USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 430 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 Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -32:sc= -0.726! USER MOD Single : A 10 TYR OH : rot 34:sc=0.000711 USER MOD Single : A 12 SER OG : rot 180:sc= 0.13 USER MOD Single : A 13 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.3!) USER MOD Single : A 14 SER OG : rot -40:sc= 0.00873 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -133:sc= -8.18! (180deg=-14.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 75:sc= -0.633 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -17:sc= 0.146 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 144:sc= -0.356 (180deg=-2.58!) USER MOD Single : A 39 THR OG1 : rot 114:sc= -3.3! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.288 K(o=-0.29,f=-4!) USER MOD Single : A 58 MET CE :methyl -167:sc= -0.0672 (180deg=-0.563) USER MOD Single : A 59 LYS NZ :NH3+ -124:sc= -0.0322 (180deg=-0.474) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 5 1.317 -31.956 5.992 1.00 0.00 N ATOM 61 CA ASP A 5 0.344 -31.543 7.046 1.00 0.00 C ATOM 62 C ASP A 5 -0.842 -30.807 6.417 1.00 0.00 C ATOM 63 O ASP A 5 -0.695 -29.740 5.855 1.00 0.00 O ATOM 64 CB ASP A 5 1.132 -30.607 7.963 1.00 0.00 C ATOM 65 CG ASP A 5 2.161 -31.416 8.753 1.00 0.00 C ATOM 66 OD1 ASP A 5 2.021 -32.627 8.804 1.00 0.00 O ATOM 67 OD2 ASP A 5 3.072 -30.812 9.294 1.00 0.00 O ATOM 0 HA ASP A 5 -0.066 -32.396 7.587 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.632 -29.839 7.373 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.455 -30.094 8.646 1.00 0.00 H new ATOM 72 N CYS A 6 -2.017 -31.366 6.513 1.00 0.00 N ATOM 73 CA CYS A 6 -3.212 -30.696 5.925 1.00 0.00 C ATOM 74 C CYS A 6 -3.905 -29.832 6.983 1.00 0.00 C ATOM 75 O CYS A 6 -3.738 -30.036 8.168 1.00 0.00 O ATOM 76 CB CYS A 6 -4.127 -31.838 5.479 1.00 0.00 C ATOM 77 SG CYS A 6 -3.173 -33.037 4.516 1.00 0.00 S ATOM 0 H CYS A 6 -2.202 -32.257 6.973 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.952 -30.037 5.097 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.570 -32.324 6.349 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.949 -31.446 4.880 1.00 0.00 H new ATOM 82 N CYS A 7 -4.684 -28.870 6.565 1.00 0.00 N ATOM 83 CA CYS A 7 -5.385 -28.001 7.549 1.00 0.00 C ATOM 84 C CYS A 7 -6.754 -28.594 7.893 1.00 0.00 C ATOM 85 O CYS A 7 -7.474 -29.057 7.032 1.00 0.00 O ATOM 86 CB CYS A 7 -5.564 -26.659 6.838 1.00 0.00 C ATOM 87 SG CYS A 7 -4.225 -25.527 7.297 1.00 0.00 S ATOM 0 H CYS A 7 -4.864 -28.650 5.585 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.827 -27.904 8.480 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.570 -26.809 5.758 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.527 -26.223 7.105 1.00 0.00 H new ATOM 92 N THR A 8 -7.124 -28.572 9.143 1.00 0.00 N ATOM 93 CA THR A 8 -8.453 -29.119 9.536 1.00 0.00 C ATOM 94 C THR A 8 -9.451 -27.968 9.669 1.00 0.00 C ATOM 95 O THR A 8 -10.650 -28.156 9.634 1.00 0.00 O ATOM 96 CB THR A 8 -8.223 -29.798 10.887 1.00 0.00 C ATOM 97 OG1 THR A 8 -9.423 -30.432 11.306 1.00 0.00 O ATOM 98 CG2 THR A 8 -7.811 -28.749 11.921 1.00 0.00 C ATOM 0 H THR A 8 -6.564 -28.199 9.910 1.00 0.00 H new ATOM 0 HA THR A 8 -8.857 -29.819 8.804 1.00 0.00 H new ATOM 0 HB THR A 8 -7.432 -30.542 10.791 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.277 -30.869 12.171 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.647 -29.232 12.884 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.891 -28.262 11.598 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.601 -28.004 12.019 1.00 0.00 H new ATOM 106 N SER A 9 -8.947 -26.774 9.811 1.00 0.00 N ATOM 107 CA SER A 9 -9.834 -25.585 9.939 1.00 0.00 C ATOM 108 C SER A 9 -9.049 -24.331 9.545 1.00 0.00 C ATOM 109 O SER A 9 -8.119 -24.397 8.767 1.00 0.00 O ATOM 110 CB SER A 9 -10.231 -25.535 11.414 1.00 0.00 C ATOM 111 OG SER A 9 -10.613 -26.832 11.846 1.00 0.00 O ATOM 0 H SER A 9 -7.948 -26.570 9.844 1.00 0.00 H new ATOM 0 HA SER A 9 -10.712 -25.640 9.296 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.397 -25.171 12.014 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.055 -24.835 11.556 1.00 0.00 H new ATOM 0 HG SER A 9 -11.027 -27.316 11.101 1.00 0.00 H new ATOM 117 N TYR A 10 -9.402 -23.196 10.076 1.00 0.00 N ATOM 118 CA TYR A 10 -8.657 -21.955 9.722 1.00 0.00 C ATOM 119 C TYR A 10 -8.651 -20.986 10.909 1.00 0.00 C ATOM 120 O TYR A 10 -9.466 -21.082 11.805 1.00 0.00 O ATOM 121 CB TYR A 10 -9.411 -21.360 8.532 1.00 0.00 C ATOM 122 CG TYR A 10 -9.407 -22.355 7.394 1.00 0.00 C ATOM 123 CD1 TYR A 10 -8.196 -22.750 6.809 1.00 0.00 C ATOM 124 CD2 TYR A 10 -10.615 -22.888 6.927 1.00 0.00 C ATOM 125 CE1 TYR A 10 -8.194 -23.678 5.761 1.00 0.00 C ATOM 126 CE2 TYR A 10 -10.613 -23.815 5.878 1.00 0.00 C ATOM 127 CZ TYR A 10 -9.403 -24.210 5.294 1.00 0.00 C ATOM 128 OH TYR A 10 -9.402 -25.124 4.261 1.00 0.00 O ATOM 0 H TYR A 10 -10.169 -23.072 10.736 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.614 -22.154 9.475 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.435 -21.120 8.818 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.941 -20.428 8.218 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.264 -22.338 7.167 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.549 -22.584 7.376 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.260 -23.984 5.312 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.545 -24.226 5.519 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.603 -25.688 4.324 1.00 0.00 H new ATOM 138 N ILE A 11 -7.734 -20.057 10.923 1.00 0.00 N ATOM 139 CA ILE A 11 -7.673 -19.090 12.054 1.00 0.00 C ATOM 140 C ILE A 11 -8.990 -18.311 12.140 1.00 0.00 C ATOM 141 O ILE A 11 -9.786 -18.321 11.223 1.00 0.00 O ATOM 142 CB ILE A 11 -6.495 -18.153 11.737 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.901 -17.143 10.657 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.285 -18.962 11.255 1.00 0.00 C ATOM 145 CD1 ILE A 11 -7.018 -17.850 9.305 1.00 0.00 C ATOM 0 H ILE A 11 -7.026 -19.927 10.201 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.531 -19.585 13.015 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.225 -17.618 12.647 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.852 -16.679 10.919 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.162 -16.344 10.597 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.459 -18.285 11.035 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.982 -19.662 12.033 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.552 -19.514 10.354 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.307 -17.128 8.541 