USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 458 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 50 ASN : amide:sc= -2.91! C(o=-2.6!,f=-3.7!) USER MOD Set 1.2: A 52 THR OG1 : rot -88:sc= 0.283 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.715 K(o=-0.71,f=-2.2) USER MOD Single : A 55 THR OG1 : rot 147:sc= 0.448 USER MOD Single : A 56 ASN : amide:sc= 0.505 K(o=0.5,f=-4!) USER MOD Single : A 58 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-3.3!) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 71 THR OG1 : rot 42:sc= 0.208 USER MOD Single : A 72 THR OG1 : rot 36:sc= 0.397 USER MOD Single : A 75 SER OG : rot 150:sc= -0.393 USER MOD Single : A 78 MET CE :methyl 132:sc= -2.57 (180deg=-6.91!) USER MOD Single : A 79 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.173) USER MOD Single : A 98 THR OG1 : rot 110:sc= -0.238 USER MOD Single : A 101 CYS SG : rot 27:sc= 0.17 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.88 USER MOD Single : A 105 ASN : amide:sc= -0.134 K(o=-0.13,f=-5.1!) USER MOD Single : A 108 ASN : amide:sc= -2.16 K(o=-2.2,f=-3.5) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0.46) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 84 N PRO A 34 86.301 18.591 -4.996 1.00 0.00 N ATOM 85 CA PRO A 34 85.471 17.481 -5.564 1.00 0.00 C ATOM 86 C PRO A 34 86.206 16.780 -6.715 1.00 0.00 C ATOM 87 O PRO A 34 86.667 17.423 -7.642 1.00 0.00 O ATOM 88 CB PRO A 34 84.227 18.214 -6.087 1.00 0.00 C ATOM 89 CG PRO A 34 84.204 19.482 -5.307 1.00 0.00 C ATOM 90 CD PRO A 34 85.639 19.894 -5.214 1.00 0.00 C ATOM 0 HA PRO A 34 85.243 16.702 -4.837 1.00 0.00 H new ATOM 0 HB2 PRO A 34 84.297 18.405 -7.158 1.00 0.00 H new ATOM 0 HB3 PRO A 34 83.321 17.629 -5.926 1.00 0.00 H new ATOM 0 HG2 PRO A 34 83.605 20.243 -5.806 1.00 0.00 H new ATOM 0 HG3 PRO A 34 83.770 19.332 -4.319 1.00 0.00 H new ATOM 0 HD2 PRO A 34 85.986 20.384 -6.124 1.00 0.00 H new ATOM 0 HD3 PRO A 34 85.815 20.587 -4.392 1.00 0.00 H new ATOM 98 N PHE A 35 86.318 15.471 -6.657 1.00 0.00 N ATOM 99 CA PHE A 35 86.702 14.678 -7.869 1.00 0.00 C ATOM 100 C PHE A 35 86.205 13.229 -7.740 1.00 0.00 C ATOM 101 O PHE A 35 86.954 12.282 -7.920 1.00 0.00 O ATOM 102 CB PHE A 35 88.235 14.744 -7.944 1.00 0.00 C ATOM 103 CG PHE A 35 88.947 14.242 -6.707 1.00 0.00 C ATOM 104 CD1 PHE A 35 89.196 15.135 -5.620 1.00 0.00 C ATOM 105 CD2 PHE A 35 89.372 12.878 -6.621 1.00 0.00 C ATOM 106 CE1 PHE A 35 89.868 14.669 -4.449 1.00 0.00 C ATOM 107 CE2 PHE A 35 90.044 12.411 -5.450 1.00 0.00 C ATOM 108 CZ PHE A 35 90.293 13.306 -4.364 1.00 0.00 C ATOM 0 H PHE A 35 86.158 14.916 -5.816 1.00 0.00 H new ATOM 0 HA PHE A 35 86.252 15.077 -8.778 1.00 0.00 H new ATOM 0 HB2 PHE A 35 88.569 14.161 -8.802 1.00 0.00 H new ATOM 0 HB3 PHE A 35 88.533 15.777 -8.125 1.00 0.00 H new ATOM 0 HD1 PHE A 35 88.875 16.164 -5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 35 89.185 12.201 -7.442 1.00 0.00 H new ATOM 0 HE1 PHE A 35 90.055 15.345 -3.628 1.00 0.00 H new ATOM 0 HE2 PHE A 35 90.364 11.381 -5.385 1.00 0.00 H new ATOM 0 HZ PHE A 35 90.802 12.953 -3.479 1.00 0.00 H new ATOM 118 N LEU A 36 84.936 13.057 -7.438 1.00 0.00 N ATOM 119 CA LEU A 36 84.362 11.687 -7.258 1.00 0.00 C ATOM 120 C LEU A 36 82.844 11.718 -7.451 1.00 0.00 C ATOM 121 O LEU A 36 82.133 12.334 -6.677 1.00 0.00 O ATOM 122 CB LEU A 36 84.715 11.296 -5.822 1.00 0.00 C ATOM 123 CG LEU A 36 84.394 9.817 -5.598 1.00 0.00 C ATOM 124 CD1 LEU A 36 85.415 8.951 -6.340 1.00 0.00 C ATOM 125 CD2 LEU A 36 84.455 9.505 -4.102 1.00 0.00 C ATOM 0 H LEU A 36 84.269 13.818 -7.308 1.00 0.00 H new ATOM 0 HA LEU A 36 84.757 10.975 -7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 36 85.772 11.481 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.153 11.911 -5.119 1.00 0.00 H new ATOM 0 HG LEU A 36 83.395 9.602 -5.976 1.00 0.00 H new ATOM 0 HD11 LEU A 36 85.184 7.898 -6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 36 85.373 9.173 -7.406 1.00 0.00 H new ATOM 0 HD13 LEU A 36 86.415 9.165 -5.964 1.00 0.00 H new ATOM 0 HD21 LEU A 36 84.227 8.452 -3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 36 85.455 9.721 -3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 36 83.727 10.120 -3.572 1.00 0.00 H new ATOM 137 N LYS A 37 82.356 11.058 -8.477 1.00 0.00 N ATOM 138 CA LYS A 37 80.882 10.998 -8.725 1.00 0.00 C ATOM 139 C LYS A 37 80.316 9.669 -8.217 1.00 0.00 C ATOM 140 O LYS A 37 80.840 8.613 -8.529 1.00 0.00 O ATOM 141 CB LYS A 37 80.738 11.092 -10.245 1.00 0.00 C ATOM 142 CG LYS A 37 79.284 11.404 -10.604 1.00 0.00 C ATOM 143 CD LYS A 37 79.132 11.434 -12.127 1.00 0.00 C ATOM 144 CE LYS A 37 77.809 12.107 -12.496 1.00 0.00 C ATOM 145 NZ LYS A 37 77.992 12.564 -13.903 1.00 0.00 N ATOM 0 H LYS A 37 82.924 10.554 -9.158 1.00 0.00 H new ATOM 0 HA LYS A 37 80.341 11.792 -8.211 1.00 0.00 H new ATOM 0 HB2 LYS A 37 81.395 11.870 -10.635 1.00 0.00 H new ATOM 0 HB3 LYS A 37 81.044 10.154 -10.708 1.00 0.00 H new ATOM 0 HG2 LYS A 37 78.622 10.651 -10.176 1.00 0.00 H new ATOM 0 HG3 LYS A 37 78.991 12.364 -10.179 1.00 0.00 H new ATOM 0 HD2 LYS A 37 79.965 11.976 -12.575 1.00 0.00 H new ATOM 0 HD3 LYS A 37 79.160 10.420 -12.526 1.00 0.00 H new ATOM 0 HE2 LYS A 37 76.974 11.411 -12.412 1.00 0.00 H new ATOM 0 HE3 LYS A 37 77.593 12.945 -11.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 77.125 13.037 -14.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 78.789 13.230 -13.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 78.189 11.744 -14.511 1.00 0.00 H new ATOM 159 N CYS A 38 79.257 9.721 -7.442 1.00 0.00 N ATOM 160 CA CYS A 38 78.648 8.466 -6.886 1.00 0.00 C ATOM 161 C CYS A 38 77.245 8.270 -7.467 1.00 0.00 C ATOM 162 O CYS A 38 76.502 9.223 -7.621 1.00 0.00 O ATOM 163 CB CYS A 38 78.547 8.675 -5.366 1.00 0.00 C ATOM 164 SG CYS A 38 80.184 8.947 -4.629 1.00 0.00 S ATOM 0 H CYS A 38 78.785 10.583 -7.169 1.00 0.00 H new ATOM 0 HA CYS A 38 79.247 7.590 -7.134 1.00 0.00 H new ATOM 0 HB2 CYS A 38 77.904 9.530 -5.156 1.00 0.00 H new ATOM 0 HB3 CYS A 38 78.079 7.804 -4.907 1.00 0.00 H new ATOM 169 N TYR A 39 76.889 7.046 -7.788 1.00 0.00 N ATOM 170 CA TYR A 39 75.505 6.757 -8.291 1.00 0.00 C ATOM 171 C TYR A 39 74.549 6.566 -7.109 1.00 0.00 C ATOM 172 O TYR A 39 74.920 6.001 -6.095 1.00 0.00 O ATOM 173 CB TYR A 39 75.627 5.461 -9.097 1.00 0.00 C ATOM 174 CG TYR A 39 74.346 5.045 -9.779 1.00 0.00 C ATOM 175 CD1 TYR A 39 74.053 5.509 -11.099 1.00 0.00 C ATOM 176 CD2 TYR A 39 73.423 4.190 -9.102 1.00 0.00 C ATOM 177 CE1 TYR A 39 72.838 5.119 -11.741 1.00 0.00 C ATOM 178 CE2 TYR A 39 72.206 3.799 -9.744 1.00 0.00 C ATOM 179 CZ TYR A 39 71.914 4.263 -11.063 1.00 0.00 C ATOM 180 OH TYR A 39 70.740 3.886 -11.683 1.00 0.00 O ATOM 0 H TYR A 39 77.500 6.232 -7.723 1.00 0.00 H new ATOM 0 HA TYR A 39 75.110 7.571 -8.898 1.00 0.00 H new ATOM 0 HB2 TYR A 39 76.405 5.584 -9.850 1.00 0.00 H new ATOM 0 HB3 TYR A 39 75.951 4.660 -8.432 1.00 0.00 H new ATOM 0 HD1 TYR A 