USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=13 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= -3.14 K(o=-1.8,f=-4.3) USER MOD Set 1.2: A 52 THR OG1 : rot -86:sc= 1.37 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= -0.188 K(o=-0.19,f=-0.91) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 55 THR OG1 : rot 162:sc= 0.442 USER MOD Single : A 56 ASN : amide:sc= -0.913 K(o=-0.91,f=-2.5!) USER MOD Single : A 58 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-3.8!) USER MOD Single : A 68 GLN : amide:sc= -0.489 K(o=-0.49,f=-4.5!) USER MOD Single : A 71 THR OG1 : rot 39:sc= 0.222 USER MOD Single : A 72 THR OG1 : rot 43:sc= 0.406 USER MOD Single : A 75 SER OG : rot 180:sc= -0.368 USER MOD Single : A 78 MET CE :methyl 150:sc= 0 (180deg=-1.2) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -99:sc= -0.629 USER MOD Single : A 101 CYS SG : rot 25:sc= 0.0309 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.89 USER MOD Single : A 105 ASN : amide:sc= -0.135 K(o=-0.14,f=-5.2!) USER MOD Single : A 108 ASN : amide:sc= -2.06 K(o=-2.1,f=-3.1) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0.31) 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) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 84 N PRO A 34 86.423 18.498 -4.615 1.00 0.00 N ATOM 85 CA PRO A 34 85.486 17.551 -5.298 1.00 0.00 C ATOM 86 C PRO A 34 86.151 16.907 -6.524 1.00 0.00 C ATOM 87 O PRO A 34 86.566 17.595 -7.440 1.00 0.00 O ATOM 88 CB PRO A 34 84.328 18.459 -5.730 1.00 0.00 C ATOM 89 CG PRO A 34 84.425 19.624 -4.808 1.00 0.00 C ATOM 90 CD PRO A 34 85.894 19.877 -4.669 1.00 0.00 C ATOM 0 HA PRO A 34 85.175 16.725 -4.659 1.00 0.00 H new ATOM 0 HB2 PRO A 34 84.427 18.764 -6.772 1.00 0.00 H new ATOM 0 HB3 PRO A 34 83.367 17.953 -5.636 1.00 0.00 H new ATOM 0 HG2 PRO A 34 83.910 20.494 -5.214 1.00 0.00 H new ATOM 0 HG3 PRO A 34 83.968 19.405 -3.843 1.00 0.00 H new ATOM 0 HD2 PRO A 34 86.296 20.438 -5.513 1.00 0.00 H new ATOM 0 HD3 PRO A 34 86.130 20.443 -3.768 1.00 0.00 H new ATOM 98 N PHE A 35 86.252 15.596 -6.539 1.00 0.00 N ATOM 99 CA PHE A 35 86.586 14.865 -7.805 1.00 0.00 C ATOM 100 C PHE A 35 86.123 13.402 -7.710 1.00 0.00 C ATOM 101 O PHE A 35 86.889 12.478 -7.930 1.00 0.00 O ATOM 102 CB PHE A 35 88.113 14.969 -7.967 1.00 0.00 C ATOM 103 CG PHE A 35 88.909 14.477 -6.778 1.00 0.00 C ATOM 104 CD1 PHE A 35 89.216 15.375 -5.712 1.00 0.00 C ATOM 105 CD2 PHE A 35 89.356 13.119 -6.719 1.00 0.00 C ATOM 106 CE1 PHE A 35 89.970 14.919 -4.585 1.00 0.00 C ATOM 107 CE2 PHE A 35 90.109 12.662 -5.594 1.00 0.00 C ATOM 108 CZ PHE A 35 90.415 13.563 -4.527 1.00 0.00 C ATOM 0 H PHE A 35 86.116 14.999 -5.723 1.00 0.00 H new ATOM 0 HA PHE A 35 86.080 15.293 -8.670 1.00 0.00 H new ATOM 0 HB2 PHE A 35 88.411 14.400 -8.847 1.00 0.00 H new ATOM 0 HB3 PHE A 35 88.375 16.010 -8.157 1.00 0.00 H new ATOM 0 HD1 PHE A 35 88.879 16.400 -5.756 1.00 0.00 H new ATOM 0 HD2 PHE A 35 89.124 12.439 -7.525 1.00 0.00 H new ATOM 0 HE1 PHE A 35 90.202 15.599 -3.779 1.00 0.00 H new ATOM 0 HE2 PHE A 35 90.447 11.637 -5.550 1.00 0.00 H new ATOM 0 HZ PHE A 35 90.983 13.218 -3.676 1.00 0.00 H new ATOM 118 N LEU A 36 84.866 13.195 -7.388 1.00 0.00 N ATOM 119 CA LEU A 36 84.318 11.810 -7.248 1.00 0.00 C ATOM 120 C LEU A 36 82.797 11.829 -7.413 1.00 0.00 C ATOM 121 O LEU A 36 