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.057 -18.293 9.042 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.773 -18.633 9.368 1.00 0.00 H new ATOM 157 N SER A 12 -9.230 -17.639 13.234 1.00 0.00 N ATOM 158 CA SER A 12 -10.502 -16.868 13.366 1.00 0.00 C ATOM 159 C SER A 12 -10.271 -15.400 13.006 1.00 0.00 C ATOM 160 O SER A 12 -11.186 -14.600 13.000 1.00 0.00 O ATOM 161 CB SER A 12 -10.913 -17.004 14.835 1.00 0.00 C ATOM 162 OG SER A 12 -9.829 -17.514 15.597 1.00 0.00 O ATOM 0 H SER A 12 -8.605 -17.590 14.038 1.00 0.00 H new ATOM 0 HA SER A 12 -11.276 -17.242 12.696 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.219 -16.034 15.227 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.773 -17.668 14.921 1.00 0.00 H new ATOM 0 HG SER A 12 -10.099 -17.596 16.535 1.00 0.00 H new ATOM 168 N GLN A 13 -9.057 -15.040 12.703 1.00 0.00 N ATOM 169 CA GLN A 13 -8.765 -13.625 12.339 1.00 0.00 C ATOM 170 C GLN A 13 -7.695 -13.578 11.247 1.00 0.00 C ATOM 171 O GLN A 13 -7.253 -14.596 10.755 1.00 0.00 O ATOM 172 CB GLN A 13 -8.244 -12.983 13.625 1.00 0.00 C ATOM 173 CG GLN A 13 -6.976 -13.708 14.081 1.00 0.00 C ATOM 174 CD GLN A 13 -6.075 -12.733 14.841 1.00 0.00 C ATOM 175 OE1 GLN A 13 -5.964 -11.580 14.476 1.00 0.00 O ATOM 176 NE2 GLN A 13 -5.420 -13.151 15.888 1.00 0.00 N ATOM 0 H GLN A 13 -8.251 -15.665 12.691 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.643 -13.106 11.953 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.031 -11.927 13.457 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.005 -13.034 14.404 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.237 -14.552 14.720 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.446 -14.113 13.219 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.513 -14.119 16.195 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.815 -12.510 16.400 1.00 0.00 H new ATOM 185 N SER A 14 -7.273 -12.406 10.864 1.00 0.00 N ATOM 186 CA SER A 14 -6.230 -12.303 9.806 1.00 0.00 C ATOM 187 C SER A 14 -4.974 -13.067 10.235 1.00 0.00 C ATOM 188 O SER A 14 -4.617 -13.086 11.396 1.00 0.00 O ATOM 189 CB SER A 14 -5.935 -10.809 9.684 1.00 0.00 C ATOM 190 OG SER A 14 -6.636 -10.277 8.570 1.00 0.00 O ATOM 0 H SER A 14 -7.604 -11.516 11.237 1.00 0.00 H new ATOM 0 HA SER A 14 -6.556 -12.730 8.857 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.235 -10.293 10.596 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.864 -10.648 9.564 1.00 0.00 H new ATOM 0 HG SER A 14 -6.595 -10.911 7.824 1.00 0.00 H new ATOM 196 N ILE A 15 -4.300 -13.692 9.309 1.00 0.00 N ATOM 197 CA ILE A 15 -3.068 -14.448 9.671 1.00 0.00 C ATOM 198 C ILE A 15 -1.949 -13.468 10.032 1.00 0.00 C ATOM 199 O ILE A 15 -1.768 -12.462 9.375 1.00 0.00 O ATOM 200 CB ILE A 15 -2.695 -15.231 8.413 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.685 -16.381 8.210 1.00 0.00 C ATOM 202 CG2 ILE A 15 -1.276 -15.790 8.564 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.446 -17.460 9.268 1.00 0.00 C ATOM 0 H ILE A 15 -4.548 -13.712 8.320 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.221 -15.104 10.528 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.734 -14.569 7.548 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.708 -16.010 8.280 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.567 -16.804 7.212 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.008 -16.349 7.668 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.574 -14.968 8.703 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.236 -16.451 9.430 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.152 -18.277 9.121 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.428 -17.839 9.177 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.587 -17.033 10.261 1.00 0.00 H new ATOM 215 N PRO A 16 -1.230 -13.799 11.067 1.00 0.00 N ATOM 216 CA PRO A 16 -0.113 -12.939 11.521 1.00 0.00 C ATOM 217 C PRO A 16 1.100 -13.113 10.606 1.00 0.00 C ATOM 218 O PRO A 16 1.988 -13.893 10.883 1.00 0.00 O ATOM 219 CB PRO A 16 0.193 -13.461 12.920 1.00 0.00 C ATOM 220 CG PRO A 16 -0.277 -14.882 12.917 1.00 0.00 C ATOM 221 CD PRO A 16 -1.392 -14.991 11.906 1.00 0.00 C ATOM 0 HA PRO A 16 -0.358 -11.877 11.508 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.259 -13.399 13.140 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.324 -12.876 13.681 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.541 -15.555 12.660 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.628 -15.171 13.907 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.310 -15.906 11.319 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.369 -15.009 12.390 1.00 0.00 H new ATOM 229 N CYS A 17 1.153 -12.386 9.524 1.00 0.00 N ATOM 230 CA CYS A 17 2.324 -12.506 8.608 1.00 0.00 C ATOM 231 C CYS A 17 3.598 -12.132 9.371 1.00 0.00 C ATOM 232 O CYS A 17 4.672 -12.650 9.121 1.00 0.00 O ATOM 233 CB CYS A 17 2.082 -11.489 7.488 1.00 0.00 C ATOM 234 SG CYS A 17 0.405 -11.648 6.821 1.00 0.00 S ATOM 0 H CYS A 17 0.440 -11.717 9.235 1.00 0.00 H new ATOM 0 HA CYS A 17 2.438 -13.517 8.218 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.231 -10.479 7.870 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.810 -11.639 6.691 1.00 0.00 H new ATOM 239 N SER A 18 3.476 -11.225 10.306 1.00 0.00 N ATOM 240 CA SER A 18 4.662 -10.780 11.100 1.00 0.00 C ATOM 241 C SER A 18 5.156 -11.883 12.044 1.00 0.00 C ATOM 242 O SER A 18 6.033 -11.663 12.856 1.00 0.00 O ATOM 243 CB SER A 18 4.163 -9.580 11.903 1.00 0.00 C ATOM 244 OG SER A 18 5.143 -8.553 11.875 1.00 0.00 O ATOM 0 H SER A 18 2.598 -10.770 10.556 1.00 0.00 H new ATOM 0 HA SER A 18 5.506 -10.535 10.455 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.225 -9.214 11.486 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.960 -9.876 12.932 1.00 0.00 H new ATOM 0 HG SER A 18 4.824 -7.782 12.389 1.00 0.00 H new ATOM 250 N LEU A 19 4.610 -13.063 11.953 1.00 0.00 N ATOM 251 CA LEU A 19 5.062 -14.159 12.850 1.00 0.00 C ATOM 252 C LEU A 19 5.253 -15.447 12.049 1.00 0.00 C ATOM 253 O LEU A 19 5.105 -16.537 12.566 1.00 0.00 O ATOM 254 CB LEU A 19 3.932 -14.325 13.869 1.00 0.00 C ATOM 255 CG LEU A 19 4.317 -13.626 15.174 1.00 0.00 C ATOM 256 CD1 LEU A 19 3.514 -12.330 15.314 1.00 0.00 C ATOM 257 CD2 LEU A 19 4.005 -14.548 16.355 1.00 0.00 C ATOM 0 H LEU A 19 3.871 -13.315 11.296 1.00 0.00 H new ATOM 0 HA LEU A 19 6.015 -13.937 13.330 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.008 -13.901 13.476 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.745 -15.383 14.052 1.00 0.00 H new ATOM 0 HG LEU A 19 5.382 -13.395 15.163 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.788 -11.831 16.244 