39 74.751 6.155 -11.611 1.00 0.00 H new ATOM 0 HD2 TYR A 39 73.644 3.839 -8.105 1.00 0.00 H new ATOM 0 HE1 TYR A 39 72.617 5.470 -12.738 1.00 0.00 H new ATOM 0 HE2 TYR A 39 71.508 3.153 -9.232 1.00 0.00 H new ATOM 0 HH TYR A 39 70.227 3.303 -11.085 1.00 0.00 H new ATOM 190 N CYS A 40 73.325 7.035 -7.240 1.00 0.00 N ATOM 191 CA CYS A 40 72.339 6.938 -6.112 1.00 0.00 C ATOM 192 C CYS A 40 71.184 5.999 -6.484 1.00 0.00 C ATOM 193 O CYS A 40 70.681 6.042 -7.594 1.00 0.00 O ATOM 194 CB CYS A 40 71.844 8.377 -5.851 1.00 0.00 C ATOM 195 SG CYS A 40 71.023 9.090 -7.309 1.00 0.00 S ATOM 0 H CYS A 40 72.967 7.482 -8.084 1.00 0.00 H new ATOM 0 HA CYS A 40 72.793 6.519 -5.214 1.00 0.00 H new ATOM 0 HB2 CYS A 40 71.151 8.375 -5.010 1.00 0.00 H new ATOM 0 HB3 CYS A 40 72.688 9.005 -5.567 1.00 0.00 H new ATOM 200 N SER A 41 70.769 5.161 -5.562 1.00 0.00 N ATOM 201 CA SER A 41 69.625 4.232 -5.822 1.00 0.00 C ATOM 202 C SER A 41 68.525 4.448 -4.781 1.00 0.00 C ATOM 203 O SER A 41 68.796 4.520 -3.595 1.00 0.00 O ATOM 204 CB SER A 41 70.219 2.828 -5.689 1.00 0.00 C ATOM 205 OG SER A 41 69.236 1.866 -6.040 1.00 0.00 O ATOM 0 H SER A 41 71.179 5.082 -4.632 1.00 0.00 H new ATOM 0 HA SER A 41 69.174 4.394 -6.801 1.00 0.00 H new ATOM 0 HB2 SER A 41 71.090 2.727 -6.336 1.00 0.00 H new ATOM 0 HB3 SER A 41 70.560 2.660 -4.667 1.00 0.00 H new ATOM 0 HG SER A 41 69.615 0.966 -5.957 1.00 0.00 H new ATOM 211 N GLY A 42 67.292 4.551 -5.222 1.00 0.00 N ATOM 212 CA GLY A 42 66.151 4.759 -4.279 1.00 0.00 C ATOM 213 C GLY A 42 66.126 6.219 -3.815 1.00 0.00 C ATOM 214 O GLY A 42 65.207 6.955 -4.129 1.00 0.00 O ATOM 0 H GLY A 42 67.028 4.499 -6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 42 65.211 4.507 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 42 66.251 4.096 -3.420 1.00 0.00 H new ATOM 218 N HIS A 43 67.130 6.633 -3.073 1.00 0.00 N ATOM 219 CA HIS A 43 67.161 8.025 -2.526 1.00 0.00 C ATOM 220 C HIS A 43 68.260 8.846 -3.207 1.00 0.00 C ATOM 221 O HIS A 43 69.419 8.472 -3.191 1.00 0.00 O ATOM 222 CB HIS A 43 67.463 7.857 -1.037 1.00 0.00 C ATOM 223 CG HIS A 43 66.383 7.131 -0.283 1.00 0.00 C ATOM 224 ND1 HIS A 43 66.597 6.582 0.972 1.00 0.00 N ATOM 225 CD2 HIS A 43 65.074 6.853 -0.593 1.00 0.00 C ATOM 226 CE1 HIS A 43 65.446 6.010 1.367 1.00 0.00 C ATOM 227 NE2 HIS A 43 64.484 6.146 0.450 1.00 0.00 N ATOM 0 H HIS A 43 67.935 6.058 -2.823 1.00 0.00 H new ATOM 0 HA HIS A 43 66.223 8.554 -2.698 1.00 0.00 H new ATOM 0 HB2 HIS A 43 68.401 7.314 -0.924 1.00 0.00 H new ATOM 0 HB3 HIS A 43 67.608 8.841 -0.591 1.00 0.00 H new ATOM 0 HD2 HIS A 43 64.578 7.140 -1.508 1.00 0.00 H new ATOM 0 HE1 HIS A 43 65.315 5.502 2.311 1.00 0.00 H new ATOM 0 HE2 HIS A 43 63.524 5.805 0.503 1.00 0.00 H new ATOM 235 N CYS A 44 67.893 9.960 -3.800 1.00 0.00 N ATOM 236 CA CYS A 44 68.902 10.885 -4.404 1.00 0.00 C ATOM 237 C CYS A 44 68.522 12.341 -4.071 1.00 0.00 C ATOM 238 O CYS A 44 67.360 12.688 -4.177 1.00 0.00 O ATOM 239 CB CYS A 44 68.811 10.628 -5.916 1.00 0.00 C ATOM 240 SG CYS A 44 70.417 10.922 -6.700 1.00 0.00 S ATOM 0 H CYS A 44 66.925 10.269 -3.891 1.00 0.00 H new ATOM 0 HA CYS A 44 69.912 10.721 -4.029 1.00 0.00 H new ATOM 0 HB2 CYS A 44 68.491 9.602 -6.099 1.00 0.00 H new ATOM 0 HB3 CYS A 44 68.058 11.280 -6.358 1.00 0.00 H new ATOM 245 N PRO A 45 69.492 13.164 -3.679 1.00 0.00 N ATOM 246 CA PRO A 45 69.166 14.518 -3.132 1.00 0.00 C ATOM 247 C PRO A 45 68.416 15.371 -4.169 1.00 0.00 C ATOM 248 O PRO A 45 68.574 15.186 -5.362 1.00 0.00 O ATOM 249 CB PRO A 45 70.533 15.130 -2.798 1.00 0.00 C ATOM 250 CG PRO A 45 71.533 14.314 -3.549 1.00 0.00 C ATOM 251 CD PRO A 45 70.951 12.939 -3.705 1.00 0.00 C ATOM 0 HA PRO A 45 68.510 14.467 -2.263 1.00 0.00 H new ATOM 0 HB2 PRO A 45 70.577 16.177 -3.097 1.00 0.00 H new ATOM 0 HB3 PRO A 45 70.726 15.097 -1.726 1.00 0.00 H new ATOM 0 HG2 PRO A 45 71.739 14.758 -4.523 1.00 0.00 H new ATOM 0 HG3 PRO A 45 72.480 14.273 -3.010 1.00 0.00 H new ATOM 0 HD2 PRO A 45 71.267 12.476 -4.640 1.00 0.00 H new ATOM 0 HD3 PRO A 45 71.267 12.278 -2.898 1.00 0.00 H new ATOM 259 N ASP A 46 67.609 16.302 -3.708 1.00 0.00 N ATOM 260 CA ASP A 46 66.709 17.078 -4.634 1.00 0.00 C ATOM 261 C ASP A 46 67.520 17.852 -5.684 1.00 0.00 C ATOM 262 O ASP A 46 67.037 18.102 -6.776 1.00 0.00 O ATOM 263 CB ASP A 46 65.935 18.058 -3.742 1.00 0.00 C ATOM 264 CG ASP A 46 64.792 18.684 -4.541 1.00 0.00 C ATOM 265 OD1 ASP A 46 63.747 18.059 -4.632 1.00 0.00 O ATOM 266 OD2 ASP A 46 64.978 19.777 -5.049 1.00 0.00 O ATOM 0 H ASP A 46 67.533 16.561 -2.724 1.00 0.00 H new ATOM 0 HA ASP A 46 66.046 16.408 -5.181 1.00 0.00 H new ATOM 0 HB2 ASP A 46 65.540 17.537 -2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 46 66.604 18.836 -3.373 1.00 0.00 H new ATOM 271 N ASP A 47 68.738 18.226 -5.359 1.00 0.00 N ATOM 272 CA ASP A 47 69.580 19.018 -6.316 1.00 0.00 C ATOM 273 C ASP A 47 70.462 18.107 -7.189 1.00 0.00 C ATOM 274 O ASP A 47 71.385 18.580 -7.831 1.00 0.00 O ATOM 275 CB ASP A 47 70.436 19.953 -5.439 1.00 0.00 C ATOM 276 CG ASP A 47 71.350 19.154 -4.497 1.00 0.00 C ATOM 277 OD1 ASP A 47 70.829 18.369 -3.722 1.00 0.00 O ATOM 278 OD2 ASP A 47 72.553 19.343 -4.570 1.00 0.00 O ATOM 0 H ASP A 47 69.187 18.015 -4.468 1.00 0.00 H new ATOM 0 HA ASP A 47 68.960 19.579 -7.015 1.00 0.00 H new ATOM 0 HB2 ASP A 47 71.041 20.599 -6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 47 69.785 20.602 -4.853 1.00 0.00 H new ATOM 283 N ALA A 48 70.188 16.818 -7.222 1.00 0.00 N ATOM 284 CA ALA A 48 71.113 15.856 -7.908 1.00 0.00 C ATOM 285 C ALA A 48 70.926 15.933 -9.425 1.00 0.00 C ATOM 286 O ALA A 48 69.924 16.432 -9.906 1.00 0.00 O ATOM 287 CB ALA A 48 70.729 14.465 -7.390 1.00 0.00 C ATOM 0 H ALA A 48 69.361 16.393 -6.802 1.00 0.00 H new ATOM 0 HA ALA A 48 72.158 16.084 -7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 48 71.369 13.715 -7.854 1.00 0.00 H new ATOM 0 HB2 ALA A 48 70.856 14.432 -6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 48 69.688 14.258 -7.640 1.00 0.00 H new ATOM 293 N ILE A 49 71.889 15.437 -10.173 1.00 0.00 N ATOM 294 CA ILE A 49 71.829 15.528 -11.669 1.00 0.00 C ATOM 295 C ILE A 49 71.997 14.123 -12.259 1.00 0.00 C ATOM 296 O ILE A 49 72.819 13.358 -11.800 1.00 0.00 O ATOM 297 CB ILE A 49 72.989 16.454 -12.089 1.00 0.00 C ATOM 298 CG1 ILE A 49 72.857 17.827 -11.410 1.00 0.00 C ATOM 299 CG2 ILE A 49 72.969 16.663 -13.611 1.00 0.00 C ATOM 300 CD1 ILE A 49 74.167 18.606 -11.563 1.00 0.00 C ATOM 0 H ILE A 49 72.719 14.970 -9.807 1.00 0.00 H new ATOM 0 HA ILE A 49 70.879 15.925 -12.027 1.00 0.00 H new ATOM 0 HB ILE A 49 73.924 15.983 -11.785 1.00 0.00 H new ATOM 0 HG12 ILE A 49 72.035 18.387 -11.857 1.00 0.00 H new ATOM 0 HG13 ILE A 49 72.619 17.700 -10.354 1.00 0.00 H new ATOM 0 HG21 ILE A 49 73.791 17.318 -13.899 1.00 0.00 H new ATOM 0 HG22 ILE A 49 73.079 15.701 -14.112 1.00 0.00 H new ATOM 0 HG23 ILE A 49 72.023 17.118 -13.903 1.00 0.00 H new ATOM 0 HD11 ILE A 49 74.070 19.579 -11.081 