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 Set 1.1: A 8 THR OG1 : rot 180:sc= 0.0397 USER MOD Set 1.2: A 9 SER OG : rot 180:sc= -0.0268 USER MOD Single : A 10 TYR OH : rot 22:sc= 0.0522 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0789 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -133:sc= -9.43! (180deg=-16.3!) USER MOD Single : A 21 LYS NZ :NH3+ -139:sc=-0.000732 (180deg=-0.131) 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 81:sc= -0.0157 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 150:sc= -0.328 USER MOD Single : A 40 LYS NZ :NH3+ -125:sc= -0.0271 (180deg=-0.523) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.34) 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 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -160:sc= -0.172 (180deg=-1.29) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 5 0.495 -32.291 6.291 1.00 0.00 N ATOM 61 CA ASP A 5 -0.134 -31.492 7.382 1.00 0.00 C ATOM 62 C ASP A 5 -1.385 -30.775 6.862 1.00 0.00 C ATOM 63 O ASP A 5 -1.348 -29.607 6.527 1.00 0.00 O ATOM 64 CB ASP A 5 0.932 -30.476 7.792 1.00 0.00 C ATOM 65 CG ASP A 5 1.664 -30.980 9.038 1.00 0.00 C ATOM 66 OD1 ASP A 5 2.580 -31.771 8.884 1.00 0.00 O ATOM 67 OD2 ASP A 5 1.295 -30.567 10.124 1.00 0.00 O ATOM 0 HA ASP A 5 -0.450 -32.114 8.219 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.640 -30.326 6.977 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.470 -29.510 7.994 1.00 0.00 H new ATOM 72 N CYS A 6 -2.492 -31.464 6.791 1.00 0.00 N ATOM 73 CA CYS A 6 -3.740 -30.817 6.293 1.00 0.00 C ATOM 74 C CYS A 6 -4.555 -30.261 7.464 1.00 0.00 C ATOM 75 O CYS A 6 -4.736 -30.915 8.472 1.00 0.00 O ATOM 76 CB CYS A 6 -4.511 -31.927 5.583 1.00 0.00 C ATOM 77 SG CYS A 6 -3.400 -32.802 4.452 1.00 0.00 S ATOM 0 H CYS A 6 -2.586 -32.445 7.056 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.530 -29.979 5.628 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.925 -32.622 6.314 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.351 -31.506 5.031 1.00 0.00 H new ATOM 82 N CYS A 7 -5.039 -29.056 7.340 1.00 0.00 N ATOM 83 CA CYS A 7 -5.829 -28.448 8.436 1.00 0.00 C ATOM 84 C CYS A 7 -7.325 -28.717 8.239 1.00 0.00 C ATOM 85 O CYS A 7 -7.815 -28.766 7.129 1.00 0.00 O ATOM 86 CB CYS A 7 -5.538 -26.957 8.311 1.00 0.00 C ATOM 87 SG CYS A 7 -3.750 -26.691 8.339 1.00 0.00 S ATOM 0 H CYS A 7 -4.917 -28.465 6.517 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.570 -28.852 9.415 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.960 -26.569 7.384 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.011 -26.413 9.129 1.00 0.00 H new ATOM 92 N THR A 8 -8.053 -28.873 9.310 1.00 0.00 N ATOM 93 CA THR A 8 -9.517 -29.120 9.187 1.00 0.00 C ATOM 94 C THR A 8 -10.270 -27.806 9.405 1.00 0.00 C ATOM 95 O THR A 8 -11.420 -27.662 9.039 1.00 0.00 O ATOM 96 CB THR A 8 -9.849 -30.126 10.291 1.00 0.00 C ATOM 97 OG1 THR A 8 -9.313 -29.665 11.524 1.00 0.00 O ATOM 98 CG2 THR A 8 -9.240 -31.484 9.943 1.00 0.00 C ATOM 0 H THR A 8 -7.697 -28.840 10.265 1.00 0.00 H new ATOM 0 HA THR A 8 -9.801 -29.501 8.206 1.00 0.00 H new ATOM 0 HB THR A 8 -10.931 -30.228 10.380 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.526 -30.307 12.233 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.476 -32.201 10.729 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.651 -31.835 8.996 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.158 -31.386 9.855 1.00 0.00 H new ATOM 106 N SER A 9 -9.615 -26.842 9.993 1.00 0.00 N ATOM 107 CA SER A 9 -10.265 -25.524 10.234 1.00 0.00 C ATOM 108 C SER A 9 -9.276 -24.402 9.907 1.00 0.00 C ATOM 109 O SER A 9 -8.340 -24.592 9.156 1.00 0.00 O ATOM 110 CB SER A 9 -10.616 -25.517 11.723 1.00 0.00 C ATOM 111 OG SER A 9 -11.046 -26.813 12.114 1.00 0.00 O ATOM 0 H SER A 9 -8.651 -26.912 10.319 1.00 0.00 H new ATOM 0 HA SER A 9 -11.149 -25.371 9.615 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.748 -25.217 12.311 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.401 -24.787 11.919 1.00 0.00 H new ATOM 0 HG SER A 9 -11.270 -26.809 13.068 1.00 0.00 H new ATOM 117 N TYR A 10 -9.468 -23.236 10.461 1.00 0.00 N ATOM 118 CA TYR A 10 -8.524 -22.120 10.168 1.00 0.00 C ATOM 119 C TYR A 10 -8.435 -21.168 11.365 1.00 0.00 C ATOM 120 O TYR A 10 -9.271 -21.182 12.245 1.00 0.00 O ATOM 121 CB TYR A 10 -9.114 -21.418 8.945 1.00 0.00 C ATOM 122 CG TYR A 10 -9.196 -22.407 7.805 1.00 0.00 C ATOM 123 CD1 TYR A 10 -8.029 -22.817 7.148 1.00 0.00 C ATOM 124 CD2 TYR A 10 -10.438 -22.923 7.415 1.00 0.00 C ATOM 125 CE1 TYR A 10 -8.104 -23.742 6.100 1.00 0.00 C ATOM 126 CE2 TYR A 10 -10.512 -23.847 6.364 1.00 0.00 C ATOM 127 CZ TYR A 10 -9.345 -24.257 5.708 1.00 0.00 C ATOM 128 OH TYR A 10 -9.419 -25.170 4.676 1.00 0.00 O ATOM 0 H TYR A 10 -10.231 -23.009 11.099 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.509 -22.471 9.980 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.105 -21.027 9.176 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.493 -20.568 8.662 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.071 -22.420 7.450 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.338 -22.609 7.924 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.204 -24.058 5.594 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.470 -24.243 6.060 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.549 -25.607 4.563 1.00 0.00 H new ATOM 138 N ILE A 11 -7.418 -20.350 11.404 1.00 0.00 N ATOM 139 CA ILE A 11 -7.260 -19.401 12.545 1.00 0.00 C ATOM 140 C ILE A 11 -8.586 -18.684 12.830 1.00 0.00 C ATOM 141 O ILE A 11 -9.569 -18.879 12.143 1.00 0.00 O ATOM 142 CB ILE A 11 -6.186 -18.401 12.100 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.750 -17.475 11.017 1.00 0.00 C ATOM 144 CG2 ILE A 11 -4.966 -19.146 11.554 1.00 0.00 C ATOM 145 CD1 ILE A 11 -6.995 -18.267 9.731 1.00 0.00 C ATOM 0 H ILE A 11 -6.688 -20.297 10.694 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.975 -19.913 13.464 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.884 -17.805 12.961 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.681 -17.025 11.360 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.053 -16.659 10.825 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.210 -18.426 11.241 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.554 -19.789 12.332 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.263 -19.754 10.700 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.396 -17.603 8.965 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.055 -18.696 9.383 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.709 -19.067 9.927 1.00 0.00 H new