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.733 -11.674 14.472 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.449 -12.561 15.326 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.279 -14.052 17.286 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.940 -14.778 16.366 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.574 -15.472 16.255 1.00 0.00 H new ATOM 269 N MET A 20 5.581 -15.336 10.787 1.00 0.00 N ATOM 270 CA MET A 20 5.778 -16.569 9.970 1.00 0.00 C ATOM 271 C MET A 20 7.000 -16.419 9.063 1.00 0.00 C ATOM 272 O MET A 20 7.185 -15.412 8.408 1.00 0.00 O ATOM 273 CB MET A 20 4.517 -16.722 9.111 1.00 0.00 C ATOM 274 CG MET A 20 3.262 -16.296 9.886 1.00 0.00 C ATOM 275 SD MET A 20 2.674 -17.675 10.896 1.00 0.00 S ATOM 276 CE MET A 20 0.905 -17.320 10.747 1.00 0.00 C ATOM 0 H MET A 20 5.719 -14.455 10.292 1.00 0.00 H new ATOM 0 HA MET A 20 5.942 -17.438 10.608 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.613 -16.118 8.209 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.415 -17.759 8.791 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.488 -15.438 10.520 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.483 -15.983 9.191 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.440 -17.370 11.731 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.768 -16.322 10.332 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.441 -18.054 10.088 1.00 0.00 H new ATOM 286 N LYS A 21 7.831 -17.421 9.022 1.00 0.00 N ATOM 287 CA LYS A 21 9.044 -17.358 8.163 1.00 0.00 C ATOM 288 C LYS A 21 8.779 -18.026 6.807 1.00 0.00 C ATOM 289 O LYS A 21 9.272 -17.586 5.788 1.00 0.00 O ATOM 290 CB LYS A 21 10.119 -18.122 8.940 1.00 0.00 C ATOM 291 CG LYS A 21 11.271 -18.489 8.001 1.00 0.00 C ATOM 292 CD LYS A 21 12.587 -17.961 8.577 1.00 0.00 C ATOM 293 CE LYS A 21 13.695 -18.098 7.529 1.00 0.00 C ATOM 294 NZ LYS A 21 14.850 -18.682 8.269 1.00 0.00 N ATOM 0 H LYS A 21 7.721 -18.287 9.550 1.00 0.00 H new ATOM 0 HA LYS A 21 9.344 -16.332 7.951 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.489 -17.512 9.764 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.693 -19.024 9.378 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.324 -19.571 7.878 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.098 -18.064 7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.475 -16.917 8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.852 -18.517 9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.385 -18.744 6.707 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.951 -17.131 7.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.652 -18.807 7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.127 -18.042 9.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.578 -19.605 8.665 1.00 0.00 H new ATOM 308 N SER A 22 8.017 -19.091 6.782 1.00 0.00 N ATOM 309 CA SER A 22 7.753 -19.771 5.478 1.00 0.00 C ATOM 310 C SER A 22 6.459 -20.591 5.536 1.00 0.00 C ATOM 311 O SER A 22 6.315 -21.489 6.341 1.00 0.00 O ATOM 312 CB SER A 22 8.956 -20.690 5.266 1.00 0.00 C ATOM 313 OG SER A 22 9.423 -20.560 3.931 1.00 0.00 O ATOM 0 H SER A 22 7.572 -19.514 7.596 1.00 0.00 H new ATOM 0 HA SER A 22 7.627 -19.055 4.666 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.751 -20.434 5.967 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.676 -21.724 5.465 1.00 0.00 H new ATOM 0 HG SER A 22 10.195 -21.148 3.796 1.00 0.00 H new ATOM 319 N TYR A 23 5.522 -20.293 4.676 1.00 0.00 N ATOM 320 CA TYR A 23 4.240 -21.057 4.662 1.00 0.00 C ATOM 321 C TYR A 23 4.325 -22.191 3.633 1.00 0.00 C ATOM 322 O TYR A 23 5.250 -22.254 2.847 1.00 0.00 O ATOM 323 CB TYR A 23 3.178 -20.035 4.252 1.00 0.00 C ATOM 324 CG TYR A 23 3.332 -19.710 2.785 1.00 0.00 C ATOM 325 CD1 TYR A 23 2.727 -20.525 1.821 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.084 -18.598 2.390 1.00 0.00 C ATOM 327 CE1 TYR A 23 2.872 -20.227 0.461 1.00 0.00 C ATOM 328 CE2 TYR A 23 4.231 -18.301 1.030 1.00 0.00 C ATOM 329 CZ TYR A 23 3.625 -19.115 0.066 1.00 0.00 C ATOM 330 OH TYR A 23 3.770 -18.822 -1.274 1.00 0.00 O ATOM 0 H TYR A 23 5.589 -19.551 3.980 1.00 0.00 H new ATOM 0 HA TYR A 23 4.012 -21.513 5.625 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.182 -20.433 4.445 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.280 -19.129 4.849 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.148 -21.384 2.127 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.551 -17.969 3.134 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.403 -20.854 -0.283 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.812 -17.444 0.724 1.00 0.00 H new ATOM 0 HH TYR A 23 4.321 -18.018 -1.375 1.00 0.00 H new ATOM 340 N PHE A 24 3.371 -23.084 3.623 1.00 0.00 N ATOM 341 CA PHE A 24 3.415 -24.199 2.633 1.00 0.00 C ATOM 342 C PHE A 24 1.997 -24.648 2.267 1.00 0.00 C ATOM 343 O PHE A 24 1.080 -24.549 3.059 1.00 0.00 O ATOM 344 CB PHE A 24 4.200 -25.324 3.321 1.00 0.00 C ATOM 345 CG PHE A 24 3.301 -26.115 4.250 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.363 -27.015 3.726 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.419 -25.956 5.637 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.543 -27.753 4.589 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.599 -26.697 6.499 1.00 0.00 C ATOM 350 CZ PHE A 24 1.661 -27.595 5.973 1.00 0.00 C ATOM 0 H PHE A 24 2.569 -23.090 4.253 1.00 0.00 H new ATOM 0 HA PHE A 24 3.890 -23.901 1.698 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.628 -25.987 2.570 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.032 -24.902 3.885 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.273 -27.139 2.657 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.141 -25.263 6.042 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.819 -28.445 4.185 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.690 -26.576 7.568 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.029 -28.166 6.637 1.00 0.00 H new ATOM 360 N GLU A 25 1.814 -25.143 1.075 1.00 0.00 N ATOM 361 CA GLU A 25 0.458 -25.601 0.655 1.00 0.00 C ATOM 362 C GLU A 25 0.281 -27.082 0.990 1.00 0.00 C ATOM 363 O GLU A 25 1.194 -27.872 0.851 1.00 0.00 O ATOM 364 CB GLU A 25 0.419 -25.383 -0.858 1.00 0.00 C ATOM 365 CG GLU A 25 1.623 -26.075 -1.504 1.00 0.00 C ATOM 366 CD GLU A 25 1.137 -27.031 -2.596 1.00 0.00 C ATOM 367 OE1 GLU A 25 0.475 -27.998 -2.258 1.00 0.00 O ATOM 368 OE2 GLU A 25 1.437 -26.778 -3.752 1.00 0.00 O ATOM 0 H GLU A 25 2.545 -25.251 0.372 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.341 -25.061 1.163 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.508 -25.782 -1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.435 -24.317 -1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.297 -25.332 -1.930 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.188 -26.624 -0.750 1.00 0.00 H new ATOM 375 N THR A 26 -0.883 -27.467 1.433 1.00 0.00 N ATOM 376 CA THR A 26 -1.107 -28.898 1.778 1.00 0.00 C ATOM 377 C THR A 26 -1.202 -29.742 0.504 1.00 0.00 C ATOM 378 O THR A 26 -0.930 -29.276 -0.585 1.00 0.00 O ATOM 379 CB THR A 26 -2.433 -28.920 2.539 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.473 -28.457 1.689 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.334 -28.016 3.769 1.00 0.00 C ATOM 0 H THR A 26 -1.687 -26.854 1.571 1.00 0.00 H new ATOM 0 HA THR A 26 -0.291 -29.312 2.371 1.00 0.00 H new ATOM 0 HB THR A 26 -2.652 -29.939 2.858 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.699 -29.154 1.038 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.280 -28.033 4.310 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.537 -28.374 4.420 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.114 -26.996 3.454 1.00 0.00 H new ATOM 389 N SER A 27 -1.587 -30.982 0.633 1.00 0.00 N ATOM 390 CA SER A 27 -1.700 -31.859 -0.569 1.00 0.00 C ATOM 391 C SER A 27 -3.169 -32.029 -0.968 1.00 0.00 C ATOM 392 O SER A 27 -4.042 -32.123 -0.127 1.00 0.00 O ATOM 393 CB SER A 27 -1.103 -33.198 -0.137 1.00 0.00 C ATOM 394 OG SER A 27 0.162 -32.978 0.472 1.00 0.00 O ATOM 0 H SER A 27 -1.828 -31.427 1.519 1.00 0.00 H new ATOM 0 HA SER A 27 -1.185 -31.442 -1.434 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.773 -33.698 0.562 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.994 -33.855 -1.000 1.00 0.00 H new ATOM 0 HG SER A 27 0.545 -33.836 0.751 1.00 0.00 H new ATOM 400 N SER A 28 -3.448 -32.069 -2.242 1.00 0.00 N ATOM 401 CA SER A 28 -4.861 -32.230 -2.691 1.00 0.00 C ATOM 402 C SER A 28 -5.377 -33.626 -2.333 1.00 0.00 C ATOM 403 O SER A 28 -6.547 -33.921 -2.467 1.00 0.00 O ATOM 404 CB SER A 28 -4.821 -32.047 -4.208 1.00 0.00 C ATOM 405 OG SER A 28 -6.124 -32.232 -4.741 1.00 0.00 O ATOM 0 H SER A 28 -2.760 -31.997 -2.991 1.00 0.00 H new ATOM 0 HA SER A 28 -5.528 -31.513 -2.212 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.453 -31.051 -4.455 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.129 -32.762 -4.653 1.00 0.00 H new ATOM 0 HG SER A 28 -6.683 -32.698 -4.085 1.00 0.00 H new ATOM 411 N GLU A 29 -4.510 -34.482 -1.880 1.00 0.00 N ATOM 412 CA GLU A 29 -4.943 -35.860 -1.511 1.00 0.00 C ATOM 413 C GLU A 29 -5.735 -35.831 -0.202 1.00 0.00 C ATOM 414 O GLU A 29 -6.545 -36.697 0.066 1.00 0.00 O ATOM 415 CB GLU A 29 -3.646 -36.652 -1.337 1.00 0.00 C ATOM 416 CG GLU A 29 -3.786 -38.015 -2.019 1.00 0.00 C ATOM 417 CD GLU A 29 -3.207 -37.942 -3.433 1.00 0.00 C ATOM 418 OE1 GLU A 29 -1.999 -37.822 -3.552 1.00 0.00 O ATOM 419 OE2 GLU A 29 -3.982 -38.007 -4.373 1.00 0.00 O ATOM 0 H GLU A 29 -3.517 -34.289 -1.748 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.592 -36.305 -2.265 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.810 -36.101 -1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.427 -36.784 -0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.265 -38.778 -1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.835 -38.307 -2.059 1.00 0.00 H new ATOM 426 N CYS A 30 -5.507 -34.841 0.617 1.00 0.00 N ATOM 427 CA CYS A 30 -6.245 -34.755 1.909 1.00 0.00 C ATOM 428 C CYS A 30 -7.700 -34.351 1.661 1.00 0.00 C ATOM 429 O CYS A 30 -8.002 -33.616 0.742 1.00 0.00 O ATOM 430 CB CYS A 30 -5.514 -33.674 2.707 1.00 0.00 C ATOM 431 SG CYS A 30 -4.524 -34.451 4.008 1.00 0.00 S ATOM 0 H CYS A 30 -4.841 -34.087 0.447 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.268 -35.708 2.438 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.873 -33.090 2.047 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.233 -32.982 3.146 1.00 0.00 H new ATOM 436 N SER A 31 -8.604 -34.824 2.475 1.00 0.00 N ATOM 437 CA SER A 31 -10.041 -34.467 2.286 1.00 0.00 C ATOM 438 C SER A 31 -10.237 -32.958 2.438 1.00 0.00 C ATOM 439 O SER A 31 -11.279 -32.421 2.120 1.00 0.00 O ATOM 440 CB SER A 31 -10.787 -35.220 3.387 1.00 0.00 C ATOM 441 OG SER A 31 -12.160 -34.859 3.361 1.00 0.00 O ATOM 0 H SER A 31 -8.411 -35.442 3.263 1.00 0.00 H new ATOM 0 HA SER A 31 -10.404 -34.734 1.294 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.680 -36.295 3.244 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.356 -34.984 4.360 1.00 0.00 H new ATOM 0 HG SER A 31 -12.639 -35.343 4.066 1.00 0.00 H new ATOM 447 N LYS A 32 -9.242 -32.274 2.923 1.00 0.00 N ATOM 448 CA LYS A 32 -9.364 -30.798 3.099 1.00 0.00 C ATOM 449 C LYS A 32 -7.989 -30.135 2.984 1.00 0.00 C ATOM 450 O LYS A 32 -7.158 -30.274 3.859 1.00 0.00 O ATOM 451 CB LYS A 32 -9.933 -30.613 4.506 1.00 0.00 C ATOM 452 CG LYS A 32 -10.784 -29.343 4.546 1.00 0.00 C ATOM 453 CD LYS A 32 -11.513 -29.256 5.888 1.00 0.00 C ATOM 454 CE LYS A 32 -13.011 -29.066 5.642 1.00 0.00 C ATOM 455 NZ LYS A 32 -13.392 -30.183 4.733 1.00 0.00 N ATOM 0 H LYS A 32 -8.347 -32.672 3.207 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.999 -30.343 2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.537 -31.477 4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.123 -30.544 5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.153 -28.466 4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.505 -29.350 3.729 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.341 -30.163 6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.121 -28.424 6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.573 -29.106 6.575 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.217 -28.097 5.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.347 -30.516 4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.380 -29.849 3.