1.00 0.00 H new ATOM 0 HD12 ILE A 49 74.979 18.048 -11.096 1.00 0.00 H new ATOM 0 HD13 ILE A 49 74.386 18.746 -12.622 1.00 0.00 H new ATOM 312 N ASN A 50 71.208 13.792 -13.268 1.00 0.00 N ATOM 313 CA ASN A 50 71.189 12.413 -13.889 1.00 0.00 C ATOM 314 C ASN A 50 71.355 11.276 -12.856 1.00 0.00 C ATOM 315 O ASN A 50 72.085 10.327 -13.074 1.00 0.00 O ATOM 316 CB ASN A 50 72.307 12.404 -14.947 1.00 0.00 C ATOM 317 CG ASN A 50 73.692 12.557 -14.308 1.00 0.00 C ATOM 318 OD1 ASN A 50 74.185 11.644 -13.678 1.00 0.00 O ATOM 319 ND2 ASN A 50 74.345 13.678 -14.451 1.00 0.00 N ATOM 0 H ASN A 50 70.554 14.444 -13.701 1.00 0.00 H new ATOM 0 HA ASN A 50 70.216 12.217 -14.339 1.00 0.00 H new ATOM 0 HB2 ASN A 50 72.267 11.472 -15.511 1.00 0.00 H new ATOM 0 HB3 ASN A 50 72.142 13.214 -15.658 1.00 0.00 H new ATOM 0 HD21 ASN A 50 75.269 13.787 -14.033 1.00 0.00 H new ATOM 0 HD22 ASN A 50 73.931 14.445 -14.980 1.00 0.00 H new ATOM 326 N ASN A 51 70.669 11.383 -11.732 1.00 0.00 N ATOM 327 CA ASN A 51 70.738 10.343 -10.642 1.00 0.00 C ATOM 328 C ASN A 51 72.187 10.112 -10.175 1.00 0.00 C ATOM 329 O ASN A 51 72.609 8.985 -9.969 1.00 0.00 O ATOM 330 CB ASN A 51 70.136 9.060 -11.243 1.00 0.00 C ATOM 331 CG ASN A 51 69.657 8.143 -10.116 1.00 0.00 C ATOM 332 OD1 ASN A 51 68.847 8.537 -9.299 1.00 0.00 O ATOM 333 ND2 ASN A 51 70.123 6.927 -10.037 1.00 0.00 N ATOM 0 H ASN A 51 70.050 12.166 -11.521 1.00 0.00 H new ATOM 0 HA ASN A 51 70.187 10.664 -9.758 1.00 0.00 H new ATOM 0 HB2 ASN A 51 69.304 9.310 -11.901 1.00 0.00 H new ATOM 0 HB3 ASN A 51 70.881 8.547 -11.852 1.00 0.00 H new ATOM 0 HD21 ASN A 51 69.808 6.308 -9.290 1.00 0.00 H new ATOM 0 HD22 ASN A 51 70.802 6.596 -10.722 1.00 0.00 H new ATOM 340 N THR A 52 72.944 11.176 -10.011 1.00 0.00 N ATOM 341 CA THR A 52 74.302 11.062 -9.385 1.00 0.00 C ATOM 342 C THR A 52 74.580 12.266 -8.481 1.00 0.00 C ATOM 343 O THR A 52 73.889 13.270 -8.549 1.00 0.00 O ATOM 344 CB THR A 52 75.289 11.045 -10.554 1.00 0.00 C ATOM 345 OG1 THR A 52 75.078 12.191 -11.365 1.00 0.00 O ATOM 346 CG2 THR A 52 75.086 9.776 -11.388 1.00 0.00 C ATOM 0 H THR A 52 72.677 12.121 -10.286 1.00 0.00 H new ATOM 0 HA THR A 52 74.385 10.169 -8.765 1.00 0.00 H new ATOM 0 HB THR A 52 76.308 11.056 -10.167 1.00 0.00 H new ATOM 0 HG1 THR A 52 74.397 11.992 -12.042 1.00 0.00 H new ATOM 0 HG21 THR A 52 75.792 9.770 -12.219 1.00 0.00 H new ATOM 0 HG22 THR A 52 75.254 8.899 -10.763 1.00 0.00 H new ATOM 0 HG23 THR A 52 74.068 9.755 -11.777 1.00 0.00 H new ATOM 354 N CYS A 53 75.589 12.165 -7.641 1.00 0.00 N ATOM 355 CA CYS A 53 75.986 13.315 -6.768 1.00 0.00 C ATOM 356 C CYS A 53 77.514 13.454 -6.721 1.00 0.00 C ATOM 357 O CYS A 53 78.234 12.540 -7.079 1.00 0.00 O ATOM 358 CB CYS A 53 75.400 13.022 -5.370 1.00 0.00 C ATOM 359 SG CYS A 53 76.025 11.455 -4.689 1.00 0.00 S ATOM 0 H CYS A 53 76.157 11.326 -7.525 1.00 0.00 H new ATOM 0 HA CYS A 53 75.604 14.260 -7.153 1.00 0.00 H new ATOM 0 HB2 CYS A 53 75.651 13.838 -4.693 1.00 0.00 H new ATOM 0 HB3 CYS A 53 74.313 12.983 -5.433 1.00 0.00 H new ATOM 364 N ILE A 54 77.994 14.592 -6.276 1.00 0.00 N ATOM 365 CA ILE A 54 79.467 14.870 -6.286 1.00 0.00 C ATOM 366 C ILE A 54 79.975 14.939 -4.840 1.00 0.00 C ATOM 367 O ILE A 54 79.381 15.598 -4.004 1.00 0.00 O ATOM 368 CB ILE A 54 79.617 16.233 -6.999 1.00 0.00 C ATOM 369 CG1 ILE A 54 79.067 16.148 -8.431 1.00 0.00 C ATOM 370 CG2 ILE A 54 81.097 16.635 -7.077 1.00 0.00 C ATOM 371 CD1 ILE A 54 78.889 17.558 -8.997 1.00 0.00 C ATOM 0 H ILE A 54 77.421 15.349 -5.902 1.00 0.00 H new ATOM 0 HA ILE A 54 80.045 14.098 -6.794 1.00 0.00 H new ATOM 0 HB ILE A 54 79.059 16.974 -6.427 1.00 0.00 H new ATOM 0 HG12 ILE A 54 79.749 15.576 -9.060 1.00 0.00 H new ATOM 0 HG13 ILE A 54 78.113 15.621 -8.434 1.00 0.00 H new ATOM 0 HG21 ILE A 54 81.187 17.597 -7.582 1.00 0.00 H new ATOM 0 HG22 ILE A 54 81.506 16.714 -6.070 1.00 0.00 H new ATOM 0 HG23 ILE A 54 81.650 15.880 -7.635 1.00 0.00 H new ATOM 0 HD11 ILE A 54 78.499 17.496 -10.013 1.00 0.00 H new ATOM 0 HD12 ILE A 54 78.190 18.115 -8.373 1.00 0.00 H new ATOM 0 HD13 ILE A 54 79.851 18.070 -9.009 1.00 0.00 H new ATOM 383 N THR A 55 81.066 14.264 -4.548 1.00 0.00 N ATOM 384 CA THR A 55 81.603 14.243 -3.148 1.00 0.00 C ATOM 385 C THR A 55 83.135 14.343 -3.142 1.00 0.00 C ATOM 386 O THR A 55 83.792 13.946 -4.088 1.00 0.00 O ATOM 387 CB THR A 55 81.131 12.908 -2.542 1.00 0.00 C ATOM 388 OG1 THR A 55 81.600 12.811 -1.206 1.00 0.00 O ATOM 389 CG2 THR A 55 81.653 11.709 -3.350 1.00 0.00 C ATOM 0 H THR A 55 81.608 13.725 -5.223 1.00 0.00 H new ATOM 0 HA THR A 55 81.243 15.093 -2.569 1.00 0.00 H new ATOM 0 HB THR A 55 80.041 12.887 -2.567 1.00 0.00 H new ATOM 0 HG1 THR A 55 80.945 12.324 -0.664 1.00 0.00 H new ATOM 0 HG21 THR A 55 81.301 10.783 -2.895 1.00 0.00 H new ATOM 0 HG22 THR A 55 81.285 11.773 -4.374 1.00 0.00 H new ATOM 0 HG23 THR A 55 82.743 11.720 -3.354 1.00 0.00 H new ATOM 397 N ASN A 56 83.693 14.874 -2.078 1.00 0.00 N ATOM 398 CA ASN A 56 85.170 14.761 -1.841 1.00 0.00 C ATOM 399 C ASN A 56 85.454 13.802 -0.677 1.00 0.00 C ATOM 400 O ASN A 56 86.422 13.969 0.043 1.00 0.00 O ATOM 401 CB ASN A 56 85.670 16.183 -1.522 1.00 0.00 C ATOM 402 CG ASN A 56 84.927 16.777 -0.314 1.00 0.00 C ATOM 403 OD1 ASN A 56 83.720 16.918 -0.340 1.00 0.00 O ATOM 404 ND2 ASN A 56 85.604 17.131 0.742 1.00 0.00 N ATOM 0 H ASN A 56 83.184 15.385 -1.357 1.00 0.00 H new ATOM 0 HA ASN A 56 85.683 14.357 -2.714 1.00 0.00 H new ATOM 0 HB2 ASN A 56 86.740 16.157 -1.317 1.00 0.00 H new ATOM 0 HB3 ASN A 56 85.527 16.825 -2.391 1.00 0.00 H new ATOM 0 HD21 ASN A 56 85.121 17.527 1.548 1.00 0.00 H new ATOM 0 HD22 ASN A 56 86.617 17.012 0.762 1.00 0.00 H new ATOM 411 N GLY A 57 84.612 12.807 -0.493 1.00 0.00 N ATOM 412 CA GLY A 57 84.851 11.773 0.561 1.00 0.00 C ATOM 413 C GLY A 57 84.840 10.383 -0.083 1.00 0.00 C ATOM 414 O GLY A 57 85.844 9.932 -0.605 1.00 0.00 O ATOM 0 H GLY A 57 83.760 12.670 -1.037 1.00 0.00 H new ATOM 0 HA2 GLY A 57 85.808 11.952 1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 57 84.081 11.836 1.330 1.00 0.00 H new ATOM 418 N HIS A 58 83.711 9.711 -0.045 1.00 0.00 N ATOM 419 CA HIS A 58 83.589 8.366 -0.697 1.00 0.00 C ATOM 420 C HIS A 58 82.167 8.185 -1.233 1.00 0.00 C ATOM 421 O HIS A 58 81.296 8.999 -0.976 1.00 0.00 O ATOM 422 CB HIS A 58 83.865 7.320 0.395 1.00 0.00 C ATOM 423 CG HIS A 58 85.130 7.543 1.188 1.00 0.00 C ATOM 424 ND1 HIS A 58 85.240 8.546 2.138 1.00 0.00 N ATOM 425 CD2 HIS A 58 86.339 6.893 1.189 1.00 0.00 C ATOM 426 CE1 HIS A 58 86.476 8.472 2.666 1.00 0.00 C ATOM 427 NE2 HIS A 58 87.188 7.481 2.123 1.00 0.00 N ATOM 0 H HIS A 58 82.862 10.041 0.414 1.00 0.00 H new ATOM 0 HA HIS A 58 84.287 8.263 -1.528 1.00 0.00 H new ATOM 0 HB2 HIS A 58 83.020 7.305 1.084 1.00 0.00 H new ATOM 0 HB3 HIS A 58 83.915 6.336 -0.070 1.00 0.00 H new ATOM 0 HD2 HIS A 58 86.593 6.052 0.560 1.00 0.00 H new ATOM 0 HE1 HIS A 58 86.847 9.133 3.435 1.00 0.00 H new ATOM 0 HE2 HIS A 58 88.147 