ATOM 157 N SER A 12 -8.621 -17.863 13.845 1.00 0.00 N ATOM 158 CA SER A 12 -9.886 -17.145 14.181 1.00 0.00 C ATOM 159 C SER A 12 -9.861 -15.713 13.637 1.00 0.00 C ATOM 160 O SER A 12 -10.790 -14.952 13.827 1.00 0.00 O ATOM 161 CB SER A 12 -9.949 -17.132 15.711 1.00 0.00 C ATOM 162 OG SER A 12 -8.687 -17.500 16.248 1.00 0.00 O ATOM 0 H SER A 12 -7.830 -17.658 14.456 1.00 0.00 H new ATOM 0 HA SER A 12 -10.754 -17.633 13.739 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.229 -16.140 16.064 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.718 -17.823 16.058 1.00 0.00 H new ATOM 0 HG SER A 12 -8.732 -17.488 17.227 1.00 0.00 H new ATOM 168 N GLN A 13 -8.811 -15.338 12.962 1.00 0.00 N ATOM 169 CA GLN A 13 -8.739 -13.955 12.410 1.00 0.00 C ATOM 170 C GLN A 13 -7.656 -13.873 11.331 1.00 0.00 C ATOM 171 O GLN A 13 -7.021 -14.853 11.003 1.00 0.00 O ATOM 172 CB GLN A 13 -8.379 -13.069 13.603 1.00 0.00 C ATOM 173 CG GLN A 13 -7.059 -13.545 14.213 1.00 0.00 C ATOM 174 CD GLN A 13 -6.492 -12.450 15.119 1.00 0.00 C ATOM 175 OE1 GLN A 13 -6.106 -11.397 14.651 1.00 0.00 O ATOM 176 NE2 GLN A 13 -6.427 -12.655 16.406 1.00 0.00 N ATOM 0 H GLN A 13 -8.001 -15.927 12.768 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.675 -13.647 11.944 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.291 -12.030 13.285 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.172 -13.107 14.350 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.219 -14.459 14.785 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.346 -13.784 13.424 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.751 -13.539 16.799 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.052 -11.931 17.019 1.00 0.00 H new ATOM 185 N SER A 14 -7.441 -12.713 10.777 1.00 0.00 N ATOM 186 CA SER A 14 -6.397 -12.576 9.721 1.00 0.00 C ATOM 187 C SER A 14 -5.114 -13.287 10.156 1.00 0.00 C ATOM 188 O SER A 14 -4.766 -13.300 11.320 1.00 0.00 O ATOM 189 CB SER A 14 -6.159 -11.071 9.594 1.00 0.00 C ATOM 190 OG SER A 14 -5.822 -10.757 8.251 1.00 0.00 O ATOM 0 H SER A 14 -7.941 -11.855 11.008 1.00 0.00 H new ATOM 0 HA SER A 14 -6.703 -13.021 8.774 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.053 -10.524 9.893 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.357 -10.761 10.264 1.00 0.00 H new ATOM 0 HG SER A 14 -5.671 -9.792 8.169 1.00 0.00 H new ATOM 196 N ILE A 15 -4.405 -13.878 9.234 1.00 0.00 N ATOM 197 CA ILE A 15 -3.144 -14.582 9.603 1.00 0.00 C ATOM 198 C ILE A 15 -2.055 -13.564 9.947 1.00 0.00 C ATOM 199 O ILE A 15 -1.892 -12.572 9.264 1.00 0.00 O ATOM 200 CB ILE A 15 -2.747 -15.378 8.360 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.683 -16.575 8.199 1.00 0.00 C ATOM 202 CG2 ILE A 15 -1.309 -15.878 8.517 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.475 -17.540 9.367 1.00 0.00 C ATOM 0 H ILE A 15 -4.644 -13.904 8.243 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.275 -15.225 10.474 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.820 -14.738 7.480 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.720 -16.239 8.170 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.485 -17.081 7.254 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.023 -16.446 7.632 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.639 -15.027 8.634 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.240 -16.518 9.397 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.141 -18.395 9.255 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.441 -17.884 9.375 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.694 -17.029 10.305 1.00 0.00 H new ATOM 215 N PRO A 16 -1.336 -13.852 10.995 1.00 0.00 N ATOM 216 CA PRO A 16 -0.240 -12.962 11.438 1.00 0.00 C ATOM 217 C PRO A 16 0.988 -13.169 10.556 1.00 0.00 C ATOM 218 O PRO A 16 1.844 -13.970 10.858 1.00 0.00 O ATOM 219 CB PRO A 16 0.042 -13.422 12.862 1.00 0.00 C ATOM 220 CG PRO A 16 -0.406 -14.851 12.907 1.00 0.00 C ATOM 221 CD PRO A 16 -1.480 -15.027 11.861 1.00 0.00 C ATOM 0 HA PRO A 16 -0.494 -11.904 11.379 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.101 -13.333 13.102 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.501 -12.816 13.587 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.431 -15.521 12.712 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.790 -15.101 13.896 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.343 -15.953 11.302 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.471 -15.070 12.312 1.00 0.00 H new ATOM 229 N CYS A 17 1.083 -12.458 9.471 1.00 0.00 N ATOM 230 CA CYS A 17 2.269 -12.622 8.585 1.00 0.00 C ATOM 231 C CYS A 17 3.540 -12.276 9.362 1.00 0.00 C ATOM 232 O CYS A 17 4.595 -12.840 9.139 1.00 0.00 O ATOM 233 CB CYS A 17 2.064 -11.624 7.442 1.00 0.00 C ATOM 234 SG CYS A 17 0.431 -11.858 6.697 1.00 0.00 S ATOM 0 H CYS A 17 0.395 -11.773 9.158 1.00 0.00 H new ATOM 0 HA CYS A 17 2.371 -13.643 8.217 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.158 -10.605 7.817 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.839 -11.759 6.688 1.00 0.00 H new ATOM 239 N SER A 18 3.446 -11.351 10.279 1.00 0.00 N ATOM 240 CA SER A 18 4.651 -10.960 11.070 1.00 0.00 C ATOM 241 C SER A 18 5.056 -12.091 12.010 1.00 0.00 C ATOM 242 O SER A 18 6.169 -12.152 12.492 1.00 0.00 O ATOM 243 CB SER A 18 4.223 -9.726 11.864 1.00 0.00 C ATOM 244 OG SER A 18 5.362 -9.139 12.478 1.00 0.00 O ATOM 0 H SER A 18 2.590 -10.850 10.515 1.00 0.00 H new ATOM 0 HA SER A 18 5.512 -10.755 10.434 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.740 -9.005 11.204 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.491 -10.004 12.622 1.00 0.00 H new ATOM 0 HG SER A 18 5.088 -8.347 12.986 1.00 0.00 H new ATOM 250 N LEU A 19 4.150 -12.980 12.273 1.00 0.00 N ATOM 251 CA LEU A 19 4.449 -14.118 13.185 1.00 0.00 C ATOM 252 C LEU A 19 4.805 -15.375 12.386 1.00 0.00 C ATOM 253 O LEU A 19 4.647 -16.482 12.863 1.00 0.00 O ATOM 254 CB LEU A 19 3.151 -14.336 13.962 1.00 0.00 C ATOM 255 CG LEU A 19 3.431 -15.174 15.209 1.00 0.00 C ATOM 256 CD1 LEU A 19 4.555 -14.525 16.019 1.00 0.00 C ATOM 257 CD2 LEU A 19 2.163 -15.248 16.061 1.00 0.00 C ATOM 0 H LEU A 19 3.203 -12.971 11.893 1.00 0.00 H new ATOM 0 HA LEU A 19 5.299 -13.911 13.836 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.721 -13.376 14.247 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.418 -14.839 13.331 1.00 0.00 H new ATOM 0 HG LEU A 19 3.733 -16.179 14.915 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.755 -15.123 16.908 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.457 -14.469 15.410 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.255 -13.520 16.317 