 1.00 0.00 C ATOM 163 O THR A 12 -17.139 25.136 -10.325 1.00 0.00 O ATOM 164 CB THR A 12 -15.983 25.282 -7.257 1.00 0.00 C ATOM 165 OG1 THR A 12 -14.986 25.694 -8.197 1.00 0.00 O ATOM 166 CG2 THR A 12 -15.360 24.360 -6.220 1.00 0.00 C ATOM 0 H THR A 12 -16.298 23.166 -9.291 1.00 0.00 H new ATOM 0 HA THR A 12 -17.988 24.487 -7.311 1.00 0.00 H new ATOM 0 HB THR A 12 -16.384 26.158 -6.747 1.00 0.00 H new ATOM 0 HG1 THR A 12 -14.182 25.981 -7.716 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.545 24.879 -5.715 1.00 0.00 H new ATOM 0 HG22 THR A 12 -16.115 24.072 -5.489 1.00 0.00 H new ATOM 0 HG23 THR A 12 -14.973 23.468 -6.712 1.00 0.00 H new ATOM 174 N ARG A 13 -18.352 26.444 -8.953 1.00 0.00 N ATOM 175 CA ARG A 13 -18.814 27.323 -10.021 1.00 0.00 C ATOM 176 C ARG A 13 -18.055 28.647 -10.002 1.00 0.00 C ATOM 177 O ARG A 13 -17.550 29.086 -8.969 1.00 0.00 O ATOM 178 CB ARG A 13 -20.315 27.582 -9.884 1.00 0.00 C ATOM 179 CG ARG A 13 -20.702 28.241 -8.570 1.00 0.00 C ATOM 180 CD ARG A 13 -22.106 28.822 -8.630 1.00 0.00 C ATOM 181 NE ARG A 13 -22.258 29.772 -9.728 1.00 0.00 N ATOM 182 CZ ARG A 13 -23.391 30.414 -9.994 1.00 0.00 C ATOM 183 NH1 ARG A 13 -24.464 30.209 -9.243 1.00 0.00 N ATOM 184 NH2 ARG A 13 -23.450 31.264 -11.011 1.00 0.00 N ATOM 0 H ARG A 13 -18.698 26.689 -8.025 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.623 26.828 -10.973 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -20.643 28.215 -10.709 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -20.848 26.636 -9.977 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -20.644 27.510 -7.764 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -19.990 29.032 -8.335 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -22.828 28.014 -8.747 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -22.334 29.319 -7.687 1.00 0.00 H new ATOM 0 HE ARG A 13 -21.450 29.953 -10.324 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -24.421 29.558 -8.459 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -25.332 30.703 -9.449 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -22.625 31.425 -11.589 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -24.320 31.756 -11.214 1.00 0.00 H new ATOM 198 N PRO A 14 -17.971 29.298 -11.172 1.00 0.00 N ATOM 199 CA PRO A 14 -17.276 30.580 -11.316 1.00 0.00 C ATOM 200 C PRO A 14 -18.013 31.721 -10.622 1.00 0.00 C ATOM 201 O PRO A 14 -18.578 32.596 -11.276 1.00 0.00 O ATOM 202 CB PRO A 14 -17.252 30.802 -12.830 1.00 0.00 C ATOM 203 CG PRO A 14 -18.416 30.028 -13.345 1.00 0.00 C ATOM 204 CD PRO A 14 -18.549 28.833 -12.443 1.00 0.00 C ATOM 0 HA PRO A 14 -16.287 30.561 -10.858 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -17.340 31.860 -13.076 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -16.318 30.450 -13.267 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.324 30.631 -13.330 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.254 29.721 -14.378 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -19.590 28.533 -12.325 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -18.011 27.971 -12.837 1.00 0.00 H new ATOM 212 N GLY A 15 -18.002 31.704 -9.292 1.00 0.00 N ATOM 213 CA GLY A 15 -18.673 32.742 -8.532 1.00 0.00 C ATOM 214 C GLY A 15 -19.416 32.193 -7.330 1.00 0.00 C ATOM 215 O GLY A 15 -20.643 32.263 -7.264 1.00 0.00 O ATOM 0 H GLY A 15 -17.541 30.990 -8.728 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.939 33.475 -8.198 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.375 33.267 -9.180 1.00 0.00 H new ATOM 219 N CYS A 16 -18.671 31.642 -6.377 1.00 0.00 N ATOM 220 CA CYS A 16 -19.265 31.077 -5.172 1.00 0.00 C ATOM 221 C CYS A 16 -18.301 31.173 -3.993 1.00 0.00 C ATOM 222 O CYS A 16 -17.151 30.738 -4.062 1.00 0.00 O ATOM 223 CB CYS A 16 -19.655 29.616 -5.408 1.00 0.00 C ATOM 224 SG CYS A 16 -18.334 28.605 -6.151 1.00 0.00 S ATOM 0 H CYS A 16 -17.654 31.575 -6.417 1.00 0.00 H new ATOM 0 HA CYS A 16 -20.160 31.652 -4.934 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -19.947 29.171 -4.457 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -20.530 29.585 -6.057 1.00 0.00 H new ATOM 229 N PRO A 17 -18.779 31.756 -2.884 1.00 0.00 N ATOM 230 CA PRO A 17 -17.977 31.923 -1.669 1.00 0.00 C ATOM 231 C PRO A 17 -17.701 30.596 -0.970 1.00 0.00 C ATOM 232 O PRO A 17 -16.566 30.308 -0.590 1.00 0.00 O ATOM 233 CB PRO A 17 -18.851 32.820 -0.788 1.00 0.00 C ATOM 234 CG PRO A 17 -20.243 32.571 -1.256 1.00 0.00 C ATOM 235 CD PRO A 17 -20.140 32.297 -2.731 1.00 0.00 C ATOM 0 HA PRO A 17 -16.994 32.341 -1.884 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.737 32.570 0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -18.578 33.870 -0.898 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.686 31.724 -0.732 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.880 33.434 -1.063 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -20.895 31.584 -3.061 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.280 33.204 -3.319 1.00 0.00 H new ATOM 243 N TYR A 18 -18.745 29.792 -0.804 1.00 0.00 N ATOM 244 CA TYR A 18 -18.615 28.496 -0.149 1.00 0.00 C ATOM 245 C TYR A 18 -17.472 27.689 -0.759 1.00 0.00 C ATOM 246 O TYR A 18 -16.771 26.957 -0.060 1.00 0.00 O ATOM 247 CB TYR A 18 -19.923 27.711 -0.260 1.00 0.00 C ATOM 248 CG TYR A 18 -21.050 28.294 0.563 1.00 0.00 C ATOM 249 CD1 TYR A 18 -21.139 28.048 1.928 1.00 0.00 C ATOM 250 CD2 TYR A 18 -22.025 29.091 -0.024 1.00 0.00 C ATOM 251 CE1 TYR A 18 -22.168 28.577 2.683 1.00 0.00 C ATOM 252 CE2 TYR A 18 -23.056 29.626 0.724 1.00 0.00 C ATOM 253 CZ TYR A 18 -23.123 29.366 2.077 1.00 0.00 C ATOM 254 OH TYR A 18 -24.148 29.896 2.826 1.00 0.00 O ATOM 0 H TYR A 18 -19.691 30.015 -1.114 1.00 0.00 H new ATOM 0 HA TYR A 18 -18.392 28.671 0.903 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -20.228 27.676 -1.306 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -19.748 26.683 0.056 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -20.391 27.433 2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -21.976 29.296 -1.083 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -22.224 28.374 3.742 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -23.805 30.244 0.252 1.00 0.00 H new ATOM 0 HH TYR A 18 -24.734 30.428 2.248 1.00 0.00 H new ATOM 264 N CYS A 19 -17.290 27.830 -2.067 1.00 0.00 N ATOM 265 CA CYS A 19 -16.233 27.117 -2.774 1.00 0.00 C ATOM 266 C CYS A 19 -14.862 27.683 -2.417 1.00 0.00 C ATOM 267 O CYS A 19 -13.947 26.942 -2.057 1.00 0.00 O ATOM 268 CB CYS A 19 -16.454 27.201 -4.286 1.00 0.00 C ATOM 269 SG CYS A 19 -18.187 26.968 -4.797 1.00 0.00 S ATOM 0 H CYS A 19 -17.861 28.432 -2.660 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.266 26.072 -2.467 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.109 28.173 -4.640 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -15.837 26.447 -4.775 1.00 0.00 H new ATOM 274 N ALA A 20 -14.727 29.001 -2.520 1.00 0.00 N ATOM 275 CA ALA A 20 -13.469 29.667 -2.206 1.00 0.00 C ATOM 276 C ALA A 20 -12.932 29.216 -0.852 1.00 0.00 C ATOM 277 O ALA A 20 -11.752 28.892 -0.718 1.00 0.00 O ATOM 278 CB ALA A 20 -13.652 31.178 -2.227 1.00 0.00 C ATOM 0 H ALA A 20 -15.474 29.629 -2.819 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.740 29.390 -2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.705 31.663 -1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.982 31.491 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -14.400 31.464 -1.488 1.00 0.00 H new ATOM 284 N ARG A 21 -13.805 29.199 0.150 1.00 0.00 N ATOM 285 CA ARG A 21 -13.418 28.790 1.494 1.00 0.00 C ATOM 286 C ARG A 21 -12.918 27.348 1.501 1.00 0.00 C ATOM 287 O ARG A 21 -11.839 27.057 2.015 1.00 0.00 O ATOM 288 CB ARG A 21 -14.599 28.936 2.455 1.00 0.00 C ATOM 289 CG ARG A 21 -14.874 30.372 2.869 1.00 0.00 C ATOM 290 CD ARG A 21 -13.686 30.978 3.601 1.00 0.00 C ATOM 291 NE ARG A 21 -14.100 31.980 4.580 1.00 0.00 N ATOM 292 CZ ARG A 21 -13.258 32.818 5.174 1.00 0.00 C ATOM 293 NH1 ARG A 21 -11.964 32.775 4.890 1.00 0.00 N ATOM 294 NH2 ARG A 21 -13.710 33.703 6.053 1.00 0.00 N ATOM 0 H ARG A 21 -14.785 29.464 0.056 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.607 29.439 1.824 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.492 28.525 1.984 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.406 28.340 3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.102 30.969 1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.754 30.404 3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.129 30.188 4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.009 31.435 2.879 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.089 32.039 4.820 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.613 32.097 4.214 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.320 33.420 5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.705 33.740 6.273 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.062 34.346 6.508 1.00 0.00 H new ATOM 308 N ALA A 22 -13.711 26.450 0.926 1.00 0.00 N ATOM 309 CA ALA A 22 -13.349 25.039 0.864 1.00 0.00 C ATOM 310 C ALA A 22 -11.973 24.853 0.235 1.00 0.00 C ATOM 311 O ALA A 22 -11.071 24.281 0.847 1.00 0.00 O ATOM 312 CB ALA A 22 -14.398 24.258 0.086 1.00 0.00 C ATOM 0 H ALA A 22 -14.608 26.674 0.496 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.309 24.655 1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.114 