82.091 12.402 -6.601 1.00 0.00 O ATOM 122 CB LEU A 36 84.702 11.379 -5.830 1.00 0.00 C ATOM 123 CG LEU A 36 84.387 9.895 -5.638 1.00 0.00 C ATOM 124 CD1 LEU A 36 85.394 9.051 -6.422 1.00 0.00 C ATOM 125 CD2 LEU A 36 84.477 9.546 -4.151 1.00 0.00 C ATOM 0 H LEU A 36 84.190 13.939 -7.214 1.00 0.00 H new ATOM 0 HA LEU A 36 84.710 11.127 -8.002 1.00 0.00 H new ATOM 0 HB2 LEU A 36 85.763 11.560 -5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.155 11.974 -5.098 1.00 0.00 H new ATOM 0 HG LEU A 36 83.381 9.687 -6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 36 85.168 7.994 -6.284 1.00 0.00 H new ATOM 0 HD12 LEU A 36 85.331 9.300 -7.481 1.00 0.00 H new ATOM 0 HD13 LEU A 36 86.401 9.257 -6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 36 84.253 8.488 -4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 36 85.484 9.755 -3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 36 83.759 10.146 -3.592 1.00 0.00 H new ATOM 137 N LYS A 37 82.298 11.209 -8.459 1.00 0.00 N ATOM 138 CA LYS A 37 80.821 11.160 -8.692 1.00 0.00 C ATOM 139 C LYS A 37 80.257 9.814 -8.228 1.00 0.00 C ATOM 140 O LYS A 37 80.778 8.769 -8.578 1.00 0.00 O ATOM 141 CB LYS A 37 80.658 11.312 -10.206 1.00 0.00 C ATOM 142 CG LYS A 37 79.182 11.523 -10.544 1.00 0.00 C ATOM 143 CD LYS A 37 79.032 11.779 -12.045 1.00 0.00 C ATOM 144 CE LYS A 37 79.191 10.462 -12.809 1.00 0.00 C ATOM 145 NZ LYS A 37 79.670 10.857 -14.162 1.00 0.00 N ATOM 0 H LYS A 37 82.858 10.732 -9.166 1.00 0.00 H new ATOM 0 HA LYS A 37 80.289 11.936 -8.141 1.00 0.00 H new ATOM 0 HB2 LYS A 37 81.248 12.157 -10.562 1.00 0.00 H new ATOM 0 HB3 LYS A 37 81.034 10.424 -10.714 1.00 0.00 H new ATOM 0 HG2 LYS A 37 78.603 10.646 -10.255 1.00 0.00 H new ATOM 0 HG3 LYS A 37 78.786 12.367 -9.979 1.00 0.00 H new ATOM 0 HD2 LYS A 37 78.056 12.217 -12.254 1.00 0.00 H new ATOM 0 HD3 LYS A 37 79.781 12.497 -12.378 1.00 0.00 H new ATOM 0 HE2 LYS A 37 79.904 9.803 -12.315 1.00 0.00 H new ATOM 0 HE3 LYS A 37 78.246 9.923 -12.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 79.803 10.006 -14.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 78.968 11.479 -14.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 80.575 11.362 -14.076 1.00 0.00 H new ATOM 159 N CYS A 38 79.201 9.840 -7.446 1.00 0.00 N ATOM 160 CA CYS A 38 78.610 8.572 -6.905 1.00 0.00 C ATOM 161 C CYS A 38 77.200 8.373 -7.466 1.00 0.00 C ATOM 162 O CYS A 38 76.446 9.322 -7.593 1.00 0.00 O ATOM 163 CB CYS A 38 78.538 8.753 -5.381 1.00 0.00 C ATOM 164 SG CYS A 38 80.189 9.011 -4.672 1.00 0.00 S ATOM 0 H CYS A 38 78.720 10.692 -7.158 1.00 0.00 H new ATOM 0 HA CYS A 38 79.208 7.704 -7.181 1.00 0.00 H new ATOM 0 HB2 CYS A 38 77.900 9.604 -5.143 1.00 0.00 H new ATOM 0 HB3 CYS A 38 78.079 7.874 -4.929 1.00 0.00 H new ATOM 169 N TYR A 39 76.850 7.152 -7.800 1.00 0.00 N ATOM 170 CA TYR A 39 75.464 6.858 -8.298 1.00 0.00 C ATOM 171 C TYR A 39 74.516 6.650 -7.112 1.00 0.00 C ATOM 172 O TYR A 39 74.898 6.077 -6.107 1.00 0.00 O ATOM 173 CB TYR A 39 75.591 5.572 -9.120 1.00 0.00 C ATOM 174 CG TYR A 39 74.319 5.172 -9.827 1.00 0.00 C ATOM 175 CD1 TYR A 39 74.051 5.656 -11.146 1.00 0.00 C ATOM 176 CD2 TYR A 39 73.380 4.315 -9.177 1.00 0.00 C ATOM 177 CE1 TYR A 39 72.845 5.280 -11.813 1.00 0.00 C ATOM 178 CE2 TYR A 39 72.173 3.938 -9.844 1.00 0.00 C ATOM 179 