USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 548 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 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 4 THR OG1 : rot 3:sc= -0.232 USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= -2.59! USER MOD Set 3.1: A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.525 K(o=-0.52,f=-3.6!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.384 USER MOD Single : A 12 MET CE :methyl -158:sc= -6.12! (180deg=-6.69!) USER MOD Single : A 13 THR OG1 : rot -60:sc= 0.755 USER MOD Single : A 14 CYS SG : rot 180:sc= -1.19 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.182 USER MOD Single : A 20 THR OG1 : rot -166:sc= -2.88! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 169:sc= -0.0235 (180deg=-0.146) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0783 USER MOD Single : A 58 THR OG1 : rot 120:sc= -1.46 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 43:sc= -1.84 USER MOD Single : A 66 TYR OH : rot 150:sc= 0 USER MOD Single : A 68 SER OG : rot 155:sc= -3.57! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.316 K(o=-0.32,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 17.901 2.787 1.959 1.00 0.00 N ATOM 2 CA ALA A 1 17.003 1.745 1.381 1.00 0.00 C ATOM 3 C ALA A 1 15.839 1.466 2.332 1.00 0.00 C ATOM 4 O ALA A 1 15.536 0.336 2.641 1.00 0.00 O ATOM 5 CB ALA A 1 17.879 0.503 1.229 1.00 0.00 C ATOM 0 H1 ALA A 1 18.688 2.969 1.304 1.00 0.00 H new ATOM 0 H2 ALA A 1 17.364 3.665 2.107 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.278 2.454 2.870 1.00 0.00 H new ATOM 0 HA ALA A 1 16.570 2.056 0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 1 17.288 -0.310 0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.714 0.726 0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 1 18.261 0.206 2.205 1.00 0.00 H new ATOM 13 N THR A 2 15.186 2.497 2.781 1.00 0.00 N ATOM 14 CA THR A 2 14.043 2.346 3.700 1.00 0.00 C ATOM 15 C THR A 2 13.098 3.515 3.454 1.00 0.00 C ATOM 16 O THR A 2 13.216 4.562 4.059 1.00 0.00 O ATOM 17 CB THR A 2 14.640 2.431 5.095 1.00 0.00 C ATOM 18 OG1 THR A 2 15.964 2.944 5.020 1.00 0.00 O ATOM 19 CG2 THR A 2 14.662 1.042 5.727 1.00 0.00 C ATOM 0 H THR A 2 15.408 3.463 2.539 1.00 0.00 H new ATOM 0 HA THR A 2 13.492 1.415 3.566 1.00 0.00 H new ATOM 0 HB THR A 2 14.032 3.097 5.707 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.345 2.999 5.921 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.090 1.104 6.727 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.645 0.655 5.791 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.266 0.373 5.114 1.00 0.00 H new ATOM 27 N GLN A 3 12.193 3.363 2.541 1.00 0.00 N ATOM 28 CA GLN A 3 11.275 4.493 2.221 1.00 0.00 C ATOM 29 C GLN A 3 9.815 4.110 2.439 1.00 0.00 C ATOM 30 O GLN A 3 9.440 2.956 2.382 1.00 0.00 O ATOM 31 CB GLN A 3 11.516 4.799 0.738 1.00 0.00 C ATOM 32 CG GLN A 3 13.009 4.693 0.413 1.00 0.00 C ATOM 33 CD GLN A 3 13.780 5.779 1.166 1.00 0.00 C ATOM 34 OE1 GLN A 3 13.192 6.624 1.811 1.00 0.00 O ATOM 35 NE2 GLN A 3 15.084 5.789 1.112 1.00 0.00 N ATOM 0 H GLN A 3 12.044 2.511 2.000 1.00 0.00 H new ATOM 0 HA GLN A 3 11.470 5.350 2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.951 4.102 0.119 1.00 0.00 H new ATOM 0 HB3 GLN A 3 11.155 5.800 0.502 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.383 3.708 0.693 1.00 0.00 H new ATOM 0 HG3 GLN A 3 13.166 4.800 -0.660 1.00 0.00 H new ATOM 0 HE21 GLN A 3 15.577 5.079 0.570 1.00 0.00 H new ATOM 0 HE22 GLN A 3 15.610 6.506 1.611 1.00 0.00 H new ATOM 44 N THR A 4 8.988 5.089 2.668 1.00 0.00 N ATOM 45 CA THR A 4 7.541 4.824 2.871 1.00 0.00 C ATOM 46 C THR A 4 6.731 5.857 2.089 1.00 0.00 C ATOM 47 O THR A 4 7.118 7.002 1.972 1.00 0.00 O ATOM 48 CB THR A 4 7.311 4.977 4.371 1.00 0.00 C ATOM 49 OG1 THR A 4 5.929 4.823 4.661 1.00 0.00 O ATOM 50 CG2 THR A 4 7.777 6.347 4.815 1.00 0.00 C ATOM 0 H THR A 4 9.257 6.071 2.724 1.00 0.00 H new ATOM 0 HA THR A 4 7.237 3.836 2.524 1.00 0.00 H new ATOM 0 HB THR A 4 7.876 4.212 4.905 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.445 4.601 3.838 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.613 6.457 5.887 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.839 6.458 4.597 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.215 7.113 4.281 1.00 0.00 H new ATOM 58 N VAL A 5 5.619 5.465 1.544 1.00 0.00 N ATOM 59 CA VAL A 5 4.797 6.426 0.760 1.00 0.00 C ATOM 60 C VAL A 5 3.334 6.259 1.121 1.00 0.00 C ATOM 61 O VAL A 5 2.959 5.357 1.833 1.00 0.00 O ATOM 62 CB VAL A 5 5.037 6.034 -0.696 1.00 0.00 C ATOM 63 CG1 VAL A 5 6.506 6.272 -1.047 1.00 0.00 C ATOM 64 CG2 VAL A 5 4.708 4.552 -0.881 1.00 0.00 C ATOM 0 H VAL A 5 5.241 4.520 1.606 1.00 0.00 H new ATOM 0 HA VAL A 5 5.059 7.466 0.954 1.00 0.00 H new ATOM 0 HB VAL A 5 4.402 6.635 -1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.682 5.993 -2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.747 7.326 -0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.138 5.667 -0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.878 4.268 -1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.347 3.954 -0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.664 4.376 -0.623 1.00 0.00 H new ATOM 74 N THR A 6 2.499 7.096 0.611 1.00 0.00 N ATOM 75 CA THR A 6 1.060 6.946 0.903 1.00 0.00 C ATOM 76 C THR A 6 0.415 6.447 -0.375 1.00 0.00 C ATOM 77 O THR A 6 0.935 6.657 -1.450 1.00 0.00 O ATOM 78 CB THR A 6 0.559 8.339 1.290 1.00 0.00 C ATOM 79 OG1 THR A 6 -0.747 8.231 1.839 1.00 0.00 O ATOM 80 CG2 THR A 6 0.521 9.233 0.054 1.00 0.00 C ATOM 0 H THR A 6 2.746 7.878 0.005 1.00 0.00 H new ATOM 0 HA THR A 6 0.833 6.248 1.709 1.00 0.00 H new ATOM 0 HB THR A 6 1.232 8.776 2.028 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.071 9.121 2.090 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.164 10.224 0.333 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.523 9.314 -0.368 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.151 8.801 -0.687 1.00 0.00 H new ATOM 88 N LEU A 7 -0.673 5.756 -0.288 1.00 0.00 N ATOM 89 CA LEU A 7 -1.271 5.221 -1.535 1.00 0.00 C ATOM 90 C LEU A 7 -2.760 5.544 -1.623 1.00 0.00 C ATOM 91 O LEU A 7 -3.457 5.652 -0.635 1.00 0.00 O ATOM 92 CB LEU A 7 -1.044 3.702 -1.455 1.00 0.00 C ATOM 93 CG LEU A 7 -0.126 3.244 -2.592 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.168 4.043 -2.575 1.00 0.00 C ATOM 95 CD2 LEU A 7 0.224 1.760 -2.427 1.00 0.00 C ATOM 0 H LEU A 7 -1.171 5.538 0.575 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.819 5.663 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.601 3.443 -0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.999 3.180 -1.516 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.651 3.401 -3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.813 3.709 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.943 5.102 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.677 3.892 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.877 1.447 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.734 1.610 -1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.690 1.166 -2.446 1.00 0.00 H new ATOM 107 N ALA A 8 -3.241 5.683 -2.819 1.00 0.00 N ATOM 108 CA ALA A 8 -4.686 5.981 -3.025 1.00 0.00 C ATOM 109 C ALA A 8 -5.315 4.834 -3.815 1.00 0.00 C ATOM 110 O ALA A 8 -4.946 4.575 -4.942 1.00 0.00 O ATOM 111 CB ALA A 8 -4.716 7.279 -3.833 1.00 0.00 C ATOM 0 H ALA A 8 -2.692 5.603 -3.675 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.240 6.086 -2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.750 7.564 -4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.220 8.070 -3.270 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.199 7.130 -4.781 1.00 0.00 H new ATOM 117 N VAL A 9 -6.238 4.124 -3.231 1.00 0.00 N ATOM 118 CA VAL A 9 -6.850 2.971 -3.965 1.00 0.00 C ATOM 119 C VAL A 9 -8.317 3.251 -4.331 1.00 0.00 C ATOM 120 O VAL A 9 -9.215 2.726 -3.706 1.00 0.00 O ATOM 121 CB VAL A 9 -6.764 1.777 -3.000 1.00 0.00 C ATOM 122 CG1 VAL A 9 -6.497 0.509 -3.803 1.00 0.00 