USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 369 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 CYS SG : rot 141:sc= 1.87 USER MOD Set 1.2: A 13 HIS : no HD1:sc= -2.83 K(o=-3.2,f=-4!) USER MOD Set 1.3: A 30 CYS SG : rot -66:sc= -2.28 USER MOD Single : A 1 ASP N :NH3+ 144:sc= 0.0558 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.0151 X(o=-0.015,f=-0.47) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.0832 USER MOD Single : A 11 THR OG1 : rot 88:sc= 0.487 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -170:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0677 X(o=-0.068,f=-0.45) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 94:sc= 0.064 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.142) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.0586 X(o=-0.059,f=-0.059) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.375 0.010 0.018 1.00 10.00 N ATOM 2 CA ASP A 1 2.119 -0.020 -1.249 1.00 10.00 C ATOM 3 C ASP A 1 1.154 -0.293 -2.376 1.00 10.00 C ATOM 4 O ASP A 1 0.259 -1.110 -2.191 1.00 10.00 O ATOM 5 CB ASP A 1 3.216 -1.095 -1.221 1.00 10.00 C ATOM 6 CG ASP A 1 4.557 -0.432 -0.942 1.00 10.00 C ATOM 7 OD1 ASP A 1 4.675 0.740 -1.352 1.00 10.00 O ATOM 8 OD2 ASP A 1 5.359 -1.062 -0.232 1.00 10.00 O ATOM 0 H1 ASP A 1 1.959 -0.403 0.773 1.00 10.00 H new ATOM 0 H2 ASP A 1 1.141 0.994 0.260 1.00 10.00 H new ATOM 0 H3 ASP A 1 0.498 -0.540 -0.081 1.00 10.00 H new ATOM 0 HA ASP A 1 2.603 0.945 -1.399 1.00 10.00 H new ATOM 0 HB2 ASP A 1 2.996 -1.836 -0.453 1.00 10.00 H new ATOM 0 HB3 ASP A 1 3.249 -1.623 -2.174 1.00 10.00 H new ATOM 15 N GLU A 2 1.308 0.379 -3.514 1.00 10.00 N ATOM 16 CA GLU A 2 0.519 0.082 -4.715 1.00 10.00 C ATOM 17 C GLU A 2 0.759 -1.353 -5.202 1.00 10.00 C ATOM 18 O GLU A 2 -0.180 -2.053 -5.545 1.00 10.00 O ATOM 19 CB GLU A 2 0.838 1.102 -5.819 1.00 10.00 C ATOM 20 CG GLU A 2 2.246 0.900 -6.407 1.00 10.00 C ATOM 21 CD GLU A 2 2.714 2.047 -7.301 1.00 10.00 C ATOM 22 OE1 GLU A 2 2.504 3.214 -6.906 1.00 10.00 O ATOM 23 OE2 GLU A 2 3.288 1.714 -8.362 1.00 10.00 O ATOM 0 H GLU A 2 1.977 1.140 -3.634 1.00 10.00 H new ATOM 0 HA GLU A 2 -0.538 0.163 -4.460 1.00 10.00 H new ATOM 0 HB2 GLU A 2 0.098 1.017 -6.615 1.00 10.00 H new ATOM 0 HB3 GLU A 2 0.756 2.111 -5.414 1.00 10.00 H new ATOM 0 HG2 GLU A 2 2.956 0.777 -5.589 1.00 10.00 H new ATOM 0 HG3 GLU A 2 2.259 -0.025 -6.983 1.00 10.00 H new ATOM 30 N ALA A 3 2.010 -1.825 -5.185 1.00 10.00 N ATOM 31 CA ALA A 3 2.379 -3.154 -5.667 1.00 10.00 C ATOM 32 C ALA A 3 1.680 -4.267 -4.876 1.00 10.00 C ATOM 33 O ALA A 3 1.107 -5.175 -5.459 1.00 10.00 O ATOM 34 CB ALA A 3 3.895 -3.320 -5.589 1.00 10.00 C ATOM 0 H ALA A 3 2.801 -1.287 -4.832 1.00 10.00 H new ATOM 0 HA ALA A 3 2.050 -3.241 -6.703 1.00 10.00 H new ATOM 0 HB1 ALA A 3 4.171 -4.311 -5.948 1.00 10.00 H new ATOM 0 HB2 ALA A 3 4.376 -2.562 -6.208 1.00 10.00 H new ATOM 0 HB3 ALA A 3 4.221 -3.205 -4.555 1.00 10.00 H new ATOM 40 N GLN A 4 1.638 -4.135 -3.550 1.00 10.00 N ATOM 41 CA GLN A 4 0.881 -5.010 -2.653 1.00 10.00 C ATOM 42 C GLN A 4 -0.560 -5.231 -3.135 1.00 10.00 C ATOM 43 O GLN A 4 -1.142 -6.296 -2.952 1.00 10.00 O ATOM 44 CB GLN A 4 0.915 -4.392 -1.241 1.00 10.00 C ATOM 45 CG GLN A 4 1.859 -5.150 -0.298 1.00 10.00 C ATOM 46 CD GLN A 4 1.126 -6.052 0.688 1.00 10.00 C ATOM 47 OE1 GLN A 4 0.007 -6.488 0.487 1.00 10.00 O ATOM 48 NE2 GLN A 4 1.714 -6.318 1.833 1.00 10.00 N ATOM 0 H GLN A 4 2.142 -3.398 -3.057 1.00 10.00 H new ATOM 0 HA GLN A 4 1.342 -5.997 -2.641 1.00 10.00 H new ATOM 0 HB2 GLN A 4 1.232 -3.351 -1.310 1.00 10.00 H new ATOM 0 HB3 GLN A 4 -0.091 -4.392 -0.822 1.00 10.00 H new ATOM 0 HG2 GLN A 4 2.547 -5.754 -0.891 1.00 10.00 H new ATOM 0 HG3 GLN A 4 2.462 -4.431 0.256 1.00 10.00 H new ATOM 0 HE21 GLN A 4 2.651 -5.962 2.020 1.00 10.00 H new ATOM 0 HE22 GLN A 4 1.233 -6.881 2.535 1.00 10.00 H new ATOM 57 N PHE A 5 -1.124 -4.205 -3.773 1.00 10.00 N ATOM 58 CA PHE A 5 -2.438 -4.244 -4.378 1.00 10.00 C ATOM 59 C PHE A 5 -2.382 -4.758 -5.798 1.00 10.00 C ATOM 60 O PHE A 5 -3.198 -5.588 -6.157 1.00 10.00 O ATOM 61 CB PHE A 5 -3.027 -2.838 -4.365 1.00 10.00 C ATOM 62 CG PHE A 5 -4.487 -2.808 -4.704 1.00 10.00 C ATOM 63 CD1 PHE A 5 -4.922 -2.888 -6.040 1.00 10.00 C ATOM 64 CD2 PHE A 5 -5.414 -2.673 -3.665 1.00 10.00 C ATOM 65 CE1 PHE A 5 -6.291 -2.840 -6.331 1.00 10.00 C ATOM 66 CE2 PHE A 5 -6.773 -2.557 -3.967 1.00 10.00 C ATOM 67 CZ PHE A 5 -7.219 -2.691 -5.292 1.00 10.00 C ATOM 0 H PHE A 5 -0.660 -3.303 -3.881 1.00 10.00 H new ATOM 0 HA PHE A 5 -3.064 -4.926 -3.803 1.00 10.00 H new ATOM 0 HB2 PHE A 5 -2.880 -2.398 -3.378 1.00 10.00 H new ATOM 0 HB3 PHE A 5 -2.482 -2.216 -5.075 1.00 10.00 H new ATOM 0 HD1 PHE A 5 -4.202 -2.986 -6.839 1.00 10.00 H new ATOM 0 HD2 PHE A 5 -5.082 -2.659 -2.638 1.00 10.00 H new ATOM 0 HE1 PHE A 5 -6.630 -2.918 -7.353 1.00 10.00 H new ATOM 0 HE2 PHE A 5 -7.484 -2.363 -3.178 1.00 10.00 H new ATOM 0 HZ PHE A 5 -8.277 -2.679 -5.510 1.00 10.00 H new ATOM 77 N LYS A 6 -1.436 -4.292 -6.617 1.00 10.00 N ATOM 78 CA LYS A 6 -1.264 -4.754 -7.996 1.00 10.00 C ATOM 79 C LYS A 6 -1.066 -6.261 -8.030 1.00 10.00 C ATOM 80 O LYS A 6 -1.569 -6.909 -8.934 1.00 10.00 O ATOM 81 CB LYS A 6 -0.108 -3.999 -8.661 1.00 10.00 C ATOM 82 CG LYS A 6 0.046 -4.329 -10.158 1.00 10.00 C ATOM 83 CD LYS A 6 1.501 -4.671 -10.493 1.00 10.00 C ATOM 84 CE LYS A 6 1.598 -5.124 -11.951 1.00 10.00 C ATOM 85 NZ LYS A 6 2.963 -4.900 -12.481 1.00 10.00 N ATOM 0 H LYS A 6 -0.763 -3.578 -6.339 1.00 10.00 H new ATOM 0 HA LYS A 6 -2.167 -4.538 -8.567 1.00 10.00 H new ATOM 0 HB2 LYS A 6 -0.268 -2.927 -8.546 1.00 10.00 H new ATOM 0 HB3 LYS A 6 0.821 -4.240 -8.144 1.00 10.00 H new ATOM 0 HG2 LYS A 6 -0.599 -5.169 -10.418 1.00 10.00 H new ATOM 0 HG3 LYS A 6 -0.280 -3.479 -10.758 1.00 10.00 H new ATOM 0 HD2 LYS A 6 2.137 -3.801 -10.329 1.00 10.00 H new ATOM 0 HD3 LYS A 