CZ TYR A 39 71.905 4.421 -11.162 1.00 0.00 C ATOM 180 OH TYR A 39 70.740 4.058 -11.806 1.00 0.00 O ATOM 0 H TYR A 39 77.467 6.342 -7.749 1.00 0.00 H new ATOM 0 HA TYR A 39 75.058 7.675 -8.894 1.00 0.00 H new ATOM 0 HB2 TYR A 39 76.381 5.701 -9.860 1.00 0.00 H new ATOM 0 HB3 TYR A 39 75.900 4.760 -8.462 1.00 0.00 H new ATOM 0 HD1 TYR A 39 74.760 6.306 -11.638 1.00 0.00 H new ATOM 0 HD2 TYR A 39 73.582 3.951 -8.180 1.00 0.00 H new ATOM 0 HE1 TYR A 39 72.643 5.645 -12.809 1.00 0.00 H new ATOM 0 HE2 TYR A 39 71.464 3.289 -9.352 1.00 0.00 H new ATOM 0 HH TYR A 39 70.214 3.471 -11.224 1.00 0.00 H new ATOM 190 N CYS A 40 73.289 7.109 -7.232 1.00 0.00 N ATOM 191 CA CYS A 40 72.317 7.014 -6.091 1.00 0.00 C ATOM 192 C CYS A 40 71.145 6.092 -6.454 1.00 0.00 C ATOM 193 O CYS A 40 70.622 6.150 -7.552 1.00 0.00 O ATOM 194 CB CYS A 40 71.842 8.456 -5.813 1.00 0.00 C ATOM 195 SG CYS A 40 71.010 9.187 -7.256 1.00 0.00 S ATOM 0 H CYS A 40 72.918 7.547 -8.075 1.00 0.00 H new ATOM 0 HA CYS A 40 72.779 6.582 -5.203 1.00 0.00 H new ATOM 0 HB2 CYS A 40 71.160 8.456 -4.963 1.00 0.00 H new ATOM 0 HB3 CYS A 40 72.697 9.073 -5.536 1.00 0.00 H new ATOM 200 N SER A 41 70.740 5.246 -5.531 1.00 0.00 N ATOM 201 CA SER A 41 69.554 4.365 -5.760 1.00 0.00 C ATOM 202 C SER A 41 68.510 4.596 -4.666 1.00 0.00 C ATOM 203 O SER A 41 68.849 4.738 -3.504 1.00 0.00 O ATOM 204 CB SER A 41 70.101 2.939 -5.687 1.00 0.00 C ATOM 205 OG SER A 41 71.096 2.765 -6.686 1.00 0.00 O ATOM 0 H SER A 41 71.188 5.130 -4.622 1.00 0.00 H new ATOM 0 HA SER A 41 69.066 4.565 -6.714 1.00 0.00 H new ATOM 0 HB2 SER A 41 70.523 2.750 -4.700 1.00 0.00 H new ATOM 0 HB3 SER A 41 69.295 2.220 -5.832 1.00 0.00 H new ATOM 0 HG SER A 41 71.449 1.852 -6.640 1.00 0.00 H new ATOM 211 N GLY A 42 67.249 4.633 -5.034 1.00 0.00 N ATOM 212 CA GLY A 42 66.161 4.846 -4.033 1.00 0.00 C ATOM 213 C GLY A 42 66.126 6.319 -3.613 1.00 0.00 C ATOM 214 O GLY A 42 65.182 7.029 -3.911 1.00 0.00 O ATOM 0 H GLY A 42 66.928 4.523 -5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 42 65.200 4.556 -4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 42 66.327 4.213 -3.161 1.00 0.00 H new ATOM 218 N HIS A 43 67.154 6.773 -2.928 1.00 0.00 N ATOM 219 CA HIS A 43 67.174 8.178 -2.412 1.00 0.00 C ATOM 220 C HIS A 43 68.275 8.989 -3.106 1.00 0.00 C ATOM 221 O HIS A 43 69.433 8.611 -3.088 1.00 0.00 O ATOM 222 CB HIS A 43 67.470 8.045 -0.918 1.00 0.00 C ATOM 223 CG HIS A 43 67.422 9.353 -0.177 1.00 0.00 C ATOM 224 ND1 HIS A 43 68.409 10.317 -0.313 1.00 0.00 N ATOM 225 CD2 HIS A 43 66.512 9.871 0.713 1.00 0.00 C ATOM 226 CE1 HIS A 43 68.073 11.355 0.474 1.00 0.00 C ATOM 227 NE2 HIS A 43 66.925 11.135 1.123 1.00 0.00 N ATOM 0 H HIS A 43 67.984 6.224 -2.705 1.00 0.00 H new ATOM 0 HA HIS A 43 66.234 8.698 -2.600 1.00 0.00 H new ATOM 0 HB2 HIS A 43 66.750 7.358 -0.473 1.00 0.00 H new ATOM 0 HB3 HIS A 43 68.457 7.600 -0.790 1.00 0.00 H new ATOM 0 HD2 HIS A 43 65.613 9.373 1.044 1.00 0.00 H new ATOM 0 HE1 HIS A 43 68.660 12.257 0.570 1.00 0.00 H new ATOM 0 HE2 HIS A 43 66.454 11.759 1.778 1.00 0.00 H new ATOM 235 N CYS A 44 67.908 10.095 -3.713 1.00 0.00 N ATOM 236 CA CYS A 44 68.918 11.011 -4.331 1.00 0.00 C ATOM 237 C CYS A 44 68.541 12.472 -4.014 1.00 0.00 C ATOM 238 O CYS A 44 67.376 12.814 -4.108 1.00 0.00 O ATOM 239 CB CYS A 44 68.825 