7.213 2.345 1.00 0.00 H new ATOM 435 N CYS A 59 81.937 7.130 -1.975 1.00 0.00 N ATOM 436 CA CYS A 59 80.535 6.708 -2.291 1.00 0.00 C ATOM 437 C CYS A 59 80.099 5.668 -1.258 1.00 0.00 C ATOM 438 O CYS A 59 80.881 4.805 -0.893 1.00 0.00 O ATOM 439 CB CYS A 59 80.569 6.070 -3.688 1.00 0.00 C ATOM 440 SG CYS A 59 81.191 7.230 -4.940 1.00 0.00 S ATOM 0 H CYS A 59 82.664 6.539 -2.378 1.00 0.00 H new ATOM 0 HA CYS A 59 79.840 7.548 -2.267 1.00 0.00 H new ATOM 0 HB2 CYS A 59 81.202 5.183 -3.668 1.00 0.00 H new ATOM 0 HB3 CYS A 59 79.567 5.741 -3.962 1.00 0.00 H new ATOM 445 N PHE A 60 78.872 5.738 -0.789 1.00 0.00 N ATOM 446 CA PHE A 60 78.400 4.768 0.252 1.00 0.00 C ATOM 447 C PHE A 60 77.054 4.152 -0.158 1.00 0.00 C ATOM 448 O PHE A 60 76.253 4.789 -0.820 1.00 0.00 O ATOM 449 CB PHE A 60 78.305 5.579 1.564 1.00 0.00 C ATOM 450 CG PHE A 60 77.071 6.452 1.718 1.00 0.00 C ATOM 451 CD1 PHE A 60 75.896 5.913 2.328 1.00 0.00 C ATOM 452 CD2 PHE A 60 77.078 7.805 1.257 1.00 0.00 C ATOM 453 CE1 PHE A 60 74.731 6.725 2.478 1.00 0.00 C ATOM 454 CE2 PHE A 60 75.911 8.616 1.408 1.00 0.00 C ATOM 455 CZ PHE A 60 74.738 8.077 2.018 1.00 0.00 C ATOM 0 H PHE A 60 78.178 6.426 -1.083 1.00 0.00 H new ATOM 0 HA PHE A 60 79.081 3.926 0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 60 78.340 4.883 2.402 1.00 0.00 H new ATOM 0 HB3 PHE A 60 79.187 6.214 1.640 1.00 0.00 H new ATOM 0 HD1 PHE A 60 75.889 4.891 2.676 1.00 0.00 H new ATOM 0 HD2 PHE A 60 77.964 8.214 0.795 1.00 0.00 H new ATOM 0 HE1 PHE A 60 73.844 6.317 2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 60 75.916 9.638 1.060 1.00 0.00 H new ATOM 0 HZ PHE A 60 73.857 8.691 2.131 1.00 0.00 H new ATOM 465 N ALA A 61 76.817 2.923 0.237 1.00 0.00 N ATOM 466 CA ALA A 61 75.515 2.253 -0.066 1.00 0.00 C ATOM 467 C ALA A 61 75.210 1.214 1.013 1.00 0.00 C ATOM 468 O ALA A 61 76.104 0.555 1.512 1.00 0.00 O ATOM 469 CB ALA A 61 75.717 1.580 -1.424 1.00 0.00 C ATOM 0 H ALA A 61 77.479 2.351 0.762 1.00 0.00 H new ATOM 0 HA ALA A 61 74.679 2.952 -0.087 1.00 0.00 H new ATOM 0 HB1 ALA A 61 74.801 1.066 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 61 75.962 2.335 -2.171 1.00 0.00 H new ATOM 0 HB3 ALA A 61 76.532 0.859 -1.355 1.00 0.00 H new ATOM 475 N ILE A 62 73.954 1.069 1.370 1.00 0.00 N ATOM 476 CA ILE A 62 73.584 0.216 2.541 1.00 0.00 C ATOM 477 C ILE A 62 72.241 -0.495 2.287 1.00 0.00 C ATOM 478 O ILE A 62 71.381 0.020 1.594 1.00 0.00 O ATOM 479 CB ILE A 62 73.514 1.187 3.739 1.00 0.00 C ATOM 480 CG1 ILE A 62 73.220 0.405 5.025 1.00 0.00 C ATOM 481 CG2 ILE A 62 72.426 2.249 3.528 1.00 0.00 C ATOM 482 CD1 ILE A 62 73.508 1.290 6.240 1.00 0.00 C ATOM 0 H ILE A 62 73.166 1.509 0.895 1.00 0.00 H new ATOM 0 HA ILE A 62 74.306 -0.580 2.726 1.00 0.00 H new ATOM 0 HB ILE A 62 74.477 1.690 3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 62 72.179 0.082 5.036 1.00 0.00 H new ATOM 0 HG13 ILE A 62 73.834 -0.495 5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 62 72.400 2.919 4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 62 72.647 2.822 2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 62 71.458 1.761 3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 62 73.299 0.733 7.153 1.00 0.00 H new ATOM 0 HD12 ILE A 62 74.556 1.591 6.231 1.00 0.00 H new ATOM 0 HD13 ILE A 62 72.875 2.177 6.202 1.00 0.00 H new ATOM 494 N ILE A 63 72.075 -1.672 2.848 1.00 0.00 N ATOM 495 CA ILE A 63 70.781 -2.417 2.737 1.00 0.00 C ATOM 496 C ILE A 63 70.406 -2.996 4.111 1.00 0.00 C ATOM 497 O ILE A 63 71.268 -3.398 4.869 1.00 0.00 O ATOM 498 CB ILE A 63 71.030 -3.525 1.686 1.00 0.00 C ATOM 499 CG1 ILE A 63 69.749 -4.345 1.479 1.00 0.00 C ATOM 500 CG2 ILE A 63 72.159 -4.464 2.132 1.00 0.00 C ATOM 501 CD1 ILE A 63 69.852 -5.152 0.183 1.00 0.00 C ATOM 0 H ILE A 63 72.795 -2.154 3.387 1.00 0.00 H new ATOM 0 HA ILE A 63 69.949 -1.783 2.430 1.00 0.00 H new ATOM 0 HB ILE A 63 71.321 -3.044 0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 63 69.595 -5.016 2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 63 68.885 -3.682 1.437 1.00 0.00 H new ATOM 0 HG21 ILE A 63 72.313 -5.233 1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 63 73.078 -3.892 2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 63 71.889 -4.934 3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 63 68.940 -5.732 0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 63 69.984 -4.473 -0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 63 70.706 -5.827 0.242 1.00 0.00 H new ATOM 513 N GLU A 64 69.129 -3.046 4.417 1.00 0.00 N ATOM 514 CA GLU A 64 68.682 -3.376 5.808 1.00 0.00 C ATOM 515 C GLU A 64 67.345 -4.120 5.762 1.00 0.00 C ATOM 516 O GLU A 64 66.537 -3.889 4.879 1.00 0.00 O ATOM 517 CB GLU A 64 68.515 -2.027 6.514 1.00 0.00 C ATOM 518 CG GLU A 64 69.884 -1.386 6.753 1.00 0.00 C ATOM 519 CD GLU A 64 69.720 -0.148 7.638 1.00 0.00 C ATOM 520 OE1 GLU A 64 69.790 -0.297 8.846 1.00 0.00 O ATOM 521 OE2 GLU A 64 69.527 0.925 7.092 1.00 0.00 O ATOM 0 H GLU A 64 68.372 -2.871 3.756 1.00 0.00 H new ATOM 0 HA GLU A 64 69.395 -4.017 6.327 1.00 0.00 H new ATOM 0 HB2 GLU A 64 67.895 -1.365 5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 64 67.999 -2.166 7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.554 -2.101 7.230 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.339 -1.109 5.802 1.00 0.00 H new ATOM 528 N GLU A 65 67.116 -5.004 6.709 1.00 0.00 N ATOM 529 CA GLU A 65 65.879 -5.844 6.692 1.00 0.00 C ATOM 530 C GLU A 65 64.849 -5.287 7.685 1.00 0.00 C ATOM 531 O GLU A 65 65.092 -5.247 8.877 1.00 0.00 O ATOM 532 CB GLU A 65 66.361 -7.236 7.121 1.00 0.00 C ATOM 533 CG GLU A 65 65.216 -8.257 7.032 1.00 0.00 C ATOM 534 CD GLU A 65 64.450 -8.325 8.362 1.00 0.00 C ATOM 535 OE1 GLU A 65 65.067 -8.149 9.401 1.00 0.00 O ATOM 536 OE2 GLU A 65 63.257 -8.569 8.316 1.00 0.00 O ATOM 0 H GLU A 65 67.740 -5.178 7.497 1.00 0.00 H new ATOM 0 HA GLU A 65 65.390 -5.862 5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 65 67.188 -7.552 6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 65 66.741 -7.196 8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 65 64.535 -7.979 6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 65 65.616 -9.240 6.786 1.00 0.00 H new ATOM 543 N ASP A 66 63.708 -4.866 7.187 1.00 0.00 N ATOM 544 CA ASP A 66 62.674 -4.221 8.063 1.00 0.00 C ATOM 545 C ASP A 66 61.756 -5.282 8.685 1.00 0.00 C ATOM 546 O ASP A 66 61.856 -6.452 8.372 1.00 0.00 O ATOM 547 CB ASP A 66 61.885 -3.257 7.155 1.00 0.00 C ATOM 548 CG ASP A 66 61.206 -4.004 5.999 1.00 0.00 C ATOM 549 OD1 ASP A 66 60.373 -4.853 6.275 1.00 0.00 O ATOM 550 OD2 ASP A 66 61.530 -3.714 4.859 1.00 0.00 O ATOM 0 H ASP A 66 63.447 -4.942 6.204 1.00 0.00 H new ATOM 0 HA ASP A 66 63.130 -3.684 8.895 1.00 0.00 H new ATOM 0 HB2 ASP A 66 61.132 -2.734 7.745 1.00 0.00 H new ATOM 0 HB3 ASP A 66 62.558 -2.499 6.755 1.00 0.00 H new ATOM 555 N ASP A 67 60.859 -4.867 9.554 1.00 0.00 N ATOM 556 CA ASP A 67 