23.206 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.365 24.356 0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.467 24.652 -0.928 1.00 0.00 H new ATOM 318 N LYS A 23 -11.817 25.339 -0.992 1.00 0.00 N ATOM 319 CA LYS A 23 -10.551 25.227 -1.705 1.00 0.00 C ATOM 320 C LYS A 23 -9.400 25.758 -0.857 1.00 0.00 C ATOM 321 O LYS A 23 -8.356 25.117 -0.738 1.00 0.00 O ATOM 322 CB LYS A 23 -10.618 25.991 -3.029 1.00 0.00 C ATOM 323 CG LYS A 23 -11.842 25.655 -3.864 1.00 0.00 C ATOM 324 CD LYS A 23 -11.468 25.359 -5.307 1.00 0.00 C ATOM 325 CE LYS A 23 -10.913 26.592 -6.003 1.00 0.00 C ATOM 326 NZ LYS A 23 -11.578 26.835 -7.313 1.00 0.00 N ATOM 0 H LYS A 23 -12.553 25.815 -1.513 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.371 24.172 -1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.612 27.061 -2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.722 25.774 -3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.351 24.792 -3.435 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.545 26.488 -3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.728 24.560 -5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.345 25.000 -5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.046 27.463 -5.361 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.841 26.471 -6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.859 26.891 -8.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.233 26.054 -7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.107 27.729 -7.273 1.00 0.00 H new ATOM 340 N ALA A 24 -9.598 26.933 -0.268 1.00 0.00 N ATOM 341 CA ALA A 24 -8.578 27.549 0.572 1.00 0.00 C ATOM 342 C ALA A 24 -8.226 26.652 1.754 1.00 0.00 C ATOM 343 O ALA A 24 -7.074 26.600 2.185 1.00 0.00 O ATOM 344 CB ALA A 24 -9.049 28.910 1.061 1.00 0.00 C ATOM 0 H ALA A 24 -10.456 27.478 -0.357 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.679 27.683 -0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.278 29.359 1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.243 29.557 0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.964 28.791 1.642 1.00 0.00 H new ATOM 350 N LEU A 25 -9.225 25.948 2.274 1.00 0.00 N ATOM 351 CA LEU A 25 -9.021 25.052 3.408 1.00 0.00 C ATOM 352 C LEU A 25 -8.164 23.855 3.009 1.00 0.00 C ATOM 353 O LEU A 25 -7.245 23.468 3.732 1.00 0.00 O ATOM 354 CB LEU A 25 -10.368 24.572 3.952 1.00 0.00 C ATOM 355 CG LEU A 25 -10.377 24.116 5.412 1.00 0.00 C ATOM 356 CD1 LEU A 25 -9.521 22.871 5.588 1.00 0.00 C ATOM 357 CD2 LEU A 25 -9.891 25.233 6.323 1.00 0.00 C ATOM 0 H LEU A 25 -10.184 25.980 1.929 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.498 25.605 4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.091 25.380 3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.714 23.745 3.332 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.402 23.869 5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.540 22.561 6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.914 22.068 4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.495 23.090 5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.904 24.890 7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.874 25.512 6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.546 26.098 6.219 1.00 0.00 H new ATOM 369 N LEU A 26 -8.469 23.275 1.854 1.00 0.00 N ATOM 370 CA LEU A 26 -7.726 22.122 1.357 1.00 0.00 C ATOM 371 C LEU A 26 -6.302 22.516 0.977 1.00 0.00 C ATOM 372 O LEU A 26 -5.371 21.723 1.114 1.00 0.00 O ATOM 373 CB LEU A 26 -8.438 21.513 0.148 1.00 0.00 C ATOM 374 CG LEU A 26 -9.412 20.373 0.447 1.00 0.00 C ATOM 375 CD1 LEU A 26 -10.547 20.361 -0.565 1.00 0.00 C ATOM 376 CD2 LEU A 26 -8.684 19.037 0.450 1.00 0.00 C ATOM 0 H LEU A 26 -9.226 23.584 1.244 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.679 21.380 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.984 22.305 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.682 21.146 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.838 20.535 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.230 19.543 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.086 21.307 -0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.140 20.224 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.393 18.237 0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.230 18.868 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.907 19.048 1.214 1.00 0.00 H new ATOM 388 N ALA A 27 -6.140 23.746 0.502 1.00 0.00 N ATOM 389 CA ALA A 27 -4.829 24.246 0.106 1.00 0.00 C ATOM 390 C ALA A 27 -3.967 24.550 1.327 1.00 0.00 C ATOM 391 O ALA A 27 -2.738 24.520 1.253 1.00 0.00 O ATOM 392 CB ALA A 27 -4.978 25.488 -0.760 1.00 0.00 C ATOM 0 H ALA A 27 -6.900 24.415 0.382 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.330 23.470 -0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.992 25.851 -1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.550 25.241 -1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.500 26.263 -0.198 1.00 0.00 H new ATOM 398 N ARG A 28 -4.618 24.843 2.447 1.00 0.00 N ATOM 399 CA ARG A 28 -3.910 25.155 3.683 1.00 0.00 C ATOM 400 C ARG A 28 -3.083 23.961 4.152 1.00 0.00 C ATOM 401 O ARG A 28 -2.103 24.118 4.880 1.00 0.00 O ATOM 402 CB ARG A 28 -4.901 25.563 4.775 1.00 0.00 C ATOM 403 CG ARG A 28 -4.330 26.553 5.776 1.00 0.00 C ATOM 404 CD ARG A 28 -5.428 27.206 6.602 1.00 0.00 C ATOM 405 NE ARG A 28 -5.866 26.353 7.703 1.00 0.00 N ATOM 406 CZ ARG A 28 -6.936 26.606 8.448 1.00 0.00 C ATOM 407 NH1 ARG A 28 -7.673 27.683 8.212 1.00 0.00 N ATOM 408 NH2 ARG A 28 -7.271 25.781 9.432 1.00 0.00 N ATOM 0 H ARG A 28 -5.635 24.871 2.525 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.235 25.988 3.485 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.784 26.000 4.308 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.230 24.670 5.307 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.631 26.041 6.438 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.765 27.321 5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.067 28.154 7.000 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.278 27.433 5.959 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.320 25.517 7.911 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.419 28.320 7.457 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.494 27.875 8.786 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.707 24.952 9.617 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.093 25.976 10.004 1.00 0.00 H new ATOM 422 N LYS A 29 -3.486 22.767 3.730 1.00 0.00 N ATOM 423 CA LYS A 29 -2.784 21.545 4.105 1.00 0.00 C ATOM 424 C LYS A 29 -1.938 21.027 2.946 1.00 0.00 C ATOM 425 O LYS A 29 -1.310 19.974 3.046 1.00 0.00 O ATOM 426 CB LYS A 29 -3.783 20.472 4.542 1.00 0.00 C ATOM 427 CG LYS A 29 -4.985 20.349 3.622 1.00 0.00 C ATOM 428 CD LYS A 29 -5.928 19.250 4.080 1.00 0.00 C ATOM 429 CE LYS A 29 -6.635 19.625 5.374 1.00 0.00 C ATOM 430 NZ LYS A 29 -6.725 18.471 6.311 1.00 0.00 N ATOM 0 H LYS A 29 -4.296 22.620 3.128 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.122 21.777 4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.273 19.510 4.590 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.129 20.699 5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.519 21.299 3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.647 20.140 2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.668 19.057 3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.368 18.326 4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.100 20.443 5.856 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.637 19.988 5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.468 18.653 7.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.957 17.609 5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.813 18.344 6.794 1.00 0.00 H new ATOM 444 N GLY A 30 -1.926 21.775 1.846 1.00 0.00 N ATOM 445 CA GLY A 30 -1.153 21.374 0.685 1.00 0.00 C ATOM 446 C GLY A 30 -1.806 20.243 -0.084 1.00 0.00 C ATOM 447 O GLY A 30 -1.188 19.644 -0.963 1.00 0.00 O ATOM 0 H GLY A 30 -2.438 22.651 1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.024 22.231 0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.158 21.065 1.004 1.00 0.00 H new ATOM 451 N ALA A 31 -3.059 19.950 0.248 1.00 0.00 N ATOM 452 CA ALA A 31 -3.797 18.884 -0.419 1.00 0.00 C ATOM 453 C ALA A 31 -4.086 19.243 -1.872 1.00 0.00 C ATOM 454 O ALA A 31 -4.820 20.190 -2.153 1.00 0.00 O ATOM 455 CB ALA A 31 -5.093 18.596 0.324 1.00 0.00 C ATOM 0 H ALA A 31 -3.584 20.436 0.975 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.179 17.986 -0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.634 17.798 -0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.866 18.288 1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.708 19.496 0.345 1.00 0.00 H new ATOM 461 N GLU A 32 -3.503 18.480 -2.792 1.00 0.00 N ATOM 462 CA GLU A 32 -3.698 18.719 -4.217 1.00 0.00 C ATOM 463 C GLU A 32 -5.035 18.153 -4.686 1.00 0.00 C ATOM 464 O GLU A 32 -5.388 17.017 -4.367 1.00 0.00 O ATOM 465 CB GLU A 32 -2.557 18.095 -5.023 1.00 0.00 C ATOM 466 CG GLU A 32 -2.570 16.575 -5.020 1.00 0.00 C ATOM 467 CD GLU A 32 -1.228 15.980 -5.401 1.00 0.00 C ATOM 468 OE1 GLU A 32 -0.951 15.868 -6.613 1.00 0.00 O ATOM 469 OE2 GLU A 32 -0.456 15.625 -4.486 1.00 0.00 O ATOM 