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.715 -30.965 4.842 1.00 0.00 H new ATOM 469 N PRO A 33 -7.799 -29.431 1.902 1.00 0.00 N ATOM 470 CA PRO A 33 -6.512 -28.732 1.665 1.00 0.00 C ATOM 471 C PRO A 33 -6.394 -27.512 2.585 1.00 0.00 C ATOM 472 O PRO A 33 -7.110 -27.389 3.559 1.00 0.00 O ATOM 473 CB PRO A 33 -6.600 -28.305 0.203 1.00 0.00 C ATOM 474 CG PRO A 33 -8.065 -28.222 -0.088 1.00 0.00 C ATOM 475 CD PRO A 33 -8.754 -29.220 0.808 1.00 0.00 C ATOM 0 HA PRO A 33 -5.640 -29.354 1.869 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.111 -27.344 0.042 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.108 -29.027 -0.449 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.438 -27.215 0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.262 -28.445 -1.136 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.705 -28.836 1.177 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.969 -30.149 0.280 1.00 0.00 H new ATOM 483 N GLY A 34 -5.498 -26.611 2.286 1.00 0.00 N ATOM 484 CA GLY A 34 -5.345 -25.407 3.150 1.00 0.00 C ATOM 485 C GLY A 34 -3.882 -24.957 3.153 1.00 0.00 C ATOM 486 O GLY A 34 -2.988 -25.713 2.830 1.00 0.00 O ATOM 0 H GLY A 34 -4.868 -26.656 1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.982 -24.602 2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.668 -25.633 4.166 1.00 0.00 H new ATOM 490 N VAL A 35 -3.632 -23.731 3.521 1.00 0.00 N ATOM 491 CA VAL A 35 -2.229 -23.230 3.554 1.00 0.00 C ATOM 492 C VAL A 35 -1.774 -23.068 5.006 1.00 0.00 C ATOM 493 O VAL A 35 -2.306 -22.262 5.742 1.00 0.00 O ATOM 494 CB VAL A 35 -2.277 -21.870 2.855 1.00 0.00 C ATOM 495 CG1 VAL A 35 -0.962 -21.125 3.097 1.00 0.00 C ATOM 496 CG2 VAL A 35 -2.482 -22.072 1.352 1.00 0.00 C ATOM 0 H VAL A 35 -4.341 -23.053 3.801 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.530 -23.911 3.068 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.105 -21.286 3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.996 -20.156 2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.819 -20.978 4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.134 -21.710 2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.516 -21.102 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.656 -22.658 0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.420 -22.600 1.180 1.00 0.00 H new ATOM 506 N ILE A 36 -0.793 -23.819 5.427 1.00 0.00 N ATOM 507 CA ILE A 36 -0.322 -23.687 6.835 1.00 0.00 C ATOM 508 C ILE A 36 0.926 -22.811 6.879 1.00 0.00 C ATOM 509 O ILE A 36 1.872 -23.031 6.157 1.00 0.00 O ATOM 510 CB ILE A 36 0.003 -25.110 7.296 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.294 -25.840 7.650 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.911 -25.055 8.533 1.00 0.00 C ATOM 513 CD1 ILE A 36 -0.974 -27.107 8.448 1.00 0.00 C ATOM 0 H ILE A 36 -0.301 -24.512 4.863 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.070 -23.223 7.478 1.00 0.00 H new ATOM 0 HB ILE A 36 0.514 -25.642 6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.943 -25.186 8.233 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.836 -26.099 6.741 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.142 -26.069 8.860 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.836 -24.535 8.283 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.401 -24.522 9.335 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.901 -27.623 8.698 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.342 -27.764 7.850 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.451 -26.837 9.365 1.00 0.00 H new ATOM 525 N PHE A 37 0.943 -21.826 7.727 1.00 0.00 N ATOM 526 CA PHE A 37 2.149 -20.953 7.800 1.00 0.00 C ATOM 527 C PHE A 37 3.128 -21.515 8.832 1.00 0.00 C ATOM 528 O PHE A 37 2.735 -21.967 9.889 1.00 0.00 O ATOM 529 CB PHE A 37 1.632 -19.581 8.238 1.00 0.00 C ATOM 530 CG PHE A 37 0.906 -18.916 7.091 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.447 -19.197 6.865 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.583 -18.015 6.257 1.00 0.00 C ATOM 533 CE1 PHE A 37 -1.123 -18.579 5.806 1.00 0.00 C ATOM 534 CE2 PHE A 37 0.905 -17.395 5.200 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.448 -17.678 4.974 1.00 0.00 C ATOM 0 H PHE A 37 0.186 -21.587 8.367 1.00 0.00 H new ATOM 0 HA PHE A 37 2.678 -20.894 6.849 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.961 -19.690 9.090 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.463 -18.956 8.565 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.969 -19.890 7.508 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.627 -17.799 6.430 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.166 -18.798 5.631 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.425 -16.699 4.559 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.970 -17.201 4.158 1.00 0.00 H new ATOM 545 N LEU A 38 4.399 -21.489 8.540 1.00 0.00 N ATOM 546 CA LEU A 38 5.388 -22.022 9.516 1.00 0.00 C ATOM 547 C LEU A 38 6.046 -20.861 10.254 1.00 0.00 C ATOM 548 O LEU A 38 6.636 -19.990 9.650 1.00 0.00 O ATOM 549 CB LEU A 38 6.415 -22.777 8.672 1.00 0.00 C ATOM 550 CG LEU A 38 6.832 -24.058 9.398 1.00 0.00 C ATOM 551 CD1 LEU A 38 7.471 -23.701 10.741 1.00 0.00 C ATOM 552 CD2 LEU A 38 5.599 -24.932 9.638 1.00 0.00 C ATOM 0 H LEU A 38 4.793 -21.124 7.673 1.00 0.00 H new ATOM 0 HA LEU A 38 4.934 -22.670 10.266 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.992 -23.020 7.697 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.287 -22.148 8.493 1.00 0.00 H new ATOM 0 HG LEU A 38 7.552 -24.602 8.787 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.768 -24.614 11.257 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.349 -23.078 10.572 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.752 -23.156 11.353 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.895 -25.845 10.155 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.879 -24.386 10.248 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.143 -25.188 8.682 1.00 0.00 H new ATOM 564 N THR A 39 5.940 -20.834 11.554 1.00 0.00 N ATOM 565 CA THR A 39 6.551 -19.716 12.326 1.00 0.00 C ATOM 566 C THR A 39 7.986 -20.065 12.716 1.00 0.00 C ATOM 567 O THR A 39 8.308 -21.205 12.984 1.00 0.00 O ATOM 568 CB THR A 39 5.682 -19.565 13.578 1.00 0.00 C ATOM 569 OG1 THR A 39 6.024 -20.578 14.514 1.00 0.00 O ATOM 570 CG2 THR A 39 4.204 -19.694 13.203 1.00 0.00 C ATOM 0 H THR A 39 5.457 -21.537 12.114 1.00 0.00 H new ATOM 0 HA THR A 39 6.591 -18.794 11.745 1.00 0.00 H new ATOM 0 HB THR A 39 5.855 -18.584 14.020 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.426 -20.168 15.308 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.591 -19.586 14.098 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.941 -18.916 12.487 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.026 -20.673 12.757 1.00 0.00 H new ATOM 578 N LYS A 40 8.850 -19.090 12.746 1.00 0.00 N ATOM 579 CA LYS A 40 10.267 -19.367 13.120 1.00 0.00 C ATOM 580 C LYS A 40 10.346 -19.835 14.576 1.00 0.00 C ATOM 581 O LYS A 40 11.247 -20.557 14.958 1.00 0.00 O ATOM 582 CB LYS A 40 10.992 -18.032 12.946 1.00 0.00 C ATOM 583 CG LYS A 40 12.491 -18.234 13.178 1.00 0.00 C ATOM 584 CD LYS A 40 13.200 -18.399 11.832 1.00 0.00 C ATOM 585 CE LYS A 40 14.638 -18.863 12.068 1.00 0.00 C ATOM 586 NZ LYS A 40 15.460 -17.625 11.969 1.00 0.00 N ATOM 0 H LYS A 40 8.639 -18.116 12.529 1.00 0.00 H new ATOM 0 HA LYS A 40 10.710 -20.153 12.508 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.818 -17.639 11.945 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.599 -17.298 13.650 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.904 -17.381 13.716 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.658 -19.114 13.799 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.669 -19.124 11.215 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.196 -17.454 11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.746 -19.332 13.046 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.942 -19.600 11.