60.029 -5.849 10.338 1.00 0.00 C ATOM 557 C ASP A 67 59.170 -6.739 9.420 1.00 0.00 C ATOM 558 O ASP A 67 58.693 -7.776 9.848 1.00 0.00 O ATOM 559 CB ASP A 67 59.124 -5.005 11.245 1.00 0.00 C ATOM 560 CG ASP A 67 59.979 -4.261 12.271 1.00 0.00 C ATOM 561 OD1 ASP A 67 60.863 -4.882 12.840 1.00 0.00 O ATOM 562 OD2 ASP A 67 59.736 -3.082 12.473 1.00 0.00 O ATOM 0 H ASP A 67 60.664 -3.886 9.756 1.00 0.00 H new ATOM 0 HA ASP A 67 60.672 -6.522 10.905 1.00 0.00 H new ATOM 0 HB2 ASP A 67 58.554 -4.294 10.647 1.00 0.00 H new ATOM 0 HB3 ASP A 67 58.402 -5.645 11.753 1.00 0.00 H new ATOM 567 N GLN A 68 58.970 -6.346 8.178 1.00 0.00 N ATOM 568 CA GLN A 68 58.174 -7.192 7.226 1.00 0.00 C ATOM 569 C GLN A 68 59.075 -8.139 6.412 1.00 0.00 C ATOM 570 O GLN A 68 58.577 -9.027 5.741 1.00 0.00 O ATOM 571 CB GLN A 68 57.471 -6.199 6.300 1.00 0.00 C ATOM 572 CG GLN A 68 56.374 -5.465 7.073 1.00 0.00 C ATOM 573 CD GLN A 68 55.706 -4.433 6.161 1.00 0.00 C ATOM 574 OE1 GLN A 68 56.364 -3.788 5.369 1.00 0.00 O ATOM 575 NE2 GLN A 68 54.417 -4.248 6.241 1.00 0.00 N ATOM 0 H GLN A 68 59.325 -5.475 7.784 1.00 0.00 H new ATOM 0 HA GLN A 68 57.473 -7.832 7.762 1.00 0.00 H new ATOM 0 HB2 GLN A 68 58.191 -5.484 5.903 1.00 0.00 H new ATOM 0 HB3 GLN A 68 57.040 -6.724 5.447 1.00 0.00 H new ATOM 0 HG2 GLN A 68 55.633 -6.177 7.437 1.00 0.00 H new ATOM 0 HG3 GLN A 68 56.799 -4.972 7.947 1.00 0.00 H new ATOM 0 HE21 GLN A 68 53.864 -4.789 6.906 1.00 0.00 H new ATOM 0 HE22 GLN A 68 53.962 -3.562 5.639 1.00 0.00 H new ATOM 584 N GLY A 69 60.382 -7.963 6.461 1.00 0.00 N ATOM 585 CA GLY A 69 61.313 -8.892 5.745 1.00 0.00 C ATOM 586 C GLY A 69 61.601 -8.399 4.317 1.00 0.00 C ATOM 587 O GLY A 69 62.028 -9.174 3.480 1.00 0.00 O ATOM 0 H GLY A 69 60.841 -7.209 6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.248 -8.973 6.300 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.877 -9.890 5.707 1.00 0.00 H new ATOM 591 N GLU A 70 61.369 -7.133 4.030 1.00 0.00 N ATOM 592 CA GLU A 70 61.836 -6.545 2.736 1.00 0.00 C ATOM 593 C GLU A 70 63.165 -5.816 2.947 1.00 0.00 C ATOM 594 O GLU A 70 63.392 -5.233 3.995 1.00 0.00 O ATOM 595 CB GLU A 70 60.742 -5.556 2.325 1.00 0.00 C ATOM 596 CG GLU A 70 59.467 -6.323 1.970 1.00 0.00 C ATOM 597 CD GLU A 70 58.404 -5.341 1.472 1.00 0.00 C ATOM 598 OE1 GLU A 70 57.826 -4.654 2.297 1.00 0.00 O ATOM 599 OE2 GLU A 70 58.186 -5.295 0.271 1.00 0.00 O ATOM 0 H GLU A 70 60.874 -6.484 4.642 1.00 0.00 H new ATOM 0 HA GLU A 70 62.001 -7.304 1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 70 60.544 -4.858 3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 70 61.073 -4.965 1.471 1.00 0.00 H new ATOM 0 HG2 GLU A 70 59.679 -7.067 1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 70 59.099 -6.862 2.843 1.00 0.00 H new ATOM 606 N THR A 71 64.037 -5.851 1.965 1.00 0.00 N ATOM 607 CA THR A 71 65.344 -5.130 2.071 1.00 0.00 C ATOM 608 C THR A 71 65.241 -3.745 1.429 1.00 0.00 C ATOM 609 O THR A 71 64.808 -3.614 0.297 1.00 0.00 O ATOM 610 CB THR A 71 66.354 -5.996 1.311 1.00 0.00 C ATOM 611 OG1 THR A 71 65.792 -6.418 0.077 1.00 0.00 O ATOM 612 CG2 THR A 71 66.717 -7.218 2.156 1.00 0.00 C ATOM 0 H THR A 71 63.896 -6.353 1.088 1.00 0.00 H new ATOM 0 HA THR A 71 65.640 -4.981 3.109 1.00 0.00 H new ATOM 0 HB THR A 71 67.253 -5.412 1.114 1.00 0.00 H new ATOM 0 HG1 THR A 71 65.309 -5.671 -0.335 1.00 0.00 H new ATOM 0 HG21 THR A 71 67.435 -7.834 1.615 1.00 0.00 H new ATOM 0 HG22 THR A 71 67.156 -6.891 3.099 1.00 0.00 H new ATOM 0 HG23 THR A 71 65.818 -7.801 2.357 1.00 0.00 H new ATOM 620 N THR A 72 65.638 -2.719 2.149 1.00 0.00 N ATOM 621 CA THR A 72 65.611 -1.331 1.591 1.00 0.00 C ATOM 622 C THR A 72 66.998 -0.937 1.076 1.00 0.00 C ATOM 623 O THR A 72 67.944 -0.848 1.841 1.00 0.00 O ATOM 624 CB THR A 72 65.201 -0.437 2.764 1.00 0.00 C ATOM 625 OG1 THR A 72 65.986 -0.759 3.903 1.00 0.00 O ATOM 626 CG2 THR A 72 63.721 -0.659 3.079 1.00 0.00 C ATOM 0 H THR A 72 65.982 -2.787 3.107 1.00 0.00 H new ATOM 0 HA THR A 72 64.924 -1.241 0.750 1.00 0.00 H new ATOM 0 HB THR A 72 65.362 0.608 2.500 1.00 0.00 H new ATOM 0 HG1 THR A 72 66.897 -0.983 3.620 1.00 0.00 H new ATOM 0 HG21 THR A 72 63.427 -0.023 3.914 1.00 0.00 H new ATOM 0 HG22 THR A 72 63.121 -0.409 2.204 1.00 0.00 H new ATOM 0 HG23 THR A 72 63.558 -1.704 3.344 1.00 0.00 H new ATOM 634 N LEU A 73 67.116 -0.705 -0.212 1.00 0.00 N ATOM 635 CA LEU A 73 68.431 -0.310 -0.807 1.00 0.00 C ATOM 636 C LEU A 73 68.509 1.211 -0.969 1.00 0.00 C ATOM 637 O LEU A 73 67.636 1.818 -1.563 1.00 0.00 O ATOM 638 CB LEU A 73 68.467 -0.991 -2.176 1.00 0.00 C ATOM 639 CG LEU A 73 68.909 -2.446 -2.012 1.00 0.00 C ATOM 640 CD1 LEU A 73 68.447 -3.260 -3.221 1.00 0.00 C ATOM 641 CD2 LEU A 73 70.434 -2.506 -1.911 1.00 0.00 C ATOM 0 H LEU A 73 66.349 -0.774 -0.881 1.00 0.00 H new ATOM 0 HA LEU A 73 69.270 -0.606 -0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 73 67.482 -0.950 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 73 69.154 -0.464 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 73 68.467 -2.860 -1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 73 68.762 -4.297 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 73 67.360 -3.217 -3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 73 68.889 -2.847 -4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 73 70.750 -3.542 -1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 73 70.875 -2.092 -2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 73 70.765 -1.926 -1.049 1.00 0.00 H new ATOM 653 N ALA A 74 69.547 1.819 -0.440 1.00 0.00 N ATOM 654 CA ALA A 74 69.759 3.287 -0.639 1.00 0.00 C ATOM 655 C ALA A 74 71.254 3.604 -0.727 1.00 0.00 C ATOM 656 O ALA A 74 72.064 2.980 -0.065 1.00 0.00 O ATOM 657 CB ALA A 74 69.146 3.948 0.597 1.00 0.00 C ATOM 0 H ALA A 74 70.260 1.356 0.124 1.00 0.00 H new ATOM 0 HA ALA A 74 69.305 3.645 -1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 74 69.262 5.030 0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 74 68.086 3.699 0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 74 69.653 3.587 1.492 1.00 0.00 H new ATOM 663 N SER A 75 71.614 4.568 -1.545 1.00 0.00 N ATOM 664 CA SER A 75 73.042 5.001 -1.650 1.00 0.00 C ATOM 665 C SER A 75 73.108 6.515 -1.863 1.00 0.00 C ATOM 666 O SER A 75 72.109 7.140 -2.182 1.00 0.00 O ATOM 667 CB SER A 75 73.604 4.254 -2.859 1.00 0.00 C ATOM 668 OG SER A 75 72.865 4.611 -4.019 1.00 0.00 O ATOM 0 H SER A 75 70.970 5.077 -2.150 1.00 0.00 H new ATOM 0 HA SER A 75 73.612 4.780 -0.748 1.00 0.00 H new ATOM 0 HB2 SER A 75 74.657 4.500 -2.995 1.00 0.00 H new ATOM 0 HB3 SER A 75 73.547 3.178 -2.695 1.00 0.00 H new ATOM 0 HG SER A 75 73.446 4.558 -4.806 1.00 0.00 H new ATOM 674 N GLY A 76 74.272 7.103 -1.687 1.00 0.00 N ATOM 675 CA GLY A 76 74.411 8.583 -1.848 1.00 0.00 C ATOM 676 C GLY A 76 75.869 9.004 -1.638 1.00 0.00 C ATOM 677 O GLY A 76 76.763 8.176 -1.613 1.00 0.00 O ATOM 0 H GLY A 76 75.133 6.616 -1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 76 74.079 8.881 -2.843 1.00 0.00 H new ATOM 0 HA3 GLY A 76 73.770 9.096 -1.131 1.00 0.00 H new ATOM 681 N CYS A 77 76.100 10.291 -1.485 1.00 0.00 N ATOM 682 CA CYS A 77 77.496 10.820 -1.369 1.00 0.00 C ATOM 683 C CYS A 77 77.868 11.020 0.103 1.00 0.00 C ATOM 684 O CYS A 77 77.107 11.591 0.865 1.00 0.00 O ATOM 685 CB CYS A 77 77.465 12.170 -2.099 1.00 0.00 C ATOM 686 SG CYS A 77 77.816 11.937 -3.861 1.00 0.00 S ATOM 0 H CYS A 77 75.371 11.002 -1.435 1.00 0.00 H new ATOM 0 HA CYS A 77 78.233 10.138 -1.793 1.00 0.00 H new ATOM 0 HB2 CYS A 77 76.488 12.637 -1.974 1.00 0.00 H new ATOM 0 HB3 CYS A 77 78.200 12.846 -1.661 1.00 0.00 H new ATOM 691 N MET A 78 79.033 10.555 0.499 1.00 0.00 N ATOM 692 CA MET A 78 79.497 10.736 1.909 1.00 0.00 C ATOM 693 C MET A 78 80.466 11.918 1.999 1.00 0.00 C ATOM 694 O MET A 78 81.476 11.947 1.316 1.00 0.00 O ATOM 695 CB MET A 78 80.212 9.429 2.262 1.00 0.00 C ATOM 696 CG MET A 78 80.410 9.348 3.778 1.00 0.00 C ATOM 697 SD MET A 78 81.194 7.772 4.202 1.00 0.00 S ATOM 698 CE MET A 78 79.709 6.740 4.097 1.00 0.00 C ATOM 0 H MET A 78 79.686 10.053 -0.103 1.00 0.00 H new ATOM 0 HA MET A 78 78.673 10.947 2.591 1.00 0.00 H new ATOM 0 HB2 MET A 78 79.627 8.577 1.915 1.00 0.00 H new ATOM 0 HB3 MET A 78 81.176 9.381 1.756 1.00 0.00 H new ATOM 0 HG2 MET A 78 81.029 10.178 4.119 1.00 0.00 H new ATOM 0 HG3 MET A 78 79.450 9.437 4.286 1.00 0.00 H new ATOM 0 HE1 MET A 78 79.925 5.851 3.504 1.00 0.00 H new ATOM 0 HE2 MET A 78 79.402 6.442 5.099 1.00 0.00 H new ATOM 0 HE3 MET A 78 78.906 7.305 3.624 1.00 0.00 H new ATOM 708 N LYS A 79 80.161 12.886 2.835 1.00 0.00 N ATOM 709 CA LYS A 79 81.044 14.096 2.968 1.00 0.00 C ATOM 710 C LYS A 79 82.414 13.706 3.542 1.00 0.00 C ATOM 711 O LYS A 79 82.617 12.579 3.960 1.00 0.00 O ATOM 712 CB LYS A 79 80.305 15.077 3.902 1.00 0.00 C ATOM 713 CG LYS A 79 80.066 14.455 5.288 1.00 0.00 C ATOM 714 CD LYS A 79 79.491 15.516 6.227 1.00 0.00 C ATOM 715 CE LYS A 79 79.513 14.990 7.665 1.00 0.00 C ATOM 716 NZ LYS A 79 78.399 14.003 7.729 1.00 0.00 N ATOM 0 H LYS A 79 79.335 12.891 3.434 1.00 0.00 H new ATOM 0 HA LYS A 79 81.233 14.556 1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 79 80.888 15.992 4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 79 79.350 15.357 3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 79 79.378 13.613 5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 79 81.001 14.065 5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 79 80.073 16.435 6.155 1.00 0.00 H new ATOM 0 HD3 LYS A 79 78.470 15.762 5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 79 80.469 14.522 7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 79 79.368 15.797 8.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 77.746 14.266 8.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 77.887 13.998 6.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 78.785 13.055 7.914 1.00 0.00 H new ATOM 994 N ARG A 97 72.097 -6.442 8.402 1.00 0.00 N ATOM 995 CA ARG A 97 72.224 -5.512 7.239 1.00 0.00 C ATOM 996 C ARG A 97 73.602 -5.667 6.580 1.00 0.00 C ATOM 997 O ARG A 97 74.505 -6.252 7.151 1.00 0.00 O ATOM 998 CB ARG A 97 72.026 -4.096 7.810 1.00 0.00 C ATOM 999 CG ARG A 97 73.095 -3.766 8.862 1.00 0.00 C ATOM 1000 CD ARG A 97 72.785 -2.410 9.506 1.00 0.00 C ATOM 1001 NE ARG A 97 74.121 -1.850 9.894 1.00 0.00 N ATOM 1002 CZ ARG A 97 74.791 -2.284 10.949 1.00 0.00 C ATOM 1003 NH1 ARG A 97 74.340 -3.242 11.731 1.00 0.00 N ATOM 1004 NH2 ARG A 97 75.945 -1.740 11.226 1.00 0.00 N ATOM 0 HA ARG A 97 71.487 -5.724 6.464 1.00 0.00 H new ATOM 0 HB2 ARG A 97 72.070 -3.366 7.002 1.00 0.00 H new ATOM 0 HB3 ARG A 97 71.035 -4.017 8.257 1.00 0.00 H new ATOM 0 HG2 ARG A 97 73.121 -4.544 9.625 1.00 0.00 H new ATOM 0 HG3 ARG A 97 74.081 -3.742 8.398 1.00 0.00 H new ATOM 0 HD2 ARG A 97 72.268 -1.751 8.809 1.00 0.00 H new ATOM 0 HD3 ARG A 97 72.138 -2.525 10.375 1.00 0.00 H new ATOM 0 HE ARG A 97 74.528 -1.108 9.324 1.00 0.00 H new ATOM 0 HH11 ARG A 97 73.441 -3.681 11.533 1.00 0.00 H new ATOM 0 HH12 ARG A 97 74.890 -3.546 12.534 1.00 0.00 H new ATOM 0 HH21 ARG A 97 76.313 -0.996 10.634 1.00 0.00 H new ATOM 0 HH22 ARG A 97 76.478 -2.059 12.035 1.00 0.00 H new ATOM 1018 N THR A 98 73.752 -5.142 5.386 1.00 0.00 N ATOM 1019 CA THR A 98 75.089 -5.116 4.716 1.00 0.00 C ATOM 1020 C THR A 98 75.397 -3.694 4.243 1.00 0.00 C ATOM 1021 O THR A 98 74.497 -2.946 3.908 1.00 0.00 O ATOM 1022 CB THR A 98 74.967 -6.066 3.524 1.00 0.00 C ATOM 1023 OG1 THR A 98 74.383 -7.289 3.951 1.00 0.00 O ATOM 1024 CG2 THR A 98 76.358 -6.338 2.945 1.00 0.00 C ATOM 0 H THR A 98 72.995 -4.726 4.843 1.00 0.00 H new ATOM 0 HA THR A 98 75.895 -5.419 5.384 1.00 0.00 H new ATOM 0 HB THR A 98 74.338 -5.611 2.759 1.00 0.00 H new ATOM 0 HG1 THR A 98 73.478 -7.365 3.584 1.00 0.00 H new ATOM 0 HG21 THR A 98 76.272 -7.015 2.095 1.00 0.00 H new ATOM 0 HG22 THR A 98 76.806 -5.400 2.618 1.00 0.00 H new ATOM 0 HG23 THR A 98 76.988 -6.793 3.709 1.00 0.00 H new ATOM 1032 N ILE A 99 76.657 -3.325 4.215 1.00 0.00 N ATOM 1033 CA ILE A 99 77.041 -1.945 3.784 1.00 0.00 C ATOM 1034 C ILE A 99 78.350 -1.991 2.982 1.00 0.00 C ATOM 1035 O ILE A 99 79.140 -2.909 3.128 1.00 0.00 O ATOM 1036 CB ILE A 99 77.182 -1.130 5.088 1.00 0.00 C ATOM 1037 CG1 ILE A 99 77.509 0.331 4.753 1.00 0.00 C ATOM 1038 CG2 ILE A 99 78.288 -1.708 5.985 1.00 0.00 C ATOM 1039 CD1 ILE A 99 77.310 1.203 5.995 1.00 0.00 C ATOM 0 H ILE A 99 77.439 -3.926 4.474 1.00 0.00 H new ATOM 0 HA ILE A 99 76.301 -1.488 3.127 1.00 0.00 H new ATOM 0 HB ILE A 99 76.236 -1.184 5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 99 78.537 0.412 4.401 1.00 0.00 H new ATOM 0 HG13 ILE A 99 76.867 0.681 3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 99 78.365 -1.114 6.896 1.00 0.00 H new ATOM 0 HG22 ILE A 99 78.046 -2.739 6.243 1.00 0.00 H new ATOM 0 HG23 ILE A 99 79.239 -1.681 5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 99 77.543 2.240 5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 99 76.274 1.132 6.327 1.00 0.00 H new ATOM 0 HD13 ILE A 99 77.971 0.859 6.791 1.00 0.00 H new ATOM 1051 N GLU A 100 78.568 -1.006 2.140 1.00 0.00 N ATOM 1052 CA GLU A 100 79.802 -0.980 1.295 1.00 0.00 C ATOM 1053 C GLU A 100 80.317 0.455 1.141 1.00 0.00 C ATOM 1054 O GLU A 100 79.549 1.401 1.155 1.00 0.00 O ATOM 1055 CB GLU A 100 79.373 -1.545 -0.060 1.00 0.00 C ATOM 1056 CG GLU A 100 79.026 -3.029 0.088 1.00 0.00 C ATOM 1057 CD GLU A 100 78.761 -3.631 -1.293 1.00 0.00 C ATOM 1058 OE1 GLU A 100 77.618 -3.604 -1.720 1.00 0.00 O ATOM 1059 OE2 GLU A 100 79.705 -4.110 -1.900 1.00 0.00 O ATOM 0 H GLU A 100 77.938 -0.215 2.003 1.00 0.00 H new ATOM 0 HA GLU A 100 80.612 -1.559 1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 100 78.511 -0.996 -0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 100 80.175 -1.420 -0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 100 79.845 -3.558 