C ATOM 123 CG2 VAL A 9 -5.624 1.974 -1.991 1.00 0.00 C ATOM 0 H VAL A 9 -6.595 4.285 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.328 2.784 -4.903 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.706 1.697 -2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.434 -0.344 -3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.309 0.350 -4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.557 0.612 -4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.582 1.117 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.678 2.064 -2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.802 2.881 -1.413 1.00 0.00 H new ATOM 133 N PRO A 10 -8.518 4.066 -5.343 1.00 0.00 N ATOM 134 CA PRO A 10 -9.892 4.407 -5.789 1.00 0.00 C ATOM 135 C PRO A 10 -10.642 3.165 -6.287 1.00 0.00 C ATOM 136 O PRO A 10 -11.848 3.181 -6.429 1.00 0.00 O ATOM 137 CB PRO A 10 -9.639 5.385 -6.940 1.00 0.00 C ATOM 138 CG PRO A 10 -8.121 5.487 -7.178 1.00 0.00 C ATOM 139 CD PRO A 10 -7.397 4.689 -6.085 1.00 0.00 C ATOM 0 HA PRO A 10 -10.511 4.819 -4.992 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.141 5.042 -7.845 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.050 6.365 -6.700 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.866 5.096 -8.163 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.804 6.530 -7.157 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.725 3.942 -6.507 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.795 5.333 -5.444 1.00 0.00 H new ATOM 147 N GLY A 11 -9.952 2.087 -6.551 1.00 0.00 N ATOM 148 CA GLY A 11 -10.659 0.869 -7.030 1.00 0.00 C ATOM 149 C GLY A 11 -11.739 0.502 -6.018 1.00 0.00 C ATOM 150 O GLY A 11 -12.691 -0.187 -6.327 1.00 0.00 O ATOM 0 H GLY A 11 -8.940 1.999 -6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.104 1.050 -8.008 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.955 0.045 -7.147 1.00 0.00 H new ATOM 154 N MET A 12 -11.591 0.958 -4.805 1.00 0.00 N ATOM 155 CA MET A 12 -12.601 0.639 -3.754 1.00 0.00 C ATOM 156 C MET A 12 -12.759 1.834 -2.811 1.00 0.00 C ATOM 157 O MET A 12 -12.180 2.881 -3.020 1.00 0.00 O ATOM 158 CB MET A 12 -12.053 -0.559 -2.968 1.00 0.00 C ATOM 159 CG MET A 12 -11.055 -1.358 -3.806 1.00 0.00 C ATOM 160 SD MET A 12 -9.446 -0.532 -3.771 1.00 0.00 S ATOM 161 CE MET A 12 -9.121 -0.760 -2.007 1.00 0.00 C ATOM 0 H MET A 12 -10.813 1.539 -4.494 1.00 0.00 H new ATOM 0 HA MET A 12 -13.572 0.416 -4.196 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.569 -0.209 -2.056 1.00 0.00 H new ATOM 0 HB3 MET A 12 -12.876 -1.205 -2.664 1.00 0.00 H new ATOM 0 HG2 MET A 12 -10.965 -2.372 -3.416 1.00 0.00 H new ATOM 0 HG3 MET A 12 -11.411 -1.443 -4.833 1.00 0.00 H new ATOM 0 HE1 MET A 12 -8.397 -0.018 -1.672 1.00 0.00 H new ATOM 0 HE2 MET A 12 -10.049 -0.640 -1.448 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.721 -1.760 -1.837 1.00 0.00 H new ATOM 171 N THR A 13 -13.526 1.685 -1.765 1.00 0.00 N ATOM 172 CA THR A 13 -13.696 2.816 -0.809 1.00 0.00 C ATOM 173 C THR A 13 -14.661 2.433 0.318 1.00 0.00 C ATOM 174 O THR A 13 -15.798 2.860 0.336 1.00 0.00 O ATOM 175 CB THR A 13 -14.274 3.957 -1.646 1.00 0.00 C ATOM 176 OG1 THR A 13 -14.778 4.965 -0.782 1.00 0.00 O ATOM 177 CG2 THR A 13 -15.405 3.424 -2.525 1.00 0.00 C ATOM 0 H THR A 13 -14.039 0.835 -1.532 1.00 0.00 H new ATOM 0 HA THR A 13 -12.756 3.092 -0.332 1.00 0.00 H new ATOM 0 HB THR A 13 -13.493 4.377 -2.279 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.480 4.587 -0.212 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.817 4.238 -3.122 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.017 2.649 -3.187 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.189 3.004 -1.895 1.00 0.00 H new ATOM 185 N CYS A 14 -14.226 1.641 1.264 1.00 0.00 N ATOM 186 CA CYS A 14 -15.143 1.261 2.377 1.00 0.00 C ATOM 187 C CYS A 14 -14.412 0.356 3.374 1.00 0.00 C ATOM 188 O CYS A 14 -13.248 0.060 3.217 1.00 0.00 O ATOM 189 CB CYS A 14 -16.330 0.553 1.681 1.00 0.00 C ATOM 190 SG CYS A 14 -16.334 -1.238 1.996 1.00 0.00 S ATOM 0 H CYS A 14 -13.287 1.246 1.314 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.492 2.112 2.962 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -17.267 0.985 2.033 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -16.280 0.732 0.607 1.00 0.00 H new ATOM 0 HG CYS A 14 -17.349 -1.782 1.393 1.00 0.00 H new ATOM 195 N ALA A 15 -15.088 -0.088 4.396 1.00 0.00 N ATOM 196 CA ALA A 15 -14.424 -0.976 5.392 1.00 0.00 C ATOM 197 C ALA A 15 -14.357 -2.404 4.850 1.00 0.00 C ATOM 198 O ALA A 15 -15.106 -3.269 5.259 1.00 0.00 O ATOM 199 CB ALA A 15 -15.313 -0.912 6.635 1.00 0.00 C ATOM 0 H ALA A 15 -16.068 0.124 4.585 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.402 -0.668 5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.890 -1.542 7.417 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.370 0.117 6.989 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.313 -1.265 6.385 1.00 0.00 H new ATOM 205 N ALA A 16 -13.469 -2.661 3.928 1.00 0.00 N ATOM 206 CA ALA A 16 -13.370 -4.034 3.368 1.00 0.00 C ATOM 207 C ALA A 16 -12.278 -4.117 2.297 1.00 0.00 C ATOM 208 O ALA A 16 -11.504 -5.050 2.271 1.00 0.00 O ATOM 209 CB ALA A 16 -14.742 -4.304 2.751 1.00 0.00 C ATOM 0 H ALA A 16 -12.813 -1.982 3.542 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.105 -4.764 4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.754 -5.302 2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.508 -4.237 3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.944 -3.565 1.975 1.00 0.00 H new ATOM 215 N CYS A 17 -12.227 -3.175 1.391 1.00 0.00 N ATOM 216 CA CYS A 17 -11.197 -3.249 0.306 1.00 0.00 C ATOM 217 C CYS A 17 -9.940 -2.410 0.606 1.00 0.00 C ATOM 218 O CYS A 17 -8.844 -2.891 0.396 1.00 0.00 O ATOM 219 CB CYS A 17 -11.890 -2.738 -0.957 1.00 0.00 C ATOM 220 SG CYS A 17 -13.569 -3.408 -1.063 1.00 0.00 S ATOM 0 H CYS A 17 -12.846 -2.365 1.353 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.838 -4.273 0.204 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -11.925 -1.649 -0.946 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -11.318 -3.029 -1.838 1.00 0.00 H new ATOM 0 HG CYS A 17 -14.146 -2.964 -2.140 1.00 0.00 H new ATOM 225 N PRO A 18 -10.097 -1.189 1.071 1.00 0.00 N ATOM 226 CA PRO A 18 -8.905 -0.357 1.352 1.00 0.00 C ATOM 227 C PRO A 18 -8.049 -1.083 2.386 1.00 0.00 C ATOM 228 O PRO A 18 -6.838 -1.104 2.311 1.00 0.00 O ATOM 229 CB PRO A 18 -9.506 0.936 1.900 1.00 0.00 C ATOM 230 CG PRO A 18 -11.041 0.819 1.853 1.00 0.00 C ATOM 231 CD PRO A 18 -11.419 -0.589 1.357 1.00 0.00 C ATOM 0 HA PRO A 18 -8.260 -0.163 0.495 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.170 1.106 2.923 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.173 1.789 1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.463 0.996 2.842 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -11.457 1.577 1.189 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.966 -1.153 2.112 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.049 -0.551 0.468 1.00 0.00 H new ATOM 239 N ILE A 19 -8.690 -1.711 3.331 1.00 0.00 N ATOM 240 CA ILE A 19 -7.938 -2.493 4.358 1.00 0.00 C ATOM 241 C ILE A 19 -7.206 -3.648 3.655 1.00 0.00 C ATOM 242 O ILE A 19 -6.102 -4.029 4.009 1.00 0.00 O ATOM 243 CB ILE A 19 -9.028 -3.008 5.313 1.00 0.00 C ATOM 244 CG1 ILE A 19 -8.532 -2.912 6.758 1.00 0.00 C ATOM 245 CG2 ILE A 19 -9.400 -4.466 5.001 1.00 0.00 C ATOM 246 CD1 ILE A 19 -9.638 -3.373 7.710 1.00 0.00 C ATOM 0 H ILE A 19 -9.704 -1.718 3.439 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.184 -1.917 4.894 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.915 -2.389 5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.643 -3.529 6.890 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.245 -1.886 6.987 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.173 -4.800 5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.773 -4.536 3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.518 -5.098 5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.284 -3.305 8.739 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.514 -2.737 7.584 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.904 -4.406 7.486 1.00 0.00 H new ATOM 258 N THR A 20 -7.825 -4.192 2.642 1.00 0.00 N ATOM 259 CA THR A 20 -7.193 -5.302 1.884 1.00 0.00 C ATOM 260 C THR A 20 -5.917 -4.782 1.249 1.00 0.00 C ATOM 261 O THR A 20 -5.021 -5.528 0.906 1.00 0.00 O ATOM 262 CB THR A 20 -8.206 -5.684 0.804 1.00 0.00 C ATOM 263 OG1 THR A 20 -9.500 -5.755 1.380 1.00 0.00 O ATOM 264 CG2 THR A 20 -7.834 -7.044 0.215 1.00 0.00 C ATOM 0 H THR A 20 -8.747 -3.911 2.308 1.00 0.00 H new ATOM 0 HA THR A 20 -6.941 -6.158 2.510 1.00 0.00 H new ATOM 0 HB THR A 20 -8.199 -4.933 0.014 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.110 -6.208 0.760 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.556 -7.317 -0.555 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.838 -6.990 -0.224 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.843 -7.797 1.003 1.00 0.00 H new ATOM 272 N VAL A 21 -5.830 -3.493 1.106 1.00 0.00 N ATOM 273 CA VAL A 21 -4.615 -2.903 0.512 1.00 0.00 C ATOM 274 C VAL A 21 -3.499 -2.979 1.539 1.00 0.00 C ATOM 275 O VAL A 21 -2.346 -3.161 1.212 1.00 0.00 O ATOM 276 CB VAL A 21 -4.970 -1.449 0.200 1.00 0.00 C ATOM 277 CG1 VAL A 21 -3.832 -0.807 -0.595 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.258 -1.404 -0.625 1.00 0.00 C ATOM 0 H VAL A 21 -6.552 -2.825 1.377 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.285 -3.419 -0.389 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.117 -0.902 1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.084 0.230 -0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.914 -0.839 -0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.686 -1.353 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.511 -0.368 -0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.112 -1.950 -1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.069 -1.862 -0.059 1.00 0.00 H new ATOM 288 N LYS A 22 -3.849 -2.873 2.791 1.00 0.00 N ATOM 289 CA LYS A 22 -2.825 -2.967 3.853 1.00 0.00 C ATOM 290 C LYS A 22 -2.246 -4.365 3.816 1.00 0.00 C ATOM 291 O LYS A 22 -1.069 -4.575 4.031 1.00 0.00 O ATOM 292 CB LYS A 22 -3.576 -2.733 5.162 1.00 0.00 C ATOM 293 CG LYS A 22 -2.575 -2.455 6.286 1.00 0.00 C ATOM 294 CD LYS A 22 -3.303 -2.459 7.632 1.00 0.00 C ATOM 295 CE LYS A 22 -2.278 -2.501 8.767 1.00 0.00 C ATOM 296 NZ LYS A 22 -2.268 -3.918 9.225 1.00 0.00 N ATOM 0 H LYS A 22 -4.803 -2.725 3.119 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.012 -2.250 3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.261 -1.892 5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.180 -3.606 5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.790 -3.211 6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.091 -1.492 6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.926 -1.569 7.723 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.967 -3.321 7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.292 -2.191 8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.557 -1.827 9.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.587 -4.026 10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.218 -4.183 9.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.992 -4.536 8.436 1.00 0.00 H new ATOM 310 N LYS A 23 -3.075 -5.327 3.528 1.00 0.00 N ATOM 311 CA LYS A 23 -2.575 -6.719 3.456 1.00 0.00 C ATOM 312 C LYS A 23 -1.614 -6.848 2.278 1.00 0.00 C ATOM 313 O LYS A 23 -0.610 -7.535 2.335 1.00 0.00 O ATOM 314 CB LYS A 23 -3.815 -7.588 3.246 1.00 0.00 C ATOM 315 CG LYS A 23 -3.417 -9.064 3.296 1.00 0.00 C ATOM 316 CD LYS A 23 -3.181 -9.578 1.874 1.00 0.00 C ATOM 317 CE LYS A 23 -4.415 -10.350 1.397 1.00 0.00 C ATOM 318 NZ LYS A 23 -5.172 -9.384 0.553 1.00 0.00 N ATOM 0 H LYS A 23 -4.071 -5.208 3.341 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.034 -7.018 4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.557 -7.374 4.015 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.276 -7.357 2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.514 -9.188 3.893 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.201 -9.647 3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.980 -8.743 1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.303 -10.224 1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.131 -11.234 0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.016 -10.693 2.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.926 -9.886 0.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.594 -8.651 1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.526 -8.940 -0.131 1.00 0.00 H new ATOM 332 N ALA A 24 -1.924 -6.177 1.212 1.00 0.00 N ATOM 333 CA ALA A 24 -1.058 -6.225 0.006 1.00 0.00 C ATOM 334 C ALA A 24 0.362 -5.772 0.352 1.00 0.00 C ATOM 335 O ALA A 24 1.314 -6.509 0.193 1.00 0.00 O ATOM 336 CB ALA A 24 -1.703 -5.259 -0.985 1.00 0.00 C ATOM 0 H ALA A 24 -2.752 -5.588 1.122 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.977 -7.233 -0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.119 -5.238 -1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.718 -5.589 -1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.733 -4.259 -0.552 1.00 0.00 H new ATOM 342 N LEU A 25 0.511 -4.566 0.829 1.00 0.00 N ATOM 343 CA LEU A 25 1.875 -4.073 1.189 1.00 0.00 C ATOM 344 C LEU A 25 2.423 -4.891 2.355 1.00 0.00 C ATOM 345 O LEU A 25 3.616 -5.041 2.521 1.00 0.00 O ATOM 346 CB LEU A 25 1.692 -2.616 1.623 1.00 0.00 C ATOM 347 CG LEU A 25 0.715 -1.905 0.690 1.00 0.00 C ATOM 348 CD1 LEU A 25 -0.503 -1.459 1.497 1.00 0.00 C ATOM 349 CD2 LEU A 25 1.395 -0.678 0.078 1.00 0.00 C ATOM 0 H LEU A 25 -0.248 -3.902 0.985 1.00 0.00 H new ATOM 0 HA LEU A 25 2.571 -4.162 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.321 -2.578 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.654 -2.103 1.614 1.00 0.00 H new ATOM 0 HG LEU A 25 0.406 -2.581 -0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.208 -0.950 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.985 -2.330 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.186 -0.778 2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.698 -0.170 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.699 0.003 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.273 -0.992 -0.487 1.00 0.00 H new ATOM 361 N SER A 26 1.551 -5.428 3.159 1.00 0.00 N ATOM 362 CA SER A 26 2.006 -6.241 4.313 1.00 0.00 C ATOM 363 C SER A 26 2.736 -7.466 3.790 1.00 0.00 C ATOM 364 O SER A 26 3.580 -8.034 4.455 1.00 0.00 O ATOM 365 CB SER A 26 0.728 -6.647 5.046 1.00 0.00 C ATOM 366 OG SER A 26 1.028 -7.676 5.980 1.00 0.00 O ATOM 0 H SER A 26 0.539 -5.337 3.064 1.00 0.00 H new ATOM 0 HA SER A 26 2.686 -5.703 4.973 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.301 -5.786 5.561 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.019 -6.994 4.333 1.00 0.00 H new ATOM 0 HG SER A 26 0.210 -7.937 6.453 1.00 0.00 H new ATOM 372 N LYS A 27 2.416 -7.878 2.595 1.00 0.00 N ATOM 373 CA LYS A 27 3.096 -9.066 2.030 1.00 0.00 C ATOM 374 C LYS A 27 3.712 -8.738 0.657 1.00 0.00 C ATOM 375 O LYS A 27 4.211 -9.608 -0.029 1.00 0.00 O ATOM 376 CB LYS A 27 1.998 -10.150 1.953 1.00 0.00 C ATOM 377 CG LYS A 27 1.629 -10.483 0.500 1.00 0.00 C ATOM 378 CD LYS A 27 1.008 -9.257 -0.172 1.00 0.00 C ATOM 379 CE LYS A 27 -0.181 -9.699 -1.033 1.00 0.00 C ATOM 380 NZ LYS A 27 0.414 -10.152 -2.326 1.00 0.00 N ATOM 0 H LYS A 27 1.717 -7.444 1.992 1.00 0.00 H new ATOM 0 HA LYS A 27 3.933 -9.407 2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.342 -11.053 2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.110 -9.807 2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.518 -10.798 -0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.927 -11.317 0.475 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.680 -8.542 0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.751 -8.751 -0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.737 -10.504 -0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.881 -8.878 -1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.343 -10.469 -2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.930 -9.364 -2.