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.462 -17.860 12.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.341 -17.204 11.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.152 -16.945 12.693 1.00 0.00 H new ATOM 600 N LYS A 41 9.410 -19.432 15.391 1.00 0.00 N ATOM 601 CA LYS A 41 9.431 -19.853 16.823 1.00 0.00 C ATOM 602 C LYS A 41 9.090 -21.340 16.948 1.00 0.00 C ATOM 603 O LYS A 41 9.107 -21.903 18.025 1.00 0.00 O ATOM 604 CB LYS A 41 8.358 -19.001 17.501 1.00 0.00 C ATOM 605 CG LYS A 41 8.941 -18.354 18.759 1.00 0.00 C ATOM 606 CD LYS A 41 9.284 -16.893 18.466 1.00 0.00 C ATOM 607 CE LYS A 41 8.166 -15.992 18.996 1.00 0.00 C ATOM 608 NZ LYS A 41 8.851 -14.731 19.397 1.00 0.00 N ATOM 0 H LYS A 41 8.631 -18.829 15.128 1.00 0.00 H new ATOM 0 HA LYS A 41 10.412 -19.715 17.277 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.002 -18.232 16.815 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.499 -19.619 17.762 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.224 -18.414 19.578 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.834 -18.892 19.078 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.232 -16.629 18.935 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.407 -16.745 17.393 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.412 -15.806 18.231 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.656 -16.451 19.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.151 -14.060 19.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.559 -14.938 20.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.322 -14.314 18.569 1.00 0.00 H new ATOM 622 N GLY A 42 8.777 -21.977 15.856 1.00 0.00 N ATOM 623 CA GLY A 42 8.430 -23.425 15.912 1.00 0.00 C ATOM 624 C GLY A 42 6.920 -23.576 16.105 1.00 0.00 C ATOM 625 O GLY A 42 6.461 -24.102 17.100 1.00 0.00 O ATOM 0 H GLY A 42 8.746 -21.559 14.926 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.742 -23.921 14.993 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.963 -23.907 16.732 1.00 0.00 H new ATOM 629 N ARG A 43 6.141 -23.116 15.163 1.00 0.00 N ATOM 630 CA ARG A 43 4.659 -23.229 15.293 1.00 0.00 C ATOM 631 C ARG A 43 4.019 -23.367 13.908 1.00 0.00 C ATOM 632 O ARG A 43 4.690 -23.307 12.897 1.00 0.00 O ATOM 633 CB ARG A 43 4.222 -21.925 15.962 1.00 0.00 C ATOM 634 CG ARG A 43 3.243 -22.233 17.096 1.00 0.00 C ATOM 635 CD ARG A 43 3.656 -21.460 18.352 1.00 0.00 C ATOM 636 NE ARG A 43 3.694 -22.482 19.435 1.00 0.00 N ATOM 637 CZ ARG A 43 2.684 -22.603 20.255 1.00 0.00 C ATOM 638 NH1 ARG A 43 1.484 -22.813 19.785 1.00 0.00 N ATOM 639 NH2 ARG A 43 2.874 -22.513 21.543 1.00 0.00 N ATOM 0 H ARG A 43 6.467 -22.666 14.308 1.00 0.00 H new ATOM 0 HA ARG A 43 4.357 -24.103 15.870 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.091 -21.396 16.352 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.751 -21.269 15.230 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.231 -21.956 16.802 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.233 -23.303 17.302 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.629 -20.986 18.222 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.943 -20.668 18.581 1.00 0.00 H new ATOM 0 HE ARG A 43 4.509 -23.087 19.536 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.336 -22.883 18.778 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.695 -22.908 20.425 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.811 -22.348 21.910 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.085 -22.608 22.183 1.00 0.00 H new ATOM 653 N GLN A 44 2.727 -23.556 13.849 1.00 0.00 N ATOM 654 CA GLN A 44 2.059 -23.701 12.520 1.00 0.00 C ATOM 655 C GLN A 44 0.637 -23.135 12.563 1.00 0.00 C ATOM 656 O GLN A 44 -0.106 -23.363 13.496 1.00 0.00 O ATOM 657 CB GLN A 44 2.020 -25.206 12.247 1.00 0.00 C ATOM 658 CG GLN A 44 3.339 -25.850 12.682 1.00 0.00 C ATOM 659 CD GLN A 44 3.321 -27.338 12.331 1.00 0.00 C ATOM 660 OE1 GLN A 44 4.279 -27.859 11.796 1.00 0.00 O ATOM 661 NE2 GLN A 44 2.262 -28.048 12.609 1.00 0.00 N ATOM 0 H GLN A 44 2.108 -23.616 14.657 1.00 0.00 H new ATOM 0 HA GLN A 44 2.593 -23.156 11.742 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.189 -25.660 12.786 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.849 -25.387 11.186 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.176 -25.359 12.186 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.483 -25.720 13.755 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.458 -27.610 13.058 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.238 -29.041 12.377 1.00 0.00 H new ATOM 670 N VAL A 45 0.252 -22.413 11.547 1.00 0.00 N ATOM 671 CA VAL A 45 -1.124 -21.843 11.509 1.00 0.00 C ATOM 672 C VAL A 45 -1.901 -22.469 10.352 1.00 0.00 C ATOM 673 O VAL A 45 -1.333 -23.125 9.501 1.00 0.00 O ATOM 674 CB VAL A 45 -0.933 -20.345 11.277 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.301 -19.675 11.117 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.202 -19.736 12.475 1.00 0.00 C ATOM 0 H VAL A 45 0.834 -22.193 10.739 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.683 -22.038 12.424 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.345 -20.187 10.373 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.166 -18.606 10.951 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.822 -20.111 10.265 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.890 -19.830 12.021 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.064 -18.667 12.312 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.791 -19.893 13.379 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.771 -20.214 12.589 1.00 0.00 H new ATOM 686 N CYS A 46 -3.191 -22.269 10.304 1.00 0.00 N ATOM 687 CA CYS A 46 -3.993 -22.861 9.191 1.00 0.00 C ATOM 688 C CYS A 46 -4.922 -21.798 8.610 1.00 0.00 C ATOM 689 O CYS A 46 -5.778 -21.278 9.290 1.00 0.00 O ATOM 690 CB CYS A 46 -4.807 -23.984 9.841 1.00 0.00 C ATOM 691 SG CYS A 46 -4.165 -25.595 9.315 1.00 0.00 S ATOM 0 H CYS A 46 -3.723 -21.724 10.983 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.370 -23.232 8.377 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.757 -23.900 10.927 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.857 -23.892 9.562 1.00 0.00 H new ATOM 696 N