0 H GLU A 32 -2.892 17.692 -2.576 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.702 19.797 -4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.615 18.448 -6.052 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.606 18.443 -4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.853 16.220 -4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.331 16.220 -5.715 1.00 0.00 H new ATOM 476 N PHE A 33 -5.776 18.953 -5.446 1.00 0.00 N ATOM 477 CA PHE A 33 -7.075 18.533 -5.958 1.00 0.00 C ATOM 478 C PHE A 33 -7.354 19.166 -7.318 1.00 0.00 C ATOM 479 O PHE A 33 -6.921 20.284 -7.595 1.00 0.00 O ATOM 480 CB PHE A 33 -8.182 18.911 -4.971 1.00 0.00 C ATOM 481 CG PHE A 33 -8.193 20.369 -4.612 1.00 0.00 C ATOM 482 CD1 PHE A 33 -8.761 21.302 -5.464 1.00 0.00 C ATOM 483 CD2 PHE A 33 -7.635 20.807 -3.421 1.00 0.00 C ATOM 484 CE1 PHE A 33 -8.774 22.645 -5.136 1.00 0.00 C ATOM 485 CE2 PHE A 33 -7.645 22.148 -3.088 1.00 0.00 C ATOM 486 CZ PHE A 33 -8.214 23.068 -3.947 1.00 0.00 C ATOM 0 H PHE A 33 -5.499 19.895 -5.721 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.058 17.450 -6.077 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.147 18.644 -5.400 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.064 18.322 -4.062 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.199 20.976 -6.396 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.188 20.092 -2.746 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.221 23.362 -5.809 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.208 22.477 -2.157 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.221 24.117 -3.689 1.00 0.00 H new ATOM 496 N ASN A 34 -8.079 18.441 -8.164 1.00 0.00 N ATOM 497 CA ASN A 34 -8.415 18.930 -9.496 1.00 0.00 C ATOM 498 C ASN A 34 -9.658 19.814 -9.454 1.00 0.00 C ATOM 499 O ASN A 34 -10.732 19.371 -9.049 1.00 0.00 O ATOM 500 CB ASN A 34 -8.642 17.756 -10.451 1.00 0.00 C ATOM 501 CG ASN A 34 -8.397 18.133 -11.899 1.00 0.00 C ATOM 502 OD1 ASN A 34 -7.748 19.138 -12.190 1.00 0.00 O ATOM 503 ND2 ASN A 34 -8.919 17.327 -12.817 1.00 0.00 N ATOM 0 H ASN A 34 -8.445 17.513 -7.951 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.578 19.528 -9.858 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.981 16.934 -10.176 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.664 17.394 -10.341 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -8.789 17.531 -13.808 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.450 16.504 -12.531 1.00 0.00 H new ATOM 510 N GLU A 35 -9.503 21.065 -9.877 1.00 0.00 N ATOM 511 CA GLU A 35 -10.614 22.010 -9.887 1.00 0.00 C ATOM 512 C GLU A 35 -11.428 21.879 -11.171 1.00 0.00 C ATOM 513 O GLU A 35 -10.915 22.099 -12.269 1.00 0.00 O ATOM 514 CB GLU A 35 -10.095 23.442 -9.743 1.00 0.00 C ATOM 515 CG GLU A 35 -11.197 24.487 -9.696 1.00 0.00 C ATOM 516 CD GLU A 35 -10.806 25.778 -10.388 1.00 0.00 C ATOM 517 OE1 GLU A 35 -9.604 26.119 -10.372 1.00 0.00 O ATOM 518 OE2 GLU A 35 -11.700 26.448 -10.945 1.00 0.00 O ATOM 0 H GLU A 35 -8.620 21.447 -10.217 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.262 21.779 -9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.499 23.514 -8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.430 23.664 -10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.094 24.085 -10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.449 24.698 -8.657 1.00 0.00 H new ATOM 525 N ILE A 36 -12.698 21.519 -11.025 1.00 0.00 N ATOM 526 CA ILE A 36 -13.583 21.359 -12.172 1.00 0.00 C ATOM 527 C ILE A 36 -14.882 22.134 -11.976 1.00 0.00 C ATOM 528 O ILE A 36 -15.376 22.265 -10.856 1.00 0.00 O ATOM 529 CB ILE A 36 -13.916 19.877 -12.424 1.00 0.00 C ATOM 530 CG1 ILE A 36 -12.631 19.062 -12.577 1.00 0.00 C ATOM 531 CG2 ILE A 36 -14.791 19.734 -13.661 1.00 0.00 C ATOM 532 CD1 ILE A 36 -12.866 17.569 -12.649 1.00 0.00 C ATOM 0 H ILE A 36 -13.138 21.332 -10.124 1.00 0.00 H new ATOM 0 HA ILE A 36 -13.053 21.756 -13.038 1.00 0.00 H new ATOM 0 HB ILE A 36 -14.468 19.493 -11.566 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -12.112 19.384 -13.480 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.972 19.278 -11.736 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.018 18.681 -13.826 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -15.719 20.287 -13.516 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.263 20.132 -14.528 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.911 17.055 -12.757 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -13.357 17.234 -11.736 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.500 17.341 -13.506 1.00 0.00 H new ATOM 544 N ASP A 37 -15.431 22.645 -13.073 1.00 0.00 N ATOM 545 CA ASP A 37 -16.675 23.404 -13.023 1.00 0.00 C ATOM 546 C ASP A 37 -17.826 22.602 -13.622 1.00 0.00 C ATOM 547 O ASP A 37 -17.650 21.888 -14.609 1.00 0.00 O ATOM 548 CB ASP A 37 -16.518 24.730 -13.770 1.00 0.00 C ATOM 549 CG ASP A 37 -15.701 25.741 -12.989 1.00 0.00 C ATOM 550 OD1 ASP A 37 -14.922 25.321 -12.107 1.00 0.00 O ATOM 551 OD2 ASP A 37 -15.839 26.952 -13.261 1.00 0.00 O ATOM 0 H ASP A 37 -15.034 22.547 -14.007 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.905 23.609 -11.977 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.041 24.547 -14.733 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.504 25.146 -13.977 1.00 0.00 H new ATOM 556 N ALA A 38 -19.003 22.725 -13.018 1.00 0.00 N ATOM 557 CA ALA A 38 -20.183 22.013 -13.492 1.00 0.00 C ATOM 558 C ALA A 38 -21.258 22.985 -13.965 1.00 0.00 C ATOM 559 O ALA A 38 -22.059 22.661 -14.842 1.00 0.00 O ATOM 560 CB ALA A 38 -20.730 21.110 -12.396 1.00 0.00 C ATOM 0 H ALA A 38 -19.165 23.311 -12.199 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.888 21.397 -14.342 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -21.611 20.584 -12.764 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -19.969 20.385 -12.108 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -21.002 21.713 -11.530 1.00 0.00 H new ATOM 566 N SER A 39 -21.271 24.178 -13.378 1.00 0.00 N ATOM 567 CA SER A 39 -22.251 25.196 -13.737 1.00 0.00 C ATOM 568 C SER A 39 -22.180 25.517 -15.226 1.00 0.00 C ATOM 569 O SER A 39 -23.143 26.010 -15.813 1.00 0.00 O ATOM 570 CB SER A 39 -22.021 26.467 -12.917 1.00 0.00 C ATOM 571 OG SER A 39 -22.732 26.420 -11.692 1.00 0.00 O ATOM 0 H SER A 39 -20.614 24.463 -12.652 1.00 0.00 H new ATOM 0 HA SER A 39 -23.244 24.804 -13.515 1.00 0.00 H new ATOM 0 HB2 SER A 39 -20.956 26.588 -12.718 1.00 0.00 H new ATOM 0 HB3 SER A 39 -22.338 27.337 -13.492 1.00 0.00 H new ATOM 0 HG SER A 39 -22.698 27.299 -11.260 1.00 0.00 H new ATOM 577 N ALA A 40 -21.031 25.235 -15.832 1.00 0.00 N ATOM 578 CA ALA A 40 -20.834 25.492 -17.253 1.00 0.00 C ATOM 579 C ALA A 40 -21.963 24.890 -18.082 1.00 0.00 C ATOM 580 O ALA A 40 -22.399 25.474 -19.074 1.00 0.00 O ATOM 581 CB ALA A 40 -19.491 24.940 -17.707 1.00 0.00 C ATOM 0 H ALA A 40 -20.223 24.829 -15.361 1.00 0.00 H new ATOM 0 HA ALA A 40 -20.842 26.571 -17.406 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -19.357 25.139 -18.770 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -18.691 25.421 -17.144 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.462 23.864 -17.532 1.00 0.00 H new ATOM 587 N THR A 41 -22.434 23.717 -17.670 1.00 0.00 N ATOM 588 CA THR A 41 -23.511 23.035 -18.375 1.00 0.00 C ATOM 589 C THR A 41 -24.660 22.698 -17.431 1.00 0.00 C ATOM 590 O THR A 41 -24.496 22.635 -16.213 1.00 0.00 O ATOM 591 CB THR A 41 -23.013 21.739 -19.043 1.00 0.00 C ATOM 592 OG1 THR A 41 -21.947 21.170 -18.274 1.00 0.00 O ATOM 593 CG2 THR A 41 -22.534 22.010 -20.461 1.00 0.00 C ATOM 0 H THR A 41 -22.086 23.220 -16.851 1.00 0.00 H new ATOM 0 HA THR A 41 -23.867 23.719 -19.146 1.00 0.00 H new ATOM 0 HB THR A 41 -23.845 21.036 -19.086 1.00 0.00 H new ATOM 0 HG1 THR A 41 -22.082 20.203 -18.193 1.00 0.00 H new ATOM 0 HG21 THR A 41 -22.187 21.080 -20.912 1.00 0.00 H new ATOM 0 HG22 THR A 41 -23.356 22.415 -21.051 1.00 0.00 H new ATOM 0 HG23 THR A 41 -21.715 22.729 -20.437 1.00 0.00 H new ATOM 601 N PRO A 42 -25.852 22.474 -18.004 1.00 0.00 N ATOM 602 CA PRO A 42 -27.051 22.138 -17.231 1.00 0.00 C ATOM 603 C PRO A 42 -26.974 20.744 -16.619 1.00 0.00 C ATOM 604 O PRO A 42 -27.344 20.543 -15.463 1.00 0.00 O ATOM 605 CB PRO A 42 -28.173 22.205 -18.271 1.00 0.00 C ATOM 606 CG PRO A 42 -27.499 21.944 -19.573 1.00 0.00 C ATOM 607 CD PRO A 42 -26.120 22.532 -19.451 1.00 0.00 C ATOM 0 HA PRO A 42 -27.194 22.811 -16.386 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -28.945 21.462 -18.069 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -28.660 23.180 -18.266 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -27.450 20.875 -19.780 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -28.048 22.403 -20.395 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -25.387 21.959 -20.019 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -26.085 23.555 -19.826 1.00 0.00 H new ATOM 615 N GLU A 43 -26.491 19.784 -17.402 1.00 0.00 N ATOM 616 CA GLU A 43 -26.367 18.408 -16.935 1.00 0.00 C ATOM 617 C GLU A 43 -25.380 18.315 -15.775 1.00 0.00 C ATOM 618 O GLU A 43 -25.691 17.752 -14.724 1.00 0.00 O ATOM 619 CB GLU A 43 -25.915 17.497 -18.078 1.00 0.00 C ATOM 620 CG GLU A 43 -26.022 16.016 -17.755 1.00 0.00 C ATOM 621 CD GLU A 43 -25.739 15.135 -18.956 1.00 0.00 C ATOM 622 OE1 GLU A 43 -26.579 15.103 -19.879 1.00 0.00 O ATOM 623 OE2 GLU A 43 -24.677 14.477 -18.972 1.00 0.00 O ATOM 0 H GLU A 43 -26.180 19.934 -18.362 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.346 18.080 -16.584 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -26.516 17.712 -18.962 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -24.881 17.731 -18.331 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -25.322 15.771 -16.956 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -27.022 15.801 -17.379 1.00 0.00 H new ATOM 630 N LEU A 44 -24.189 18.869 -15.974 1.00 0.00 N ATOM 631 CA LEU A 44 -23.154 18.848 -14.945 1.00 0.00 C ATOM 632 C LEU A 44 -23.634 19.546 -13.677 1.00 0.00 C ATOM 633 O LEU A 44 -23.195 19.221 -12.574 1.00 0.00 O ATOM 634 CB LEU A 44 -21.881 19.521 -15.461 1.00 0.00 C ATOM 635 CG LEU A 44 -20.964 18.652 -16.322 1.00 0.00 C ATOM 636 CD1 LEU A 44 -19.869 19.495 -16.955 1.00 0.00 C ATOM 637 CD2 LEU A 44 -20.362 17.527 -15.492 1.00 0.00 C ATOM 0 H LEU A 44 -23.916 19.338 -16.838 1.00 0.00 H new ATOM 0 HA LEU A 44 -22.935 17.808 -14.705 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.167 20.398 -16.042 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -21.310 19.878 -14.604 1.00 0.00 H new ATOM 0 HG LEU A 44 -21.559 18.209 -17.120 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -19.226 18.859 -17.564 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -20.319 20.264 -17.583 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -19.275 19.967 -16.172 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.712 16.919 -16.121 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -19.781 17.950 -14.672 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -21.161 16.906 -15.088 1.00 0.00 H new ATOM 649 N ARG A 45 -24.539 20.505 -13.841 1.00 0.00 N ATOM 650 CA ARG A 45 -25.079 21.248 -12.709 1.00 0.00 C ATOM 651 C ARG A 45 -26.243 20.496 -12.071 1.00 0.00 C ATOM 652 O ARG A 45 -26.538 20.677 -10.890 1.00 0.00 O ATOM 653 CB ARG A 45 -25.539 22.637 -13.156 1.00 0.00 C ATOM 654 CG ARG A 45 -25.966 23.536 -12.007 1.00 0.00 C ATOM 655 CD ARG A 45 -26.695 24.773 -12.509 1.00 0.00 C ATOM 656 NE ARG A 45 -25.783 25.892 -12.735 1.00 0.00 N ATOM 657 CZ ARG A 45 -26.171 27.074 -13.201 1.00 0.00 C ATOM 658 NH1 ARG A 45 -27.447 27.290 -13.488 1.00 0.00 N ATOM 659 NH2 ARG A 45 -25.282 28.042 -13.379 1.00 0.00 N ATOM 0 H ARG A 45 -24.914 20.786 -14.747 1.00 0.00 H new ATOM 0 HA ARG A 45 -24.288 21.356 -11.967 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -24.729 23.120 -13.703 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -26.372 22.529 -13.850 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -26.614 22.980 -11.330 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -25.089 23.837 -11.433 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -27.215 24.536 -13.437 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -27.455 25.065 -11.784 1.00 0.00 H new ATOM 0 HE ARG A 45 -24.794 25.758 -12.523 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -28.133 26.548 -13.351 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -27.743 28.198 -13.846 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -24.300 27.879 -13.158 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -25.581 28.949 -13.737 1.00 0.00 H new ATOM 673 N ALA A 46 -26.900 19.653 -12.860 1.00 0.00 N ATOM 674 CA ALA A 46 -28.030 18.872 -12.372 1.00 0.00 C ATOM 675 C ALA A 46 -27.579 17.830 -11.355 1.00 0.00 C ATOM 676 O ALA A 46 -28.090 17.779 -10.236 1.00 0.00 O ATOM 677 CB ALA A 46 -28.750 18.203 -13.533 1.00 0.00 C ATOM 0 H ALA A 46 -26.669 19.493 -13.841 1.00 0.00 H new ATOM 0 HA ALA A 46 -28.721 19.552 -11.874 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -29.591 17.623 -13.154 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -29.115 18.965 -14.222 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -28.060 17.541 -14.056 1.00 0.00 H new ATOM 683 N GLU A 47 -26.619 16.999 -11.751 1.00 0.00 N ATOM 684 CA GLU A 47 -26.101 15.957 -10.873 1.00 0.00 C ATOM 685 C GLU A 47 -25.521 16.559 -9.597 1.00 0.00 C ATOM 686 O GLU A 47 -25.584 15.953 -8.528 1.00 0.00 O ATOM 687 CB GLU A 47 -25.031 15.136 -11.596 1.00 0.00 C ATOM 688 CG GLU A 47 -23.954 15.984 -12.252 1.00 0.00 C ATOM 689 CD GLU A 47 -22.834 15.150 -12.843 1.00 0.00 C ATOM 690 OE1 GLU A 47 -23.138 14.170 -13.556 1.00 0.00 O ATOM 691 OE2 GLU A 47 -21.655 15.475 -12.592 1.00 0.00 O ATOM 0 H GLU A 47 -26.185 17.028 -12.674 1.00 0.00 H new ATOM 0 HA GLU A 47 -26.929 15.302 -10.601 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -24.563 14.457 -10.884 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -25.510 14.520 -12.357 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -24.403 16.591 -13.038 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -23.540 16.672 -11.515 1.00 0.00 H new ATOM 698 N MET A 48 -24.956 17.756 -9.718 1.00 0.00 N ATOM 699 CA MET A 48 -24.365 18.441 -8.575 1.00 0.00 C ATOM 700 C MET A 48 -25.425 18.760 -7.525 1.00 0.00 C ATOM 701 O MET A 48 -25.255 18.451 -6.346 1.00 0.00 O ATOM 702 CB MET A 48 -23.673 19.729 -9.026 1.00 0.00 C ATOM 703 CG MET A 48 -22.156 19.655 -8.970 1.00 0.00 C ATOM 704 SD MET A 48 -21.393 21.264 -8.684 1.00 0.00 S ATOM 705 CE MET A 48 -22.335 22.291 -9.808 1.00 0.00 C ATOM 0 H MET A 48 -24.895 18.271 -10.596 1.00 0.00 H new ATOM 0 HA MET A 48 -23.625 17.777 -8.129 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.980 19.959 -10.046 1.00 0.00 H new ATOM 0 HB3 MET A 48 -24.012 20.553 -8.398 1.00 0.00 H new ATOM 0 HG2 MET A 48 -21.858 18.970 -8.176 1.00 0.00 H new ATOM 0 HG3 MET A 48 -21.781 19.241 -9.906 1.00 0.00 H new ATOM 0 HE1 MET A 48 -21.712 23.114 -10.157 1.00 0.00 H new ATOM 0 HE2 MET A 48 -22.660 21.694 -10.660 1.00 0.00 H new ATOM 0 HE3 MET A 48 -23.208 22.690 -9.291 1.00 0.00 H new ATOM 715 N GLN A 49 -26.516 19.381 -7.962 1.00 0.00 N ATOM 716 CA GLN A 49 -27.602 19.742 -7.058 1.00 0.00 C ATOM 717 C GLN A 49 -28.464 18.528 -6.730 1.00 0.00 C ATOM 718 O GLN A 49 -29.236 18.545 -5.772 1.00 0.00 O ATOM 719 CB GLN A 49 -28.465 20.842 -7.678 1.00 0.00 C ATOM 720 CG GLN A 49 -29.659 20.313 -8.456 1.00 0.00 C ATOM 721 CD GLN A 49 -30.182 21.309 -9.472 1.00 0.00 C ATOM 722 OE1 GLN A 49 -30.474 20.953 -10.614 1.00 0.00 O ATOM 723 NE2 GLN A 49 -30.304 22.566 -9.061 1.00 0.00 N ATOM 0 H GLN A 49 -26.671 19.644 -8.935 1.00 0.00 H new ATOM 0 HA GLN A 49 -27.162 20.113 -6.132 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -28.821 21.502 -6.887 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -27.847 21.446 -8.343 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -29.376 19.393 -8.967 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -30.457 20.057 -7.759 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -30.050 22.817 -8.105 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -30.651 23.280 -9.701 1.00 0.00 H new ATOM 732 N GLU A 50 -28.326 17.476 -7.531 1.00 0.00 N ATOM 733 CA GLU A 50 -29.094 16.254 -7.325 1.00 0.00 C ATOM 734 C GLU A 50 -28.593 15.497 -6.098 1.00 0.00 C ATOM 735 O GLU A 50 -29.297 14.650 -5.548 1.00 0.00 O ATOM 736 CB GLU A 50 -29.008 15.356 -8.561 1.00 0.00 C ATOM 737 CG GLU A 50 -29.810 14.072 -8.438 1.00 0.00 C ATOM 738 CD GLU A 50 -29.746 13.222 -9.692 1.00 0.00 C ATOM 739 OE1 GLU A 50 -28.656 12.696 -9.999 1.00 0.00 O ATOM 740 OE2 GLU A 50 -30.788 13.082 -10.367 1.00 0.00 O ATOM 0 H GLU A 50 -27.690 17.446 -8.328 1.00 0.00 H new ATOM 0 HA GLU A 50 -30.134 16.533 -7.159 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -29.361 15.913 -9.429 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -27.963 15.106 -8.746 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -29.436 13.494 -7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -30.850 14.317 -8.222 1.00 0.00 H new ATOM 747 N ARG A 51 -27.372 15.809 -5.675 1.00 0.00 N ATOM 748 CA ARG A 51 -26.776 15.158 -4.515 1.00 0.00 C ATOM 749 C ARG A 51 -26.860 16.056 -3.284 1.00 0.00 C ATOM 750 O ARG A 51 -27.095 15.583 -2.173 1.00 0.00 O ATOM 751 CB ARG A 51 -25.317 14.799 -4.799 1.00 0.00 C ATOM 752 CG ARG A 51 -25.127 13.974 -6.061 1.00 0.00 C ATOM 753 CD ARG A 51 -23.676 13.977 -6.516 1.00 0.00 C ATOM 754 NE ARG A 51 -23.227 12.648 -6.923 1.00 0.00 N ATOM 755 CZ ARG A 51 -23.619 12.050 -8.042 1.00 0.00 C ATOM 756 NH1 ARG A 51 -24.463 12.660 -8.863 1.00 0.00 N ATOM 757 NH2 ARG A 51 -23.166 10.840 -8.343 1.00 0.00 N ATOM 0 H ARG A 51 -26.777 16.508 -6.118 1.00 0.00 H new ATOM 0 HA ARG A 51 -27.336 14.244 -4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -24.736 15.717 -4.885 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -24.916 14.246 -3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -25.450 12.949 -5.879 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -25.759 14.371 -6.855 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -23.559 14.670 -7.349 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -23.043 14.341 -5.707 1.00 0.00 H new ATOM 0 HE ARG A 51 -22.576 12.152 -6.314 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -24.813 13.591 -8.636 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -24.762 12.198 -9.722 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -22.516 10.368 -7.715 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -23.468 10.382 -9.203 1.00 0.00 H new ATOM 771 N SER A 52 -26.666 17.355 -3.492 1.00 0.00 