0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 100 78.147 -3.147 0.722 1.00 0.00 H new ATOM 1066 N CYS A 101 81.614 0.605 0.992 1.00 0.00 N ATOM 1067 CA CYS A 101 82.236 1.964 0.874 1.00 0.00 C ATOM 1068 C CYS A 101 83.398 1.919 -0.126 1.00 0.00 C ATOM 1069 O CYS A 101 84.182 0.986 -0.120 1.00 0.00 O ATOM 1070 CB CYS A 101 82.724 2.334 2.293 1.00 0.00 C ATOM 1071 SG CYS A 101 83.898 1.104 2.946 1.00 0.00 S ATOM 0 H CYS A 101 82.277 -0.169 0.947 1.00 0.00 H new ATOM 0 HA CYS A 101 81.531 2.709 0.505 1.00 0.00 H new ATOM 0 HB2 CYS A 101 83.200 3.314 2.270 1.00 0.00 H new ATOM 0 HB3 CYS A 101 81.868 2.411 2.963 1.00 0.00 H new ATOM 0 HG CYS A 101 84.516 0.527 1.959 1.00 0.00 H new ATOM 1076 N CYS A 102 83.512 2.918 -0.976 1.00 0.00 N ATOM 1077 CA CYS A 102 84.520 2.863 -2.089 1.00 0.00 C ATOM 1078 C CYS A 102 84.872 4.272 -2.581 1.00 0.00 C ATOM 1079 O CYS A 102 84.000 5.081 -2.838 1.00 0.00 O ATOM 1080 CB CYS A 102 83.894 2.014 -3.212 1.00 0.00 C ATOM 1081 SG CYS A 102 82.284 2.673 -3.741 1.00 0.00 S ATOM 0 H CYS A 102 82.950 3.769 -0.946 1.00 0.00 H new ATOM 0 HA CYS A 102 85.454 2.417 -1.748 1.00 0.00 H new ATOM 0 HB2 CYS A 102 84.572 1.983 -4.065 1.00 0.00 H new ATOM 0 HB3 CYS A 102 83.771 0.988 -2.866 1.00 0.00 H new ATOM 1086 N ARG A 103 86.152 4.556 -2.709 1.00 0.00 N ATOM 1087 CA ARG A 103 86.607 5.928 -3.098 1.00 0.00 C ATOM 1088 C ARG A 103 87.091 5.942 -4.556 1.00 0.00 C ATOM 1089 O ARG A 103 88.122 6.511 -4.876 1.00 0.00 O ATOM 1090 CB ARG A 103 87.759 6.240 -2.136 1.00 0.00 C ATOM 1091 CG ARG A 103 87.866 7.753 -1.937 1.00 0.00 C ATOM 1092 CD ARG A 103 89.140 8.075 -1.148 1.00 0.00 C ATOM 1093 NE ARG A 103 90.281 7.785 -2.084 1.00 0.00 N ATOM 1094 CZ ARG A 103 91.502 7.523 -1.648 1.00 0.00 C ATOM 1095 NH1 ARG A 103 91.815 7.516 -0.372 1.00 0.00 N ATOM 1096 NH2 ARG A 103 92.438 7.269 -2.523 1.00 0.00 N ATOM 0 H ARG A 103 86.906 3.885 -2.558 1.00 0.00 H new ATOM 0 HA ARG A 103 85.807 6.666 -3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 103 87.590 5.748 -1.178 1.00 0.00 H new ATOM 0 HB3 ARG A 103 88.695 5.848 -2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 103 87.886 8.257 -2.903 1.00 0.00 H new ATOM 0 HG3 ARG A 103 86.991 8.123 -1.403 1.00 0.00 H new ATOM 0 HD2 ARG A 103 89.150 9.117 -0.829 1.00 0.00 H new ATOM 0 HD3 ARG A 103 89.208 7.465 -0.247 1.00 0.00 H new ATOM 0 HE ARG A 103 90.107 7.791 -3.089 1.00 0.00 H new ATOM 0 HH11 ARG A 103 91.102 7.718 0.329 1.00 0.00 H new ATOM 0 HH12 ARG A 103 92.771 7.308 -0.082 1.00 0.00 H new ATOM 0 HH21 ARG A 103 92.220 7.275 -3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 103 93.387 7.064 -2.210 1.00 0.00 H new ATOM 1110 N THR A 104 86.341 5.319 -5.434 1.00 0.00 N ATOM 1111 CA THR A 104 86.696 5.312 -6.886 1.00 0.00 C ATOM 1112 C THR A 104 85.450 5.592 -7.729 1.00 0.00 C ATOM 1113 O THR A 104 84.344 5.269 -7.338 1.00 0.00 O ATOM 1114 CB THR A 104 87.246 3.909 -7.158 1.00 0.00 C ATOM 1115 OG1 THR A 104 86.348 2.937 -6.646 1.00 0.00 O ATOM 1116 CG2 THR A 104 88.608 3.754 -6.479 1.00 0.00 C ATOM 0 H THR A 104 85.488 4.810 -5.202 1.00 0.00 H new ATOM 0 HA THR A 104 87.426 6.080 -7.142 1.00 0.00 H new ATOM 0 HB THR A 104 87.357 3.767 -8.233 1.00 0.00 H new ATOM 0 HG1 THR A 104 86.701 2.040 -6.823 1.00 0.00 H new ATOM 0 HG21 THR A 104 89.000 2.755 -6.673 1.00 0.00 H new ATOM 0 HG22 THR A 104 89.299 4.498 -6.876 1.00 0.00 H new ATOM 0 HG23 THR A 104 88.497 3.898 -5.404 1.00 0.00 H new ATOM 1124 N ASN A 105 85.629 6.185 -8.884 1.00 0.00 N ATOM 1125 CA ASN A 105 84.476 6.832 -9.600 1.00 0.00 C ATOM 1126 C ASN A 105 83.402 5.807 -9.984 1.00 0.00 C ATOM 1127 O ASN A 105 83.691 4.761 -10.536 1.00 0.00 O ATOM 1128 CB ASN A 105 85.062 7.517 -10.849 1.00 0.00 C ATOM 1129 CG ASN A 105 85.776 6.499 -11.750 1.00 0.00 C ATOM 1130 OD1 ASN A 105 86.652 5.784 -11.304 1.00 0.00 O ATOM 1131 ND2 ASN A 105 85.434 6.404 -13.005 1.00 0.00 N ATOM 0 H ASN A 105 86.525 6.251 -9.366 1.00 0.00 H new ATOM 0 HA ASN A 105 83.981 7.556 -8.952 1.00 0.00 H new ATOM 0 HB2 ASN A 105 84.264 8.006 -11.408 1.00 0.00 H new ATOM 0 HB3 ASN A 105 85.763 8.295 -10.547 1.00 0.00 H new ATOM 0 HD21 ASN A 105 85.902 5.730 -13.611 1.00 0.00 H new ATOM 0 HD22 ASN A 105 84.699 7.004 -13.380 1.00 0.00 H new ATOM 1138 N LEU A 106 82.154 6.118 -9.687 1.00 0.00 N ATOM 1139 CA LEU A 106 80.995 5.211 -10.007 1.00 0.00 C ATOM 1140 C LEU A 106 81.223 3.783 -9.487 1.00 0.00 C ATOM 1141 O LEU A 106 80.708 2.830 -10.047 1.00 0.00 O ATOM 1142 CB LEU A 106 80.864 5.209 -11.539 1.00 0.00 C ATOM 1143 CG LEU A 106 80.568 6.626 -12.050 1.00 0.00 C ATOM 1144 CD1 LEU A 106 80.658 6.644 -13.578 1.00 0.00 C ATOM 1145 CD2 LEU A 106 79.159 7.048 -11.621 1.00 0.00 C ATOM 0 H LEU A 106 81.885 6.986 -9.224 1.00 0.00 H new ATOM 0 HA LEU A 106 80.087 5.569 -9.521 1.00 0.00 H new ATOM 0 HB2 LEU A 106 81.785 4.838 -11.989 1.00 0.00 H new ATOM 0 HB3 LEU A 106 80.065 4.532 -11.842 1.00 0.00 H new ATOM 0 HG LEU A 106 81.296 7.319 -11.630 1.00 0.00 H new ATOM 0 HD11 LEU A 106 80.448 7.649 -13.943 1.00 0.00 H new ATOM 0 HD12 LEU A 106 81.660 6.348 -13.887 1.00 0.00 H new ATOM 0 HD13 LEU A 106 79.930 5.948 -13.994 1.00 0.00 H new ATOM 0 HD21 LEU A 106 78.954 8.054 -11.986 1.00 0.00 H new ATOM 0 HD22 LEU A 106 78.429 6.355 -12.038 1.00 0.00 H new ATOM 0 HD23 LEU A 106 79.091 7.036 -10.533 1.00 0.00 H new ATOM 1157 N CYS A 107 81.991 3.634 -8.427 1.00 0.00 N ATOM 1158 CA CYS A 107 82.149 2.284 -7.778 1.00 0.00 C ATOM 1159 C CYS A 107 80.810 1.760 -7.232 1.00 0.00 C ATOM 1160 O CYS A 107 80.634 0.564 -7.074 1.00 0.00 O ATOM 1161 CB CYS A 107 83.181 2.450 -6.643 1.00 0.00 C ATOM 1162 SG CYS A 107 82.662 3.704 -5.433 1.00 0.00 S ATOM 0 H CYS A 107 82.515 4.388 -7.983 1.00 0.00 H new ATOM 0 HA CYS A 107 82.489 1.550 -8.508 1.00 0.00 H new ATOM 0 HB2 CYS A 107 83.322 1.494 -6.138 1.00 0.00 H new ATOM 0 HB3 CYS A 107 84.145 2.732 -7.067 1.00 0.00 H new ATOM 1167 N ASN A 108 79.876 2.643 -6.945 1.00 0.00 N ATOM 1168 CA ASN A 108 78.525 2.199 -6.456 1.00 0.00 C ATOM 1169 C ASN A 108 77.682 1.634 -7.605 1.00 0.00 C ATOM 1170 O ASN A 108 76.854 0.764 -7.393 1.00 0.00 O ATOM 1171 CB ASN A 108 77.857 3.455 -5.881 1.00 0.00 C ATOM 1172 CG ASN A 108 78.259 3.633 -4.415 1.00 0.00 C ATOM 1173 OD1 ASN A 108 79.366 3.316 -4.029 1.00 0.00 O ATOM 1174 ND2 ASN A 108 77.397 4.140 -3.575 1.00 0.00 N ATOM 0 H ASN A 108 79.991 3.653 -7.029 1.00 0.00 H new ATOM 0 HA ASN A 108 78.617 1.407 -5.712 1.00 0.00 H new ATOM 0 HB2 ASN A 108 78.153 4.331 -6.457 1.00 0.00 H new ATOM 0 HB3 ASN A 108 76.773 3.371 -5.963 1.00 0.00 H new ATOM 0 HD21 ASN A 108 77.654 4.269 -2.596 1.00 0.00 H new ATOM 0 HD22 ASN A 108 76.467 4.407 -3.898 1.00 0.00 H new ATOM 1181 N GLN A 109 77.887 2.114 -8.815 1.00 0.00 N ATOM 1182 CA GLN A 109 76.937 1.799 -9.940 1.00 0.00 C ATOM 1183 C GLN A 109 76.908 0.291 -10.223 1.00 0.00 C ATOM 1184 O GLN A 109 75.861 -0.273 -10.486 1.00 0.00 O ATOM 1185 CB GLN A 109 77.469 2.554 -11.163 1.00 0.00 C ATOM 1186 CG GLN