10.736 -5.838 1.00 0.00 C ATOM 240 SG CYS A 44 70.431 11.019 -6.629 1.00 0.00 S ATOM 0 H CYS A 44 66.940 10.404 -3.807 1.00 0.00 H new ATOM 0 HA CYS A 44 69.929 10.850 -3.956 1.00 0.00 H new ATOM 0 HB2 CYS A 44 68.504 9.708 -6.008 1.00 0.00 H new ATOM 0 HB3 CYS A 44 68.072 11.383 -6.287 1.00 0.00 H new ATOM 245 N PRO A 45 69.515 13.303 -3.651 1.00 0.00 N ATOM 246 CA PRO A 45 69.195 14.683 -3.165 1.00 0.00 C ATOM 247 C PRO A 45 68.457 15.493 -4.244 1.00 0.00 C ATOM 248 O PRO A 45 68.631 15.265 -5.427 1.00 0.00 O ATOM 249 CB PRO A 45 70.564 15.301 -2.852 1.00 0.00 C ATOM 250 CG PRO A 45 71.563 14.442 -3.555 1.00 0.00 C ATOM 251 CD PRO A 45 70.971 13.066 -3.649 1.00 0.00 C ATOM 0 HA PRO A 45 68.535 14.674 -2.298 1.00 0.00 H new ATOM 0 HB2 PRO A 45 70.618 16.332 -3.202 1.00 0.00 H new ATOM 0 HB3 PRO A 45 70.750 15.319 -1.778 1.00 0.00 H new ATOM 0 HG2 PRO A 45 71.780 14.837 -4.547 1.00 0.00 H new ATOM 0 HG3 PRO A 45 72.505 14.420 -3.008 1.00 0.00 H new ATOM 0 HD2 PRO A 45 71.293 12.554 -4.556 1.00 0.00 H new ATOM 0 HD3 PRO A 45 71.273 12.443 -2.807 1.00 0.00 H new ATOM 259 N ASP A 46 67.641 16.439 -3.830 1.00 0.00 N ATOM 260 CA ASP A 46 66.743 17.169 -4.795 1.00 0.00 C ATOM 261 C ASP A 46 67.557 17.901 -5.872 1.00 0.00 C ATOM 262 O ASP A 46 67.082 18.097 -6.978 1.00 0.00 O ATOM 263 CB ASP A 46 65.958 18.182 -3.952 1.00 0.00 C ATOM 264 CG ASP A 46 65.029 17.438 -2.989 1.00 0.00 C ATOM 265 OD1 ASP A 46 64.385 16.497 -3.424 1.00 0.00 O ATOM 266 OD2 ASP A 46 64.982 17.820 -1.831 1.00 0.00 O ATOM 0 H ASP A 46 67.557 16.740 -2.859 1.00 0.00 H new ATOM 0 HA ASP A 46 66.087 16.472 -5.317 1.00 0.00 H new ATOM 0 HB2 ASP A 46 66.646 18.816 -3.393 1.00 0.00 H new ATOM 0 HB3 ASP A 46 65.377 18.837 -4.601 1.00 0.00 H new ATOM 271 N ASP A 47 68.768 18.303 -5.553 1.00 0.00 N ATOM 272 CA ASP A 47 69.607 19.068 -6.535 1.00 0.00 C ATOM 273 C ASP A 47 70.501 18.134 -7.375 1.00 0.00 C ATOM 274 O ASP A 47 71.421 18.594 -8.029 1.00 0.00 O ATOM 275 CB ASP A 47 70.454 20.038 -5.688 1.00 0.00 C ATOM 276 CG ASP A 47 71.371 19.278 -4.718 1.00 0.00 C ATOM 277 OD1 ASP A 47 70.854 18.516 -3.919 1.00 0.00 O ATOM 278 OD2 ASP A 47 72.572 19.477 -4.792 1.00 0.00 O ATOM 0 H ASP A 47 69.213 18.133 -4.651 1.00 0.00 H new ATOM 0 HA ASP A 47 68.984 19.599 -7.255 1.00 0.00 H new ATOM 0 HB2 ASP A 47 71.056 20.666 -6.344 1.00 0.00 H new ATOM 0 HB3 ASP A 47 69.797 20.702 -5.126 1.00 0.00 H new ATOM 283 N ALA A 48 70.238 16.841 -7.365 1.00 0.00 N ATOM 284 CA ALA A 48 71.158 15.869 -8.041 1.00 0.00 C ATOM 285 C ALA A 48 70.938 15.896 -9.555 1.00 0.00 C ATOM 286 O ALA A 48 69.920 16.368 -10.029 1.00 0.00 O ATOM 287 CB ALA A 48 70.805 14.490 -7.471 1.00 0.00 C ATOM 0 H ALA A 48 69.424 16.421 -6.916 1.00 0.00 H new ATOM 0 HA ALA A 48 72.205 16.116 -7.864 1.00 0.00 H new ATOM 0 HB1 ALA A 48 71.444 13.734 -7.926 1.00 0.00 H new ATOM 0 HB2 ALA A 48 70.958 14.492 -6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 48 69.762 14.262 -7.689 1.00 0.00 H new ATOM 293 N ILE A 49 71.890 15.388 -10.306 1.00 0.00 N ATOM 294 CA ILE A 49 71.783 15.404 -11.803 1.00 0.00 C ATOM 295 C ILE A 49 71.933 13.970 -12.326 1.00 0.00 C ATOM 296 O ILE A 49 72.781 13.236 -11.864 1.00 0.00 O ATOM 297 CB ILE A 49 72.932 16.306 -12.302 1.00 0.00 C ATOM 298 CG1 ILE A 49 72.806 17.715 -11.704 1.00 0.00 C ATOM 299 