N ATOM 772 CA SER A 52 -26.715 18.319 -2.399 1.00 0.00 C ATOM 773 C SER A 52 -28.158 18.664 -2.043 1.00 0.00 C ATOM 774 O SER A 52 -28.492 18.854 -0.874 1.00 0.00 O ATOM 775 CB SER A 52 -25.953 19.591 -2.779 1.00 0.00 C ATOM 776 OG SER A 52 -25.369 20.195 -1.638 1.00 0.00 O ATOM 0 H SER A 52 -26.474 17.763 -4.407 1.00 0.00 H new ATOM 0 HA SER A 52 -26.242 17.867 -1.527 1.00 0.00 H new ATOM 0 HB2 SER A 52 -25.176 19.350 -3.505 1.00 0.00 H new ATOM 0 HB3 SER A 52 -26.632 20.295 -3.260 1.00 0.00 H new ATOM 0 HG SER A 52 -24.393 20.147 -1.706 1.00 0.00 H new ATOM 782 N GLY A 53 -29.009 18.742 -3.061 1.00 0.00 N ATOM 783 CA GLY A 53 -30.406 19.064 -2.836 1.00 0.00 C ATOM 784 C GLY A 53 -30.656 20.558 -2.782 1.00 0.00 C ATOM 785 O GLY A 53 -31.803 21.001 -2.723 1.00 0.00 O ATOM 0 H GLY A 53 -28.756 18.588 -4.037 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -31.009 18.627 -3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -30.734 18.610 -1.901 1.00 0.00 H new ATOM 789 N ARG A 54 -29.579 21.337 -2.800 1.00 0.00 N ATOM 790 CA ARG A 54 -29.687 22.790 -2.749 1.00 0.00 C ATOM 791 C ARG A 54 -29.327 23.410 -4.096 1.00 0.00 C ATOM 792 O ARG A 54 -28.936 22.708 -5.028 1.00 0.00 O ATOM 793 CB ARG A 54 -28.774 23.353 -1.657 1.00 0.00 C ATOM 794 CG ARG A 54 -29.158 22.910 -0.255 1.00 0.00 C ATOM 795 CD ARG A 54 -28.259 23.544 0.795 1.00 0.00 C ATOM 796 NE ARG A 54 -28.872 23.534 2.120 1.00 0.00 N ATOM 797 CZ ARG A 54 -28.423 24.252 3.143 1.00 0.00 C ATOM 798 NH1 ARG A 54 -27.363 25.033 2.995 1.00 0.00 N ATOM 799 NH2 ARG A 54 -29.036 24.189 4.319 1.00 0.00 N ATOM 0 H ARG A 54 -28.622 20.986 -2.849 1.00 0.00 H new ATOM 0 HA ARG A 54 -30.721 23.044 -2.516 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -27.748 23.045 -1.858 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -28.795 24.442 -1.703 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -30.196 23.180 -0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -29.092 21.824 -0.184 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -27.310 23.008 0.831 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -28.035 24.571 0.507 1.00 0.00 H new ATOM 0 HE ARG A 54 -29.690 22.943 2.268 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -26.889 25.084 2.093 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -27.021 25.583 3.783 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -29.852 23.589 4.437 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -28.691 24.741 5.104 1.00 0.00 H new ATOM 813 N ASN A 55 -29.465 24.728 -4.191 1.00 0.00 N ATOM 814 CA ASN A 55 -29.156 25.442 -5.425 1.00 0.00 C ATOM 815 C ASN A 55 -27.828 24.969 -6.009 1.00 0.00 C ATOM 816 O ASN A 55 -27.798 24.256 -7.014 1.00 0.00 O ATOM 817 CB ASN A 55 -29.104 26.949 -5.167 1.00 0.00 C ATOM 818 CG ASN A 55 -30.384 27.474 -4.547 1.00 0.00 C ATOM 819 OD1 ASN A 55 -31.484 27.126 -4.978 1.00 0.00 O ATOM 820 ND2 ASN A 55 -30.247 28.318 -3.531 1.00 0.00 N ATOM 0 H ASN A 55 -29.789 25.324 -3.429 1.00 0.00 H new ATOM 0 HA ASN A 55 -29.946 25.230 -6.146 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -28.266 27.173 -4.508 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -28.919 27.469 -6.107 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -31.073 28.705 -3.075 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -29.316 28.579 -3.207 1.00 0.00 H new ATOM 827 N THR A 56 -26.732 25.369 -5.374 1.00 0.00 N ATOM 828 CA THR A 56 -25.401 24.987 -5.830 1.00 0.00 C ATOM 829 C THR A 56 -24.368 25.164 -4.723 1.00 0.00 C ATOM 830 O THR A 56 -24.333 26.196 -4.052 1.00 0.00 O ATOM 831 CB THR A 56 -24.969 25.812 -7.056 1.00 0.00 C ATOM 832 OG1 THR A 56 -25.733 27.022 -7.126 1.00 0.00 O ATOM 833 CG2 THR A 56 -25.154 25.015 -8.338 1.00 0.00 C ATOM 0 H THR A 56 -26.739 25.958 -4.541 1.00 0.00 H new ATOM 0 HA THR A 56 -25.453 23.935 -6.109 1.00 0.00 H new ATOM 0 HB THR A 56 -23.912 26.055 -6.948 1.00 0.00 H new ATOM 0 HG1 THR A 56 -25.451 27.542 -7.907 1.00 0.00 H new ATOM 0 HG21 THR A 56 -24.842 25.619 -9.190 1.00 0.00 H new ATOM 0 HG22 THR A 56 -24.549 24.110 -8.294 1.00 0.00 H new ATOM 0 HG23 THR A 56 -26.204 24.745 -8.450 1.00 0.00 H new ATOM 841 N PHE A 57 -23.528 24.151 -4.536 1.00 0.00 N ATOM 842 CA PHE A 57 -22.494 24.195 -3.509 1.00 0.00 C ATOM 843 C PHE A 57 -21.242 23.452 -3.966 1.00 0.00 C ATOM 844 O PHE A 57 -21.275 22.637 -4.888 1.00 0.00 O ATOM 845 CB PHE A 57 -23.014 23.587 -2.205 1.00 0.00 C ATOM 846 CG PHE A 57 -22.671 22.134 -2.041 1.00 0.00 C ATOM 847 CD1 PHE A 57 -23.057 21.206 -2.995 1.00 0.00 C ATOM 848 CD2 PHE A 57 -21.962 21.696 -0.935 1.00 0.00 C ATOM 849 CE1 PHE A 57 -22.743 19.869 -2.847 1.00 0.00 C ATOM 850 CE2 PHE A 57 -21.645 20.360 -0.781 1.00 0.00 C ATOM 851 CZ PHE A 57 -22.035 19.445 -1.739 1.00 0.00 C ATOM 0 H PHE A 57 -23.543 23.290 -5.082 1.00 0.00 H new ATOM 0 HA PHE A 57 -22.233 25.239 -3.336 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -22.603 24.146 -1.364 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -24.097 23.703 -2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -23.610 21.532 -3.864 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -21.653 22.407 -0.184 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -23.051 19.155 -3.597 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -21.093 20.032 0.087 1.00 0.00 H new ATOM 0 HZ PHE A 57 -21.787 18.400 -1.622 1.00 0.00 H new ATOM 861 N PRO A 58 -20.111 23.738 -3.305 1.00 0.00 N ATOM 862 CA PRO A 58 -18.826 23.108 -3.625 1.00 0.00 C ATOM 863 C PRO A 58 -18.792 21.633 -3.241 1.00 0.00 C ATOM 864 O PRO A 58 -18.982 21.282 -2.077 1.00 0.00 O ATOM 865 CB PRO A 58 -17.823 23.903 -2.785 1.00 0.00 C ATOM 866 CG PRO A 58 -18.621 24.439 -1.648 1.00 0.00 C ATOM 867 CD PRO A 58 -19.998 24.699 -2.195 1.00 0.00 C ATOM 0 HA PRO A 58 -18.617 23.128 -4.695 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.010 23.268 -2.433 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.371 24.707 -3.365 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.656 23.725 -0.825 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.177 25.354 -1.257 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -20.768 24.534 -1.441 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -20.106 25.727 -2.541 1.00 0.00 H new ATOM 875 N GLN A 59 -18.549 20.775 -4.227 1.00 0.00 N ATOM 876 CA GLN A 59 -18.491 19.338 -3.990 1.00 0.00 C ATOM 877 C GLN A 59 -17.046 18.863 -3.873 1.00 0.00 C ATOM 878 O GLN A 59 -16.208 19.183 -4.716 1.00 0.00 O ATOM 879 CB GLN A 59 -19.198 18.585 -5.119 1.00 0.00 C ATOM 880 CG GLN A 59 -20.593 18.107 -4.751 1.00 0.00 C ATOM 881 CD GLN A 59 -21.672 18.749 -5.601 1.00 0.00 C ATOM 882 OE1 GLN A 59 -22.516 18.061 -6.177 1.00 0.00 O ATOM 883 NE2 GLN A 59 -21.651 20.074 -5.683 1.00 0.00 N ATOM 0 H GLN A 59 -18.389 21.050 -5.196 1.00 0.00 H new ATOM 0 HA GLN A 59 -19.000 19.130 -3.049 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -19.264 19.234 -5.992 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -18.592 17.725 -5.406 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -20.643 17.024 -4.863 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -20.784 18.328 -3.701 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -20.933 20.604 -5.189 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -22.353 20.562 -6.240 1.00 0.00 H new ATOM 892 N ILE A 60 -16.763 18.099 -2.824 1.00 0.00 N ATOM 893 CA ILE A 60 -15.420 17.580 -2.597 1.00 0.00 C ATOM 894 C ILE A 60 -15.392 16.060 -2.707 1.00 0.00 C ATOM 895 O ILE A 60 -15.789 15.353 -1.780 1.00 0.00 O ATOM 896 CB ILE A 60 -14.882 17.994 -1.215 1.00 0.00 C ATOM 897 CG1 ILE A 60 -14.506 19.477 -1.213 1.00 0.00 C ATOM 898 CG2 ILE A 60 -13.683 17.138 -0.834 1.00 0.00 C ATOM 899 CD1 ILE A 60 -15.701 20.404 -1.191 1.00 0.00 C ATOM 0 H ILE A 60 -17.446 17.825 -2.117 1.00 0.00 H new ATOM 0 HA ILE A 60 -14.782 18.009 -3.369 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.666 17.836 -0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.880 19.684 -0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -13.906 19.692 -2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.315 17.443 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -13.980 16.090 -0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -12.894 17.267 -1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -15.359 21.439 -1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -16.316 20.225 -2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -16.290 20.217 -0.293 1.00 0.00 H new ATOM 911 N PHE A 61 -14.919 15.562 -3.844 1.00 0.00 N ATOM 912 CA PHE A 61 -14.838 14.125 -4.075 1.00 0.00 C ATOM 913 C PHE A 61 -13.456 13.592 -3.706 1.00 0.00 C ATOM 914 O PHE A 61 -12.461 13.917 -4.354 1.00 0.00 O ATOM 915 CB PHE A 61 -15.147 13.804 -5.539 1.00 0.00 C ATOM 916 CG PHE A 61 -16.396 14.464 -6.047 1.00 0.00 C ATOM 917 CD1 PHE A 61 -17.582 14.372 -5.336 1.00 0.00 C ATOM 918 CD2 PHE A 61 -16.385 15.178 -7.234 1.00 0.00 C ATOM 919 CE1 PHE A 61 -18.734 14.978 -5.802 1.00 0.00 C ATOM 920 CE2 PHE A 61 -17.533 15.786 -7.705 1.00 0.00 C ATOM 921 CZ PHE A 61 -18.709 15.687 -6.987 1.00 0.00 C ATOM 0 H PHE A 61 -14.586 16.133 -4.621 1.00 0.00 H new ATOM 0 HA PHE A 61 -15.578 13.638 -3.440 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -14.304 14.115 -6.156 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -15.244 12.724 -5.653 