6 1.862 -5.459 -9.832 1.00 10.00 H new ATOM 0 HE2 LYS A 6 1.343 -6.181 -12.026 1.00 10.00 H new ATOM 0 HE3 LYS A 6 0.874 -4.578 -12.555 1.00 10.00 H new ATOM 0 HZ1 LYS A 6 3.007 -5.214 -13.471 1.00 10.00 H new ATOM 0 HZ2 LYS A 6 3.194 -3.887 -12.429 1.00 10.00 H new ATOM 0 HZ3 LYS A 6 3.648 -5.441 -11.916 1.00 10.00 H new ATOM 99 N GLU A 7 -0.415 -6.818 -7.019 1.00 10.00 N ATOM 100 CA GLU A 7 -0.272 -8.249 -6.844 1.00 10.00 C ATOM 101 C GLU A 7 -1.602 -8.881 -6.486 1.00 10.00 C ATOM 102 O GLU A 7 -1.993 -9.854 -7.113 1.00 10.00 O ATOM 103 CB GLU A 7 0.834 -8.589 -5.831 1.00 10.00 C ATOM 104 CG GLU A 7 2.203 -8.629 -6.523 1.00 10.00 C ATOM 105 CD GLU A 7 3.301 -9.093 -5.559 1.00 10.00 C ATOM 106 OE1 GLU A 7 3.563 -8.355 -4.582 1.00 10.00 O ATOM 107 OE2 GLU A 7 3.876 -10.173 -5.825 1.00 10.00 O ATOM 0 H GLU A 7 0.036 -6.273 -6.284 1.00 10.00 H new ATOM 0 HA GLU A 7 0.044 -8.678 -7.795 1.00 10.00 H new ATOM 0 HB2 GLU A 7 0.845 -7.847 -5.033 1.00 10.00 H new ATOM 0 HB3 GLU A 7 0.626 -9.553 -5.367 1.00 10.00 H new ATOM 0 HG2 GLU A 7 2.160 -9.302 -7.380 1.00 10.00 H new ATOM 0 HG3 GLU A 7 2.448 -7.639 -6.907 1.00 10.00 H new ATOM 114 N CYS A 8 -2.359 -8.272 -5.577 1.00 10.00 N ATOM 115 CA CYS A 8 -3.659 -8.796 -5.218 1.00 10.00 C ATOM 116 C CYS A 8 -4.593 -8.746 -6.413 1.00 10.00 C ATOM 117 O CYS A 8 -5.233 -9.726 -6.709 1.00 10.00 O ATOM 118 CB CYS A 8 -4.248 -8.024 -4.049 1.00 10.00 C ATOM 119 SG CYS A 8 -5.227 -9.088 -2.967 1.00 10.00 S ATOM 0 H CYS A 8 -2.091 -7.421 -5.082 1.00 10.00 H new ATOM 0 HA CYS A 8 -3.539 -9.835 -4.912 1.00 10.00 H new ATOM 0 HB2 CYS A 8 -3.444 -7.564 -3.475 1.00 10.00 H new ATOM 0 HB3 CYS A 8 -4.874 -7.215 -4.426 1.00 10.00 H new ATOM 124 N TYR A 9 -4.639 -7.653 -7.156 1.00 10.00 N ATOM 125 CA TYR A 9 -5.454 -7.494 -8.345 1.00 10.00 C ATOM 126 C TYR A 9 -5.092 -8.502 -9.428 1.00 10.00 C ATOM 127 O TYR A 9 -5.962 -9.224 -9.895 1.00 10.00 O ATOM 128 CB TYR A 9 -5.283 -6.070 -8.866 1.00 10.00 C ATOM 129 CG TYR A 9 -6.367 -5.644 -9.828 1.00 10.00 C ATOM 130 CD1 TYR A 9 -6.305 -5.992 -11.192 1.00 10.00 C ATOM 131 CD2 TYR A 9 -7.422 -4.851 -9.355 1.00 10.00 C ATOM 132 CE1 TYR A 9 -7.279 -5.510 -12.088 1.00 10.00 C ATOM 133 CE2 TYR A 9 -8.359 -4.331 -10.258 1.00 10.00 C ATOM 134 CZ TYR A 9 -8.300 -4.652 -11.623 1.00 10.00 C ATOM 135 OH TYR A 9 -9.184 -4.078 -12.475 1.00 10.00 O ATOM 0 H TYR A 9 -4.089 -6.822 -6.938 1.00 10.00 H new ATOM 0 HA TYR A 9 -6.495 -7.679 -8.079 1.00 10.00 H new ATOM 0 HB2 TYR A 9 -5.268 -5.382 -8.021 1.00 10.00 H new ATOM 0 HB3 TYR A 9 -4.316 -5.987 -9.362 1.00 10.00 H new ATOM 0 HD1 TYR A 9 -5.510 -6.629 -11.551 1.00 10.00 H new ATOM 0 HD2 TYR A 9 -7.512 -4.642 -8.299 1.00 10.00 H new ATOM 0 HE1 TYR A 9 -7.245 -5.796 -13.129 1.00 10.00 H new ATOM 0 HE2 TYR A 9 -9.137 -3.674 -9.899 1.00 10.00 H new ATOM 0 HH TYR A 9 -9.812 -3.522 -11.969 1.00 10.00 H new ATOM 145 N ASP A 10 -3.820 -8.571 -9.826 1.00 10.00 N ATOM 146 CA ASP A 10 -3.326 -9.497 -10.855 1.00 10.00 C ATOM 147 C ASP A 10 -3.572 -10.958 -10.441 1.00 10.00 C ATOM 148 O ASP A 10 -4.195 -11.759 -11.143 1.00 10.00 O ATOM 149 CB ASP A 10 -1.820 -9.237 -11.076 1.00 10.00 C ATOM 150 CG ASP A 10 -1.288 -9.597 -12.466 1.00 10.00 C ATOM 151 OD1 ASP A 10 -1.946 -10.410 -13.156 1.00 10.00 O ATOM 152 OD2 ASP A 10 -0.213 -9.053 -12.817 1.00 10.00 O ATOM 0 H ASP A 10 -3.089 -7.975 -9.437 1.00 10.00 H new ATOM 0 HA ASP A 10 -3.866 -9.326 -11.786 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -1.620 -8.182 -10.891 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -1.258 -9.803 -10.333 1.00 10.00 H new ATOM 157 N THR A 11 -3.117 -11.310 -9.240 1.00 10.00 N ATOM 158 CA THR A 11 -3.262 -12.643 -8.655 1.00 10.00 C ATOM 159 C THR A 11 -4.721 -12.997 -8.396 1.00 10.00 C ATOM 160 O THR A 11 -5.124 -14.104 -8.755 1.00 10.00 O ATOM 161 CB THR A 11 -2.449 -12.770 -7.359 1.00 10.00 C ATOM 162 OG1 THR A 11 -1.099 -12.483 -7.646 1.00 10.00 O ATOM 163 CG2 THR A 11 -2.478 -14.175 -6.747 1.00 10.00 C ATOM 0 H THR A 11 -2.624 -10.658 -8.630 1.00 10.00 H new ATOM 0 HA THR A 11 -2.871 -13.352 -9.385 1.00 10.00 H new ATOM 0 HB THR A 11 -2.898 -12.078 -6.647 1.00 10.00 H new ATOM 0 HG1 THR A 11 -0.946 -11.518 -7.567 1.00 10.00 H new ATOM 0 HG21 THR A 11 -1.882 -14.187 -5.835 1.00 10.00 H new ATOM 0 HG22 THR A 11 -3.507 -14.448 -6.512 1.00 10.00 H new ATOM 0 HG23 THR A 11 -2.066 -14.890 -7.459 1.00 10.00 H new ATOM 171 N CYS A 12 -5.527 -12.078 -7.858 1.00 10.00 N ATOM 172 CA CYS A 12 -6.967 -12.261 -7.727 1.00 10.00 C ATOM 173 C CYS A 12 -7.557 -12.494 -9.111 1.00 10.00 C ATOM 174 O CYS A 12 -8.284 -13.455 -9.302 1.00 10.00 O ATOM 175 CB CYS A 12 -7.667 -11.092 -7.024 1.00 10.00 C ATOM 176 SG CYS A 12 -9.414 -11.424 -6.686 1.00 10.00 S ATOM 0 H CYS A 12 -5.193 -11.183 -7.501 1.00 10.00 H new ATOM 0 HA CYS A 12 -7.137 -13.128 -7.089 1.00 10.00 H new ATOM 0 HB2 CYS A 12 -7.154 -10.878 -6.086 1.00 10.00 H new ATOM 0 HB3 CYS A 12 -7.584 -10.199 -7.644 1.00 10.00 H new ATOM 0 HG CYS A 12 -9.731 -10.939 -5.522 1.00 10.00 H new ATOM 181 N HIS A 13 -7.176 -11.708 -10.128 1.00 10.00 N ATOM 182 CA HIS A 13 -7.642 -11.890 -11.505 1.00 10.00 C ATOM 183 C HIS A 13 -7.391 -13.291 -12.030 1.00 10.00 C ATOM 184 O HIS A 13 -8.198 -13.780 -12.806 1.00 10.00 O ATOM 185 CB HIS A 13 -6.993 -10.887 -12.452 1.00 10.00 C ATOM 186 CG HIS A 13 -7.872 -10.565 -13.626 1.00 10.00 C ATOM 187 ND1 HIS A 13 -7.470 -10.508 -14.944 1.00 10.00 N ATOM 188 CD2 HIS A 13 -9.147 -10.083 -13.544 1.00 10.00 C ATOM 189 CE1 HIS A 13 -8.490 -9.991 -15.653 1.00 10.00 C ATOM 190 NE2 HIS A 13 -9.527 -9.757 -14.834 1.00 10.00 N ATOM 0 H HIS A 13 -6.532 -10.925 -10.015 1.00 10.00 H new ATOM 0 HA HIS A 13 -8.719 -11.723 -11.473 1.00 10.00 H new ATOM 0 HB2 HIS A 13 -6.766 -9.970 -11.908 1.00 10.00 H new ATOM 0 HB3 HIS A 13 -6.045 -11.288 -12.809 1.00 10.00 H new ATOM 0 HD2 HIS