CG2 ILE A 49 72.881 16.426 -13.833 1.00 0.00 C ATOM 300 CD1 ILE A 49 74.110 18.485 -11.922 1.00 0.00 C ATOM 0 H ILE A 49 72.742 14.960 -9.943 1.00 0.00 H new ATOM 0 HA ILE A 49 70.823 15.784 -12.153 1.00 0.00 H new ATOM 0 HB ILE A 49 73.874 15.855 -11.991 1.00 0.00 H new ATOM 0 HG12 ILE A 49 71.976 18.246 -12.171 1.00 0.00 H new ATOM 0 HG13 ILE A 49 72.584 17.650 -10.639 1.00 0.00 H new ATOM 0 HG21 ILE A 49 73.696 17.064 -14.175 1.00 0.00 H new ATOM 0 HG22 ILE A 49 72.983 15.437 -14.279 1.00 0.00 H new ATOM 0 HG23 ILE A 49 71.928 16.862 -14.132 1.00 0.00 H new ATOM 0 HD11 ILE A 49 74.018 19.484 -11.497 1.00 0.00 H new ATOM 0 HD12 ILE A 49 74.930 17.957 -11.435 1.00 0.00 H new ATOM 0 HD13 ILE A 49 74.313 18.562 -12.990 1.00 0.00 H new ATOM 312 N ASN A 50 71.102 13.581 -13.279 1.00 0.00 N ATOM 313 CA ASN A 50 71.079 12.174 -13.837 1.00 0.00 C ATOM 314 C ASN A 50 71.318 11.087 -12.766 1.00 0.00 C ATOM 315 O ASN A 50 72.051 10.141 -12.981 1.00 0.00 O ATOM 316 CB ASN A 50 72.147 12.138 -14.947 1.00 0.00 C ATOM 317 CG ASN A 50 73.553 12.367 -14.382 1.00 0.00 C ATOM 318 OD1 ASN A 50 74.071 11.539 -13.662 1.00 0.00 O ATOM 319 ND2 ASN A 50 74.197 13.459 -14.689 1.00 0.00 N ATOM 0 H ASN A 50 70.416 14.202 -13.707 1.00 0.00 H new ATOM 0 HA ASN A 50 70.089 11.942 -14.229 1.00 0.00 H new ATOM 0 HB2 ASN A 50 72.111 11.175 -15.457 1.00 0.00 H new ATOM 0 HB3 ASN A 50 71.924 12.902 -15.692 1.00 0.00 H new ATOM 0 HD21 ASN A 50 75.136 13.617 -14.324 1.00 0.00 H new ATOM 0 HD22 ASN A 50 73.761 14.155 -15.294 1.00 0.00 H new ATOM 326 N ASN A 51 70.691 11.234 -11.613 1.00 0.00 N ATOM 327 CA ASN A 51 70.856 10.259 -10.474 1.00 0.00 C ATOM 328 C ASN A 51 72.337 10.089 -10.090 1.00 0.00 C ATOM 329 O ASN A 51 72.806 8.985 -9.863 1.00 0.00 O ATOM 330 CB ASN A 51 70.250 8.930 -10.956 1.00 0.00 C ATOM 331 CG ASN A 51 68.747 9.104 -11.188 1.00 0.00 C ATOM 332 OD1 ASN A 51 68.081 9.796 -10.444 1.00 0.00 O ATOM 333 ND2 ASN A 51 68.180 8.499 -12.197 1.00 0.00 N ATOM 0 H ASN A 51 70.057 12.007 -11.410 1.00 0.00 H new ATOM 0 HA ASN A 51 70.353 10.619 -9.576 1.00 0.00 H new ATOM 0 HB2 ASN A 51 70.736 8.611 -11.878 1.00 0.00 H new ATOM 0 HB3 ASN A 51 70.426 8.149 -10.216 1.00 0.00 H new ATOM 0 HD21 ASN A 51 67.179 8.608 -12.360 1.00 0.00 H new ATOM 0 HD22 ASN A 51 68.738 7.918 -12.822 1.00 0.00 H new ATOM 340 N THR A 52 73.068 11.181 -10.016 1.00 0.00 N ATOM 341 CA THR A 52 74.460 11.135 -9.462 1.00 0.00 C ATOM 342 C THR A 52 74.721 12.361 -8.580 1.00 0.00 C ATOM 343 O THR A 52 74.029 13.361 -8.684 1.00 0.00 O ATOM 344 CB THR A 52 75.392 11.151 -10.679 1.00 0.00 C ATOM 345 OG1 THR A 52 75.116 12.296 -11.469 1.00 0.00 O ATOM 346 CG2 THR A 52 75.185 9.885 -11.514 1.00 0.00 C ATOM 0 H THR A 52 72.757 12.105 -10.317 1.00 0.00 H new ATOM 0 HA THR A 52 74.618 10.251 -8.844 1.00 0.00 H new ATOM 0 HB THR A 52 76.427 11.184 -10.338 1.00 0.00 H new ATOM 0 HG1 THR A 52 74.390 12.094 -12.095 1.00 0.00 H new ATOM 0 HG21 THR A 52 75.851 9.905 -12.376 1.00 0.00 H new ATOM 0 HG22 THR A 52 75.405 9.008 -10.906 1.00 0.00 H new ATOM 0 HG23 THR A 52 74.151 9.839 -11.855 1.00 0.00 H new ATOM 354 N CYS A 53 75.716 12.281 -7.725 1.00 0.00 N ATOM 355 CA CYS A 53 76.066 13.438 -6.838 1.00 0.00 C ATOM 356 C CYS A 53 77.589 13.597 -6.733 1.00 0.00 C ATOM 357 O CYS A 53 78.335 12.694 -7.069 1.00 