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.358 -15.845 16.952 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.864 -14.242 16.356 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.363 -15.710 15.483 1.00 0.00 H new ATOM 269 N MET A 20 5.273 -15.230 11.172 1.00 0.00 N ATOM 270 CA MET A 20 5.614 -16.446 10.372 1.00 0.00 C ATOM 271 C MET A 20 6.874 -16.215 9.536 1.00 0.00 C ATOM 272 O MET A 20 7.046 -15.183 8.917 1.00 0.00 O ATOM 273 CB MET A 20 4.421 -16.685 9.436 1.00 0.00 C ATOM 274 CG MET A 20 3.097 -16.385 10.146 1.00 0.00 C ATOM 275 SD MET A 20 2.642 -17.778 11.207 1.00 0.00 S ATOM 276 CE MET A 20 0.847 -17.574 11.077 1.00 0.00 C ATOM 0 H MET A 20 5.432 -14.337 10.706 1.00 0.00 H new ATOM 0 HA MET A 20 5.805 -17.297 11.026 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.515 -16.053 8.553 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.426 -17.719 9.091 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.191 -15.477 10.742 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.312 -16.204 9.411 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.401 -17.632 12.070 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.622 -16.603 10.635 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.436 -18.363 10.448 1.00 0.00 H new ATOM 286 N LYS A 21 7.745 -17.185 9.501 1.00 0.00 N ATOM 287 CA LYS A 21 8.989 -17.052 8.695 1.00 0.00 C ATOM 288 C LYS A 21 8.750 -17.611 7.287 1.00 0.00 C ATOM 289 O LYS A 21 9.353 -17.174 6.326 1.00 0.00 O ATOM 290 CB LYS A 21 10.034 -17.889 9.442 1.00 0.00 C ATOM 291 CG LYS A 21 11.175 -18.268 8.493 1.00 0.00 C ATOM 292 CD LYS A 21 12.249 -19.037 9.267 1.00 0.00 C ATOM 293 CE LYS A 21 13.516 -19.141 8.416 1.00 0.00 C ATOM 294 NZ LYS A 21 14.219 -17.842 8.614 1.00 0.00 N ATOM 0 H LYS A 21 7.647 -18.069 10.000 1.00 0.00 H new ATOM 0 HA LYS A 21 9.310 -16.017 8.580 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.426 -17.326 10.289 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.571 -18.789 9.845 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.794 -18.879 7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.605 -17.371 8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.470 -18.529 10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.886 -20.033 9.521 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.137 -19.979 8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.274 -19.303 7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.607 -17.515 7.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.548 -17.136 8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.994 -17.967 9.297 1.00 0.00 H new ATOM 308 N SER A 22 7.874 -18.573 7.154 1.00 0.00 N ATOM 309 CA SER A 22 7.604 -19.151 5.804 1.00 0.00 C ATOM 310 C SER A 22 6.158 -19.652 5.712 1.00 0.00 C ATOM 311 O SER A 22 5.400 -19.561 6.653 1.00 0.00 O ATOM 312 CB SER A 22 8.583 -20.318 5.671 1.00 0.00 C ATOM 313 OG SER A 22 9.287 -20.206 4.443 1.00 0.00 O ATOM 0 H SER A 22 7.336 -18.982 7.918 1.00 0.00 H new ATOM 0 HA SER A 22 7.732 -18.415 5.011 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.284 -20.316 6.506 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.044 -21.265 5.709 1.00 0.00 H new ATOM 0 HG SER A 22 9.916 -20.953 4.357 1.00 0.00 H new ATOM 319 N TYR A 23 5.778 -20.182 4.580 1.00 0.00 N ATOM 320 CA TYR A 23 4.385 -20.698 4.416 1.00 0.00 C ATOM 321 C TYR A 23 4.382 -21.857 3.412 1.00 0.00 C ATOM 322 O TYR A 23 5.223 -21.922 2.537 1.00 0.00 O ATOM 323 CB TYR A 23 3.587 -19.515 3.870 1.00 0.00 C ATOM 324 CG TYR A 23 4.046 -19.212 2.464 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.627 -20.023 1.402 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.890 -18.122 2.222 1.00 0.00 C ATOM 327 CE1 TYR A 23 4.054 -19.744 0.098 1.00 0.00 C ATOM 328 CE2 TYR A 23 5.317 -17.843 0.918 1.00 0.00 C ATOM 329 CZ TYR A 23 4.898 -18.653 -0.144 1.00 0.00 C ATOM 330 OH TYR A 23 5.318 -18.378 -1.429 1.00 0.00 O ATOM 0 H TYR A 23 6.374 -20.281 3.758 1.00 0.00 H new ATOM 0 HA TYR A 23 3.964 -21.074 5.348 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.522 -19.746 3.876 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.727 -18.642 4.507 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.975 -20.863 1.589 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.212 -17.496 3.041 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.732 -20.370 -0.721 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.970 -17.003 0.732 1.00 0.00 H new ATOM 0 HH TYR A 23 5.897 -17.588 -1.422 1.00 0.00 H new ATOM 340 N PHE A 24 3.450 -22.770 3.512 1.00 0.00 N ATOM 341 CA PHE A 24 3.433 -23.896 2.532 1.00 0.00 C ATOM 342 C PHE A 24 2.004 -24.383 2.280 1.00 0.00 C ATOM 343 O PHE A 24 1.171 -24.391 3.163 1.00 0.00 O ATOM 344 CB PHE A 24 4.305 -24.999 3.156 1.00 0.00 C ATOM 345 CG PHE A 24 3.490 -25.887 4.075 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.559 -26.793 3.543 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.678 -25.815 5.460 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.818 -27.619 4.397 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.939 -26.643 6.313 1.00 0.00 C ATOM 350 CZ PHE A 24 2.008 -27.544 5.782 1.00 0.00 C ATOM 0 H PHE A 24 2.713 -22.786 4.217 1.00 0.00 H new ATOM 0 HA PHE A 24 3.818 -23.591 1.559 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.753 -25.602 2.367 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.124 -24.546 3.715 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.414 -26.853 2.474 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.394 -25.119 5.871 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.100 -28.314 3.987 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.087 -26.587 7.381 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.437 -28.181 6.441 1.00 0.00 H new ATOM 360 N GLU A 25 1.725 -24.800 1.075 1.00 0.00 N ATOM 361 CA GLU A 25 0.360 -25.302 0.751 1.00 0.00 C ATOM 362 C GLU A 25 0.306 -26.817 0.954 1.00 0.00 C ATOM 363 O GLU A 25 1.247 -27.526 0.656 1.00 0.00 O ATOM 364 CB GLU A 25 0.150 -24.951 -0.723 1.00 0.00 C ATOM 365 CG GLU A 25 1.122 -25.760 -1.586 1.00 0.00 C ATOM 366 CD GLU A 25 0.934 -25.384 -3.057 1.00 0.00 C ATOM 367 OE1 GLU A 25 0.256 -24.403 -3.315 1.00 0.00 O ATOM 368 OE2 GLU A 25 1.472 -26.083 -3.899 1.00 0.00 O ATOM 0 H GLU A 25 2.386 -24.814 0.299 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.410 -24.863 1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.878 -25.166 -1.016 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.310 -23.884 -0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.149 -25.563 -1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.947 -26.827 -1.447 1.00 0.00 H new ATOM 375 N THR A 26 -0.781 -27.322 1.467 1.00 0.00 N ATOM 376 CA THR A 26 -0.881 -28.792 1.692 1.00 0.00 C ATOM 377 C THR A 26 -1.085 -29.520 0.361 1.00 0.00 C ATOM 378 O THR A 26 -0.933 -28.949 -0.701 1.00 0.00 O ATOM 379 CB THR A 26 -2.099 -28.973 2.599 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.264 -28.530 1.919 1.00 0.00 O ATOM 381 CG2 THR A 26 -1.910 -28.158 3.877 1.00 0.00 C ATOM 0 H THR A 26 -1.603 -26.783 1.740 1.00 0.00 H new ATOM 0 HA THR A 26 0.023 -29.203 2.140 1.00 0.00 H new ATOM 0 HB THR A 26 -2.208 -30.027 2.856 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.576 -29.233 1.312 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.778 -28.287 4.523 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.016 -28.500 4.398 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.801 -27.104 3.623 1.00 0.00 H new ATOM 389 N SER A 27 -1.421 -30.778 0.412 1.00 0.00 N ATOM 390 CA SER A 27 -1.631 -31.548 -0.848 1.00 0.00 C ATOM 391 C SER A 27 -3.123 -31.632 -1.181 1.00 0.00 C ATOM 392 O SER A 27 -3.954 -31.816 -0.312 1.00 0.00 O ATOM 393 CB SER A 27 -1.065 -32.938 -0.560 1.00 0.00 C ATOM 394 OG SER A 27 0.304 -32.826 -0.200 1.00 0.00 O ATOM 0 H SER A 27 -1.560 -31.308 1.272 1.00 0.00 H new ATOM 0 HA SER A 27 -1.145 -31.078 -1.703 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.626 -33.411 0.246 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.170 -33.574 -1.439 1.00 0.00 H new ATOM 0 HG SER A 27 0.667 -33.717 -0.013 1.00 0.00 H new ATOM 400 N SER A 28 -3.469 -31.500 -2.432 1.00 0.00 N ATOM 401 CA SER A 28 -4.906 -31.574 -2.821 1.00 0.00 C ATOM 402 C SER A 28 -5.441 -32.989 -2.603 1.00 0.00 C ATOM 403 O SER A 28 -6.623 -33.244 -2.721 1.00 0.00 O ATOM 404 CB SER A 28 -4.939 -31.208 -4.306 1.00 0.00 C ATOM 405 OG SER A 28 -4.027 -32.032 -5.017 1.00 0.00 O ATOM 0 H SER A 28 -2.819 -31.344 -3.202 1.00 0.00 H new ATOM 0 HA SER A 28 -5.528 -30.905 -2.226 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.947 -31.337 -4.701 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.677 -30.158 -4.439 1.00 0.00 H new ATOM 0 HG SER A 28 -4.049 -31.799 -5.969 1.00 0.00 H new ATOM 411 N GLU A 29 -4.579 -33.911 -2.281 1.00 0.00 N ATOM 412 CA GLU A 29 -5.036 -35.310 -2.048 1.00 0.00 C ATOM 413 C GLU A 29 -5.765 -35.402 -0.705 1.00 0.00 C ATOM 414 O GLU A 29 -6.542 -36.305 -0.469 1.00 0.00 O ATOM 415 CB GLU A 29 -3.759 -36.150 -2.026 1.00 0.00 C ATOM 416 CG GLU A 29 -4.025 -37.497 -2.701 1.00 0.00 C ATOM 417 CD GLU A 29 -3.767 -37.373 -4.204 1.00 0.00 C ATOM 418 OE1 GLU A 29 -3.640 -36.254 -4.674 1.00 0.00 O ATOM 419 OE2 GLU A 29 -3.703 -38.399 -4.861 1.00 0.00 O ATOM 0 H GLU A 29 -3.577 -33.757 -2.169 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.730 -35.653 -2.815 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.956 -35.624 -2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.430 -36.304 -0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.380 -38.264 -2.272 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.054 -37.809 -2.522 1.00 0.00 H new ATOM 426 N CYS A 30 -5.518 -34.470 0.174 1.00 0.00 N ATOM 427 CA CYS A 30 -6.198 -34.496 1.500 1.00 0.00 C ATOM 428 C CYS A 30 -7.673 -34.122 1.341 1.00 0.00 C ATOM 429 O CYS A 30 -8.041 -33.371 0.460 1.00 0.00 O ATOM 430 CB CYS A 30 -5.467 -33.447 2.339 1.00 0.00 C ATOM 431 SG CYS A 30 -4.546 -34.268 3.663 1.00 0.00 S ATOM 0 H CYS A 30 -4.875 -33.691 0.031 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.167 -35.482 1.963 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.787 -32.873 1.710 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.182 -32.742 2.762 1.00 0.00 H new ATOM 436 N SER A 31 -8.523 -34.640 2.186 1.00 0.00 N ATOM 437 CA SER A 31 -9.973 -34.313 2.078 1.00 0.00 C ATOM 438 C SER A 31 -10.198 -32.813 2.270 1.00 0.00 C ATOM 439 O SER A 31 -11.265 -32.295 2.007 1.00 0.00 O ATOM 440 CB SER A 31 -10.646 -35.106 3.198 1.00 0.00 C ATOM 441 OG SER A 31 -11.800 -34.409 3.644 1.00 0.00 O ATOM 0 H SER A 31 -8.276 -35.275 2.945 1.00 0.00 H new ATOM 0 HA SER A 31 -10.378 -34.568 1.099 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.923 -36.098 2.840 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.951 -35.248 4.026 1.00 0.00 H new ATOM 0 HG SER A 31 -12.233 -34.918 4.361 1.00 0.00 H new ATOM 447 N LYS A 32 -9.201 -32.114 2.727 1.00 0.00 N ATOM 448 CA LYS A 32 -9.353 -30.646 2.939 1.00 0.00 C ATOM 449 C LYS A 32 -7.998 -29.947 2.804 1.00 0.00 C ATOM 450 O LYS A 32 -7.123 -30.125 3.629 1.00 0.00 O ATOM 451 CB LYS A 32 -9.888 -30.506 4.363 1.00 0.00 C ATOM 452 CG LYS A 32 -11.406 -30.318 4.319 1.00 0.00 C ATOM 453 CD LYS A 32 -11.791 -29.095 5.155 1.00 0.00 C ATOM 454 CE LYS A 32 -13.279 -29.166 5.504 1.00 0.00 C ATOM 455 NZ LYS A 32 -13.981 -28.667 4.287 1.00 0.00 N ATOM 0 H LYS A 32 -8.285 -32.494 2.964 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.018 -30.190 2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.637 -31.392 4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.419 -29.655 4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.738 -30.187 3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.905 -31.207 4.704 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.194 -29.061 6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.579 -28.181 4.601 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.581 -30.186 5.744 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.511 -28.552 6.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.008 -28.685 4.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.679 -27.692 4.