A 109 76.425 2.521 -12.281 1.00 0.00 C ATOM 1187 CD GLN A 109 77.009 3.154 -13.545 1.00 0.00 C ATOM 1188 OE1 GLN A 109 78.016 2.704 -14.054 1.00 0.00 O ATOM 1189 NE2 GLN A 109 76.416 4.188 -14.076 1.00 0.00 N ATOM 0 H GLN A 109 78.673 2.711 -9.072 1.00 0.00 H new ATOM 0 HA GLN A 109 75.919 2.097 -9.690 1.00 0.00 H new ATOM 0 HB2 GLN A 109 77.697 3.586 -10.895 1.00 0.00 H new ATOM 0 HB3 GLN A 109 78.399 2.101 -11.507 1.00 0.00 H new ATOM 0 HG2 GLN A 109 76.125 1.493 -12.482 1.00 0.00 H new ATOM 0 HG3 GLN A 109 75.529 3.060 -11.972 1.00 0.00 H new ATOM 0 HE21 GLN A 109 75.570 4.566 -13.649 1.00 0.00 H new ATOM 0 HE22 GLN A 109 76.798 4.618 -14.918 1.00 0.00 H new ATOM 1198 N TYR A 110 78.055 -0.351 -10.168 1.00 0.00 N ATOM 1199 CA TYR A 110 78.124 -1.826 -10.421 1.00 0.00 C ATOM 1200 C TYR A 110 78.197 -2.625 -9.109 1.00 0.00 C ATOM 1201 O TYR A 110 78.551 -3.791 -9.124 1.00 0.00 O ATOM 1202 CB TYR A 110 79.406 -2.021 -11.230 1.00 0.00 C ATOM 1203 CG TYR A 110 79.384 -1.331 -12.574 1.00 0.00 C ATOM 1204 CD1 TYR A 110 78.457 -1.753 -13.578 1.00 0.00 C ATOM 1205 CD2 TYR A 110 80.288 -0.258 -12.843 1.00 0.00 C ATOM 1206 CE1 TYR A 110 78.435 -1.100 -14.849 1.00 0.00 C ATOM 1207 CE2 TYR A 110 80.266 0.394 -14.114 1.00 0.00 C ATOM 1208 CZ TYR A 110 79.339 -0.026 -15.117 1.00 0.00 C ATOM 1209 OH TYR A 110 79.319 0.604 -16.346 1.00 0.00 O ATOM 0 H TYR A 110 78.951 0.089 -9.957 1.00 0.00 H new ATOM 0 HA TYR A 110 77.236 -2.183 -10.942 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.251 -1.646 -10.652 1.00 0.00 H new ATOM 0 HB3 TYR A 110 79.572 -3.088 -11.381 1.00 0.00 H new ATOM 0 HD1 TYR A 110 77.774 -2.565 -13.376 1.00 0.00 H new ATOM 0 HD2 TYR A 110 80.988 0.060 -12.085 1.00 0.00 H new ATOM 0 HE1 TYR A 110 77.735 -1.418 -15.607 1.00 0.00 H new ATOM 0 HE2 TYR A 110 80.950 1.205 -14.317 1.00 0.00 H new ATOM 0 HH TYR A 110 79.996 1.312 -16.362 1.00 0.00 H new ATOM 1219 N LEU A 111 77.871 -2.016 -7.985 1.00 0.00 N ATOM 1220 CA LEU A 111 78.022 -2.706 -6.665 1.00 0.00 C ATOM 1221 C LEU A 111 76.655 -2.888 -6.000 1.00 0.00 C ATOM 1222 O LEU A 111 76.052 -1.931 -5.546 1.00 0.00 O ATOM 1223 CB LEU A 111 78.904 -1.771 -5.835 1.00 0.00 C ATOM 1224 CG LEU A 111 79.317 -2.470 -4.538 1.00 0.00 C ATOM 1225 CD1 LEU A 111 80.501 -3.400 -4.812 1.00 0.00 C ATOM 1226 CD2 LEU A 111 79.726 -1.419 -3.503 1.00 0.00 C ATOM 0 H LEU A 111 77.505 -1.065 -7.931 1.00 0.00 H new ATOM 0 HA LEU A 111 78.457 -3.700 -6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 111 79.789 -1.489 -6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 111 78.364 -0.852 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 111 78.478 -3.053 -4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 111 80.794 -3.897 -3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 111 80.213 -4.148 -5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 111 81.340 -2.818 -5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 111 80.021 -1.915 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 111 80.565 -0.838 -3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 111 78.884 -0.755 -3.307 1.00 0.00 H new ATOM 1238 N GLN A 112 76.172 -4.108 -5.942 1.00 0.00 N ATOM 1239 CA GLN A 112 74.913 -4.404 -5.188 1.00 0.00 C ATOM 1240 C GLN A 112 75.250 -4.985 -3.800 1.00 0.00 C ATOM 1241 O GLN A 112 75.900 -6.013 -3.733 1.00 0.00 O ATOM 1242 CB GLN A 112 74.188 -5.451 -6.035 1.00 0.00 C ATOM 1243 CG GLN A 112 72.736 -5.570 -5.568 1.00 0.00 C ATOM 1244 CD GLN A 112 71.890 -6.193 -6.681 1.00 0.00 C ATOM 1245 OE1 GLN A 112 72.299 -7.151 -7.305 1.00 0.00 O ATOM 1246 NE2 GLN A 112 70.721 -5.685 -6.956 1.00 0.00 N ATOM 0 H GLN A 112 76.601 -4.918 -6.390 1.00 0.00 H new ATOM 0 HA GLN A 112 74.308 -3.512 -5.026 1.00 0.00 H new ATOM 0 HB2 GLN A 112 74.221 -5.169 -7.087 1.00 0.00 H new ATOM 0 HB3 GLN A 112 74.689 -6.415 -5.948 1.00 0.00 H new ATOM 0 HG2 GLN A 112 72.681 -6.184 -4.669 1.00 0.00 H new ATOM 0 HG3 GLN A 112 72.345 -4.586 -5.307 1.00 0.00 H new ATOM 0 HE21 GLN A 112 70.378 -4.880 -6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 112 70.149 -6.092 -7.696 1.00 0.00 H new ATOM 1255 N PRO A 113 74.813 -4.330 -2.729 1.00 0.00 N ATOM 1256 CA PRO A 113 74.958 -4.925 -1.371 1.00 0.00 C ATOM 1257 C PRO A 113 74.038 -6.144 -1.227 1.00 0.00 C ATOM 1258 O PRO A 113 72.897 -6.114 -1.651 1.00 0.00 O ATOM 1259 CB PRO A 113 74.547 -3.800 -0.408 1.00 0.00 C ATOM 1260 CG PRO A 113 74.429 -2.565 -1.245 1.00 0.00 C ATOM 1261 CD PRO A 113 74.170 -3.006 -2.656 1.00 0.00 C ATOM 0 HA PRO A 113 75.970 -5.278 -1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 113 73.601 -4.031 0.082 1.00 0.00 H new ATOM 0 HB3 PRO A 113 75.290 -3.669 0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 113 73.618 -1.933 -0.885 1.00 0.00 H new ATOM 0 HG3 PRO A 113 75.343 -1.974 -1.189 1.00 0.00 H new ATOM 0 HD2 PRO A 113 73.102 -3.067 -2.868 1.00 0.00 H new ATOM 0 HD3 PRO A 113 74.599 -2.312 -3.378 1.00 0.00 H new ATOM 1269 N THR A 114 74.536 -7.206 -0.631 1.00 0.00 N ATOM 1270 CA THR A 114 73.703 -8.432 -0.426 1.00 0.00 C ATOM 1271 C THR A 114 73.968 -9.023 0.962 1.00 0.00 C ATOM 1272 O THR A 114 75.072 -8.946 1.471 1.00 0.00 O ATOM 1273 CB THR A 114 74.149 -9.405 -1.520 1.00 0.00 C ATOM 1274 OG1 THR A 114 75.562 -9.543 -1.482 1.00 0.00 O ATOM 1275 CG2 THR A 114 73.721 -8.869 -2.887 1.00 0.00 C ATOM 0 H THR A 114 75.490 -7.273 -0.277 1.00 0.00 H new ATOM 0 HA THR A 114 72.635 -8.221 -0.483 1.00 0.00 H new ATOM 0 HB THR A 114 73.686 -10.377 -1.353 1.00 0.00 H new ATOM 0 HG1 THR A 114 75.849 -10.167 -2.181 1.00 0.00 H new ATOM 0 HG21 THR A 114 74.039 -9.562 -3.666 1.00 0.00 H new ATOM 0 HG22 THR A 114 72.636 -8.766 -2.914 1.00 0.00 H new ATOM 0 HG23 THR A 114 74.182 -7.896 -3.057 1.00 0.00 H new ATOM 1283 N LEU A 115 72.959 -9.610 1.567 1.00 0.00 N ATOM 1284 CA LEU A 115 73.135 -10.232 2.924 1.00 0.00 C ATOM 1285 C LEU A 115 73.982 -11.511 2.809 1.00 0.00 C ATOM 1286 O LEU A 115 73.934 -12.169 1.786 1.00 0.00 O ATOM 1287 CB LEU A 115 71.725 -10.570 3.419 1.00 0.00 C ATOM 1288 CG LEU A 115 71.068 -9.311 3.988 1.00 0.00 C ATOM 1289 CD1 LEU A 115 69.554 -9.512 4.058 1.00 0.00 C ATOM 1290 CD2 LEU A 115 71.611 -9.044 5.393 1.00 0.00 C ATOM 0 H LEU A 115 72.019 -9.686 1.179 1.00 0.00 H new ATOM 0 HA LEU A 115 73.647 -9.560 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 115 71.126 -10.967 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 115 71.773 -11.345 4.184 1.00 0.00 H new ATOM 0 HG LEU A 115 71.292 -8.462 3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 115 69.086 -8.615 4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 115 69.166 -9.703 3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 115 69.329 -10.361 4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 115 71.144 -8.147 5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 115 71.387 -9.894 6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 115 72.690 -8.900 5.345 1.00 0.00 H new