0.00 O ATOM 358 CB CYS A 53 75.434 13.139 -5.463 1.00 0.00 C ATOM 359 SG CYS A 53 76.037 11.570 -4.767 1.00 0.00 S ATOM 0 H CYS A 53 76.305 11.457 -7.604 1.00 0.00 H new ATOM 0 HA CYS A 53 75.686 14.377 -7.239 1.00 0.00 H new ATOM 0 HB2 CYS A 53 75.661 13.953 -4.774 1.00 0.00 H new ATOM 0 HB3 CYS A 53 74.349 13.099 -5.563 1.00 0.00 H new ATOM 364 N ILE A 54 78.038 14.739 -6.266 1.00 0.00 N ATOM 365 CA ILE A 54 79.507 15.033 -6.212 1.00 0.00 C ATOM 366 C ILE A 54 79.972 15.010 -4.747 1.00 0.00 C ATOM 367 O ILE A 54 79.347 15.612 -3.891 1.00 0.00 O ATOM 368 CB ILE A 54 79.661 16.441 -6.828 1.00 0.00 C ATOM 369 CG1 ILE A 54 79.162 16.442 -8.281 1.00 0.00 C ATOM 370 CG2 ILE A 54 81.135 16.873 -6.825 1.00 0.00 C ATOM 371 CD1 ILE A 54 78.978 17.884 -8.759 1.00 0.00 C ATOM 0 H ILE A 54 77.442 15.489 -5.916 1.00 0.00 H new ATOM 0 HA ILE A 54 80.109 14.303 -6.752 1.00 0.00 H new ATOM 0 HB ILE A 54 79.072 17.134 -6.228 1.00 0.00 H new ATOM 0 HG12 ILE A 54 79.876 15.924 -8.922 1.00 0.00 H new ATOM 0 HG13 ILE A 54 78.218 15.901 -8.353 1.00 0.00 H new ATOM 0 HG21 ILE A 54 81.224 17.867 -7.263 1.00 0.00 H new ATOM 0 HG22 ILE A 54 81.506 16.893 -5.800 1.00 0.00 H new ATOM 0 HG23 ILE A 54 81.723 16.165 -7.410 1.00 0.00 H new ATOM 0 HD11 ILE A 54 78.624 17.883 -9.790 1.00 0.00 H new ATOM 0 HD12 ILE A 54 78.248 18.387 -8.125 1.00 0.00 H new ATOM 0 HD13 ILE A 54 79.931 18.410 -8.703 1.00 0.00 H new ATOM 383 N THR A 55 81.057 14.323 -4.466 1.00 0.00 N ATOM 384 CA THR A 55 81.583 14.256 -3.064 1.00 0.00 C ATOM 385 C THR A 55 83.115 14.333 -3.048 1.00 0.00 C ATOM 386 O THR A 55 83.772 13.935 -3.993 1.00 0.00 O ATOM 387 CB THR A 55 81.088 12.912 -2.497 1.00 0.00 C ATOM 388 OG1 THR A 55 81.554 12.769 -1.165 1.00 0.00 O ATOM 389 CG2 THR A 55 81.591 11.727 -3.340 1.00 0.00 C ATOM 0 H THR A 55 81.603 13.803 -5.153 1.00 0.00 H new ATOM 0 HA THR A 55 81.231 15.095 -2.463 1.00 0.00 H new ATOM 0 HB THR A 55 79.998 12.910 -2.523 1.00 0.00 H new ATOM 0 HG1 THR A 55 81.030 12.079 -0.707 1.00 0.00 H new ATOM 0 HG21 THR A 55 81.224 10.794 -2.912 1.00 0.00 H new ATOM 0 HG22 THR A 55 81.225 11.826 -4.362 1.00 0.00 H new ATOM 0 HG23 THR A 55 82.681 11.720 -3.344 1.00 0.00 H new ATOM 397 N ASN A 56 83.674 14.848 -1.977 1.00 0.00 N ATOM 398 CA ASN A 56 85.150 14.720 -1.740 1.00 0.00 C ATOM 399 C ASN A 56 85.430 13.741 -0.589 1.00 0.00 C ATOM 400 O ASN A 56 86.410 13.882 0.121 1.00 0.00 O ATOM 401 CB ASN A 56 85.652 16.138 -1.403 1.00 0.00 C ATOM 402 CG ASN A 56 84.928 16.714 -0.174 1.00 0.00 C ATOM 403 OD1 ASN A 56 84.839 16.071 0.853 1.00 0.00 O ATOM 404 ND2 ASN A 56 84.409 17.908 -0.242 1.00 0.00 N ATOM 0 H ASN A 56 83.167 15.355 -1.251 1.00 0.00 H new ATOM 0 HA ASN A 56 85.664 14.322 -2.615 1.00 0.00 H new ATOM 0 HB2 ASN A 56 86.725 16.110 -1.215 1.00 0.00 H new ATOM 0 HB3 ASN A 56 85.496 16.794 -2.259 1.00 0.00 H new ATOM 0 HD21 ASN A 56 83.928 18.302 0.567 1.00 0.00 H new ATOM 0 HD22 ASN A 56 84.484 18.448 -1.104 1.00 0.00 H new ATOM 411 N GLY A 57 84.573 12.759 -0.407 1.00 0.00 N ATOM 412 CA GLY A 57 84.804 11.713 0.637 1.00 0.00 C ATOM 413 C GLY A 57 84.814 10.334 -0.026 1.00 0.00 C ATOM 414 O GLY A 57 85.838 9.883 -0.510 1.00 0.00 O ATOM 0 H GLY A 57 83.715 12.640 -0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 57 85.752 11.892 1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 