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.746 -29.275 3.477 1.00 0.00 H new ATOM 469 N PRO A 33 -7.871 -29.166 1.764 1.00 0.00 N ATOM 470 CA PRO A 33 -6.610 -28.427 1.520 1.00 0.00 C ATOM 471 C PRO A 33 -6.468 -27.268 2.510 1.00 0.00 C ATOM 472 O PRO A 33 -7.271 -27.099 3.406 1.00 0.00 O ATOM 473 CB PRO A 33 -6.768 -27.908 0.096 1.00 0.00 C ATOM 474 CG PRO A 33 -8.245 -27.840 -0.133 1.00 0.00 C ATOM 475 CD PRO A 33 -8.877 -28.902 0.730 1.00 0.00 C ATOM 0 HA PRO A 33 -5.721 -29.045 1.647 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.306 -26.928 -0.020 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.288 -28.574 -0.622 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.630 -26.854 0.126 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.480 -28.008 -1.184 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.815 -28.557 1.165 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.104 -29.800 0.155 1.00 0.00 H new ATOM 483 N GLY A 34 -5.449 -26.469 2.352 1.00 0.00 N ATOM 484 CA GLY A 34 -5.245 -25.322 3.278 1.00 0.00 C ATOM 485 C GLY A 34 -3.768 -24.925 3.271 1.00 0.00 C ATOM 486 O GLY A 34 -2.904 -25.718 2.955 1.00 0.00 O ATOM 0 H GLY A 34 -4.747 -26.562 1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.862 -24.478 2.971 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.556 -25.594 4.287 1.00 0.00 H new ATOM 490 N VAL A 35 -3.470 -23.704 3.621 1.00 0.00 N ATOM 491 CA VAL A 35 -2.046 -23.261 3.639 1.00 0.00 C ATOM 492 C VAL A 35 -1.579 -23.107 5.087 1.00 0.00 C ATOM 493 O VAL A 35 -2.140 -22.349 5.847 1.00 0.00 O ATOM 494 CB VAL A 35 -2.045 -21.910 2.918 1.00 0.00 C ATOM 495 CG1 VAL A 35 -0.779 -21.131 3.281 1.00 0.00 C ATOM 496 CG2 VAL A 35 -2.082 -22.141 1.406 1.00 0.00 C ATOM 0 H VAL A 35 -4.149 -22.994 3.895 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.374 -23.972 3.158 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.921 -21.338 3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.783 -20.170 2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.750 -20.965 4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.099 -21.702 2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.081 -21.180 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.206 -22.715 1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.985 -22.692 1.144 1.00 0.00 H new ATOM 506 N ILE A 36 -0.556 -23.815 5.482 1.00 0.00 N ATOM 507 CA ILE A 36 -0.082 -23.687 6.887 1.00 0.00 C ATOM 508 C ILE A 36 1.137 -22.777 6.946 1.00 0.00 C ATOM 509 O ILE A 36 2.062 -22.908 6.171 1.00 0.00 O ATOM 510 CB ILE A 36 0.290 -25.102 7.332 1.00 0.00 C ATOM 511 CG1 ILE A 36 -0.983 -25.907 7.593 1.00 0.00 C ATOM 512 CG2 ILE A 36 1.119 -25.026 8.621 1.00 0.00 C ATOM 513 CD1 ILE A 36 -0.627 -27.206 8.319 1.00 0.00 C ATOM 0 H ILE A 36 -0.034 -24.469 4.899 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.845 -23.252 7.533 1.00 0.00 H new ATOM 0 HB ILE A 36 0.872 -25.589 6.550 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.679 -25.322 8.194 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.484 -26.130 6.651 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.386 -26.033 8.942 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.026 -24.451 8.437 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.534 -24.540 9.402 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.535 -27.780 8.505 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.053 -27.793 7.702 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.145 -26.972 9.268 1.00 0.00 H new ATOM 525 N PHE A 37 1.152 -21.862 7.866 1.00 0.00 N ATOM 526 CA PHE A 37 2.323 -20.953 7.975 1.00 0.00 C ATOM 527 C PHE A 37 3.294 -21.484 9.031 1.00 0.00 C ATOM 528 O PHE A 37 2.896 -21.910 10.096 1.00 0.00 O ATOM 529 CB PHE A 37 1.746 -19.602 8.397 1.00 0.00 C ATOM 530 CG PHE A 37 1.011 -18.981 7.231 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.339 -19.284 7.014 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.678 -18.103 6.368 1.00 0.00 C ATOM 533 CE1 PHE A 37 -1.020 -18.711 5.934 1.00 0.00 C ATOM 534 CE2 PHE A 37 0.996 -17.530 5.288 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.353 -17.834 5.071 1.00 0.00 C ATOM 0 H PHE A 37 0.409 -21.702 8.546 1.00 0.00 H new ATOM 0 HA PHE A 37 2.878 -20.875 7.040 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.068 -19.732 9.241 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.546 -18.941 8.730 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.855 -19.960 7.680 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.719 -17.868 6.536 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.061 -18.946 5.766 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.511 -16.853 4.622 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.879 -17.392 4.238 1.00 0.00 H new ATOM 545 N LEU A 38 4.566 -21.457 8.748 1.00 0.00 N ATOM 546 CA LEU A 38 5.558 -21.953 9.738 1.00 0.00 C ATOM 547 C LEU A 38 6.112 -20.769 10.526 1.00 0.00 C ATOM 548 O LEU A 38 6.670 -19.849 9.964 1.00 0.00 O ATOM 549 CB LEU A 38 6.659 -22.608 8.904 1.00 0.00 C ATOM 550 CG LEU A 38 6.496 -24.129 8.944 1.00 0.00 C ATOM 551 CD1 LEU A 38 6.612 -24.616 10.390 1.00 0.00 C ATOM 552 CD2 LEU A 38 5.124 -24.512 8.385 1.00 0.00 C ATOM 0 H LEU A 38 4.961 -21.112 7.873 1.00 0.00 H new ATOM 0 HA LEU A 38 5.130 -22.654 10.454 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.609 -22.254 7.874 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.638 -22.327 9.291 1.00 0.00 H new ATOM 0 HG LEU A 38 7.276 -24.593 8.340 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.496 -25.699 10.419 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.590 -24.345 10.788 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.833 -24.151 10.994 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.009 -25.596 8.414 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.343 -24.048 8.988 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.041 -24.166 7.355 1.00 0.00 H new ATOM 564 N THR A 39 5.944 -20.775 11.820 1.00 0.00 N ATOM 565 CA THR A 39 6.441 -19.637 12.643 1.00 0.00 C ATOM 566 C THR A 39 7.873 -19.895 13.108 1.00 0.00 C ATOM 567 O THR A 39 8.270 -21.019 13.341 1.00 0.00 O ATOM 568 CB THR A 39 5.503 -19.576 13.851 1.00 0.00 C ATOM 569 OG1 THR A 39 5.860 -20.596 14.774 1.00 0.00 O ATOM 570 CG2 THR A 39 4.058 -19.784 13.397 1.00 0.00 C ATOM 0 H THR A 39 5.483 -21.520 12.343 1.00 0.00 H new ATOM 0 HA THR A 39 6.450 -18.705 12.078 1.00 0.00 H new ATOM 0 HB THR A 39 5.592 -18.600 14.328 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.644 -20.304 15.684 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.395 -19.740 14.261 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.783 -19.003 12.688 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.964 -20.758 12.917 1.00 0.00 H new ATOM 578 N LYS A 40 8.647 -18.856 13.256 1.00 0.00 N ATOM 579 CA LYS A 40 10.050 -19.035 13.720 1.00 0.00 C ATOM 580 C LYS A 40 10.056 -19.558 15.160 1.00 0.00 C ATOM 581 O LYS A 40 10.992 -20.198 15.596 1.00 0.00 O ATOM 582 CB LYS A 40 10.669 -17.639 13.654 1.00 0.00 C ATOM 583 CG LYS A 40 12.156 -17.754 13.311 1.00 0.00 C ATOM 584 CD LYS A 40 12.726 -16.361 13.039 1.00 0.00 C ATOM 585 CE LYS A 40 14.253 -16.427 13.032 1.00 0.00 C ATOM 586 NZ LYS A 40 14.639 -16.515 14.470 1.00 0.00 N ATOM 0 H LYS A 40 8.368 -17.891 13.076 1.00 0.00 H new ATOM 0 HA LYS A 40 10.603 -19.752 13.114 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.157 -17.038 12.902 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.544 -17.129 14.609 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.694 -18.225 14.134 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.290 -18.391 12.436 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.363 -15.989 12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.385 -15.662 13.802 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.609 -17.293 12.474 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.685 -15.544 12.