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.070 -10.940 -2.149 1.00 0.00 H new ATOM 394 N VAL A 28 3.695 -7.494 0.254 1.00 0.00 N ATOM 395 CA VAL A 28 4.291 -7.143 -1.070 1.00 0.00 C ATOM 396 C VAL A 28 5.698 -7.739 -1.191 1.00 0.00 C ATOM 397 O VAL A 28 6.012 -8.390 -2.165 1.00 0.00 O ATOM 398 CB VAL A 28 4.337 -5.611 -1.118 1.00 0.00 C ATOM 399 CG1 VAL A 28 5.114 -5.073 0.080 1.00 0.00 C ATOM 400 CG2 VAL A 28 5.031 -5.164 -2.408 1.00 0.00 C ATOM 0 H VAL A 28 3.299 -6.713 0.778 1.00 0.00 H new ATOM 0 HA VAL A 28 3.706 -7.543 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 28 3.319 -5.224 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.141 -3.984 0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.625 -5.388 1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.132 -5.462 0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.065 -4.075 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.046 -5.560 -2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.476 -5.539 -3.268 1.00 0.00 H new ATOM 410 N GLU A 29 6.543 -7.534 -0.207 1.00 0.00 N ATOM 411 CA GLU A 29 7.924 -8.101 -0.266 1.00 0.00 C ATOM 412 C GLU A 29 8.828 -7.481 0.808 1.00 0.00 C ATOM 413 O GLU A 29 8.987 -8.019 1.886 1.00 0.00 O ATOM 414 CB GLU A 29 8.449 -7.750 -1.657 1.00 0.00 C ATOM 415 CG GLU A 29 8.444 -9.006 -2.521 1.00 0.00 C ATOM 416 CD GLU A 29 9.883 -9.417 -2.836 1.00 0.00 C ATOM 417 OE1 GLU A 29 10.682 -8.537 -3.109 1.00 0.00 O ATOM 418 OE2 GLU A 29 10.162 -10.605 -2.797 1.00 0.00 O ATOM 0 H GLU A 29 6.333 -6.997 0.635 1.00 0.00 H new ATOM 0 HA GLU A 29 7.915 -9.176 -0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.827 -6.979 -2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.459 -7.345 -1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.929 -9.815 -2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.897 -8.822 -3.446 1.00 0.00 H new ATOM 425 N GLY A 30 9.443 -6.368 0.509 1.00 0.00 N ATOM 426 CA GLY A 30 10.364 -5.728 1.495 1.00 0.00 C ATOM 427 C GLY A 30 9.588 -4.856 2.487 1.00 0.00 C ATOM 428 O GLY A 30 10.170 -4.222 3.345 1.00 0.00 O ATOM 0 H GLY A 30 9.347 -5.873 -0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.915 -6.498 2.036 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.100 -5.120 0.969 1.00 0.00 H new ATOM 432 N VAL A 31 8.290 -4.809 2.387 1.00 0.00 N ATOM 433 CA VAL A 31 7.511 -3.965 3.342 1.00 0.00 C ATOM 434 C VAL A 31 8.029 -4.149 4.761 1.00 0.00 C ATOM 435 O VAL A 31 8.196 -5.250 5.246 1.00 0.00 O ATOM 436 CB VAL A 31 6.064 -4.442 3.239 1.00 0.00 C ATOM 437 CG1 VAL A 31 5.909 -5.790 3.947 1.00 0.00 C ATOM 438 CG2 VAL A 31 5.148 -3.410 3.902 1.00 0.00 C ATOM 0 H VAL A 31 7.736 -5.312 1.694 1.00 0.00 H new ATOM 0 HA VAL A 31 7.602 -2.906 3.102 1.00 0.00 H new ATOM 0 HB VAL A 31 5.794 -4.557 2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.875 -6.125 3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.564 -6.525 3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.178 -5.682 4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.113 -3.744 3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.424 -3.299 4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.254 -2.451 3.396 1.00 0.00 H new ATOM 448 N SER A 32 8.264 -3.064 5.428 1.00 0.00 N ATOM 449 CA SER A 32 8.752 -3.131 6.826 1.00 0.00 C ATOM 450 C SER A 32 7.648 -2.645 7.754 1.00 0.00 C ATOM 451 O SER A 32 7.679 -2.858 8.950 1.00 0.00 O ATOM 452 CB SER A 32 9.958 -2.196 6.873 1.00 0.00 C ATOM 453 OG SER A 32 11.114 -2.940 7.233 1.00 0.00 O ATOM 0 H SER A 32 8.138 -2.121 5.061 1.00 0.00 H new ATOM 0 HA SER A 32 9.025 -4.139 7.138 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.104 -1.722 5.902 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.786 -1.397 7.595 1.00 0.00 H new ATOM 0 HG SER A 32 11.891 -2.343 7.263 1.00 0.00 H new ATOM 459 N LYS A 33 6.664 -1.993 7.201 1.00 0.00 N ATOM 460 CA LYS A 33 5.541 -1.491 8.042 1.00 0.00 C ATOM 461 C LYS A 33 4.348 -1.117 7.152 1.00 0.00 C ATOM 462 O LYS A 33 4.491 -0.900 5.965 1.00 0.00 O ATOM 463 CB LYS A 33 6.116 -0.267 8.769 1.00 0.00 C ATOM 464 CG LYS A 33 5.016 0.767 9.027 1.00 0.00 C ATOM 465 CD LYS A 33 5.559 1.887 9.916 1.00 0.00 C ATOM 466 CE LYS A 33 4.929 1.783 11.306 1.00 0.00 C ATOM 467 NZ LYS A 33 3.905 2.864 11.345 1.00 0.00 N ATOM 0 H LYS A 33 6.588 -1.786 6.205 1.00 0.00 H new ATOM 0 HA LYS A 33 5.171 -2.233 8.749 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.564 -0.575 9.714 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.910 0.179 8.171 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.662 1.179 8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.161 0.291 9.507 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.644 1.814 9.990 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.334 2.858 9.475 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.476 0.804 11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.675 1.917 12.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.428 2.857 12.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.366 3.785 11.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.204 2.706 10.593 1.00 0.00 H new ATOM 481 N VAL A 34 3.173 -1.043 7.717 1.00 0.00 N ATOM 482 CA VAL A 34 1.978 -0.686 6.905 1.00 0.00 C ATOM 483 C VAL A 34 0.938 0.024 7.774 1.00 0.00 C ATOM 484 O VAL A 34 0.853 -0.191 8.967 1.00 0.00 O ATOM 485 CB VAL A 34 1.427 -2.017 6.391 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.360 -1.749 5.327 1.00 0.00 C ATOM 487 CG2 VAL A 34 2.564 -2.838 5.777 1.00 0.00 C ATOM 0 H VAL A 34 2.991 -1.215 8.706 1.00 0.00 H new ATOM 0 HA VAL A 34 2.227 -0.008 6.089 1.00 0.00 H new ATOM 0 HB VAL A 34 0.985 -2.571 7.219 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.034 -2.697 4.960 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.450 -1.164 5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.803 -1.195 4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.171 -3.787 5.411 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.006 -2.284 4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.325 -3.028 6.534 1.00 0.00 H new ATOM 497 N ASP A 35 0.144 0.864 7.177 1.00 0.00 N ATOM 498 CA ASP A 35 -0.904 1.597 7.938 1.00 0.00 C ATOM 499 C ASP A 35 -1.809 2.292 6.929 1.00 0.00 C ATOM 500 O ASP A 35 -1.492 3.351 6.430 1.00 0.00 O ATOM 501 CB ASP A 35 -0.149 2.619 8.791 1.00 0.00 C ATOM 502 CG ASP A 35 -1.063 3.125 9.910 1.00 0.00 C ATOM 503 OD1 ASP A 35 -2.157 2.601 10.037 1.00 0.00 O ATOM 504 OD2 ASP A 35 -0.651 4.027 10.621 1.00 0.00 O ATOM 0 H ASP A 35 0.176 1.077 6.180 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.519 0.953 8.566 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.746 2.164 9.216 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.181 3.453 8.171 1.00 0.00 H new ATOM 509 N VAL A 36 -2.910 1.686 6.589 1.00 0.00 N ATOM 510 CA VAL A 36 -3.795 2.297 5.560 1.00 0.00 C ATOM 511 C VAL A 36 -5.075 2.863 6.169 1.00 0.00 C ATOM 512 O VAL A 36 -5.128 3.228 7.326 1.00 0.00 O ATOM 513 CB VAL A 36 -4.133 1.142 4.611 1.00 0.00 C ATOM 514 CG1 VAL A 36 -2.862 0.352 4.286 1.00 0.00 C ATOM 515 CG2 VAL A 36 -5.150 0.211 5.275 1.00 0.00 C ATOM 0 H VAL A 36 -3.235 0.800 6.976 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.305 3.134 5.063 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.555 1.547 3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.106 -0.468 3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.136 1.011 3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.438 -0.049 5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.389 -0.609 4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.729 -0.190 6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.058 0.768 5.504 1.00 0.00 H new ATOM 525 N GLY A 37 -6.105 2.937 5.374 1.00 0.00 N ATOM 526 CA GLY A 37 -7.400 3.475 5.855 1.00 0.00 