A 13 -9.742 -9.977 -12.649 1.00 10.00 H new ATOM 0 HE1 HIS A 13 -8.476 -9.795 -16.715 1.00 10.00 H new ATOM 0 HE2 HIS A 13 -10.440 -9.400 -15.115 1.00 10.00 H new ATOM 199 N LYS A 14 -6.289 -13.917 -11.622 1.00 10.00 N ATOM 200 CA LYS A 14 -5.993 -15.319 -11.909 1.00 10.00 C ATOM 201 C LYS A 14 -7.093 -16.249 -11.388 1.00 10.00 C ATOM 202 O LYS A 14 -7.832 -16.810 -12.189 1.00 10.00 O ATOM 203 CB LYS A 14 -4.594 -15.691 -11.392 1.00 10.00 C ATOM 204 CG LYS A 14 -3.696 -16.152 -12.543 1.00 10.00 C ATOM 205 CD LYS A 14 -2.636 -17.160 -12.075 1.00 10.00 C ATOM 206 CE LYS A 14 -1.259 -16.499 -11.976 1.00 10.00 C ATOM 207 NZ LYS A 14 -1.044 -15.857 -10.654 1.00 10.00 N ATOM 0 H LYS A 14 -5.564 -13.456 -11.073 1.00 10.00 H new ATOM 0 HA LYS A 14 -5.980 -15.456 -12.990 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -4.144 -14.831 -10.895 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -4.675 -16.483 -10.648 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.309 -16.605 -13.322 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -3.203 -15.287 -12.988 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -2.919 -17.567 -11.104 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -2.592 -17.998 -12.771 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -0.485 -17.247 -12.146 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -1.158 -15.751 -12.763 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -0.100 -15.421 -10.629 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -1.767 -15.125 -10.502 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -1.114 -16.574 -9.904 1.00 10.00 H new ATOM 221 N GLU A 15 -7.227 -16.369 -10.067 1.00 10.00 N ATOM 222 CA GLU A 15 -8.279 -17.168 -9.411 1.00 10.00 C ATOM 223 C GLU A 15 -9.699 -16.657 -9.730 1.00 10.00 C ATOM 224 O GLU A 15 -10.698 -17.342 -9.544 1.00 10.00 O ATOM 225 CB GLU A 15 -8.019 -17.184 -7.897 1.00 10.00 C ATOM 226 CG GLU A 15 -8.884 -18.251 -7.202 1.00 10.00 C ATOM 227 CD GLU A 15 -8.212 -18.893 -5.983 1.00 10.00 C ATOM 228 OE1 GLU A 15 -6.996 -19.194 -6.067 1.00 10.00 O ATOM 229 OE2 GLU A 15 -8.930 -19.099 -4.978 1.00 10.00 O ATOM 0 H GLU A 15 -6.601 -15.909 -9.406 1.00 10.00 H new ATOM 0 HA GLU A 15 -8.234 -18.184 -9.804 1.00 10.00 H new ATOM 0 HB2 GLU A 15 -6.965 -17.385 -7.707 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -8.237 -16.203 -7.476 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -9.824 -17.796 -6.890 1.00 10.00 H new ATOM 0 HG3 GLU A 15 -9.131 -19.031 -7.922 1.00 10.00 H new ATOM 236 N CYS A 16 -9.809 -15.444 -10.267 1.00 10.00 N ATOM 237 CA CYS A 16 -11.060 -14.858 -10.700 1.00 10.00 C ATOM 238 C CYS A 16 -11.453 -15.367 -12.091 1.00 10.00 C ATOM 239 O CYS A 16 -12.509 -15.952 -12.307 1.00 10.00 O ATOM 240 CB CYS A 16 -10.985 -13.338 -10.711 1.00 10.00 C ATOM 241 SG CYS A 16 -12.625 -12.598 -10.966 1.00 10.00 S ATOM 0 H CYS A 16 -9.006 -14.832 -10.414 1.00 10.00 H new ATOM 0 HA CYS A 16 -11.824 -15.162 -9.984 1.00 10.00 H new ATOM 0 HB2 CYS A 16 -10.567 -12.986 -9.768 1.00 10.00 H new ATOM 0 HB3 CYS A 16 -10.309 -13.011 -11.501 1.00 10.00 H new ATOM 246 N SER A 17 -10.624 -15.081 -13.094 1.00 10.00 N ATOM 247 CA SER A 17 -10.811 -15.583 -14.457 1.00 10.00 C ATOM 248 C SER A 17 -10.910 -17.115 -14.509 1.00 10.00 C ATOM 249 O SER A 17 -11.574 -17.645 -15.394 1.00 10.00 O ATOM 250 CB SER A 17 -9.671 -15.110 -15.362 1.00 10.00 C ATOM 251 OG SER A 17 -10.168 -14.496 -16.533 1.00 10.00 O ATOM 0 H SER A 17 -9.799 -14.491 -12.985 1.00 10.00 H new ATOM 0 HA SER A 17 -11.758 -15.178 -14.815 1.00 10.00 H new ATOM 0 HB2 SER A 17 -9.041 -14.406 -14.819 1.00 10.00 H new ATOM 0 HB3 SER A 17 -9.042 -15.958 -15.632 1.00 10.00 H new ATOM 0 HG SER A 17 -9.431 -14.346 -17.162 1.00 10.00 H new ATOM 257 N ASP A 18 -10.326 -17.809 -13.527 1.00 10.00 N ATOM 258 CA ASP A 18 -10.496 -19.248 -13.295 1.00 10.00 C ATOM 259 C ASP A 18 -11.974 -19.628 -13.232 1.00 10.00 C ATOM 260 O ASP A 18 -12.379 -20.628 -13.823 1.00 10.00 O ATOM 261 CB ASP A 18 -9.788 -19.653 -11.999 1.00 10.00 C ATOM 262 CG ASP A 18 -10.331 -20.978 -11.452 1.00 10.00 C ATOM 263 OD1 ASP A 18 -9.869 -22.031 -11.943 1.00 10.00 O ATOM 264 OD2 ASP A 18 -11.239 -20.910 -10.591 1.00 10.00 O ATOM 0 H ASP A 18 -9.702 -17.371 -12.850 1.00 10.00 H new ATOM 0 HA ASP A 18 -10.049 -19.784 -14.132 1.00 10.00 H new ATOM 0 HB2 ASP A 18 -8.717 -19.745 -12.182 1.00 10.00 H new ATOM 0 HB3 ASP A 18 -9.918 -18.870 -11.252 1.00 10.00 H new ATOM 269 N LYS A 19 -12.824 -18.782 -12.625 1.00 10.00 N ATOM 270 CA LYS A 19 -14.261 -19.012 -12.583 1.00 10.00 C ATOM 271 C LYS A 19 -14.896 -19.069 -13.971 1.00 10.00 C ATOM 272 O LYS A 19 -16.082 -19.389 -14.057 1.00 10.00 O ATOM 273 CB LYS A 19 -14.917 -17.946 -11.697 1.00 10.00 C ATOM 274 CG LYS A 19 -15.364 -18.501 -10.348 1.00 10.00 C ATOM 275 CD LYS A 19 -16.890 -18.477 -10.208 1.00 10.00 C ATOM 276 CE LYS A 19 -17.343 -19.745 -9.488 1.00 10.00 C ATOM 277 NZ LYS A 19 -17.495 -20.862 -10.455 1.00 10.00 N ATOM 0 H LYS A 19 -12.527 -17.927 -12.155 1.00 10.00 H new ATOM 0 HA LYS A 19 -14.434 -19.997 -12.149 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -14.213 -17.130 -11.535 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -15.778 -17.526 -12.217 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -15.004 -19.524 -10.237 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -14.915 -17.916 -9.546 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -17.203 -17.595 -9.650 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -17.357 -18.415 -11.191 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -16.617 -20.015 -8.722 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -18.290 -19.564 -8.980 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -17.804 -21.718 -9.951 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -18.205 -20.607 -11.171 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -16.583 -21.044 -10.921 1.00 10.00 H new ATOM 291 N GLY A 20 -14.146 -18.707 -15.013 1.00 10.00 N ATOM 292 CA GLY A 20 -14.548 -18.667 -16.412 1.00 10.00 C ATOM 293 C GLY A 20 -15.396 -17.443 -16.733 1.00 10.00 C ATOM 294 O GLY A 20 -16.137 -17.429 -17.714 1.00 10.00 O ATOM 0 H GLY A 20 -13.177 -18.415 -14.889 1.00 10.00 H new ATOM 0 HA2 GLY A 20 -13.660 -18.667 -17.044 1.00 10.00 H new ATOM 0 HA3 GLY A 20 -15.110 -19.569 -16.653 1.00 10.00 H new ATOM 298 N ASN A 21 -15.331 -16.430 -15.864 1.00 10.00 N ATOM 299 CA ASN A 21 -16.052 -15.186 -16.030 1.00 10.00 C ATOM 300 C ASN A 21 -15.389 -14.294 -17.083 1.00 10.00 C ATOM 301 O ASN A 21 -14.271 -14.532 -17.541 1.00 10.00 O ATOM 302 CB ASN A 21 -16.182 -14.473 -14.676 1.00 10.00 C ATOM 303 CG ASN A 21 -17.557 -14.640 -14.058 1.00 10.00 C ATOM 304 OD1 ASN A 21 -18.580 -14.492 -14.699 1.00 10.00 O ATOM 305 ND2 ASN A 21 -17.628 -14.874 -12.768 1.00 10.00 N ATOM 0 H ASN A 21 -14.765 -16.462 -15.016 1.00 10.00 H new ATOM 0 HA ASN A 21 -17.055 -15.408 -16.395 1.00 10.00 H new ATOM 0 HB2 ASN A 21 -15.430 -14.863 -13.990 1.00 10.00 H new ATOM 0 HB3 ASN A 21 -15.973 -13.411 -14.807 1.00 10.00 H new ATOM 0 HD21 ASN A 21 -18.537 -14.931 -12.309 1.00 10.00 H new ATOM 0 HD22 ASN A 21 -16.774 -14.999 -12.225 1.00 10.00 H new ATOM 312 N GLY A 22 -16.055 -13.184 -17.394 1.00 10.00 N ATOM 313 CA GLY A 22 -15.493 -12.172 -18.279 1.00 10.00 C ATOM 314 C GLY A 22 -14.331 -11.460 -17.591 1.00 10.00 C ATOM 315 O GLY A 22 -14.480 -10.984 -16.469 1.00 10.00 O ATOM 0 H GLY A 22 -16.987 -12.964 -17.044 1.00 10.00 H new ATOM 0 HA2 GLY A 22 -15.149 -12.636 -19.203 1.00 10.00 H new ATOM 0 HA3 GLY A 22 -16.262 -11.449 -18.552 1.00 10.00 H new ATOM 319 N PHE A 23 -13.194 -11.344 -18.280 1.00 10.00 N ATOM 320 CA PHE A 23 -11.998 -10.606 -17.845 1.00 10.00 C ATOM 321 C PHE A 23 -12.336 -9.283 -17.138 1.00 10.00 C ATOM 322 O PHE A 23 -12.056 -9.142 -15.954 1.00 10.00 O ATOM 323 CB PHE A 23 -11.093 -10.364 -19.073 1.00 10.00 C ATOM 324 CG PHE A 23 -9.620 -10.591 -18.827 1.00 10.00 C ATOM 325 CD1 PHE A 23 -9.176 -11.806 -18.281 1.00 10.00 C ATOM 326 CD2 PHE A 23 -8.680 -9.600 -19.154 1.00 10.00 C ATOM 327 CE1 PHE A 23 -7.810 -12.027 -18.045 1.00 10.00 C ATOM 328 CE2 PHE A 23 -7.311 -9.826 -18.942 1.00 10.00 C ATOM 329 CZ PHE A 23 -6.870 -11.040 -18.388 1.00 10.00 C ATOM 0 H PHE A 23 -13.073 -11.778 -19.195 1.00 10.00 H new ATOM 0 HA PHE A 23 -11.474 -11.211 -17.105 1.00 10.00 H new ATOM 0 HB2 PHE A 23 -11.418 -11.019 -19.881 1.00 10.00 H new ATOM 0 HB3 PHE A 23 -11.236 -9.340 -19.416 1.00 10.00 H new ATOM 0 HD1 PHE A 23 -9.892 -12.578 -18.040 1.00 10.00 H new ATOM 0 HD2 PHE A 23 -9.012 -8.660 -19.570 1.00 10.00 H new ATOM 0 HE1 PHE A 23 -7.482 -12.955 -17.600 1.00 10.00 H new ATOM 0 HE2 PHE A 23 -6.593 -9.063 -19.206 1.00 10.00 H new ATOM 0 HZ PHE A 23 -5.816 -11.213 -18.227 1.00 10.00 H new ATOM 339 N THR A 24 -13.042 -8.386 -17.837 1.00 10.00 N ATOM 340 CA THR A 24 -13.526 -7.077 -17.351 1.00 10.00 C ATOM 341 C THR A 24 -14.256 -7.206 -16.014 1.00 10.00 C ATOM 342 O THR A 24 -13.873 -6.596 -15.023 1.00 10.00 O ATOM 343 CB THR A 24 -14.447 -6.423 -18.410 1.00 10.00 C ATOM 344 OG1 THR A 24 -13.720 -5.543 -19.230 1.00 10.00 O ATOM 345 CG2 THR A 24 -15.641 -5.634 -17.850 1.00 10.00 C ATOM 0 H THR A 24 -13.308 -8.557 -18.807 1.00 10.00 H new ATOM 0 HA THR A 24 -12.658 -6.438 -17.190 1.00 10.00 H new ATOM 0 HB THR A 24 -14.845 -7.274 -18.962 1.00 10.00 H new ATOM 0 HG1 THR A 24 -14.320 -5.142 -19.893 1.00 10.00 H new ATOM 0 HG21 THR A 24 -16.221 -5.218 -18.674 1.00 10.00 H new ATOM 0 HG22 THR A 24 -16.273 -6.299 -17.262 1.00 10.00 H new ATOM 0 HG23 THR A 24 -15.278 -4.825 -17.217 1.00 10.00 H new ATOM 353 N PHE A 25 -15.316 -8.020 -15.976 1.00 10.00 N ATOM 354 CA PHE A 25 -16.057 -8.284 -14.754 1.00 10.00 C ATOM 355 C PHE A 25 -15.111 -8.740 -13.655 1.00 10.00 C ATOM 356 O PHE A 25 -15.167 -8.220 -12.551 1.00 10.00 O ATOM 357 CB PHE A 25 -17.130 -9.343 -15.021 1.00 10.00 C ATOM 358 CG PHE A 25 -17.705 -9.933 -13.750 1.00 10.00 C ATOM 359 CD1 PHE A 25 -18.688 -9.237 -13.026 1.00 10.00 C ATOM 360 CD2 PHE A 25 -17.198 -11.144 -13.244 1.00 10.00 C ATOM 361 CE1 PHE A 25 -19.216 -9.792 -11.848 1.00 10.00 C ATOM 362 CE2 PHE A 25 -17.713 -11.689 -12.059 1.00 10.00 C ATOM 363 CZ PHE A 25 -18.748 -11.030 -11.377 1.00 10.00 C ATOM 0 H PHE A 25 -15.678 -8.510 -16.794 1.00 10.00 H new ATOM 0 HA PHE A 25 -16.545 -7.367 -14.423 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -17.935 -8.898 -15.606 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -16.702 -10.143 -15.625 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -19.037 -8.276 -13.375 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -16.407 -11.657 -13.771 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -19.985 -9.265 -11.303 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -17.314 -12.615 -11.671 1.00 10.00 H new ATOM 0 HZ PHE A 25 -19.183 -11.473 -10.493 1.00 10.00 H new ATOM 373 N CYS A 26 -14.234 -9.691 -13.969 1.00 10.00 N ATOM 374 CA CYS A 26 -13.242 -10.171 -13.052 1.00 10.00 C ATOM 375 C CYS A 26 -12.322 -9.055 -12.581 1.00 10.00 C ATOM 376 O CYS A 26 -11.974 -9.049 -11.423 1.00 10.00 O ATOM 377 CB CYS A 26 -12.498 -11.347 -13.681 1.00 10.00 C ATOM 378 SG CYS A 26 -13.069 -12.889 -12.949 1.00 10.00 S ATOM 0 H CYS A 26 -14.204 -10.145 -14.882 1.00 10.00 H new ATOM 0 HA CYS A 26 -13.730 -10.535 -12.148 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -12.665 -11.361 -14.758 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -11.425 -11.235 -13.526 1.00 10.00 H new ATOM 383 N GLU A 27 -11.956 -8.105 -13.431 1.00 10.00 N ATOM 384 CA GLU A 27 -11.161 -6.923 -13.114 1.00 10.00 C ATOM 385 C GLU A 27 -11.910 -6.034 -12.124 1.00 10.00 C ATOM 386 O GLU A 27 -11.552 -6.002 -10.953 1.00 10.00 O ATOM 387 CB GLU A 27 -10.802 -6.198 -14.429 1.00 10.00 C ATOM 388 CG GLU A 27 -9.311 -6.311 -14.790 1.00 10.00 C ATOM 389 CD GLU A 27 -9.023 -6.665 -16.255 1.00 10.00 C ATOM 390 OE1 GLU A 27 -9.749 -7.534 -16.801 1.00 10.00 O ATOM 391 OE2 GLU A 27 -8.013 -6.179 -16.801 1.00 10.00 O ATOM 0 H GLU A 27 -12.220 -8.139 -14.416 1.00 10.00 H new ATOM 0 HA GLU A 27 -10.228 -7.204 -12.625 1.00 10.00 H new ATOM 0 HB2 GLU A 27 -11.399 -6.613 -15.241 1.00 10.00 H new ATOM 0 HB3 GLU A 27 -11.070 -5.145 -14.342 1.00 10.00 H new ATOM 0 HG2 GLU A 27 -8.824 -5.364 -14.558 1.00 10.00 H new ATOM 0 HG3 GLU A 27 -8.855 -7.068 -14.153 1.00 10.00 H new ATOM 398 N MET A 28 -13.017 -5.418 -12.552 1.00 10.00 N ATOM 399 CA MET A 28 -13.855 -4.564 -11.705 1.00 10.00 C ATOM 400 C MET A 28 -14.221 -5.227 -10.380 1.00 10.00 C ATOM 401 O MET A 28 -14.398 -4.553 -9.366 1.00 10.00 O ATOM 402 CB MET A 28 -15.166 -4.214 -12.423 1.00 10.00 C ATOM 403 CG MET A 28 -15.096 -2.887 -13.169 1.00 10.00 C ATOM 404 SD MET A 28 -14.398 -3.025 -14.831 1.00 10.00 S ATOM 405 CE MET A 28 -15.320 -1.693 -15.634 1.00 10.00 C ATOM 0 H MET A 28 -13.360 -5.500 -13.509 1.00 10.00 H new ATOM 0 HA MET A 28 -13.264 -3.671 -11.504 1.00 10.00 H new ATOM 0 HB2 MET A 28 -15.412 -5.009 -13.127 1.00 10.00 H new ATOM 0 HB3 MET A 28 -15.975 -4.173 -11.693 1.00 10.00 H new ATOM 0 HG2 MET A 28 -16.099 -2.466 -13.239 1.00 10.00 H new ATOM 0 HG3 MET A 28 -14.496 -2.185 -12.589 1.00 10.00 H new ATOM 0 HE1 MET A 28 -15.022 -1.623 -16.680 1.00 10.00 H new ATOM 0 HE2 MET A 28 -16.388 -1.902 -15.574 1.00 10.00 H new ATOM 0 HE3 MET A 28 -15.107 -0.749 -15.132 1.00 10.00 H new ATOM 415 N LYS A 29 -14.390 -6.552 -10.393 1.00 10.00 N ATOM 416 CA LYS A 29 -14.666 -7.317 -9.191 1.00 10.00 C ATOM 417 C LYS A 29 -13.421 -7.476 -8.323 1.00 10.00 C ATOM 418 O LYS A 29 -13.474 -7.121 -7.163 1.00 10.00 O ATOM 419 CB LYS A 29 -15.296 -8.659 -9.547 1.00 10.00 C ATOM 420 CG LYS A 29 -16.076 -9.179 -8.333 1.00 10.00 C ATOM 421 CD LYS A 29 -15.399 -10.401 -7.719 1.00 10.00 C ATOM 422 CE LYS A 29 -16.018 -10.687 -6.349 1.00 10.00 C ATOM 423 NZ LYS A 29 -16.448 -12.097 -6.236 1.00 10.00 N ATOM 0 H LYS A 29 -14.338 -7.117 -11.241 1.00 10.00 H new ATOM 0 HA LYS A 29 -15.387 -6.761 -8.592 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -15.961 -8.548 -10.403 1.00 10.00 H new ATOM 0 HB3 LYS A 29 -14.524 -9.374 -9.834 1.00 10.00 H new ATOM 0 HG2 LYS A 29 -16.155 -8.391 -7.585 1.00 10.00 H new ATOM 0 HG3 LYS A 29 -17.092 -9.436 -8.634 1.00 10.00 H new ATOM 0 HD2 LYS A 29 -15.520 -11.265 -8.373 1.00 10.00 H new ATOM 0 HD3 LYS A 29 -14.328 -10.225 -7.617 1.00 10.00 H new ATOM 0 HE2 LYS A 29 -15.293 -10.462 -5.566 1.00 10.00 H new ATOM 0 HE3 LYS A 29 -16.873 -10.030 -6.190 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 -16.863 -12.259 -5.296 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 -17.157 -12.303 -6.968 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 -15.626 -12.722 -6.364 1.00 10.00 H new ATOM 437 N CYS A 30 -12.341 -8.027 -8.862 1.00 10.00 N ATOM 438 CA CYS A 30 -11.024 -8.111 -8.229 1.00 10.00 C ATOM 439 C CYS A 30 -10.545 -6.775 -7.649 1.00 10.00 C ATOM 440 O CYS A 30 -9.790 -6.774 -6.682 1.00 10.00 O ATOM 441 CB CYS A 30 -10.000 -8.592 -9.250 1.00 10.00 C ATOM 442 SG CYS A 30 -10.116 -10.344 -9.655 1.00 10.00 S ATOM 0 H CYS A 30 -12.356 -8.446 -9.792 1.00 10.00 H new ATOM 0 HA CYS A 30 -11.121 -8.813 -7.400 1.00 10.00 H new ATOM 0 HB2 CYS A 30 -10.118 -8.012 -10.165 1.00 10.00 H new ATOM 0 HB3 CYS A 30 -9.000 -8.386 -8.868 1.00 10.00 H new ATOM 0 HG CYS A 30 -9.805 -11.052 -8.610 1.00 10.00 H new ATOM 447 N ASP A 31 -10.996 -5.665 -8.237 1.00 10.00 N ATOM 448 CA ASP A 31 -10.761 -4.295 -7.785 1.00 10.00 C ATOM 449 C ASP A 31 -11.365 -4.087 -6.395 1.00 10.00 C ATOM 450 O ASP A 31 -10.677 -3.831 -5.408 1.00 10.00 O ATOM 451 CB ASP A 31 -11.386 -3.322 -8.813 1.00 10.00 C ATOM 452 CG ASP A 31 -10.667 -1.976 -8.933 1.00 10.00 C ATOM 453 OD1 ASP A 31 -9.830 -1.659 -8.064 1.00 10.00 O ATOM 454 OD2 ASP A 31 -10.904 -1.314 -9.970 1.00 10.00 O ATOM 0 H ASP A 31 -11.563 -5.701 -9.084 1.00 10.00 H new ATOM 0 HA ASP A 31 -9.691 -4.103 -7.713 1.00 10.00 H new ATOM 0 HB2 ASP A 31 -11.395 -3.803 -9.791 1.00 10.00 H new ATOM 0 HB3 ASP A 31 -12.425 -3.141 -8.538 1.00 10.00 H new ATOM 459 N THR A 32 -12.690 -4.253 -6.321 1.00 10.00 N ATOM 460 CA THR A 32 -13.434 -4.124 -5.067 1.00 10.00 C ATOM 461 C THR A 32 -13.155 -5.304 -4.125 1.00 10.00 C ATOM 462 O THR A 32 -13.264 -5.136 -2.914 1.00 10.00 O ATOM 463 CB THR A 32 -14.942 -3.934 -5.349 1.00 10.00 C ATOM 464 OG1 THR A 32 -15.252 -2.584 -5.622 1.00 10.00 O ATOM 465 CG2 THR A 32 -15.893 -4.338 -4.219 1.00 10.00 C ATOM 0 H THR A 32 -13.273 -4.480 -7.126 1.00 10.00 H new ATOM 0 HA THR A 32 -13.086 -3.230 -4.549 1.00 10.00 H new ATOM 0 HB THR A 32 -15.099 -4.599 -6.198 1.00 10.00 H new ATOM 0 HG1 THR A 32 -16.212 -2.498 -5.798 1.00 10.00 H new ATOM 0 HG21 THR A 32 -16.923 -4.161 -4.529 1.00 10.00 H new ATOM 0 HG22 THR A 32 -15.759 -5.396 -3.991 1.00 10.00 H new ATOM 0 HG23 THR A 32 -15.675 -3.745 -3.331 1.00 10.00 H new ATOM 473 N ASP A 33 -12.789 -6.483 -4.643 1.00 10.00 N ATOM 474 CA ASP A 33 -12.451 -7.676 -3.877 1.00 10.00 C ATOM 475 C ASP A 33 -11.341 -7.385 -2.866 1.00 10.00 C ATOM 476 O ASP A 33 -11.572 -7.307 -1.655 1.00 10.00 O ATOM 477 CB ASP A 33 -12.024 -8.810 -4.822 1.00 10.00 C ATOM 478 CG ASP A 33 -11.606 -10.042 -4.033 1.00 10.00 C ATOM 479 OD1 ASP A 33 -12.529 -10.691 -3.489 1.00 10.00 O ATOM 480 OD2 ASP A 33 -10.393 -10.326 -4.019 1.00 10.00 O ATOM 0 H ASP A 33 -12.719 -6.632 -5.650 1.00 10.00 H new ATOM 0 HA ASP A 33 -13.338 -7.987 -3.326 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -12.848 -9.062 -5.490 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -11.197 -8.476 -5.448 1.00 