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.306 -15.750 14.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.790 -16.422 15.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.090 -17.434 14.653 1.00 0.00 H new ATOM 600 N LYS A 41 9.012 -19.289 15.898 1.00 0.00 N ATOM 601 CA LYS A 41 8.948 -19.768 17.309 1.00 0.00 C ATOM 602 C LYS A 41 8.784 -21.288 17.348 1.00 0.00 C ATOM 603 O LYS A 41 8.826 -21.902 18.395 1.00 0.00 O ATOM 604 CB LYS A 41 7.718 -19.079 17.902 1.00 0.00 C ATOM 605 CG LYS A 41 7.537 -19.513 19.358 1.00 0.00 C ATOM 606 CD LYS A 41 6.596 -18.535 20.063 1.00 0.00 C ATOM 607 CE LYS A 41 6.642 -18.778 21.573 1.00 0.00 C ATOM 608 NZ LYS A 41 5.216 -18.932 21.977 1.00 0.00 N ATOM 0 H LYS A 41 8.200 -18.758 15.584 1.00 0.00 H new ATOM 0 HA LYS A 41 9.856 -19.536 17.866 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.833 -17.997 17.847 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.831 -19.335 17.323 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.129 -20.523 19.401 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.502 -19.537 19.865 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.888 -17.509 19.840 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.578 -18.664 19.694 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.220 -19.671 21.813 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.113 -17.944 22.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.162 -19.102 23.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.693 -18.064 21.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.796 -19.737 21.470 1.00 0.00 H new ATOM 622 N GLY A 42 8.600 -21.897 16.212 1.00 0.00 N ATOM 623 CA GLY A 42 8.434 -23.377 16.176 1.00 0.00 C ATOM 624 C GLY A 42 6.950 -23.735 16.298 1.00 0.00 C ATOM 625 O GLY A 42 6.545 -24.442 17.198 1.00 0.00 O ATOM 0 H GLY A 42 8.557 -21.434 15.304 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.838 -23.775 15.245 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.996 -23.835 16.990 1.00 0.00 H new ATOM 629 N ARG A 43 6.136 -23.254 15.397 1.00 0.00 N ATOM 630 CA ARG A 43 4.680 -23.573 15.463 1.00 0.00 C ATOM 631 C ARG A 43 4.090 -23.617 14.051 1.00 0.00 C ATOM 632 O ARG A 43 4.788 -23.434 13.072 1.00 0.00 O ATOM 633 CB ARG A 43 4.060 -22.432 16.271 1.00 0.00 C ATOM 634 CG ARG A 43 2.894 -22.971 17.104 1.00 0.00 C ATOM 635 CD ARG A 43 3.099 -22.589 18.572 1.00 0.00 C ATOM 636 NE ARG A 43 2.789 -21.133 18.634 1.00 0.00 N ATOM 637 CZ ARG A 43 1.821 -20.704 19.397 1.00 0.00 C ATOM 638 NH1 ARG A 43 0.643 -21.261 19.330 1.00 0.00 N ATOM 639 NH2 ARG A 43 2.031 -19.718 20.225 1.00 0.00 N ATOM 0 H ARG A 43 6.415 -22.655 14.620 1.00 0.00 H new ATOM 0 HA ARG A 43 4.487 -24.544 15.920 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.810 -21.984 16.923 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.710 -21.646 15.601 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.952 -22.562 16.739 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.831 -24.055 17.004 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.441 -23.162 19.225 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.121 -22.790 18.894 1.00 0.00 H new ATOM 0 HE ARG A 43 3.333 -20.472 18.080 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.479 -22.031 18.682 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.114 -20.926 19.926 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.952 -19.282 20.276 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.274 -19.383 20.821 1.00 0.00 H new ATOM 653 N GLN A 44 2.813 -23.863 13.933 1.00 0.00 N ATOM 654 CA GLN A 44 2.192 -23.922 12.578 1.00 0.00 C ATOM 655 C GLN A 44 0.755 -23.402 12.620 1.00 0.00 C ATOM 656 O GLN A 44 -0.024 -23.762 13.481 1.00 0.00 O ATOM 657 CB GLN A 44 2.208 -25.400 12.196 1.00 0.00 C ATOM 658 CG GLN A 44 3.601 -25.979 12.447 1.00 0.00 C ATOM 659 CD GLN A 44 3.731 -27.325 11.730 1.00 0.00 C ATOM 660 OE1 GLN A 44 2.776 -28.072 11.639 1.00 0.00 O ATOM 661 NE2 GLN A 44 4.879 -27.667 11.212 1.00 0.00 N ATOM 0 H GLN A 44 2.175 -24.025 14.712 1.00 0.00 H new ATOM 0 HA GLN A 44 2.730 -23.305 11.859 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.466 -25.945 12.779 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.938 -25.518 11.147 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.364 -25.288 12.088 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.766 -26.107 13.517 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.680 -27.040 11.288 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.975 -28.561 10.731 1.00 0.00 H new ATOM 670 N VAL A 45 0.396 -22.566 11.686 1.00 0.00 N ATOM 671 CA VAL A 45 -0.993 -22.028 11.654 1.00 0.00 C ATOM 672 C VAL A 45 -1.734 -22.603 10.446 1.00 0.00 C ATOM 673 O VAL A 45 -1.141 -23.229 9.589 1.00 0.00 O ATOM 674 CB VAL A 45 -0.837 -20.513 11.517 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.221 -19.860 11.511 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.023 -19.976 12.697 1.00 0.00 C ATOM 0 H VAL A 45 1.007 -22.231 10.941 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.564 -22.291 12.545 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.321 -20.281 10.585 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.113 -18.780 11.413 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.801 -20.244 10.672 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.736 -20.090 12.444 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.089 -18.896 12.600 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.539 -20.205 13.629 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.962 -20.444 12.703 1.00 0.00 H new ATOM 686 N CYS A 46 -3.021 -22.398 10.363 1.00 0.00 N ATOM 687 CA CYS A 46 -3.784 -22.944 9.203 1.00 0.00 C ATOM 688 C CYS A 46 -4.751 -21.890 8.666 1.00 0.00 C ATOM 689 O CYS A 46 -5.670 -21.479 9.339 1.00 0.00 O ATOM 690 CB CYS A 46 -4.557 -24.140 9.761 1.00 0.00 C ATOM 691 SG CYS A 46 -3.435 -25.543 9.974 1.00 0.00 S ATOM 0 H CYS A 46 -3.575 -21.879 11.044 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.131 -23.229 8.379 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.013 -23.878 10.716 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.368 -24.409 9.084 1.00 0.00 H new ATOM 696 N ALA A 47 -4.547 -21.451 7.458 1.00 