C ATOM 527 C GLY A 37 -8.529 2.706 5.171 1.00 0.00 C ATOM 528 O GLY A 37 -8.747 2.847 3.971 1.00 0.00 O ATOM 0 H GLY A 37 -6.101 2.642 4.398 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.474 3.373 6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.475 4.539 5.629 1.00 0.00 H new ATOM 532 N PHE A 38 -9.223 1.890 5.937 1.00 0.00 N ATOM 533 CA PHE A 38 -10.352 1.066 5.397 1.00 0.00 C ATOM 534 C PHE A 38 -11.642 1.890 5.353 1.00 0.00 C ATOM 535 O PHE A 38 -12.649 1.534 5.929 1.00 0.00 O ATOM 536 CB PHE A 38 -10.484 -0.122 6.369 1.00 0.00 C ATOM 537 CG PHE A 38 -10.918 0.345 7.749 1.00 0.00 C ATOM 538 CD1 PHE A 38 -9.964 0.786 8.678 1.00 0.00 C ATOM 539 CD2 PHE A 38 -12.274 0.326 8.102 1.00 0.00 C ATOM 540 CE1 PHE A 38 -10.366 1.209 9.951 1.00 0.00 C ATOM 541 CE2 PHE A 38 -12.675 0.750 9.376 1.00 0.00 C ATOM 542 CZ PHE A 38 -11.722 1.193 10.299 1.00 0.00 C ATOM 0 H PHE A 38 -9.048 1.760 6.933 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.167 0.730 4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -11.209 -0.836 5.979 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.530 -0.644 6.442 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.918 0.799 8.411 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -13.011 -0.016 7.391 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -9.630 1.548 10.665 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.721 0.735 9.645 1.00 0.00 H new ATOM 0 HZ PHE A 38 -12.032 1.523 11.280 1.00 0.00 H new ATOM 552 N GLU A 39 -11.616 2.986 4.659 1.00 0.00 N ATOM 553 CA GLU A 39 -12.831 3.847 4.560 1.00 0.00 C ATOM 554 C GLU A 39 -12.526 5.048 3.669 1.00 0.00 C ATOM 555 O GLU A 39 -13.134 5.241 2.635 1.00 0.00 O ATOM 556 CB GLU A 39 -13.125 4.300 5.992 1.00 0.00 C ATOM 557 CG GLU A 39 -14.440 5.083 6.021 1.00 0.00 C ATOM 558 CD GLU A 39 -14.152 6.553 6.329 1.00 0.00 C ATOM 559 OE1 GLU A 39 -13.486 7.187 5.527 1.00 0.00 O ATOM 560 OE2 GLU A 39 -14.604 7.021 7.362 1.00 0.00 O ATOM 0 H GLU A 39 -10.802 3.330 4.150 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.683 3.323 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.190 3.435 6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.311 4.923 6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.949 4.995 5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.107 4.666 6.776 1.00 0.00 H new ATOM 567 N LYS A 40 -11.566 5.845 4.051 1.00 0.00 N ATOM 568 CA LYS A 40 -11.199 7.018 3.213 1.00 0.00 C ATOM 569 C LYS A 40 -10.328 6.547 2.043 1.00 0.00 C ATOM 570 O LYS A 40 -9.868 7.336 1.242 1.00 0.00 O ATOM 571 CB LYS A 40 -10.413 7.945 4.141 1.00 0.00 C ATOM 572 CG LYS A 40 -10.683 9.400 3.751 1.00 0.00 C ATOM 573 CD LYS A 40 -11.130 10.188 4.984 1.00 0.00 C ATOM 574 CE LYS A 40 -11.463 11.626 4.577 1.00 0.00 C ATOM 575 NZ LYS A 40 -10.469 12.471 5.297 1.00 0.00 N ATOM 0 H LYS A 40 -11.021 5.734 4.906 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.066 7.526 2.791 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.705 7.774 5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.347 7.730 4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.783 9.847 3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.453 9.444 2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.002 9.715 5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.341 10.185 5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.386 11.759 3.498 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.483 11.890 4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.634 13.472 5.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.571 12.329 6.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.508 12.202 5.004 1.00 0.00 H new ATOM 589 N ARG A 41 -10.109 5.258 1.946 1.00 0.00 N ATOM 590 CA ARG A 41 -9.283 4.705 0.835 1.00 0.00 C ATOM 591 C ARG A 41 -7.869 5.266 0.867 1.00 0.00 C ATOM 592 O ARG A 41 -7.558 6.221 0.184 1.00 0.00 O ATOM 593 CB ARG A 41 -9.983 5.146 -0.443 1.00 0.00 C ATOM 594 CG ARG A 41 -9.242 4.578 -1.655 1.00 0.00 C ATOM 595 CD ARG A 41 -8.598 5.718 -2.455 1.00 0.00 C ATOM 596 NE ARG A 41 -9.714 6.663 -2.745 1.00 0.00 N ATOM 597 CZ ARG A 41 -9.461 7.847 -3.239 1.00 0.00 C ATOM 598 NH1 ARG A 41 -8.229 8.208 -3.479 1.00 0.00 N ATOM 599 NH2 ARG A 41 -10.441 8.669 -3.495 1.00 0.00 N ATOM 0 H ARG A 41 -10.472 4.562 2.597 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.194 3.621 0.912 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.017 4.801 -0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.011 6.234 -0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.477 3.875 -1.327 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.934 4.024 -2.288 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.808 6.204 -1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.145 5.348 -3.375 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.677 6.385 -2.558 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.462 7.566 -3.281 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.034 9.132 -3.864 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.404 8.388 -3.310 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.244 9.593 -3.880 1.00 0.00 H new ATOM 613 N GLU A 42 -7.000 4.686 1.638 1.00 0.00 N ATOM 614 CA GLU A 42 -5.601 5.226 1.657 1.00 0.00 C ATOM 615 C GLU A 42 -4.627 4.270 2.352 1.00 0.00 C ATOM 616 O GLU A 42 -4.782 3.953 3.512 1.00 0.00 O ATOM 617 CB GLU A 42 -5.706 6.541 2.430 1.00 0.00 C ATOM 618 CG GLU A 42 -4.309 7.012 2.840 1.00 0.00 C ATOM 619 CD GLU A 42 -4.408 8.396 3.484 1.00 0.00 C ATOM 620 OE1 GLU A 42 -4.411 9.370 2.749 1.00 0.00 O ATOM 621 OE2 GLU A 42 -4.481 8.458 4.700 1.00 0.00 O ATOM 0 H GLU A 42 -7.180 3.885 2.243 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.211 5.358 0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.189 7.299 1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.329 6.405 3.314 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.865 6.304 3.540 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.656 7.050 1.968 1.00 0.00 H new ATOM 628 N ALA A 43 -3.612 3.814 1.656 1.00 0.00 N ATOM 629 CA ALA A 43 -2.638 2.886 2.298 1.00 0.00 C ATOM 630 C ALA A 43 -1.258 3.539 2.429 1.00 0.00 C ATOM 631 O ALA A 43 -0.619 3.860 1.457 1.00 0.00 O ATOM 632 CB ALA A 43 -2.576 1.677 1.366 1.00 0.00 C ATOM 0 H ALA A 43 -3.420 4.044 0.681 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.942 2.614 3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.878 0.943 1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.566 1.229 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.240 1.995 0.379 1.00 0.00 H new ATOM 638 N VAL A 44 -0.777 3.706 3.626 1.00 0.00 N ATOM 639 CA VAL A 44 0.571 4.314 3.806 1.00 0.00 C ATOM 640 C VAL A 44 1.524 3.212 4.250 1.00 0.00 C ATOM 641 O VAL A 44 1.263 2.502 5.198 1.00 0.00 O ATOM 642 CB VAL A 44 0.387 5.385 4.888 1.00 0.00 C ATOM 643 CG1 VAL A 44 1.691 5.583 5.667 1.00 0.00 C ATOM 644 CG2 VAL A 44 -0.007 6.705 4.222 1.00 0.00 C ATOM 0 H VAL A 44 -1.257 3.449 4.488 1.00 0.00 H new ATOM 0 HA VAL A 44 0.983 4.761 2.901 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.393 5.064 5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.546 6.346 6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.978 4.644 6.141 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.479 5.900 4.983 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.140 7.472 4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.778 7.012 3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.940 6.572 3.675 1.00 0.00 H new ATOM 654 N VAL A 45 2.596 3.018 3.540 1.00 0.00 N ATOM 655 CA VAL A 45 3.505 1.899 3.909 1.00 0.00 C ATOM 656 C VAL A 45 4.982 2.292 3.918 1.00 0.00 C ATOM 657 O VAL A 45 5.435 3.113 3.152 1.00 0.00 O ATOM 658 CB VAL A 45 3.264 0.872 2.809 1.00 0.00 C ATOM 659 CG1 VAL A 45 3.617 1.489 1.456 1.00 0.00 C ATOM 660 CG2 VAL A 45 4.140 -0.359 3.051 1.00 0.00 C ATOM 0 H VAL A 45 2.881 3.574 2.734 1.00 0.00 H new ATOM 0 HA VAL A 45 3.298 1.547 4.920 1.00 0.00 H new ATOM 0 HB VAL A 45 2.215 0.574 