10.00 H new ATOM 485 N CYS A 34 -10.126 -7.213 -3.387 1.00 10.00 N ATOM 486 CA CYS A 34 -8.971 -6.881 -2.594 1.00 10.00 C ATOM 487 C CYS A 34 -8.934 -5.366 -2.450 1.00 10.00 C ATOM 488 O CYS A 34 -8.379 -4.668 -3.281 1.00 10.00 O ATOM 489 CB CYS A 34 -7.704 -7.456 -3.222 1.00 10.00 C ATOM 490 SG CYS A 34 -6.404 -7.761 -1.997 1.00 10.00 S ATOM 0 H CYS A 34 -9.927 -7.304 -4.383 1.00 10.00 H new ATOM 0 HA CYS A 34 -9.031 -7.325 -1.600 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -7.945 -8.389 -3.732 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -7.332 -6.766 -3.979 1.00 10.00 H new ATOM 495 N SER A 35 -9.551 -4.840 -1.398 1.00 10.00 N ATOM 496 CA SER A 35 -9.555 -3.425 -1.069 1.00 10.00 C ATOM 497 C SER A 35 -9.491 -3.260 0.436 1.00 10.00 C ATOM 498 O SER A 35 -10.289 -3.814 1.198 1.00 10.00 O ATOM 499 CB SER A 35 -10.752 -2.703 -1.684 1.00 10.00 C ATOM 500 OG SER A 35 -10.273 -1.966 -2.792 1.00 10.00 O ATOM 0 H SER A 35 -10.077 -5.406 -0.732 1.00 10.00 H new ATOM 0 HA SER A 35 -8.672 -2.956 -1.504 1.00 10.00 H new ATOM 0 HB2 SER A 35 -11.513 -3.418 -1.998 1.00 10.00 H new ATOM 0 HB3 SER A 35 -11.218 -2.041 -0.954 1.00 10.00 H new ATOM 0 HG SER A 35 -10.376 -2.498 -3.608 1.00 10.00 H new ATOM 506 N VAL A 36 -8.468 -2.525 0.875 1.00 10.00 N ATOM 507 CA VAL A 36 -8.299 -2.159 2.269 1.00 10.00 C ATOM 508 C VAL A 36 -9.492 -1.344 2.754 1.00 10.00 C ATOM 509 O VAL A 36 -10.518 -1.187 2.085 1.00 10.00 O ATOM 510 CB VAL A 36 -6.954 -1.440 2.496 1.00 10.00 C ATOM 511 CG1 VAL A 36 -7.013 0.075 2.216 1.00 10.00 C ATOM 512 CG2 VAL A 36 -6.365 -1.755 3.886 1.00 10.00 C ATOM 0 H VAL A 36 -7.733 -2.168 0.264 1.00 10.00 H new ATOM 0 HA VAL A 36 -8.266 -3.068 2.870 1.00 10.00 H new ATOM 0 HB VAL A 36 -6.268 -1.845 1.753 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -6.033 0.517 2.396 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -7.302 0.242 1.178 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -7.746 0.539 2.876 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.418 -1.230 4.007 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -7.062 -1.430 4.659 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -6.199 -2.828 3.976 1.00 10.00 H new ATOM 522 N LYS A 37 -9.350 -0.796 3.954 1.00 10.00 N ATOM 523 CA LYS A 37 -10.341 0.091 4.531 1.00 10.00 C ATOM 524 C LYS A 37 -9.694 1.173 5.388 1.00 10.00 C ATOM 525 O LYS A 37 -8.554 1.035 5.827 1.00 10.00 O ATOM 526 CB LYS A 37 -11.375 -0.786 5.252 1.00 10.00 C ATOM 527 CG LYS A 37 -12.678 -0.034 5.543 1.00 10.00 C ATOM 528 CD LYS A 37 -13.898 -0.940 5.329 1.00 10.00 C ATOM 529 CE LYS A 37 -14.283 -0.990 3.837 1.00 10.00 C ATOM 530 NZ LYS A 37 -15.699 -0.596 3.638 1.00 10.00 N ATOM 0 H LYS A 37 -8.540 -0.957 4.553 1.00 10.00 H new ATOM 0 HA LYS A 37 -10.866 0.662 3.766 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -11.593 -1.662 4.641 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -10.951 -1.148 6.189 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -12.669 0.332 6.570 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -12.751 0.839 4.894 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -13.678 -1.946 5.687 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -14.739 -0.570 5.915 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -13.634 -0.325 3.268 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -14.125 -1.997 3.451 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -15.932 -0.638 2.625 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -16.317 -1.247 4.163 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -15.842 0.374 3.986 1.00 10.00 H new ATOM 544 N ASP A 38 -10.446 2.248 5.600 1.00 10.00 N ATOM 545 CA ASP A 38 -10.073 3.369 6.451 1.00 10.00 C ATOM 546 C ASP A 38 -10.391 3.017 7.902 1.00 10.00 C ATOM 547 O ASP A 38 -11.542 2.722 8.238 1.00 10.00 O ATOM 548 CB ASP A 38 -10.832 4.644 6.050 1.00 10.00 C ATOM 549 CG ASP A 38 -9.853 5.811 5.951 1.00 10.00 C ATOM 550 OD1 ASP A 38 -9.264 5.964 4.862 1.00 10.00 O ATOM 551 OD2 ASP A 38 -9.664 6.490 6.988 1.00 10.00 O ATOM 0 H ASP A 38 -11.363 2.365 5.169 1.00 10.00 H new ATOM 0 HA ASP A 38 -9.006 3.559 6.334 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -11.334 4.495 5.094 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -11.605 4.866 6.785 1.00 10.00 H new ATOM 556 N VAL A 39 -9.370 3.017 8.752 1.00 10.00 N ATOM 557 CA VAL A 39 -9.478 2.747 10.185 1.00 10.00 C ATOM 558 C VAL A 39 -8.665 3.840 10.871 1.00 10.00 C ATOM 559 O VAL A 39 -7.489 3.680 11.192 1.00 10.00 O ATOM 560 CB VAL A 39 -9.006 1.319 10.531 1.00 10.00 C ATOM 561 CG1 VAL A 39 -9.003 1.040 12.047 1.00 10.00 C ATOM 562 CG2 VAL A 39 -9.807 0.227 9.784 1.00 10.00 C ATOM 0 H VAL A 39 -8.413 3.211 8.455 1.00 10.00 H new ATOM 0 HA VAL A 39 -10.511 2.774 10.531 1.00 10.00 H new ATOM 0 HB VAL A 39 -7.974 1.271 10.184 1.00 10.00 H new ATOM 0 HG11 VAL A 39 -8.662 0.021 12.229 1.00 10.00 H new ATOM 0 HG12 VAL A 39 -8.333 1.741 12.545 1.00 10.00 H new ATOM 0 HG13 VAL A 39 -10.012 1.161 12.441 1.00 10.00 H new ATOM 0 HG21 VAL A 39 -9.432 -0.757 10.066 1.00 10.00 H new ATOM 0 HG22 VAL A 39 -10.861 0.303 10.050 1.00 10.00 H new ATOM 0 HG23 VAL A 39 -9.693 0.364 8.709 1.00 10.00 H new ATOM 572 N LYS A 40 -9.286 5.015 11.016 1.00 10.00 N ATOM 573 CA LYS A 40 -8.699 6.135 11.747 1.00 10.00 C ATOM 574 C LYS A 40 -8.192 5.683 13.118 1.00 10.00 C ATOM 575 O LYS A 40 -8.948 5.143 13.912 1.00 10.00 O ATOM 576 CB LYS A 40 -9.717 7.270 11.910 1.00 10.00 C ATOM 577 CG LYS A 40 -10.017 7.982 10.583 1.00 10.00 C ATOM 578 CD LYS A 40 -10.099 9.507 10.737 1.00 10.00 C ATOM 579 CE LYS A 40 -8.711 10.146 10.588 1.00 10.00 C ATOM 580 NZ LYS A 40 -8.040 10.351 11.896 1.00 10.00 N ATOM 0 H LYS A 40 -10.209 5.213 10.629 1.00 10.00 H new ATOM 0 HA LYS A 40 -7.853 6.506 11.169 1.00 10.00 H new ATOM 0 HB2 LYS A 40 -10.643 