ALA A 47 -4.756 -21.464 7.362 1.00 0.00 N ATOM 697 CA ALA A 47 -5.632 -20.423 6.756 1.00 0.00 C ATOM 698 C ALA A 47 -6.316 -20.958 5.496 1.00 0.00 C ATOM 699 O ALA A 47 -5.924 -21.966 4.943 1.00 0.00 O ATOM 700 CB ALA A 47 -4.689 -19.273 6.403 1.00 0.00 C ATOM 0 H ALA A 47 -4.056 -21.864 6.737 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.427 -20.113 7.435 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.258 -18.462 5.949 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.201 -18.912 7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.934 -19.624 5.699 1.00 0.00 H new ATOM 706 N LYS A 48 -7.338 -20.286 5.042 1.00 0.00 N ATOM 707 CA LYS A 48 -8.053 -20.745 3.818 1.00 0.00 C ATOM 708 C LYS A 48 -7.210 -20.453 2.574 1.00 0.00 C ATOM 709 O LYS A 48 -6.136 -19.893 2.669 1.00 0.00 O ATOM 710 CB LYS A 48 -9.345 -19.927 3.791 1.00 0.00 C ATOM 711 CG LYS A 48 -10.533 -20.835 4.117 1.00 0.00 C ATOM 712 CD LYS A 48 -11.657 -19.997 4.731 1.00 0.00 C ATOM 713 CE LYS A 48 -12.992 -20.721 4.544 1.00 0.00 C ATOM 714 NZ LYS A 48 -14.019 -19.640 4.560 1.00 0.00 N ATOM 0 H LYS A 48 -7.710 -19.437 5.467 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.246 -21.818 3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.287 -19.113 4.513 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.480 -19.473 2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.886 -21.330 3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.227 -21.618 4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.465 -19.833 5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.694 -19.016 4.258 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.014 -21.273 3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.165 -21.443 5.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.964 -20.057 4.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.979 -19.136 5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.832 -18.972 3.785 1.00 0.00 H new ATOM 728 N PRO A 49 -7.730 -20.844 1.442 1.00 0.00 N ATOM 729 CA PRO A 49 -7.019 -20.619 0.160 1.00 0.00 C ATOM 730 C PRO A 49 -7.050 -19.134 -0.216 1.00 0.00 C ATOM 731 O PRO A 49 -6.094 -18.597 -0.738 1.00 0.00 O ATOM 732 CB PRO A 49 -7.818 -21.447 -0.841 1.00 0.00 C ATOM 733 CG PRO A 49 -9.187 -21.554 -0.246 1.00 0.00 C ATOM 734 CD PRO A 49 -9.016 -21.525 1.251 1.00 0.00 C ATOM 0 HA PRO A 49 -5.967 -20.901 0.198 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.848 -20.964 -1.818 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.372 -22.431 -0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.818 -20.730 -0.579 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.674 -22.477 -0.561 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.830 -20.987 1.736 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.003 -22.530 1.672 1.00 0.00 H new ATOM 742 N SER A 50 -8.144 -18.469 0.042 1.00 0.00 N ATOM 743 CA SER A 50 -8.234 -17.021 -0.304 1.00 0.00 C ATOM 744 C SER A 50 -8.528 -16.191 0.947 1.00 0.00 C ATOM 745 O SER A 50 -9.088 -15.115 0.872 1.00 0.00 O ATOM 746 CB SER A 50 -9.396 -16.922 -1.295 1.00 0.00 C ATOM 747 OG SER A 50 -8.922 -17.180 -2.608 1.00 0.00 O ATOM 0 H SER A 50 -8.978 -18.865 0.476 1.00 0.00 H new ATOM 0 HA SER A 50 -7.303 -16.641 -0.724 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.175 -17.637 -1.031 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.845 -15.930 -1.247 1.00 0.00 H new ATOM 0 HG SER A 50 -9.666 -17.118 -3.242 1.00 0.00 H new ATOM 753 N GLY A 51 -8.157 -16.679 2.098 1.00 0.00 N ATOM 754 CA GLY A 51 -8.419 -15.914 3.349 1.00 0.00 C ATOM 755 C GLY A 51 -7.973 -14.462 3.158 1.00 0.00 C ATOM 756 O GLY A 51 -6.988 -14.196 2.496 1.00 0.00 O ATOM 0 H GLY A 51 -7.684 -17.574 2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.480 -15.951 3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.882 -16.365 4.184 1.00 0.00 H new ATOM 760 N PRO A 52 -8.718 -13.569 3.749 1.00 0.00 N ATOM 761 CA PRO A 52 -8.403 -12.123 3.647 1.00 0.00 C ATOM 762 C PRO A 52 -7.146 -11.791 4.455 1.00 0.00 C ATOM 763 O PRO A 52 -7.216 -11.449 5.620 1.00 0.00 O ATOM 764 CB PRO A 52 -9.634 -11.446 4.244 1.00 0.00 C ATOM 765 CG PRO A 52 -10.233 -12.471 5.154 1.00 0.00 C ATOM 766 CD PRO A 52 -9.913 -13.819 4.564 1.00 0.00 C ATOM 0 HA PRO A 52 -8.199 -11.798 2.627 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.362 -10.543 4.791 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.338 -11.148 3.466 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.822 -12.382 6.160 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.311 -12.331 5.237 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.720 -14.560 5.340 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.738 -14.197 3.960 1.00 0.00 H new ATOM 774 N GLY A 53 -5.997 -11.889 3.843 1.00 0.00 N ATOM 775 CA GLY A 53 -4.734 -11.580 4.572 1.00 0.00 C ATOM 776 C GLY A 53 -3.750 -12.742 4.400 1.00 0.00 C ATOM 777 O GLY A 53 -2.555 -12.583 4.552 1.00 0.00 O ATOM 0 H GLY A 53 -5.878 -12.170 2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.296 -10.658 4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.942 -11.418 5.630 1.00 0.00 H new ATOM 781 N VAL A 54 -4.244 -13.908 4.085 1.00 0.00 N ATOM 782 CA VAL A 54 -3.338 -15.080 3.902 1.00 0.00 C ATOM 783 C VAL A 54 -2.357 -14.814 2.763 1.00 0.00 C ATOM 784 O VAL A 54 -1.189 -15.138 2.850 1.00 0.00 O ATOM 785 CB VAL A 54 -4.264 -16.244 3.553 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.428 -17.474 3.196 1.00 0.00 C ATOM 787 CG2 VAL A 54 -5.156 -16.563 4.754 1.00 0.00 C ATOM 0 H VAL A 54 -5.236 -14.101 3.946 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.742 -15.286 4.791 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.886 -15.970 2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.090 -18.304 2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.793 -17.246 2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.804 -17.750 4.047 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.817 -17.393 4.506 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.534 -16.836 5.607 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.753 -15.687 5.007 1.00 0.00 H new ATOM 797 N GLN A 55 -2.816 -14.220 1.699 1.00 0.00 N ATOM 798 CA GLN A 55 -1.893 -13.933 0.568 1.00 0.00 C ATOM 799 C GLN A 55 -0.885 -12.876 1.007 1.00 0.00 C ATOM 800 O GLN A 55 0.232 -12.830 0.532 1.00 0.00 O ATOM 801 CB GLN A 55 -2.782 -13.405 -0.558 1.00 0.00 C ATOM 802 CG GLN A 55 -2.431 -14.127 -1.862 1.00 0.00 C ATOM 803 CD GLN A 55 -1.043 -13.689 -2.331 1.00 0.00 C ATOM 804 OE1 GLN A 55 -0.694 -12.530 -2.239 1.00 0.00 O ATOM 805 NE2 GLN A 55 -0.228 -14.577 -2.834 1.00 0.00 N ATOM 