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.446 0.757 0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.992 2.364 1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.666 1.786 1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.965 -1.091 2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.190 -0.065 3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.890 -0.799 4.016 1.00 0.00 H new ATOM 670 N THR A 46 5.734 1.639 4.759 1.00 0.00 N ATOM 671 CA THR A 46 7.203 1.865 4.832 1.00 0.00 C ATOM 672 C THR A 46 7.861 0.581 4.348 1.00 0.00 C ATOM 673 O THR A 46 7.253 -0.469 4.384 1.00 0.00 O ATOM 674 CB THR A 46 7.512 2.088 6.314 1.00 0.00 C ATOM 675 OG1 THR A 46 7.231 3.435 6.669 1.00 0.00 O ATOM 676 CG2 THR A 46 8.989 1.776 6.585 1.00 0.00 C ATOM 0 H THR A 46 5.382 0.941 5.414 1.00 0.00 H new ATOM 0 HA THR A 46 7.553 2.708 4.236 1.00 0.00 H new ATOM 0 HB THR A 46 6.888 1.425 6.914 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.429 3.571 7.619 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.207 1.936 7.641 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.195 0.738 6.325 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.616 2.433 5.982 1.00 0.00 H new ATOM 684 N PHE A 47 9.075 0.629 3.897 1.00 0.00 N ATOM 685 CA PHE A 47 9.702 -0.630 3.428 1.00 0.00 C ATOM 686 C PHE A 47 11.171 -0.422 3.138 1.00 0.00 C ATOM 687 O PHE A 47 11.708 0.647 3.324 1.00 0.00 O ATOM 688 CB PHE A 47 8.958 -0.982 2.142 1.00 0.00 C ATOM 689 CG PHE A 47 9.172 0.118 1.132 1.00 0.00 C ATOM 690 CD1 PHE A 47 10.362 0.175 0.391 1.00 0.00 C ATOM 691 CD2 PHE A 47 8.180 1.086 0.938 1.00 0.00 C ATOM 692 CE1 PHE A 47 10.554 1.199 -0.541 1.00 0.00 C ATOM 693 CE2 PHE A 47 8.374 2.109 0.004 1.00 0.00 C ATOM 694 CZ PHE A 47 9.561 2.165 -0.735 1.00 0.00 C ATOM 0 H PHE A 47 9.653 1.467 3.832 1.00 0.00 H new ATOM 0 HA PHE A 47 9.638 -1.419 4.177 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.319 -1.931 1.746 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.894 -1.105 2.345 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.128 -0.571 0.540 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.265 1.043 1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.470 1.244 -1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.608 2.855 -0.147 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.711 2.955 -1.456 1.00 0.00 H new ATOM 704 N ASP A 48 11.809 -1.436 2.647 1.00 0.00 N ATOM 705 CA ASP A 48 13.242 -1.315 2.298 1.00 0.00 C ATOM 706 C ASP A 48 13.338 -1.274 0.779 1.00 0.00 C ATOM 707 O ASP A 48 12.999 -2.221 0.099 1.00 0.00 O ATOM 708 CB ASP A 48 13.907 -2.572 2.860 1.00 0.00 C ATOM 709 CG ASP A 48 15.094 -2.174 3.742 1.00 0.00 C ATOM 710 OD1 ASP A 48 16.135 -1.853 3.192 1.00 0.00 O ATOM 711 OD2 ASP A 48 14.941 -2.199 4.952 1.00 0.00 O ATOM 0 H ASP A 48 11.396 -2.352 2.471 1.00 0.00 H new ATOM 0 HA ASP A 48 13.721 -0.422 2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.187 -3.148 3.441 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.245 -3.212 2.045 1.00 0.00 H new ATOM 716 N ASP A 49 13.751 -0.166 0.239 1.00 0.00 N ATOM 717 CA ASP A 49 13.813 -0.049 -1.244 1.00 0.00 C ATOM 718 C ASP A 49 14.751 -1.107 -1.846 1.00 0.00 C ATOM 719 O ASP A 49 14.795 -1.296 -3.045 1.00 0.00 O ATOM 720 CB ASP A 49 14.303 1.386 -1.509 1.00 0.00 C ATOM 721 CG ASP A 49 15.819 1.412 -1.738 1.00 0.00 C ATOM 722 OD1 ASP A 49 16.508 0.623 -1.114 1.00 0.00 O ATOM 723 OD2 ASP A 49 16.263 2.221 -2.538 1.00 0.00 O ATOM 0 H ASP A 49 14.048 0.662 0.756 1.00 0.00 H new ATOM 0 HA ASP A 49 12.847 -0.229 -1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.792 1.794 -2.381 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.048 2.024 -0.663 1.00 0.00 H new ATOM 728 N THR A 50 15.497 -1.798 -1.028 1.00 0.00 N ATOM 729 CA THR A 50 16.421 -2.838 -1.565 1.00 0.00 C ATOM 730 C THR A 50 15.631 -4.043 -2.093 1.00 0.00 C ATOM 731 O THR A 50 16.076 -4.741 -2.983 1.00 0.00 O ATOM 732 CB THR A 50 17.294 -3.244 -0.375 1.00 0.00 C ATOM 733 OG1 THR A 50 18.244 -4.213 -0.796 1.00 0.00 O ATOM 734 CG2 THR A 50 16.416 -3.832 0.730 1.00 0.00 C ATOM 0 H THR A 50 15.507 -1.688 -0.014 1.00 0.00 H new ATOM 0 HA THR A 50 17.015 -2.466 -2.400 1.00 0.00 H new ATOM 0 HB THR A 50 17.815 -2.367 0.009 1.00 0.00 H new ATOM 0 HG1 THR A 50 18.805 -4.473 -0.036 1.00 0.00 H new ATOM 0 HG21 THR A 50 17.040 -4.120 1.576 1.00 0.00 H new ATOM 0 HG22 THR A 50 15.689 -3.087 1.053 1.00 0.00 H new ATOM 0 HG23 THR A 50 15.892 -4.709 0.350 1.00 0.00 H new ATOM 742 N LYS A 51 14.466 -4.301 -1.556 1.00 0.00 N ATOM 743 CA LYS A 51 13.671 -5.470 -2.043 1.00 0.00 C ATOM 744 C LYS A 51 12.277 -5.032 -2.499 1.00 0.00 C ATOM 745 O LYS A 51 11.572 -5.763 -3.165 1.00 0.00 O ATOM 746 CB LYS A 51 13.576 -6.418 -0.847 1.00 0.00 C ATOM 747 CG LYS A 51 14.595 -7.548 -1.014 1.00 0.00 C ATOM 748 CD LYS A 51 14.192 -8.739 -0.141 1.00 0.00 C ATOM 749 CE LYS A 51 12.801 -9.231 -0.550 1.00 0.00 C ATOM 750 NZ LYS A 51 12.646 -10.548 0.129 1.00 0.00 N ATOM 0 H LYS A 51 14.033 -3.759 -0.808 1.00 0.00 H new ATOM 0 HA LYS A 51 14.140 -5.946 -2.904 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.767 -5.875 0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.569 -6.829 -0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 51 14.647 -7.852 -2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.589 -7.199 -0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.919 -9.544 -0.249 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.191 -8.448 0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.026 -8.531 -0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.720 -9.332 -1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.715 -10.951 -0.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.393 -11.195 -0.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.721 -10.419 1.158 1.00 0.00 H new ATOM 764 N ALA A 52 11.881 -3.843 -2.155 1.00 0.00 N ATOM 765 CA ALA A 52 10.539 -3.345 -2.576 1.00 0.00 C ATOM 766 C ALA A 52 10.630 -1.865 -2.945 1.00 0.00 C ATOM 767 O ALA A 52 11.704 -1.305 -3.040 1.00 0.00 O ATOM 768 CB ALA A 52 9.630 -3.538 -1.363 1.00 0.00 C ATOM 0 H ALA A 52 12.429 -3.188 -1.597 1.00 0.00 H new ATOM 0 HA ALA A 52 10.158 -3.876 -3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.625 -3.192 -1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.596 -4.595 -1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.020 -2.965 -0.521 1.00 0.00 H new ATOM 774 N SER A 53 9.515 -1.225 -3.156 1.00 0.00 N ATOM 775 CA SER A 53 9.554 0.216 -3.518 1.00 0.00 C ATOM 776 C SER A 53 8.141 0.752 -3.731 1.00 0.00 C ATOM 777 O SER A 53 7.210 0.007 -3.961 1.00 0.00 O ATOM 778 CB SER A 53 10.348 0.274 -4.822 1.00 0.00 C ATOM 779 OG SER A 53 10.018 -0.853 -5.623 1.00 0.00 O ATOM 0 H SER A 53 8.583 -1.636 -3.094 1.00 0.00 H new ATOM 0 HA SER A 53 10.006 0.823 -2.734 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.121 1.195 -5.359 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.417 0.284 -4.610 1.00 0.00 H new ATOM 0 HG SER A 53 10.525 -0.818 -6.461 1.00 0.00 H new ATOM 785 N VAL A 54 7.980 2.041 -3.659 1.00 0.00 N ATOM 786 CA VAL A 54 6.636 2.644 -3.868 1.00 0.00 C ATOM 787 C VAL A 54 5.924 1.941 -5.023 1.00 0.00 C ATOM 788 O VAL A 54 4.757 1.612 -4.938 1.00 0.00 O ATOM 789 CB VAL A 54 6.921 4.104 -4.218 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.920 4.171 -5.375 1.00 0.00 C ATOM 791 CG2 VAL A 54 5.621 4.789 -4.632 1.00 0.00 C ATOM 0 H VAL A 54 8.726 2.708 -3.463 1.00 0.00 H new ATOM 0 HA VAL A 54 5.991 2.551 -2.995 1.00 0.00 H new ATOM 0 HB VAL A 54 7.341 4.609 -3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.121 5.213 -5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.849 3.682 -5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.503 3.666 -6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.822 5.831 -4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.203 4.281 -5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.908 4.745 -3.809 1.00 0.00 H new ATOM 801 N GLN A 55 6.619 1.695 -6.098 1.00 0.00 