6.868 12.321 1.00 10.00 H new ATOM 0 HB3 LYS A 40 -9.337 7.995 12.630 1.00 10.00 H new ATOM 0 HG2 LYS A 40 -9.241 7.735 9.859 1.00 10.00 H new ATOM 0 HG3 LYS A 40 -10.959 7.610 10.180 1.00 10.00 H new ATOM 0 HD2 LYS A 40 -10.775 9.917 9.987 1.00 10.00 H new ATOM 0 HD3 LYS A 40 -10.516 9.757 11.713 1.00 10.00 H new ATOM 0 HE2 LYS A 40 -8.087 9.511 9.958 1.00 10.00 H new ATOM 0 HE3 LYS A 40 -8.808 11.104 10.078 1.00 10.00 H new ATOM 0 HZ1 LYS A 40 -7.198 10.947 11.765 1.00 10.00 H new ATOM 0 HZ2 LYS A 40 -8.696 10.818 12.553 1.00 10.00 H new ATOM 0 HZ3 LYS A 40 -7.754 9.431 12.288 1.00 10.00 H new ATOM 594 N GLU A 41 -6.955 6.069 13.419 1.00 10.00 N ATOM 595 CA GLU A 41 -6.229 5.702 14.646 1.00 10.00 C ATOM 596 C GLU A 41 -5.890 6.940 15.478 1.00 10.00 C ATOM 597 O GLU A 41 -4.812 7.120 16.038 1.00 10.00 O ATOM 598 CB GLU A 41 -4.990 4.865 14.287 1.00 10.00 C ATOM 599 CG GLU A 41 -5.298 3.366 14.331 1.00 10.00 C ATOM 600 CD GLU A 41 -5.333 2.873 15.788 1.00 10.00 C ATOM 601 OE1 GLU A 41 -6.273 3.274 16.512 1.00 10.00 O ATOM 602 OE2 GLU A 41 -4.396 2.140 16.172 1.00 10.00 O ATOM 0 H GLU A 41 -6.407 6.666 12.800 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.871 5.084 15.274 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -4.641 5.137 13.291 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -4.181 5.093 14.982 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -6.256 3.170 13.850 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -4.542 2.815 13.771 1.00 10.00 H new ATOM 609 N LYS A 42 -6.838 7.879 15.493 1.00 10.00 N ATOM 610 CA LYS A 42 -6.749 9.123 16.245 1.00 10.00 C ATOM 611 C LYS A 42 -8.057 9.345 16.990 1.00 10.00 C ATOM 612 O LYS A 42 -8.800 10.275 16.669 1.00 10.00 O ATOM 613 CB LYS A 42 -6.311 10.259 15.312 1.00 10.00 C ATOM 614 CG LYS A 42 -5.693 11.404 16.123 1.00 10.00 C ATOM 615 CD LYS A 42 -5.082 12.443 15.175 1.00 10.00 C ATOM 616 CE LYS A 42 -5.246 13.865 15.724 1.00 10.00 C ATOM 617 NZ LYS A 42 -3.980 14.404 16.280 1.00 10.00 N ATOM 0 H LYS A 42 -7.708 7.789 14.968 1.00 10.00 H new ATOM 0 HA LYS A 42 -5.979 9.084 17.015 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -5.587 9.885 14.587 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -7.168 10.626 14.747 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -6.454 11.872 16.747 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -4.926 11.015 16.793 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -4.024 12.227 15.030 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -5.559 12.371 14.198 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -5.599 14.521 14.928 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -6.011 13.866 16.501 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -4.141 15.367 16.639 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -3.655 13.795 17.058 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -3.256 14.429 15.534 1.00 10.00 H new ATOM 631 N LEU A 43 -8.352 8.407 17.895 1.00 10.00 N ATOM 632 CA LEU A 43 -9.519 8.485 18.760 1.00 10.00 C ATOM 633 C LEU A 43 -9.598 9.871 19.410 1.00 10.00 C ATOM 634 O LEU A 43 -8.581 10.555 19.559 1.00 10.00 O ATOM 635 CB LEU A 43 -9.537 7.324 19.780 1.00 10.00 C ATOM 636 CG LEU A 43 -8.622 7.521 21.016 1.00 10.00 C ATOM 637 CD1 LEU A 43 -9.396 7.440 22.338 1.00 10.00 C ATOM 638 CD2 LEU A 43 -7.457 6.532 21.016 1.00 10.00 C ATOM 0 H LEU A 43 -7.783 7.573 18.044 1.00 10.00 H new ATOM 0 HA LEU A 43 -10.422 8.364 18.162 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -10.561 7.179 20.125 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -9.240 6.408 19.270 1.00 10.00 H new ATOM 0 HG LEU A 43 -8.217 8.530 20.937 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -8.709 7.585 23.172 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -10.161 8.216 22.360 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -9.869 6.462 22.423 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -6.837 6.700 21.897 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -7.844 5.513 21.034 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -6.857 6.676 20.117 1.00 10.00 H new ATOM 650 N GLU A 44 -10.807 10.293 19.750 1.00 10.00 N ATOM 651 CA GLU A 44 -10.997 11.577 20.407 1.00 10.00 C ATOM 652 C GLU A 44 -10.502 11.537 21.856 1.00 10.00 C ATOM 653 O GLU A 44 -10.318 10.476 22.458 1.00 10.00 O ATOM 654 CB GLU A 44 -12.462 12.011 20.301 1.00 10.00 C ATOM 655 CG GLU A 44 -13.395 11.078 21.080 1.00 10.00 C ATOM 656 CD GLU A 44 -14.842 11.552 20.959 1.00 10.00 C ATOM 657 OE1 GLU A 44 -15.170 12.559 21.624 1.00 10.00 O ATOM 658 OE2 GLU A 44 -15.583 10.915 20.177 1.00 10.00 O ATOM 0 H GLU A 44 -11.666 9.769 19.583 1.00 10.00 H new ATOM 0 HA GLU A 44 -10.394 12.328 19.897 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -12.567 13.028 20.680 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -12.760 12.029 19.253 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -13.305 10.061 20.698 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -13.101 11.051 22.129 1.00 10.00 H new ATOM 665 N ASN A 45 -10.287 12.718 22.424 1.00 10.00 N ATOM 666 CA ASN A 45 -9.880 12.872 23.806 1.00 10.00 C ATOM 667 C ASN A 45 -10.683 13.996 24.442 1.00 10.00 C ATOM 668 O ASN A 45 -11.180 14.900 23.772 1.00 10.00 O ATOM 669 CB ASN A 45 -8.370 13.157 23.896 1.00 10.00 C ATOM 670 CG ASN A 45 -7.516 12.123 23.186 1.00 10.00 C ATOM 671 OD1 ASN A 45 -6.943 12.368 22.137 1.00 10.00 O ATOM 672 ND2 ASN A 45 -7.381 10.949 23.758 1.00 10.00 N ATOM 0 H ASN A 45 -10.393 13.603 21.928 1.00 10.00 H new ATOM 0 HA ASN A 45 -10.075 11.946 24.346 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -8.168 14.139 23.469 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -8.078 13.199 24.945 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -6.794 10.235 23.325 