0 H GLN A 55 -3.782 -13.923 1.563 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.332 -14.810 0.245 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.832 -13.564 -0.312 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.641 -12.330 -0.675 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.451 -15.206 -1.709 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.173 -13.900 -2.627 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.520 -15.551 -2.912 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.701 -14.296 -3.149 1.00 0.00 H new ATOM 814 N ASP A 56 -1.265 -12.039 1.932 1.00 0.00 N ATOM 815 CA ASP A 56 -0.325 -11.005 2.426 1.00 0.00 C ATOM 816 C ASP A 56 0.809 -11.685 3.189 1.00 0.00 C ATOM 817 O ASP A 56 1.965 -11.333 3.049 1.00 0.00 O ATOM 818 CB ASP A 56 -1.159 -10.125 3.354 1.00 0.00 C ATOM 819 CG ASP A 56 -1.623 -8.880 2.597 1.00 0.00 C ATOM 820 OD1 ASP A 56 -1.572 -8.897 1.378 1.00 0.00 O ATOM 821 OD2 ASP A 56 -2.024 -7.930 3.249 1.00 0.00 O ATOM 0 H ASP A 56 -2.188 -12.030 2.365 1.00 0.00 H new ATOM 0 HA ASP A 56 0.127 -10.419 1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.021 -10.681 3.723 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.570 -9.836 4.224 1.00 0.00 H new ATOM 826 N CYS A 57 0.492 -12.676 3.983 1.00 0.00 N ATOM 827 CA CYS A 57 1.564 -13.387 4.732 1.00 0.00 C ATOM 828 C CYS A 57 2.487 -14.090 3.739 1.00 0.00 C ATOM 829 O CYS A 57 3.694 -14.062 3.866 1.00 0.00 O ATOM 830 CB CYS A 57 0.841 -14.419 5.600 1.00 0.00 C ATOM 831 SG CYS A 57 -0.025 -13.611 6.975 1.00 0.00 S ATOM 0 H CYS A 57 -0.455 -13.019 4.142 1.00 0.00 H new ATOM 0 HA CYS A 57 2.170 -12.711 5.335 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.128 -14.976 4.992 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.559 -15.140 5.990 1.00 0.00 H new ATOM 836 N MET A 58 1.920 -14.721 2.746 1.00 0.00 N ATOM 837 CA MET A 58 2.757 -15.426 1.738 1.00 0.00 C ATOM 838 C MET A 58 3.527 -14.419 0.883 1.00 0.00 C ATOM 839 O MET A 58 4.561 -14.728 0.324 1.00 0.00 O ATOM 840 CB MET A 58 1.773 -16.203 0.874 1.00 0.00 C ATOM 841 CG MET A 58 0.887 -17.078 1.763 1.00 0.00 C ATOM 842 SD MET A 58 -0.688 -17.389 0.925 1.00 0.00 S ATOM 843 CE MET A 58 -0.103 -18.701 -0.177 1.00 0.00 C ATOM 0 H MET A 58 0.913 -14.778 2.591 1.00 0.00 H new ATOM 0 HA MET A 58 3.495 -16.077 2.208 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.157 -15.513 0.297 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.313 -16.823 0.159 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.389 -18.021 1.979 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.712 -16.584 2.719 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.850 -18.888 -0.948 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.832 -18.393 -0.645 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.061 -19.612 0.398 1.00 0.00 H new ATOM 853 N LYS A 59 3.036 -13.213 0.773 1.00 0.00 N ATOM 854 CA LYS A 59 3.752 -12.200 -0.048 1.00 0.00 C ATOM 855 C LYS A 59 5.079 -11.869 0.623 1.00 0.00 C ATOM 856 O LYS A 59 6.140 -12.041 0.057 1.00 0.00 O ATOM 857 CB LYS A 59 2.834 -10.977 -0.064 1.00 0.00 C ATOM 858 CG LYS A 59 3.012 -10.218 -1.380 1.00 0.00 C ATOM 859 CD LYS A 59 1.711 -10.279 -2.183 1.00 0.00 C ATOM 860 CE LYS A 59 1.947 -9.705 -3.582 1.00 0.00 C ATOM 861 NZ LYS A 59 2.680 -10.774 -4.316 1.00 0.00 N ATOM 0 H LYS A 59 2.175 -12.889 1.214 1.00 0.00 H new ATOM 0 HA LYS A 59 3.969 -12.546 -1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.796 -11.288 0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.066 -10.325 0.778 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.281 -9.181 -1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.828 -10.654 -1.956 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.364 -11.310 -2.255 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.930 -9.714 -1.674 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.005 -9.463 -4.074 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.530 -8.785 -3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.574 -10.391 -4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.882 -11.563 -3.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.097 -11.115 -5.106 1.00 0.00 H new ATOM 875 N LYS A 60 5.023 -11.407 1.838 1.00 0.00 N ATOM 876 CA LYS A 60 6.278 -11.077 2.567 1.00 0.00 C ATOM 877 C LYS A 60 7.012 -12.366 2.951 1.00 0.00 C ATOM 878 O LYS A 60 8.168 -12.344 3.327 1.00 0.00 O ATOM 879 CB LYS A 60 5.826 -10.321 3.815 1.00 0.00 C ATOM 880 CG LYS A 60 7.003 -10.183 4.782 1.00 0.00 C ATOM 881 CD LYS A 60 8.026 -9.202 4.203 1.00 0.00 C ATOM 882 CE LYS A 60 7.532 -7.769 4.407 1.00 0.00 C ATOM 883 NZ LYS A 60 8.770 -6.940 4.456 1.00 0.00 N ATOM 0 H LYS A 60 4.162 -11.243 2.359 1.00 0.00 H new ATOM 0 HA LYS A 60 6.966 -10.485 1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.450 -9.336 3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.005 -10.852 4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.652 -9.829 5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.468 -11.155 4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.992 -9.338 4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.174 -9.399 3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.879 -7.456 3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.958 -7.676 5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.514 -5.942 4.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.369 -7.256 5.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.292 -7.043 3.563 1.00 0.00 H new ATOM 897 N LEU A 61 6.347 -13.489 2.869 1.00 0.00 N ATOM 898 CA LEU A 61 7.006 -14.774 3.240 1.00 0.00 C ATOM 899 C LEU A 61 7.951 -15.236 2.128 1.00 0.00 C ATOM 900 O LEU A 61 8.575 -16.275 2.227 1.00 0.00 O ATOM 901 CB LEU A 61 5.852 -15.762 3.413 1.00 0.00 C ATOM 902 CG LEU A 61 5.490 -15.909 4.900 1.00 0.00 C ATOM 903 CD1 LEU A 61 6.446 -16.900 5.562 1.00 0.00 C ATOM 904 CD2 LEU A 61 5.589 -14.553 5.608 1.00 0.00 C ATOM 0 H LEU A 61 5.378 -13.571 2.562 1.00 0.00 H new ATOM 0 HA LEU A 61 7.612 -14.684 4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.983 -15.417 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.131 -16.732 3.003 1.00 0.00 H new ATOM 0 HG LEU A 61 4.467 -16.276 4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.189 -17.004 6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.363 -17.869 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.469 -16.534 5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.330 -14.672 6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.607 -14.173 5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.900 -13.848 5.142 1.00 0.00 H new