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -17.607 13.821 -4.408 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -15.468 15.260 -7.798 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -19.653 14.897 -5.240 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -17.511 16.338 -8.633 1.00 0.00 H new ATOM 0 HZ PHE A 61 -19.607 16.163 -7.352 1.00 0.00 H new ATOM 931 N ILE A 62 -13.405 12.772 -2.662 1.00 0.00 N ATOM 932 CA ILE A 62 -12.147 12.193 -2.207 1.00 0.00 C ATOM 933 C ILE A 62 -12.140 10.679 -2.390 1.00 0.00 C ATOM 934 O ILE A 62 -12.916 9.964 -1.759 1.00 0.00 O ATOM 935 CB ILE A 62 -11.879 12.522 -0.726 1.00 0.00 C ATOM 936 CG1 ILE A 62 -11.724 14.032 -0.536 1.00 0.00 C ATOM 937 CG2 ILE A 62 -10.637 11.791 -0.238 1.00 0.00 C ATOM 938 CD1 ILE A 62 -11.439 14.435 0.894 1.00 0.00 C ATOM 0 H ILE A 62 -14.220 12.494 -2.115 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.358 12.633 -2.817 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.731 12.186 -0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.915 14.389 -1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.636 14.528 -0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.460 12.033 0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.783 10.716 -0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.776 12.099 -0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.341 15.519 0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.259 14.109 1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.512 13.968 1.226 1.00 0.00 H new ATOM 950 N GLY A 63 -11.255 10.197 -3.258 1.00 0.00 N ATOM 951 CA GLY A 63 -11.162 8.771 -3.507 1.00 0.00 C ATOM 952 C GLY A 63 -12.417 8.211 -4.146 1.00 0.00 C ATOM 953 O GLY A 63 -12.687 8.458 -5.322 1.00 0.00 O ATOM 0 H GLY A 63 -10.601 10.769 -3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.309 8.573 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.974 8.253 -2.567 1.00 0.00 H new ATOM 957 N SER A 64 -13.187 7.452 -3.372 1.00 0.00 N ATOM 958 CA SER A 64 -14.417 6.851 -3.871 1.00 0.00 C ATOM 959 C SER A 64 -15.620 7.318 -3.057 1.00 0.00 C ATOM 960 O SER A 64 -16.715 6.768 -3.174 1.00 0.00 O ATOM 961 CB SER A 64 -14.319 5.325 -3.827 1.00 0.00 C ATOM 962 OG SER A 64 -13.685 4.821 -4.990 1.00 0.00 O ATOM 0 H SER A 64 -12.980 7.239 -2.396 1.00 0.00 H new ATOM 0 HA SER A 64 -14.554 7.170 -4.904 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.760 5.019 -2.943 1.00 0.00 H new ATOM 0 HB3 SER A 64 -15.317 4.896 -3.738 1.00 0.00 H new ATOM 0 HG SER A 64 -13.633 3.844 -4.937 1.00 0.00 H new ATOM 968 N VAL A 65 -15.407 8.336 -2.230 1.00 0.00 N ATOM 969 CA VAL A 65 -16.472 8.879 -1.395 1.00 0.00 C ATOM 970 C VAL A 65 -16.667 10.369 -1.653 1.00 0.00 C ATOM 971 O VAL A 65 -15.728 11.073 -2.027 1.00 0.00 O ATOM 972 CB VAL A 65 -16.180 8.662 0.101 1.00 0.00 C ATOM 973 CG1 VAL A 65 -17.393 9.030 0.942 1.00 0.00 C ATOM 974 CG2 VAL A 65 -15.760 7.222 0.357 1.00 0.00 C ATOM 0 H VAL A 65 -14.506 8.802 -2.120 1.00 0.00 H new ATOM 0 HA VAL A 65 -17.384 8.345 -1.660 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.357 9.315 0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -17.167 8.870 1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -17.644 10.078 0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -18.239 8.406 0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -15.557 7.085 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -16.561 6.549 0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -14.860 6.998 -0.216 1.00 0.00 H new ATOM 984 N HIS A 66 -17.891 10.845 -1.449 1.00 0.00 N ATOM 985 CA HIS A 66 -18.209 12.253 -1.657 1.00 0.00 C ATOM 986 C HIS A 66 -18.261 13.001 -0.328 1.00 0.00 C ATOM 987 O HIS A 66 -19.261 12.944 0.389 1.00 0.00 O ATOM 988 CB HIS A 66 -19.544 12.394 -2.388 1.00 0.00 C ATOM 989 CG HIS A 66 -20.011 13.811 -2.514 1.00 0.00 C ATOM 990 ND1 HIS A 66 -21.328 14.152 -2.740 1.00 0.00 N ATOM 991 CD2 HIS A 66 -19.329 14.978 -2.444 1.00 0.00 C ATOM 992 CE1 HIS A 66 -21.435 15.467 -2.805 1.00 0.00 C ATOM 993 NE2 HIS A 66 -20.236 15.992 -2.628 1.00 0.00 N ATOM 0 H HIS A 66 -18.679 10.276 -1.140 1.00 0.00 H new ATOM 0 HA HIS A 66 -17.421 12.691 -2.269 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -19.451 11.961 -3.384 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -20.302 11.816 -1.859 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -22.099 13.492 -2.841 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -18.268 15.091 -2.275 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -22.348 16.019 -2.974 1.00 0.00 H new ATOM 1001 N VAL A 67 -17.179 13.701 -0.005 1.00 0.00 N ATOM 1002 CA VAL A 67 -17.102 14.460 1.238 1.00 0.00 C ATOM 1003 C VAL A 67 -18.290 15.404 1.380 1.00 0.00 C ATOM 1004 O VAL A 67 -19.233 15.125 2.119 1.00 0.00 O ATOM 1005 CB VAL A 67 -15.799 15.277 1.316 1.00 0.00 C ATOM 1006 CG1 VAL A 67 -15.801 16.169 2.548 1.00 0.00 C ATOM 1007 CG2 VAL A 67 -14.590 14.353 1.319 1.00 0.00 C ATOM 0 H VAL A 67 -16.343 13.759 -0.587 1.00 0.00 H new ATOM 0 HA VAL A 67 -17.118 13.736 2.053 1.00 0.00 H new ATOM 0 HB VAL A 67 -15.738 15.915 0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -14.872 16.739 2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -16.646 16.856 2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -15.886 15.553 3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.678 14.947 1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.643 13.688 2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.582 13.761 0.404 1.00 0.00 H new ATOM 1017 N GLY A 68 -18.238 16.523 0.664 1.00 0.00 N ATOM 1018 CA GLY A 68 -19.317 17.492 0.724 1.00 0.00 C ATOM 1019 C GLY A 68 -18.881 18.874 0.280 1.00 0.00 C ATOM 1020 O GLY A 68 -18.472 19.066 -0.865 1.00 0.00 O ATOM 0 H GLY A 68 -17.469 16.776 0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -20.140 17.154 0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -19.697 17.545 1.744 1.00 0.00 H new ATOM 1024 N GLY A 69 -18.969 19.842 1.187 1.00 0.00 N ATOM 1025 CA GLY A 69 -18.578 21.201 0.863 1.00 0.00 C ATOM 1026 C GLY A 69 -17.798 21.863 1.982 1.00 0.00 C ATOM 1027 O GLY A 69 -17.191 21.184 2.810 1.00 0.00 O ATOM 0 H GLY A 69 -19.304 19.709 2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.973 21.195 -0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -19.469 21.790 0.647 1.00 0.00 H new ATOM 1031 N CYS A 70 -17.814 23.191 2.006 1.00 0.00 N ATOM 1032 CA CYS A 70 -17.100 23.945 3.030 1.00 0.00 C ATOM 1033 C CYS A 70 -17.467 23.450 4.425 1.00 0.00 C ATOM 1034 O CYS A 70 -16.603 23.298 5.289 1.00 0.00 O ATOM 1035 CB CYS A 70 -17.413 25.437 2.906 1.00 0.00 C ATOM 1036 SG CYS A 70 -16.701 26.453 4.221 1.00 0.00 S ATOM 0 H CYS A 70 -18.313 23.767 1.329 1.00 0.00 H new ATOM 0 HA CYS A 70 -16.031 23.792 2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -17.045 25.796 1.945 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -18.495 25.571 2.903 1.00 0.00 H new ATOM 0 HG CYS A 70 -15.595 25.912 4.637 1.00 0.00 H new ATOM 1042 N ASP A 71 -18.755 23.202 4.639 1.00 0.00 N ATOM 1043 CA ASP A 71 -19.237 22.724 5.930 1.00 0.00 C ATOM 1044 C ASP A 71 -18.565 21.409 6.309 1.00 0.00 C ATOM 1045 O ASP A 71 -18.063 21.255 7.422 1.00 0.00 O ATOM 1046 CB ASP A 71 -20.756 22.543 5.895 1.00 0.00 C ATOM 1047 CG ASP A 71 -21.336 22.259 7.266 1.00 0.00 C ATOM 1048 OD1 ASP A 71 -20.876 21.298 7.917 1.00 0.00 O ATOM 1049 OD2 ASP A 71 -22.251 22.997 7.688 1.00 0.00 O ATOM 0 H ASP A 71 -19.483 23.324 3.936 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.984 23.470 6.683 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.217 23.443 5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -21.006 21.724 5.221 1.00 0.00 H new ATOM 1054 N ASP A 72 -18.559 20.463 5.376 1.00 0.00 N ATOM 1055 CA ASP A 72 -17.947 19.160 5.611 1.00 0.00 C ATOM 1056 C ASP A 72 -16.446 19.298 5.842 1.00 0.00 C ATOM 1057 O ASP A 72 -15.910 18.799 6.833 1.00 0.00 O ATOM 1058 CB ASP A 72 -18.211 18.228 4.428 1.00 0.00 C ATOM 1059 CG ASP A 72 -19.681 17.889 4.274 1.00 0.00 C ATOM 1060 OD1 ASP A 72 -20.452 18.773 3.845 1.00 0.00 O ATOM 1061 OD2 ASP A 72 -20.060 16.740 4.582 1.00 0.00 O ATOM 0 H ASP A 72 -18.971 20.574 4.450 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.396 18.732 6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -17.852 18.697 3.512 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -17.641 17.308 4.560 1.00 0.00 H new ATOM 1066 N LEU A 73 -15.771 19.976 4.920 1.00 0.00 N ATOM 1067 CA LEU A 73 -14.330 20.179 5.022 1.00 0.00 C ATOM 1068 C LEU A 73 -13.968 20.872 6.332 1.00 0.00 C ATOM 1069 O LEU A 73 -12.960 20.548 6.959 1.00 0.00 O ATOM 1070 CB LEU A 73 -13.827 21.007 3.838 1.00 0.00 C ATOM 1071 CG LEU A 73 -12.388 20.739 3.395 1.00 0.00 C ATOM 1072 CD1 LEU A 73 -12.239 19.308 2.903 1.00 0.00 C ATOM 1073 CD2 LEU A 73 -11.972 21.723 2.311 1.00 0.00 C ATOM 0 H LEU A 73 -16.198 20.394 4.094 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.848 19.201 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -14.487 20.828 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.916 22.063 4.094 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.732 20.876 4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.209 19.136 2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.496 18.618 3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.906 