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -7.863 10.751 24.635 1.00 10.00 H new ATOM 679 N TYR A 46 -10.744 13.957 25.765 1.00 10.00 N ATOM 680 CA TYR A 46 -11.468 14.926 26.557 1.00 10.00 C ATOM 681 C TYR A 46 -10.693 15.229 27.832 1.00 10.00 C ATOM 682 O TYR A 46 -9.688 14.592 28.154 1.00 10.00 O ATOM 683 CB TYR A 46 -12.876 14.383 26.845 1.00 10.00 C ATOM 684 CG TYR A 46 -13.965 15.420 26.692 1.00 10.00 C ATOM 685 CD1 TYR A 46 -14.524 15.659 25.422 1.00 10.00 C ATOM 686 CD2 TYR A 46 -14.438 16.126 27.812 1.00 10.00 C ATOM 687 CE1 TYR A 46 -15.550 16.607 25.266 1.00 10.00 C ATOM 688 CE2 TYR A 46 -15.450 17.090 27.660 1.00 10.00 C ATOM 689 CZ TYR A 46 -15.999 17.341 26.384 1.00 10.00 C ATOM 690 OH TYR A 46 -16.944 18.305 26.240 1.00 10.00 O ATOM 0 H TYR A 46 -10.283 13.238 26.322 1.00 10.00 H new ATOM 0 HA TYR A 46 -11.574 15.865 26.014 1.00 10.00 H new ATOM 0 HB2 TYR A 46 -13.081 13.551 26.172 1.00 10.00 H new ATOM 0 HB3 TYR A 46 -12.903 13.986 27.860 1.00 10.00 H new ATOM 0 HD1 TYR A 46 -14.163 15.112 24.564 1.00 10.00 H new ATOM 0 HD2 TYR A 46 -14.024 15.928 28.790 1.00 10.00 H new ATOM 0 HE1 TYR A 46 -15.993 16.773 24.295 1.00 10.00 H new ATOM 0 HE2 TYR A 46 -15.807 17.638 28.519 1.00 10.00 H new ATOM 0 HH TYR A 46 -17.135 18.708 27.112 1.00 10.00 H new ATOM 700 N LYS A 47 -11.186 16.212 28.575 1.00 10.00 N ATOM 701 CA LYS A 47 -10.635 16.626 29.865 1.00 10.00 C ATOM 702 C LYS A 47 -11.629 16.364 30.997 1.00 10.00 C ATOM 703 O LYS A 47 -12.837 16.406 30.762 1.00 10.00 O ATOM 704 CB LYS A 47 -10.178 18.090 29.809 1.00 10.00 C ATOM 705 CG LYS A 47 -11.147 19.006 29.037 1.00 10.00 C ATOM 706 CD LYS A 47 -11.059 20.451 29.532 1.00 10.00 C ATOM 707 CE LYS A 47 -11.799 20.560 30.874 1.00 10.00 C ATOM 708 NZ LYS A 47 -11.123 21.496 31.801 1.00 10.00 N ATOM 0 H LYS A 47 -12.000 16.758 28.293 1.00 10.00 H new ATOM 0 HA LYS A 47 -9.754 16.022 30.080 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -10.066 18.467 30.826 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -9.195 18.138 29.341 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -10.915 18.969 27.973 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -12.167 18.641 29.154 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -10.017 20.747 29.651 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -11.501 21.128 28.801 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -12.821 20.896 30.699 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -11.862 19.574 31.335 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -11.652 21.542 32.695 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -10.156 21.162 31.988 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -11.085 22.443 31.372 1.00 10.00 H new ATOM 722 N PRO A 48 -11.136 16.141 32.227 1.00 10.00 N ATOM 723 CA PRO A 48 -11.996 15.963 33.379 1.00 10.00 C ATOM 724 C PRO A 48 -12.712 17.275 33.726 1.00 10.00 C ATOM 725 O PRO A 48 -12.385 18.358 33.216 1.00 10.00 O ATOM 726 CB PRO A 48 -11.095 15.428 34.498 1.00 10.00 C ATOM 727 CG PRO A 48 -9.671 15.821 34.103 1.00 10.00 C ATOM 728 CD PRO A 48 -9.739 16.210 32.629 1.00 10.00 C ATOM 0 HA PRO A 48 -12.803 15.253 33.197 1.00 10.00 H new ATOM 0 HB2 PRO A 48 -11.368 15.860 35.461 1.00 10.00 H new ATOM 0 HB3 PRO A 48 -11.191 14.347 34.595 1.00 10.00 H new ATOM 0 HG2 PRO A 48 -9.312 16.652 34.710 1.00 10.00 H new ATOM 0 HG3 PRO A 48 -8.980 14.992 34.257 1.00 10.00 H new ATOM 0 HD2 PRO A 48 -9.345 17.215 32.478 1.00 10.00 H new ATOM 0 HD3 PRO A 48 -9.132 15.536 32.025 1.00 10.00 H new ATOM 736 N LYS A 49 -13.700 17.164 34.612 1.00 10.00 N ATOM 737 CA LYS A 49 -14.455 18.277 35.190 1.00 10.00 C ATOM 738 C LYS A 49 -14.004 18.487 36.650 1.00 10.00 C ATOM 739 O LYS A 49 -13.320 17.619 37.181 1.00 10.00 O ATOM 740 CB LYS A 49 -15.960 17.988 34.992 1.00 10.00 C ATOM 741 CG LYS A 49 -16.516 16.854 35.878 1.00 10.00 C ATOM 742 CD LYS A 49 -17.128 17.427 37.158 1.00 10.00 C ATOM 743 CE LYS A 49 -18.485 18.086 36.939 1.00 10.00 C ATOM 744 NZ LYS A 49 -19.570 17.090 37.051 1.00 10.00 N ATOM 0 H LYS A 49 -14.010 16.258 34.962 1.00 10.00 H new ATOM 0 HA LYS A 49 -14.261 19.228 34.694 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -16.522 18.900 35.196 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -16.134 17.733 33.946 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -17.270 16.291 35.328 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -15.717 16.156 36.130 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -17.235 16.627 37.890 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -16.442 18.159 37.584 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -18.634 18.878 37.673 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -18.514 18.554 35.955 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -20.487 17.557 36.899 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -19.436 16.349 36.334 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -19.552 16.662 37.999 1.00 10.00 H new ATOM 758 N ASN A 50 -14.395 19.624 37.240 1.00 10.00 N ATOM 759 CA ASN A 50 -14.219 19.947 38.668 1.00 10.00 C ATOM 760 C ASN A 50 -14.534 18.759 39.598 1.00 10.00 C ATOM 761 O ASN A 50 -15.723 18.375 39.655 1.00 10.00 O ATOM 762 CB ASN A 50 -15.067 21.191 39.031 1.00 10.00 C ATOM 763 CG ASN A 50 -14.983 21.540 40.511 1.00 10.00 C ATOM 764 OD1 ASN A 50 -15.822 21.195 41.322 1.00 10.00 O ATOM 765 ND2 ASN A 50 -13.993 22.313 40.896 1.00 10.00 N ATOM 766 OXT ASN A 50 -13.558 18.269 40.191 1.00 10.00 O ATOM 0 H ASN A 50 -14.858 20.371 36.722 1.00 10.00 H new ATOM 0 HA ASN A 50 -13.164 20.173 38.826 1.00 10.00 H new ATOM 0 HB2 ASN A 50 -14.729 22.042 38.440 1.00 10.00 H new ATOM 0 HB3 ASN A 50 -16.107 21.009 38.762 1.00 10.00 H new ATOM 0 HD21 ASN A 50 -13.933 22.619 41.867 1.00 10.00 H new ATOM 0 HD22 ASN A 50 -13.285 22.608 40.224 1.00 10.00 H new TER 773 ASN A 50