0.00 N ATOM 697 CA ALA A 47 -5.453 -20.420 6.879 1.00 0.00 C ATOM 698 C ALA A 47 -6.116 -20.947 5.606 1.00 0.00 C ATOM 699 O ALA A 47 -5.650 -21.887 4.994 1.00 0.00 O ATOM 700 CB ALA A 47 -4.545 -19.234 6.557 1.00 0.00 C ATOM 0 H ALA A 47 -3.793 -21.760 6.845 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.257 -20.148 7.563 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.138 -18.428 6.125 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.067 -18.883 7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.780 -19.544 5.845 1.00 0.00 H new ATOM 706 N LYS A 48 -7.200 -20.346 5.203 1.00 0.00 N ATOM 707 CA LYS A 48 -7.893 -20.806 3.970 1.00 0.00 C ATOM 708 C LYS A 48 -6.966 -20.670 2.759 1.00 0.00 C ATOM 709 O LYS A 48 -5.862 -20.177 2.875 1.00 0.00 O ATOM 710 CB LYS A 48 -9.099 -19.878 3.833 1.00 0.00 C ATOM 711 CG LYS A 48 -10.368 -20.628 4.245 1.00 0.00 C ATOM 712 CD LYS A 48 -10.930 -20.012 5.527 1.00 0.00 C ATOM 713 CE LYS A 48 -12.399 -20.408 5.682 1.00 0.00 C ATOM 714 NZ LYS A 48 -13.032 -19.259 6.388 1.00 0.00 N ATOM 0 H LYS A 48 -7.636 -19.554 5.676 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.187 -21.854 4.024 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.966 -18.996 4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.188 -19.529 2.804 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.110 -20.575 3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.145 -21.683 4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.357 -20.354 6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.837 -18.927 5.493 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.866 -20.582 4.713 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.502 -21.329 6.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.043 -19.455 6.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.571 -19.122 7.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.924 -18.398 5.815 1.00 0.00 H new ATOM 728 N PRO A 49 -7.450 -21.117 1.633 1.00 0.00 N ATOM 729 CA PRO A 49 -6.659 -21.049 0.381 1.00 0.00 C ATOM 730 C PRO A 49 -6.580 -19.607 -0.127 1.00 0.00 C ATOM 731 O PRO A 49 -5.582 -19.186 -0.676 1.00 0.00 O ATOM 732 CB PRO A 49 -7.446 -21.926 -0.588 1.00 0.00 C ATOM 733 CG PRO A 49 -8.849 -21.911 -0.071 1.00 0.00 C ATOM 734 CD PRO A 49 -8.771 -21.722 1.422 1.00 0.00 C ATOM 0 HA PRO A 49 -5.628 -21.381 0.507 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.396 -21.535 -1.604 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.047 -22.940 -0.616 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.420 -21.105 -0.532 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.359 -22.843 -0.315 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.569 -21.075 1.785 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.865 -22.671 1.950 1.00 0.00 H new ATOM 742 N SER A 50 -7.626 -18.847 0.050 1.00 0.00 N ATOM 743 CA SER A 50 -7.607 -17.433 -0.426 1.00 0.00 C ATOM 744 C SER A 50 -8.092 -16.495 0.682 1.00 0.00 C ATOM 745 O SER A 50 -8.672 -15.459 0.422 1.00 0.00 O ATOM 746 CB SER A 50 -8.568 -17.400 -1.614 1.00 0.00 C ATOM 747 OG SER A 50 -8.047 -18.197 -2.667 1.00 0.00 O ATOM 0 H SER A 50 -8.491 -19.142 0.502 1.00 0.00 H new ATOM 0 HA SER A 50 -6.605 -17.106 -0.704 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.548 -17.771 -1.313 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.707 -16.374 -1.955 1.00 0.00 H new ATOM 0 HG SER A 50 -8.664 -18.177 -3.428 1.00 0.00 H new ATOM 753 N GLY A 51 -7.858 -16.847 1.917 1.00 0.00 N ATOM 754 CA GLY A 51 -8.305 -15.974 3.038 1.00 0.00 C ATOM 755 C GLY A 51 -7.765 -14.557 2.824 1.00 0.00 C ATOM 756 O GLY A 51 -6.700 -14.376 2.268 1.00 0.00 O ATOM 0 H GLY A 51 -7.377 -17.701 2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.394 -15.957 3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.948 -16.372 3.988 1.00 0.00 H new ATOM 760 N PRO A 52 -8.524 -13.597 3.276 1.00 0.00 N ATOM 761 CA PRO A 52 -8.121 -12.176 3.133 1.00 0.00 C ATOM 762 C PRO A 52 -6.928 -11.867 4.042 1.00 0.00 C ATOM 763 O PRO A 52 -7.081 -11.362 5.136 1.00 0.00 O ATOM 764 CB PRO A 52 -9.363 -11.406 3.576 1.00 0.00 C ATOM 765 CG PRO A 52 -10.101 -12.351 4.469 1.00 0.00 C ATOM 766 CD PRO A 52 -9.815 -13.740 3.960 1.00 0.00 C ATOM 0 HA PRO A 52 -7.806 -11.917 2.122 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.094 -10.491 4.104 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.972 -11.113 2.721 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.773 -12.242 5.503 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.171 -12.145 4.451 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.759 -14.462 4.775 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.593 -14.086 3.280 1.00 0.00 H new ATOM 774 N GLY A 53 -5.741 -12.171 3.594 1.00 0.00 N ATOM 775 CA GLY A 53 -4.537 -11.900 4.426 1.00 0.00 C ATOM 776 C GLY A 53 -3.544 -13.052 4.272 1.00 0.00 C ATOM 777 O GLY A 53 -2.352 -12.882 4.427 1.00 0.00 O ATOM 0 H GLY A 53 -5.554 -12.596 2.686 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.073 -10.962 4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.822 -11.788 5.472 1.00 0.00 H new ATOM 781 N VAL A 54 -4.026 -14.226 3.964 1.00 0.00 N ATOM 782 CA VAL A 54 -3.104 -15.386 3.797 1.00 0.00 C ATOM 783 C VAL A 54 -2.124 -15.109 2.661 1.00 0.00 C ATOM 784 O VAL A 54 -0.946 -15.386 2.765 1.00 0.00 O ATOM 785 CB VAL A 54 -4.009 -16.572 3.455 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.151 -17.752 2.993 1.00 0.00 C ATOM 787 CG2 VAL A 54 -4.807 -16.977 4.695 1.00 0.00 C ATOM 0 H VAL A 54 -5.015 -14.432 3.821 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.511 -15.579 4.691 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.695 -16.288 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.795 -18.597 2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.581 -17.464 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.465 -18.037 3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.452 -17.822 4.453 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.121 -17.262 5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.418 -16.137 5.025 1.00 0.00 H new ATOM 797 N GLN A 55 -2.596 -14.551 1.584 1.00 0.00 N ATOM 798 CA GLN A 55 -1.675 -14.247 0.457 1.00 0.00 C ATOM 799 C GLN A 55 -0.729 -13.133 0.887 1.00 0.00 C ATOM 800 O GLN A 55 0.382 -13.028 0.407 1.00 0.00 O ATOM 801 CB GLN A 55 -2.575 -13.788 -0.692 1.00 0.00 C ATOM 802 CG GLN A 55 -2.518 -14.813 -1.826 1.00 0.00 C ATOM 803 CD GLN A 55 -2.172 -14.104 -3.137 1.00 0.00 C ATOM 804 OE1 GLN A 55 -2.887 -13.224 -3.571 1.00 0.00 O ATOM 805 NE2 GLN A 55 -1.097 -14.453 -3.789 1.00 0.00 N