19.143 2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.945 21.518 2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.633 21.617 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.040 22.740 2.697 1.00 0.00 H new ATOM 1085 N TYR A 74 -14.799 21.825 6.739 1.00 0.00 N ATOM 1086 CA TYR A 74 -14.567 22.564 7.975 1.00 0.00 C ATOM 1087 C TYR A 74 -14.824 21.683 9.193 1.00 0.00 C ATOM 1088 O TYR A 74 -14.161 21.816 10.221 1.00 0.00 O ATOM 1089 CB TYR A 74 -15.463 23.803 8.029 1.00 0.00 C ATOM 1090 CG TYR A 74 -14.865 25.012 7.346 1.00 0.00 C ATOM 1091 CD1 TYR A 74 -14.122 24.880 6.180 1.00 0.00 C ATOM 1092 CD2 TYR A 74 -15.043 26.288 7.868 1.00 0.00 C ATOM 1093 CE1 TYR A 74 -13.573 25.982 5.553 1.00 0.00 C ATOM 1094 CE2 TYR A 74 -14.500 27.396 7.247 1.00 0.00 C ATOM 1095 CZ TYR A 74 -13.765 27.238 6.091 1.00 0.00 C ATOM 1096 OH TYR A 74 -13.221 28.339 5.470 1.00 0.00 O ATOM 0 H TYR A 74 -15.639 22.104 6.232 1.00 0.00 H new ATOM 0 HA TYR A 74 -13.523 22.878 7.990 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -16.420 23.569 7.563 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -15.667 24.049 9.071 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -13.971 23.898 5.756 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -15.616 26.415 8.775 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.997 25.861 4.647 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -14.650 28.381 7.665 1.00 0.00 H new ATOM 0 HH TYR A 74 -13.450 29.146 5.976 1.00 0.00 H new ATOM 1106 N ALA A 75 -15.793 20.781 9.069 1.00 0.00 N ATOM 1107 CA ALA A 75 -16.138 19.875 10.158 1.00 0.00 C ATOM 1108 C ALA A 75 -15.089 18.780 10.313 1.00 0.00 C ATOM 1109 O ALA A 75 -14.864 18.272 11.412 1.00 0.00 O ATOM 1110 CB ALA A 75 -17.511 19.265 9.921 1.00 0.00 C ATOM 0 H ALA A 75 -16.353 20.658 8.225 1.00 0.00 H new ATOM 0 HA ALA A 75 -16.164 20.450 11.083 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.756 18.591 10.742 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.257 20.058 9.868 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -17.505 18.709 8.984 1.00 0.00 H new ATOM 1116 N LEU A 76 -14.449 18.418 9.206 1.00 0.00 N ATOM 1117 CA LEU A 76 -13.424 17.381 9.219 1.00 0.00 C ATOM 1118 C LEU A 76 -12.101 17.929 9.745 1.00 0.00 C ATOM 1119 O LEU A 76 -11.483 17.339 10.630 1.00 0.00 O ATOM 1120 CB LEU A 76 -13.229 16.811 7.813 1.00 0.00 C ATOM 1121 CG LEU A 76 -14.190 15.695 7.402 1.00 0.00 C ATOM 1122 CD1 LEU A 76 -13.570 14.332 7.668 1.00 0.00 C ATOM 1123 CD2 LEU A 76 -15.514 15.833 8.138 1.00 0.00 C ATOM 0 H LEU A 76 -14.622 18.828 8.288 1.00 0.00 H new ATOM 0 HA LEU A 76 -13.757 16.585 9.885 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -13.323 17.626 7.096 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.210 16.433 7.734 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.381 15.782 6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -14.268 13.550 7.369 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -12.648 14.234 7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -13.349 14.234 8.731 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -16.185 15.030 7.833 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -15.341 15.773 9.212 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -15.966 16.795 7.897 1.00 0.00 H new ATOM 1135 N GLU A 77 -11.675 19.062 9.196 1.00 0.00 N ATOM 1136 CA GLU A 77 -10.427 19.690 9.612 1.00 0.00 C ATOM 1137 C GLU A 77 -10.422 19.947 11.116 1.00 0.00 C ATOM 1138 O GLU A 77 -9.369 19.942 11.754 1.00 0.00 O ATOM 1139 CB GLU A 77 -10.216 21.005 8.858 1.00 0.00 C ATOM 1140 CG GLU A 77 -10.987 22.175 9.447 1.00 0.00 C ATOM 1141 CD GLU A 77 -10.204 22.909 10.518 1.00 0.00 C ATOM 1142 OE1 GLU A 77 -8.979 23.081 10.347 1.00 0.00 O ATOM 1143 OE2 GLU A 77 -10.817 23.313 11.529 1.00 0.00 O ATOM 0 H GLU A 77 -12.176 19.563 8.462 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.610 19.008 9.375 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.153 21.246 8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.515 20.870 7.819 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.247 22.872 8.650 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.923 21.812 9.871 1.00 0.00 H new ATOM 1150 N ASP A 78 -11.606 20.172 11.676 1.00 0.00 N ATOM 1151 CA ASP A 78 -11.739 20.430 13.105 1.00 0.00 C ATOM 1152 C ASP A 78 -11.303 19.216 13.920 1.00 0.00 C ATOM 1153 O ASP A 78 -10.859 19.350 15.059 1.00 0.00 O ATOM 1154 CB ASP A 78 -13.185 20.796 13.446 1.00 0.00 C ATOM 1155 CG ASP A 78 -13.282 21.706 14.655 1.00 0.00 C ATOM 1156 OD1 ASP A 78 -12.926 22.897 14.531 1.00 0.00 O ATOM 1157 OD2 ASP A 78 -13.714 21.227 15.724 1.00 0.00 O ATOM 0 H ASP A 78 -12.487 20.181 11.162 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.090 21.268 13.360 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.645 21.286 12.588 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.753 19.885 13.634 1.00 0.00 H new ATOM 1162 N GLU A 79 -11.434 18.034 13.327 1.00 0.00 N ATOM 1163 CA GLU A 79 -11.054 16.797 13.999 1.00 0.00 C ATOM 1164 C GLU A 79 -9.670 16.336 13.551 1.00 0.00 C ATOM 1165 O GLU A 79 -9.009 15.559 14.239 1.00 0.00 O ATOM 1166 CB GLU A 79 -12.084 15.700 13.717 1.00 0.00 C ATOM 1167 CG GLU A 79 -13.523 16.169 13.851 1.00 0.00 C ATOM 1168 CD GLU A 79 -14.456 15.064 14.307 1.00 0.00 C ATOM 1169 OE1 GLU A 79 -14.229 14.509 15.402 1.00 0.00 O ATOM 1170 OE2 GLU A 79 -15.415 14.755 13.568 1.00 0.00 O ATOM 0 H GLU A 79 -11.800 17.907 12.383 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.024 16.992 15.071 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.928 15.317 12.709 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.916 14.870 14.403 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.568 16.994 14.562 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.866 16.556 12.892 1.00 0.00 H new ATOM 1177 N GLY A 80 -9.238 16.822 12.391 1.00 0.00 N ATOM 1178 CA GLY A 80 -7.935 16.450 11.871 1.00 0.00 C ATOM 1179 C GLY A 80 -7.936 15.073 11.237 1.00 0.00 C ATOM 1180 O GLY A 80 -6.893 14.427 11.136 1.00 0.00 O ATOM 0 H GLY A 80 -9.767 17.466 11.803 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.618 17.186 11.133 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.204 16.474 12.679 1.00 0.00 H new ATOM 1184 N LYS A 81 -9.111 14.620 10.811 1.00 0.00 N ATOM 1185 CA LYS A 81 -9.245 13.310 10.185 1.00 0.00 C ATOM 1186 C LYS A 81 -9.125 13.417 8.668 1.00 0.00 C ATOM 1187 O LYS A 81 -8.799 12.442 7.990 1.00 0.00 O ATOM 1188 CB LYS A 81 -10.588 12.679 10.558 1.00 0.00 C ATOM 1189 CG LYS A 81 -10.831 12.606 12.055 1.00 0.00 C ATOM 1190 CD LYS A 81 -10.047 11.471 12.693 1.00 0.00 C ATOM 1191 CE LYS A 81 -8.697 11.946 13.207 1.00 0.00 C ATOM 1192 NZ LYS A 81 -7.680 10.859 13.180 1.00 0.00 N ATOM 0 H LYS A 81 -9.984 15.141 10.888 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.438 12.675 10.552 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.391 13.254 10.096 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.635 11.673 10.141 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.546 13.551 12.517 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.895 12.466 12.245 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.622 11.048 13.516 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.900 10.674 11.964 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.351 12.782 12.600 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.806 12.316 14.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.774 11.223 13.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.998 10.071 13.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.557 10.523 12.204 1.00 0.00 H new ATOM 1206 N LEU A 82 -9.388 14.608 8.142 1.00 0.00 N ATOM 1207 CA LEU A 82 -9.308 14.844 6.704 1.00 0.00 C ATOM 1208 C LEU A 82 -7.967 14.375 6.149 1.00 0.00 C ATOM 1209 O LEU A 82 -7.894 13.838 5.044 1.00 0.00 O ATOM 1210 CB LEU A 82 -9.508 16.329 6.399 1.00 0.00 C ATOM 1211 CG LEU A 82 -9.685 16.693 4.924 1.00 0.00 C ATOM 1212 CD1 LEU A 82 -10.871 15.950 4.329 1.00 0.00 C ATOM 1213 CD2 LEU A 82 -9.860 18.196 4.763 1.00 0.00 C ATOM 0 H LEU A 82 -9.658 15.425 8.689 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.100 14.271 6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.384 16.677 6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.650 16.878 6.788 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.787 16.392 4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.981 16.222 3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.705 14.876 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.778 16.219 4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.985 18.437 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.741 18.521 5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.979 18.708 5.151 1.00 0.00 H new ATOM 1225 N ASP A 83 -6.908 14.580 6.925 1.00 0.00 N ATOM 1226 CA ASP A 83 -5.569 14.175 6.513 1.00 0.00 C ATOM 1227 C ASP A 83 -5.550 12.711 6.086 1.00 0.00 C ATOM 1228 O ASP A 83 -4.889 12.346 5.114 1.00 0.00 O ATOM 1229 CB ASP A 83 -4.572 14.400 7.651 1.00 0.00 C ATOM 1230 CG ASP A 83 -4.046 15.822 7.687 1.00 0.00 C ATOM 1231 OD1 ASP A 83 -3.598 16.315 6.631 1.00 0.00 O ATOM 1232 OD2 ASP A 83 -4.081 16.440 8.772 1.00 0.00 O ATOM 0 H ASP A 83 -6.951 15.024 7.842 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.279 