N ATOM 802 CA GLN A 55 5.979 0.999 -7.248 1.00 0.00 C ATOM 803 C GLN A 55 5.427 -0.350 -6.783 1.00 0.00 C ATOM 804 O GLN A 55 4.300 -0.699 -7.065 1.00 0.00 O ATOM 805 CB GLN A 55 7.100 0.800 -8.268 1.00 0.00 C ATOM 806 CG GLN A 55 6.530 0.152 -9.530 1.00 0.00 C ATOM 807 CD GLN A 55 7.619 0.077 -10.600 1.00 0.00 C ATOM 808 OE1 GLN A 55 8.271 -0.937 -10.749 1.00 0.00 O ATOM 809 NE2 GLN A 55 7.847 1.116 -11.356 1.00 0.00 N ATOM 0 H GLN A 55 7.599 1.945 -6.230 1.00 0.00 H new ATOM 0 HA GLN A 55 5.148 1.563 -7.672 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.558 1.758 -8.513 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.884 0.171 -7.845 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.159 -0.847 -9.303 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.683 0.731 -9.898 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.300 1.968 -11.231 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.573 1.076 -12.072 1.00 0.00 H new ATOM 818 N LYS A 56 6.219 -1.106 -6.070 1.00 0.00 N ATOM 819 CA LYS A 56 5.754 -2.437 -5.578 1.00 0.00 C ATOM 820 C LYS A 56 4.589 -2.280 -4.597 1.00 0.00 C ATOM 821 O LYS A 56 3.764 -3.161 -4.462 1.00 0.00 O ATOM 822 CB LYS A 56 6.965 -3.041 -4.867 1.00 0.00 C ATOM 823 CG LYS A 56 7.202 -4.463 -5.379 1.00 0.00 C ATOM 824 CD LYS A 56 8.371 -4.457 -6.363 1.00 0.00 C ATOM 825 CE LYS A 56 7.871 -4.039 -7.748 1.00 0.00 C ATOM 826 NZ LYS A 56 9.063 -3.459 -8.428 1.00 0.00 N ATOM 0 H LYS A 56 7.172 -0.858 -5.806 1.00 0.00 H new ATOM 0 HA LYS A 56 5.394 -3.065 -6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.848 -2.427 -5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.798 -3.054 -3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.417 -5.131 -4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.303 -4.841 -5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.144 -3.769 -6.021 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.824 -5.447 -6.412 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.478 -4.893 -8.300 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.065 -3.309 -7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.800 -3.149 -9.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.411 -2.644 -7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.811 -4.179 -8.491 1.00 0.00 H new ATOM 840 N LEU A 57 4.501 -1.171 -3.913 1.00 0.00 N ATOM 841 CA LEU A 57 3.372 -0.992 -2.959 1.00 0.00 C ATOM 842 C LEU A 57 2.079 -0.819 -3.756 1.00 0.00 C ATOM 843 O LEU A 57 1.124 -1.557 -3.595 1.00 0.00 O ATOM 844 CB LEU A 57 3.703 0.280 -2.176 1.00 0.00 C ATOM 845 CG LEU A 57 5.113 0.185 -1.579 1.00 0.00 C ATOM 846 CD1 LEU A 57 5.454 1.516 -0.914 1.00 0.00 C ATOM 847 CD2 LEU A 57 5.166 -0.932 -0.533 1.00 0.00 C ATOM 0 H LEU A 57 5.155 -0.390 -3.973 1.00 0.00 H new ATOM 0 HA LEU A 57 3.239 -1.841 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.636 1.147 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.973 0.426 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 57 5.830 -0.037 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.455 1.463 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.420 2.313 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.731 1.724 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.171 -0.992 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.454 -0.718 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.911 -1.882 -1.002 1.00 0.00 H new ATOM 859 N THR A 58 2.060 0.139 -4.639 1.00 0.00 N ATOM 860 CA THR A 58 0.856 0.356 -5.480 1.00 0.00 C ATOM 861 C THR A 58 0.652 -0.866 -6.368 1.00 0.00 C ATOM 862 O THR A 58 -0.430 -1.121 -6.858 1.00 0.00 O ATOM 863 CB THR A 58 1.182 1.587 -6.325 1.00 0.00 C ATOM 864 OG1 THR A 58 1.774 2.581 -5.500 1.00 0.00 O ATOM 865 CG2 THR A 58 -0.101 2.136 -6.949 1.00 0.00 C ATOM 0 H THR A 58 2.831 0.783 -4.814 1.00 0.00 H new ATOM 0 HA THR A 58 -0.054 0.502 -4.898 1.00 0.00 H new ATOM 0 HB THR A 58 1.877 1.310 -7.118 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.672 2.789 -5.832 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.134 3.014 -7.551 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.553 1.372 -7.582 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.800 2.414 -6.160 1.00 0.00 H new ATOM 873 N LYS A 59 1.691 -1.634 -6.569 1.00 0.00 N ATOM 874 CA LYS A 59 1.561 -2.851 -7.411 1.00 0.00 C ATOM 875 C LYS A 59 1.015 -3.993 -6.562 1.00 0.00 C ATOM 876 O LYS A 59 0.400 -4.910 -7.065 1.00 0.00 O ATOM 877 CB LYS A 59 2.971 -3.167 -7.902 1.00 0.00 C ATOM 878 CG LYS A 59 3.126 -2.667 -9.339 1.00 0.00 C ATOM 879 CD LYS A 59 4.095 -3.575 -10.096 1.00 0.00 C ATOM 880 CE LYS A 59 3.340 -4.318 -11.201 1.00 0.00 C ATOM 881 NZ LYS A 59 4.306 -4.411 -12.331 1.00 0.00 N ATOM 0 H LYS A 59 2.621 -1.468 -6.185 1.00 0.00 H new ATOM 0 HA LYS A 59 0.879 -2.708 -8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.709 -2.691 -7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.153 -4.241 -7.856 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.157 -2.656 -9.838 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.496 -1.642 -9.340 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.903 -2.984 -10.527 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.553 -4.288 -9.411 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.025 -5.307 -10.868 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.439 -3.779 -11.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.861 -4.909 -13.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.582 -3.454 -12.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.150 -4.935 -12.024 1.00 0.00 H new ATOM 895 N ALA A 60 1.218 -3.940 -5.271 1.00 0.00 N ATOM 896 CA ALA A 60 0.680 -5.024 -4.405 1.00 0.00 C ATOM 897 C ALA A 60 -0.835 -4.886 -4.338 1.00 0.00 C ATOM 898 O ALA A 60 -1.562 -5.855 -4.434 1.00 0.00 O ATOM 899 CB ALA A 60 1.316 -4.808 -3.032 1.00 0.00 C ATOM 0 H ALA A 60 1.727 -3.201 -4.786 1.00 0.00 H new ATOM 0 HA ALA A 60 0.906 -6.022 -4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.962 -5.574 -2.342 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.401 -4.871 -3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.039 -3.824 -2.654 1.00 0.00 H new ATOM 905 N THR A 61 -1.324 -3.683 -4.222 1.00 0.00 N ATOM 906 CA THR A 61 -2.798 -3.497 -4.206 1.00 0.00 C ATOM 907 C THR A 61 -3.288 -3.672 -5.631 1.00 0.00 C ATOM 908 O THR A 61 -4.305 -4.284 -5.890 1.00 0.00 O ATOM 909 CB THR A 61 -3.026 -2.071 -3.722 1.00 0.00 C ATOM 910 OG1 THR A 61 -4.419 -1.837 -3.579 1.00 0.00 O ATOM 911 CG2 THR A 61 -2.441 -1.082 -4.730 1.00 0.00 C ATOM 0 H THR A 61 -0.772 -2.829 -4.138 1.00 0.00 H new ATOM 0 HA THR A 61 -3.325 -4.203 -3.564 1.00 0.00 H new ATOM 0 HB THR A 61 -2.533 -1.934 -2.759 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.839 -2.613 -3.154 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.607 -0.064 -4.379 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.371 -1.260 -4.835 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.928 -1.216 -5.696 1.00 0.00 H new ATOM 919 N ALA A 62 -2.535 -3.162 -6.565 1.00 0.00 N ATOM 920 CA ALA A 62 -2.919 -3.322 -7.985 1.00 0.00 C ATOM 921 C ALA A 62 -3.073 -4.812 -8.273 1.00 0.00 C ATOM 922 O ALA A 62 -3.892 -5.223 -9.070 1.00 0.00 O ATOM 923 CB ALA A 62 -1.759 -2.730 -8.786 1.00 0.00 C ATOM 0 H ALA A 62 -1.672 -2.643 -6.402 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.858 -2.829 -8.238 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.973 -2.813 -9.852 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.633 -1.680 -8.522 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.843 -3.274 -8.556 1.00 0.00 H new ATOM 929 N ASP A 63 -2.294 -5.628 -7.608 1.00 0.00 N ATOM 930 CA ASP A 63 -2.405 -7.094 -7.824 1.00 0.00 C ATOM 931 C ASP A 63 -3.491 -7.664 -6.912 1.00 0.00 C ATOM 932 O ASP A 63 -4.051 -8.709 -7.176 1.00 0.00 O ATOM 933 CB ASP A 63 -1.034 -7.663 -7.458 1.00 0.00 C ATOM 934 CG ASP A 63 -0.592 -8.657 -8.533 1.00 0.00 C ATOM 935 OD1 ASP A 63 -0.793 -8.364 -9.701 1.00 0.00 O ATOM 936 OD2 ASP A 63 -0.062 -9.694 -8.172 1.00 0.00 O ATOM 0 H ASP A 63 -1.590 -5.339 -6.929 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.677 -7.346 -8.849 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.305 -6.857 -7.371 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.081 -8.157 -6.488 1.00 0.00 H new ATOM 941 N ALA A 64 -3.813 -6.972 -5.850 1.00 0.00 N ATOM 942 CA ALA A 64 -4.881 -7.468 -4.945 1.00 0.00 C ATOM 943 C ALA A 64 -6.233 -7.246 -5.615 1.00 0.00 C ATOM 944 O ALA A 64 -7.249 -7.750 -5.179 1.00 0.00 O ATOM 945 CB ALA A 64 -4.762 -6.623 -3.678 1.00 0.00 C ATOM 0 H ALA A 64 -3.382 -6.089 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.789 -8.530 -4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.522 -6.934 -2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.773 -6.760 -3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.906 -5.572 -3.927 1.00 0.00 H new ATOM 951 N GLY A 65 -6.247 -6.483 -6.675 1.00 0.00 N ATOM 952 CA GLY A 65 -7.526 -6.212 -7.378 1.00 0.00 C ATOM 953 C GLY A 65 -7.975 -4.803 -7.032 1.00 0.00 C ATOM 954 O GLY A 65 -9.151 -4.513 -6.955 1.00 0.00 O ATOM 0 H GLY A 65 -5.425 -6.037 -7.082 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.396 -6.314 -8.455 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.284 -6.936 -7.078 1.00 0.00 H new ATOM 958 N TYR A 66 -7.033 -3.931 -6.812 1.00 0.00 N ATOM 959 CA TYR A 66 -7.374 -2.535 -6.445 1.00 0.00 C ATOM 960 C TYR A 66 -6.454 -1.549 -7.173 1.00 0.00 C ATOM 961 O TYR A 66 -5.414 -1.187 -6.660 1.00 0.00 O ATOM 962 CB TYR A 66 -7.130 -2.481 -4.937 1.00 0.00 C ATOM 963 CG TYR A 66 -8.066 -3.441 -4.245 1.00 0.00 C ATOM 964 CD1 TYR A 66 -9.403 -3.518 -4.650 1.00 0.00 C ATOM 965 CD2 TYR A 66 -7.598 -4.261 -3.207 1.00 0.00 C ATOM 966 CE1 TYR A 66 -10.273 -4.420 -4.021 1.00 0.00 C ATOM 967 CE2 TYR A 66 -8.468 -5.156 -2.577 1.00 0.00 C ATOM 968 CZ TYR A 66 -9.806 -5.236 -2.983 1.00 0.00 C ATOM 969 OH TYR A 66 -10.665 -6.121 -2.363 1.00 0.00 O ATOM 0 H TYR A 66 -6.034 -4.130 -6.872 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.394 -2.264 -6.717 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.095 -2.741 -4.715 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -7.291 -1.468 -4.567 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.764 -2.884 -5.446 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.566 -4.201 -2.895 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -11.304 -4.486 -4.337 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.108 -5.786 -1.777 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.161 -6.899 -2.047 1.00 0.00 H new ATOM 979 N PRO A 67 -6.868 -1.134 -8.343 1.00 0.00 N ATOM 980 CA PRO A 67 -6.066 -0.171 -9.129 1.00 0.00 C ATOM 981 C PRO A 67 -5.782 1.072 -8.284 1.00 0.00 C ATOM 982 O PRO A 67 -6.580 1.985 -8.216 1.00 0.00 O ATOM 983 CB PRO A 67 -6.990 0.151 -10.307 1.00 0.00 C ATOM 984 CG PRO A 67 -8.246 -0.738 -10.206 1.00 0.00 C ATOM 985 CD PRO A 67 -8.145 -1.594 -8.936 1.00 0.00 C ATOM 0 HA PRO A 67 -5.094 -0.548 -9.448 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.270 1.204 -10.291 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.475 -0.028 -11.251 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.144 -0.121 -10.175 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.328 -1.376 -11.086 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.988 -1.427 -8.265 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.126 -2.660 -9.165 1.00 0.00 H new ATOM 993 N SER A 68 -4.659 1.105 -7.621 1.00 0.00 N ATOM 994 CA SER A 68 -4.344 2.281 -6.761 1.00 0.00 C ATOM 995 C SER A 68 -3.221 3.128 -7.368 1.00 0.00 C ATOM 996 O SER A 68 -2.828 2.950 -8.504 1.00 0.00 O ATOM 997 CB SER A 68 -3.901 1.679 -5.426 1.00 0.00 C ATOM 998 OG SER A 68 -2.547 2.033 -5.168 1.00 0.00 O ATOM 0 H SER A 68 -3.949 0.373 -7.637 1.00 0.00 H new ATOM 0 HA SER A 68 -5.201 2.946 -6.655 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.542 2.041 -4.622 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.005 0.594 -5.452 1.00 0.00 H new ATOM 0 HG SER A 68 -2.382 2.014 -4.202 1.00 0.00 H new ATOM 1004 N SER A 69 -2.706 4.047 -6.601 1.00 0.00 N ATOM 1005 CA SER A 69 -1.608 4.925 -7.082 1.00 0.00 C ATOM 1006 C SER A 69 -0.798 5.372 -5.867 1.00 0.00 C ATOM 1007 O SER A 69 -1.081 4.975 -4.761 1.00 0.00 O ATOM 1008 CB SER A 69 -2.304 6.115 -7.743 1.00 0.00 C ATOM 1009 OG SER A 69 -1.762 6.316 -9.042 1.00 0.00 O ATOM 0 H SER A 69 -3.007 4.229 -5.643 1.00 0.00 H new ATOM 0 HA SER A 69 -0.931 4.435 -7.782 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.377 5.933 -7.809 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.169 7.012 -7.138 1.00 0.00 H new ATOM 0 HG SER A 69 -2.208 7.077 -9.468 1.00 0.00 H new ATOM 1015 N VAL A 70 0.213 6.166 -6.040 1.00 0.00 N ATOM 1016 CA VAL A 70 1.006 6.576 -4.855 1.00 0.00 C ATOM 1017 C VAL A 70 1.292 8.071 -4.854 1.00 0.00 C ATOM 1018 O VAL A 70 1.290 8.716 -5.884 1.00 0.00 O ATOM 1019 CB VAL A 70 2.287 5.781 -4.992 1.00 0.00 C ATOM 1020 CG1 VAL A 70 3.146 6.382 -6.108 1.00 0.00 C ATOM 1021 CG2 VAL A 70 3.061 5.826 -3.673 1.00 0.00 C ATOM 0 H VAL A 70 0.523 6.545 -6.935 1.00 0.00 H new ATOM 0 HA VAL A 70 0.480 6.386 -3.919 1.00 0.00 H new ATOM 0 HB VAL A 70 2.046 4.746 -5.236 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.068 5.809 -6.206 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.596 6.348 -7.049 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.386 7.417 -5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.983 5.253 -3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.301 6.860 -3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.451 5.396 -2.878 1.00 0.00 H new ATOM 1031 N LYS A 71 1.541 8.630 -3.699 1.00 0.00 N ATOM 1032 CA LYS A 71 1.829 10.094 -3.649 1.00 0.00 C ATOM 1033 C LYS A 71 2.501 10.479 -2.330 1.00 0.00 C ATOM 1034 O LYS A 71 2.180 11.482 -1.723 1.00 0.00 O ATOM 1035 CB LYS A 71 0.464 10.763 -3.776 1.00 0.00 C ATOM 1036 CG LYS A 71 -0.505 10.091 -2.809 1.00 0.00 C ATOM 1037 CD LYS A 71 -1.079 11.138 -1.858 1.00 0.00 C ATOM 1038 CE LYS A 71 -2.594 10.956 -1.748 1.00 0.00 C ATOM 1039 NZ LYS A 71 -2.985 11.720 -0.531 1.00 0.00 N ATOM 0 H LYS A 71 1.558 8.146 -2.801 1.00 0.00 H new ATOM 0 HA LYS A 71 2.515 10.401 -4.438 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.543 11.827 -3.553 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.096 10.679 -4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.309 9.605 -3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.008 9.313 -2.244 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.619 11.042 -0.875 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.848 12.139 -2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.103 11.337 -2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.860 9.903 -1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.012 11.643 -0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.490 11.331 0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.726 12.720 -0.651 1.00 0.00 H new ATOM 1053 N GLN A 72 3.441 9.694 -1.899 1.00 0.00 N ATOM 1054 CA GLN A 72 4.165 10.001 -0.627 1.00 0.00 C ATOM 1055 C GLN A 72 3.181 10.163 0.537 1.00 0.00 C ATOM 1056 O GLN A 72 2.469 11.153 0.553 1.00 0.00 O ATOM 1057 CB GLN A 72 4.893 11.320 -0.893 1.00 0.00 C ATOM 1058 CG GLN A 72 6.381 11.044 -1.127 1.00 0.00 C ATOM 1059 CD GLN A 72 6.819 11.682 -2.447 1.00 0.00 C ATOM 1060 OE1 GLN A 72 6.137 12.536 -2.978 1.00 0.00 O ATOM 1061 NE2 GLN A 72 7.937 11.301 -3.003 1.00 0.00 N ATOM 1062 OXT GLN A 72 3.168 9.302 1.401 1.00 0.00 O ATOM 0 H GLN A 72 3.746 8.844 -2.373 1.00 0.00 H new ATOM 0 HA GLN A 72 4.849 9.199 -0.348 1.00 0.00 H new ATOM 0 HB2 GLN A 72 4.463 11.816 -1.763 1.00 0.00 H new ATOM 0 HB3 GLN A 72 4.766 11.995 -0.046 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.970 11.447 -0.303 1.00 0.00 H new ATOM 0 HG3 GLN A 72 6.562 9.970 -1.153 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.510 10.584 -2.558 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.238 11.720 -3.883 1.00 0.00 H new