ATOM 0 H GLN A 55 -3.572 -14.294 1.435 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.068 -15.102 0.158 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.601 -13.675 -0.341 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.252 -12.812 -1.053 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.771 -15.575 -1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.477 -15.323 -1.918 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.497 -15.192 -3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.857 -13.986 -4.664 1.00 0.00 H new ATOM 814 N ASP A 56 -1.155 -12.313 1.808 1.00 0.00 N ATOM 815 CA ASP A 56 -0.273 -11.221 2.295 1.00 0.00 C ATOM 816 C ASP A 56 0.897 -11.834 3.061 1.00 0.00 C ATOM 817 O ASP A 56 2.033 -11.415 2.928 1.00 0.00 O ATOM 818 CB ASP A 56 -1.150 -10.380 3.223 1.00 0.00 C ATOM 819 CG ASP A 56 -0.498 -9.013 3.440 1.00 0.00 C ATOM 820 OD1 ASP A 56 0.335 -8.641 2.630 1.00 0.00 O ATOM 821 OD2 ASP A 56 -0.842 -8.362 4.414 1.00 0.00 O ATOM 0 H ASP A 56 -2.077 -12.354 2.243 1.00 0.00 H new ATOM 0 HA ASP A 56 0.141 -10.616 1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.143 -10.257 2.790 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.280 -10.889 4.178 1.00 0.00 H new ATOM 826 N CYS A 57 0.633 -12.842 3.853 1.00 0.00 N ATOM 827 CA CYS A 57 1.738 -13.491 4.609 1.00 0.00 C ATOM 828 C CYS A 57 2.722 -14.112 3.620 1.00 0.00 C ATOM 829 O CYS A 57 3.920 -13.932 3.723 1.00 0.00 O ATOM 830 CB CYS A 57 1.072 -14.580 5.451 1.00 0.00 C ATOM 831 SG CYS A 57 0.104 -13.850 6.802 1.00 0.00 S ATOM 0 H CYS A 57 -0.294 -13.239 4.006 1.00 0.00 H new ATOM 0 HA CYS A 57 2.289 -12.787 5.233 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.423 -15.188 4.820 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.832 -15.245 5.861 1.00 0.00 H new ATOM 836 N MET A 58 2.223 -14.837 2.656 1.00 0.00 N ATOM 837 CA MET A 58 3.130 -15.463 1.659 1.00 0.00 C ATOM 838 C MET A 58 3.718 -14.394 0.736 1.00 0.00 C ATOM 839 O MET A 58 4.726 -14.606 0.091 1.00 0.00 O ATOM 840 CB MET A 58 2.256 -16.435 0.874 1.00 0.00 C ATOM 841 CG MET A 58 1.433 -17.279 1.851 1.00 0.00 C ATOM 842 SD MET A 58 0.927 -18.821 1.048 1.00 0.00 S ATOM 843 CE MET A 58 0.280 -18.088 -0.475 1.00 0.00 C ATOM 0 H MET A 58 1.229 -15.021 2.518 1.00 0.00 H new ATOM 0 HA MET A 58 3.972 -15.971 2.130 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.595 -15.887 0.203 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.877 -17.080 0.253 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.021 -17.498 2.742 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.555 -16.722 2.177 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.395 -18.793 -0.960 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.261 -17.172 -0.237 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.106 -17.856 -1.147 1.00 0.00 H new ATOM 853 N LYS A 59 3.109 -13.240 0.676 1.00 0.00 N ATOM 854 CA LYS A 59 3.657 -12.166 -0.198 1.00 0.00 C ATOM 855 C LYS A 59 5.010 -11.731 0.355 1.00 0.00 C ATOM 856 O LYS A 59 5.994 -11.660 -0.355 1.00 0.00 O ATOM 857 CB LYS A 59 2.647 -11.021 -0.119 1.00 0.00 C ATOM 858 CG LYS A 59 2.724 -10.186 -1.401 1.00 0.00 C ATOM 859 CD LYS A 59 4.028 -9.386 -1.412 1.00 0.00 C ATOM 860 CE LYS A 59 3.891 -8.200 -2.369 1.00 0.00 C ATOM 861 NZ LYS A 59 4.695 -7.111 -1.746 1.00 0.00 N ATOM 0 H LYS A 59 2.262 -12.997 1.190 1.00 0.00 H new ATOM 0 HA LYS A 59 3.803 -12.488 -1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.640 -11.418 0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.857 -10.396 0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.677 -10.836 -2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.870 -9.511 -1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.258 -9.032 -0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.856 -10.024 -1.722 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.265 -8.448 -3.362 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.848 -7.904 -2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.651 -6.261 -2.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.312 -6.892 -0.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.684 -7.419 -1.654 1.00 0.00 H new ATOM 875 N LYS A 60 5.069 -11.461 1.629 1.00 0.00 N ATOM 876 CA LYS A 60 6.361 -11.056 2.243 1.00 0.00 C ATOM 877 C LYS A 60 7.320 -12.251 2.247 1.00 0.00 C ATOM 878 O LYS A 60 8.520 -12.097 2.130 1.00 0.00 O ATOM 879 CB LYS A 60 6.006 -10.638 3.673 1.00 0.00 C ATOM 880 CG LYS A 60 7.276 -10.576 4.527 1.00 0.00 C ATOM 881 CD LYS A 60 8.092 -9.341 4.143 1.00 0.00 C ATOM 882 CE LYS A 60 8.827 -8.814 5.377 1.00 0.00 C ATOM 883 NZ LYS A 60 8.081 -7.583 5.767 1.00 0.00 N ATOM 0 H LYS A 60 4.277 -11.504 2.271 1.00 0.00 H new ATOM 0 HA LYS A 60 6.853 -10.249 1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.514 -9.665 3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.301 -11.348 4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.014 -10.537 5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.870 -11.478 4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.807 -9.593 3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.436 -8.569 3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.826 -9.549 6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.870 -8.590 5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.524 -7.161 6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.105 -6.900 4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.094 -7.829 5.982 1.00 0.00 H new ATOM 897 N LEU A 61 6.798 -13.443 2.383 1.00 0.00 N ATOM 898 CA LEU A 61 7.677 -14.647 2.394 1.00 0.00 C ATOM 899 C LEU A 61 8.112 -15.008 0.971 1.00 0.00 C ATOM 900 O LEU A 61 8.812 -15.976 0.752 1.00 0.00 O ATOM 901 CB LEU A 61 6.815 -15.757 2.993 1.00 0.00 C ATOM 902 CG LEU A 61 6.503 -15.425 4.453 1.00 0.00 C ATOM 903 CD1 LEU A 61 5.885 -16.649 5.133 1.00 0.00 C ATOM 904 CD2 LEU A 61 7.794 -15.036 5.175 1.00 0.00 C ATOM 0 H LEU A 61 5.801 -13.633 2.487 1.00 0.00 H new ATOM 0 HA LEU A 61 8.590 -14.485 2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.890 -15.860 2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.336 -16.712 2.929 1.00 0.00 H new ATOM 0 HG LEU A 61 5.800 -14.593 4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.662 -16.413 6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.965 -16.925 4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.587 -17.481 5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.572 -14.799 6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.498 -15.867 5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.233 -14.164 4.690 1.00 0.00 H new