14.787 5.659 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.052 14.169 8.602 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -3.736 13.709 7.540 1.00 0.00 H new ATOM 1237 N SER A 84 -6.281 11.877 6.819 1.00 0.00 N ATOM 1238 CA SER A 84 -6.345 10.451 6.520 1.00 0.00 C ATOM 1239 C SER A 84 -7.332 10.177 5.390 1.00 0.00 C ATOM 1240 O SER A 84 -7.207 9.189 4.665 1.00 0.00 O ATOM 1241 CB SER A 84 -6.749 9.664 7.768 1.00 0.00 C ATOM 1242 OG SER A 84 -5.642 9.476 8.633 1.00 0.00 O ATOM 0 H SER A 84 -6.837 12.164 7.624 1.00 0.00 H new ATOM 0 HA SER A 84 -5.355 10.127 6.200 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.541 10.195 8.296 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.155 8.695 7.476 1.00 0.00 H new ATOM 0 HG SER A 84 -5.927 8.972 9.424 1.00 0.00 H new ATOM 1248 N LEU A 85 -8.315 11.059 5.245 1.00 0.00 N ATOM 1249 CA LEU A 85 -9.326 10.914 4.203 1.00 0.00 C ATOM 1250 C LEU A 85 -8.717 11.122 2.821 1.00 0.00 C ATOM 1251 O LEU A 85 -9.076 10.436 1.863 1.00 0.00 O ATOM 1252 CB LEU A 85 -10.464 11.911 4.427 1.00 0.00 C ATOM 1253 CG LEU A 85 -11.624 11.423 5.296 1.00 0.00 C ATOM 1254 CD1 LEU A 85 -12.277 10.197 4.675 1.00 0.00 C ATOM 1255 CD2 LEU A 85 -11.142 11.115 6.706 1.00 0.00 C ATOM 0 H LEU A 85 -8.434 11.882 5.836 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.724 9.900 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.048 12.810 4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.862 12.202 3.455 1.00 0.00 H new ATOM 0 HG LEU A 85 -12.369 12.217 5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -13.100 9.864 5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.658 10.450 3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.541 9.398 4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.981 10.769 7.310 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.378 10.339 6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.721 12.016 7.152 1.00 0.00 H new ATOM 1267 N LEU A 86 -7.793 12.071 2.724 1.00 0.00 N ATOM 1268 CA LEU A 86 -7.131 12.369 1.458 1.00 0.00 C ATOM 1269 C LEU A 86 -5.975 11.406 1.209 1.00 0.00 C ATOM 1270 O LEU A 86 -5.568 11.190 0.067 1.00 0.00 O ATOM 1271 CB LEU A 86 -6.619 13.810 1.455 1.00 0.00 C ATOM 1272 CG LEU A 86 -5.649 14.181 2.577 1.00 0.00 C ATOM 1273 CD1 LEU A 86 -4.216 13.878 2.167 1.00 0.00 C ATOM 1274 CD2 LEU A 86 -5.800 15.649 2.950 1.00 0.00 C ATOM 0 H LEU A 86 -7.485 12.648 3.507 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.860 12.247 0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.127 13.998 0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.478 14.479 1.508 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.890 13.578 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.540 14.149 2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.116 12.814 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.963 14.454 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.102 15.895 3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.587 16.269 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.819 15.836 3.288 1.00 0.00 H new ATOM 1286 N LYS A 87 -5.452 10.826 2.284 1.00 0.00 N ATOM 1287 CA LYS A 87 -4.345 9.883 2.183 1.00 0.00 C ATOM 1288 C LYS A 87 -4.840 8.508 1.744 1.00 0.00 C ATOM 1289 O LYS A 87 -4.280 7.895 0.835 1.00 0.00 O ATOM 1290 CB LYS A 87 -3.619 9.771 3.525 1.00 0.00 C ATOM 1291 CG LYS A 87 -2.155 9.387 3.395 1.00 0.00 C ATOM 1292 CD LYS A 87 -1.320 9.986 4.514 1.00 0.00 C ATOM 1293 CE LYS A 87 -0.813 11.373 4.151 1.00 0.00 C ATOM 1294 NZ LYS A 87 0.161 11.887 5.153 1.00 0.00 N ATOM 0 H LYS A 87 -5.778 10.993 3.236 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.650 10.257 1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.691 10.725 4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.127 9.030 4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.060 8.301 3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.773 9.727 2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.917 10.043 5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.474 9.333 4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.341 11.342 3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.656 12.060 4.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.483 12.834 4.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.296 11.941 6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.978 11.245 5.204 1.00 0.00 H new ATOM 1308 N THR A 88 -5.895 8.029 2.396 1.00 0.00 N ATOM 1309 CA THR A 88 -6.466 6.727 2.073 1.00 0.00 C ATOM 1310 C THR A 88 -7.532 6.848 0.989 1.00 0.00 C ATOM 1311 O THR A 88 -7.630 5.998 0.105 1.00 0.00 O ATOM 1312 CB THR A 88 -7.088 6.063 3.316 1.00 0.00 C ATOM 1313 OG1 THR A 88 -8.312 6.720 3.663 1.00 0.00 O ATOM 1314 CG2 THR A 88 -6.127 6.114 4.494 1.00 0.00 C ATOM 0 H THR A 88 -6.371 8.523 3.151 1.00 0.00 H new ATOM 0 HA THR A 88 -5.649 6.105 1.708 1.00 0.00 H new ATOM 0 HB THR A 88 -7.292 5.019 3.079 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.114 7.605 4.034 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.588 5.639 5.360 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.208 5.587 4.237 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.895 7.153 4.730 1.00 0.00 H new ATOM 1322 N GLY A 89 -8.328 7.910 1.064 1.00 0.00 N ATOM 1323 CA GLY A 89 -9.375 8.122 0.082 1.00 0.00 C ATOM 1324 C GLY A 89 -10.667 7.422 0.453 1.00 0.00 C ATOM 1325 O GLY A 89 -11.543 7.231 -0.391 1.00 0.00 O ATOM 0 H GLY A 89 -8.267 8.627 1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.561 9.191 -0.021 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.036 7.762 -0.889 1.00 0.00 H new ATOM 1329 N LYS A 90 -10.787 7.036 1.718 1.00 0.00 N ATOM 1330 CA LYS A 90 -11.981 6.352 2.200 1.00 0.00 C ATOM 1331 C LYS A 90 -12.391 6.874 3.573 1.00 0.00 C ATOM 1332 O LYS A 90 -11.564 7.397 4.322 1.00 0.00 O ATOM 1333 CB LYS A 90 -11.737 4.842 2.269 1.00 0.00 C ATOM 1334 CG LYS A 90 -11.481 4.205 0.914 1.00 0.00 C ATOM 1335 CD LYS A 90 -10.002 4.214 0.565 1.00 0.00 C ATOM 1336 CE LYS A 90 -9.630 3.029 -0.314 1.00 0.00 C ATOM 1337 NZ LYS A 90 -8.491 3.346 -1.220 1.00 0.00 N ATOM 0 H LYS A 90 -10.071 7.185 2.429 1.00 0.00 H new ATOM 0 HA LYS A 90 -12.791 6.552 1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.883 4.650 2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.602 4.363 2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.849 3.179 0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.040 4.741 0.147 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.754 5.142 0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.411 4.189 1.480 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.368 2.178 0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.494 2.732 -0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.835 3.418 -2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.063 4.251 -0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.778 2.591 -1.158 1.00 0.00 H new ATOM 1351 N LEU A 91 -13.670 6.728 3.899 1.00 0.00 N ATOM 1352 CA LEU A 91 -14.189 7.184 5.184 1.00 0.00 C ATOM 1353 C LEU A 91 -14.445 6.005 6.117 1.00 0.00 C ATOM 1354 O LEU A 91 -15.256 5.129 5.818 1.00 0.00 O ATOM 1355 CB LEU A 91 -15.481 7.979 4.982 1.00 0.00 C ATOM 1356 CG LEU A 91 -16.360 8.157 6.220 1.00 0.00 C ATOM 1357 CD1 LEU A 91 -15.644 8.993 7.269 1.00 0.00 C ATOM 1358 CD2 LEU A 91 -17.689 8.795 5.843 1.00 0.00 C ATOM 0 H LEU A 91 -14.367 6.297 3.292 1.00 0.00 H new ATOM 0 HA LEU A 91 -13.440 7.830 5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -15.221 8.966 4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -16.071 7.485 4.210 1.00 0.00 H new ATOM 0 HG LEU A 91 -16.559 7.173 6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -16.286 9.108 8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -14.719 8.496 7.561 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -15.413 9.975 6.856 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -18.302 8.914 6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -17.509 9.772 5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -18.209 8.157 5.129 1.00 0.00 H new ATOM 1370 N ILE A 92 -13.751 5.992 7.250 1.00 0.00 N ATOM 1371 CA ILE A 92 -13.906 4.923 8.228 1.00 0.00 C ATOM 1372 C ILE A 92 -13.763 3.553 7.573 1.00 0.00 C ATOM 1373 O ILE A 92 -14.755 2.921 7.209 1.00 0.00 O ATOM 1374 CB ILE A 92 -15.271 5.001 8.936 1.00 0.00 C ATOM 1375 CG1 ILE A 92 -15.421 6.344 9.654 1.00 0.00 C ATOM 1376 CG2 ILE A 92 -15.425 3.849 9.918 1.00 0.00 C ATOM 1377 CD1 ILE A 92 -16.841 6.647 10.079 1.00 0.00 C ATOM 0 H ILE A 92 -13.076 6.710 7.513 1.00 0.00 H new ATOM 0 HA ILE A 92 -13.115 5.054 8.966 1.00 0.00 H new ATOM 0 HB ILE A 92 -16.058 4.921 8.186 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -14.778 6.350 10.534 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -15.070 7.139 8.997 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -16.395 3.918 10.411 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -15.357 2.902 9.382 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -14.634 3.900 10.666 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -16.872 7.614 10.581 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -17.486 6.674 9.201 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -17.190 5.872 10.762 1.00 0.00 H new TER 1389 ILE A 92