57 84.022 11.760 1.395 1.00 0.00 H new ATOM 418 N HIS A 58 83.679 9.669 -0.049 1.00 0.00 N ATOM 419 CA HIS A 58 83.572 8.350 -0.753 1.00 0.00 C ATOM 420 C HIS A 58 82.148 8.169 -1.283 1.00 0.00 C ATOM 421 O HIS A 58 81.271 8.960 -0.986 1.00 0.00 O ATOM 422 CB HIS A 58 83.878 7.268 0.296 1.00 0.00 C ATOM 423 CG HIS A 58 85.150 7.486 1.077 1.00 0.00 C ATOM 424 ND1 HIS A 58 86.398 7.480 0.479 1.00 0.00 N ATOM 425 CD2 HIS A 58 85.376 7.717 2.413 1.00 0.00 C ATOM 426 CE1 HIS A 58 87.312 7.702 1.441 1.00 0.00 C ATOM 427 NE2 HIS A 58 86.743 7.854 2.640 1.00 0.00 N ATOM 0 H HIS A 58 82.817 9.988 0.394 1.00 0.00 H new ATOM 0 HA HIS A 58 84.262 8.289 -1.595 1.00 0.00 H new ATOM 0 HB2 HIS A 58 83.044 7.214 0.995 1.00 0.00 H new ATOM 0 HB3 HIS A 58 83.937 6.302 -0.205 1.00 0.00 H new ATOM 0 HD2 HIS A 58 84.610 7.782 3.171 1.00 0.00 H new ATOM 0 HE1 HIS A 58 88.376 7.751 1.265 1.00 0.00 H new ATOM 0 HE2 HIS A 58 87.209 8.032 3.530 1.00 0.00 H new ATOM 435 N CYS A 59 81.922 7.140 -2.062 1.00 0.00 N ATOM 436 CA CYS A 59 80.523 6.721 -2.387 1.00 0.00 C ATOM 437 C CYS A 59 80.084 5.666 -1.371 1.00 0.00 C ATOM 438 O CYS A 59 80.864 4.798 -1.016 1.00 0.00 O ATOM 439 CB CYS A 59 80.559 6.106 -3.796 1.00 0.00 C ATOM 440 SG CYS A 59 81.180 7.290 -5.027 1.00 0.00 S ATOM 0 H CYS A 59 82.651 6.569 -2.489 1.00 0.00 H new ATOM 0 HA CYS A 59 79.828 7.560 -2.351 1.00 0.00 H new ATOM 0 HB2 CYS A 59 81.193 5.220 -3.791 1.00 0.00 H new ATOM 0 HB3 CYS A 59 79.558 5.780 -4.077 1.00 0.00 H new ATOM 445 N PHE A 60 78.855 5.732 -0.903 1.00 0.00 N ATOM 446 CA PHE A 60 78.395 4.778 0.158 1.00 0.00 C ATOM 447 C PHE A 60 77.050 4.144 -0.233 1.00 0.00 C ATOM 448 O PHE A 60 76.255 4.747 -0.931 1.00 0.00 O ATOM 449 CB PHE A 60 78.304 5.614 1.454 1.00 0.00 C ATOM 450 CG PHE A 60 77.052 6.462 1.615 1.00 0.00 C ATOM 451 CD1 PHE A 60 75.902 5.910 2.262 1.00 0.00 C ATOM 452 CD2 PHE A 60 77.019 7.805 1.128 1.00 0.00 C ATOM 453 CE1 PHE A 60 74.721 6.698 2.420 1.00 0.00 C ATOM 454 CE2 PHE A 60 75.837 8.595 1.286 1.00 0.00 C ATOM 455 CZ PHE A 60 74.689 8.041 1.932 1.00 0.00 C ATOM 0 H PHE A 60 78.153 6.405 -1.211 1.00 0.00 H new ATOM 0 HA PHE A 60 79.080 3.941 0.293 1.00 0.00 H new ATOM 0 HB2 PHE A 60 78.372 4.936 2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 60 79.172 6.271 1.500 1.00 0.00 H new ATOM 0 HD1 PHE A 60 75.927 4.896 2.632 1.00 0.00 H new ATOM 0 HD2 PHE A 60 77.887 8.224 0.640 1.00 0.00 H new ATOM 0 HE1 PHE A 60 73.853 6.279 2.908 1.00 0.00 H new ATOM 0 HE2 PHE A 60 75.812 9.610 0.917 1.00 0.00 H new ATOM 0 HZ PHE A 60 73.797 8.638 2.052 1.00 0.00 H new ATOM 465 N ALA A 61 76.812 2.936 0.224 1.00 0.00 N ATOM 466 CA ALA A 61 75.514 2.249 -0.052 1.00 0.00 C ATOM 467 C ALA A 61 75.208 1.264 1.077 1.00 0.00 C ATOM 468 O ALA A 61 76.100 0.619 1.596 1.00 0.00 O ATOM 469 CB ALA A 61 75.727 1.508 -1.373 1.00 0.00 C ATOM 0 H ALA A 61 77.471 2.393 0.782 1.00 0.00 H new ATOM 0 HA ALA A 61 74.676 2.943 -0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 61 74.814 0.977 -1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 61 75.976 2.224 -2.156 1.00 0.00 H new ATOM 0 HB3 ALA A 61 76.543 0.794 -1.262 1.00 0.00 H new ATOM 475 N ILE A 62 73.954 1.148 1.449 1.00 0.00 N ATOM 476 CA ILE A 62 73.581 0.321 2.638 1.00 0.00 C ATOM 477 C ILE A 62 72.241 -0.397 2.392 1.00 0.00 C ATOM 478 O ILE A 62 71.386 0.103 1.683 1.00 0.00 O ATOM 479 CB ILE A 62 73.505 1.317 3.815 1.00 0.00 C ATOM 480 CG1 ILE A 62 73.206 0.563 5.115 1.00 0.00 C ATOM 481 CG2 ILE A 62 72.414 2.372 3.578 1.00 0.00 C ATOM 482 CD1 ILE A 62 73.498 1.471 6.310 1.00 0.00 C ATOM 0 H ILE A 62 73.169 1.595 0.975 1.00 0.00 H new ATOM 0 HA ILE A 62 74.304 -0.468 2.845 1.00 0.00 H new ATOM 0 HB ILE A 62 74.467 1.823 3.892 1.00 0.00 H new ATOM 0 HG12 ILE A 62 72.163 0.246 5.132 1.00 0.00 H new ATOM 0 HG13 ILE A 62 73.815 -0.339 5.173 1.00 0.00 H new ATOM 0 HG21 ILE A 62 72.383 3.060 4.423 1.00 0.00 H new ATOM 0 HG22 ILE A 62 72.636 2.927 2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 62 71.447 1.879 3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 62 73.285 0.935 7.235 1.00 0.00 H new ATOM 0 HD12 ILE A 62 74.547 1.766 6.295 1.00 0.00 H new ATOM 0 HD13 ILE A 62 72.870 2.360 6.253 1.00 0.00 H new ATOM 494 N ILE A 63 72.074 -1.561 2.975 1.00 0.00 N ATOM 495 CA ILE A 63 70.803 -2.338 2.819 1.00 0.00 C ATOM 496 C ILE A 63 70.394 -2.931 4.178 1.00 0.00 C ATOM 497 O ILE A 63 71.239 -3.316 4.965 1.00 0.00 O ATOM 498 CB ILE A 63 71.117 -3.431 1.773 1.00 0.00 C ATOM 499 CG1 ILE A 63 69.867 -4.280 1.513 1.00 0.00 C ATOM 500 CG2 ILE A 63 72.251 -4.348 2.254 1.00 0.00 C ATOM 501 CD1 ILE A 63 70.056 -5.089 0.229 1.00 0.00 C ATOM 0 H ILE A 63 72.776 -2.012 3.561 1.00 0.00 H new ATOM 0 HA ILE A 63 69.965 -1.725 2.487 1.00 0.00 H new ATOM 0 HB ILE A 63 71.430 -2.935 0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 63 69.688 -4.950 2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 63 68.991 -3.638 1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 63 72.450 -5.107 1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 63 73.151 -3.757 2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 63 71.957 -4.832 3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 63 69.167 -5.692 0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 63 70.214 -4.410 -0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 63 70.922 -5.742 0.335 1.00 0.00 H new ATOM 513 N GLU A 64 69.109 -3.012 4.440 1.00 0.00 N ATOM 514 CA GLU A 64 68.626 -3.309 5.828 1.00 0.00 C ATOM 515 C GLU A 64 67.317 -4.100 5.763 1.00 0.00 C ATOM 516 O GLU A 64 66.518 -3.906 4.865 1.00 0.00 O ATOM 517 CB GLU A 64 68.385 -1.943 6.481 1.00 0.00 C ATOM 518 CG GLU A 64 69.708 -1.185 6.623 1.00 0.00 C ATOM 519 CD GLU A 64 69.498 0.046 7.506 1.00 0.00 C ATOM 520 OE1 GLU A 64 69.660 -0.077 8.709 1.00 0.00 O ATOM 521 OE2 GLU A 64 69.179 1.092 6.964 1.00 0.00 O ATOM 0 H GLU A 64 68.371 -2.884 3.748 1.00 0.00 H new ATOM 0 HA GLU A 64 69.344 -3.904 6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 64 67.687 -1.362 5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 64 67.926 -2.076 7.461 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.466 -1.834 7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.074 -0.884 5.641 1.00 0.00 H new ATOM 528 N GLU A 65 67.102 -4.985 6.712 1.00 0.00 N ATOM 529 CA GLU A 65 65.898 -5.872 6.678 1.00 0.00 C ATOM 530 C GLU A 65 64.827 -5.350 7.644 1.00 0.00 C ATOM 531 O GLU A 65 65.047 -5.285 8.841 1.00 0.00 O ATOM 532 CB GLU A 65 66.422 -7.241 7.126 1.00 0.00 C ATOM 533 CG GLU A 65 65.322 -8.307 7.006 1.00 0.00 C ATOM 534 CD GLU A 65 64.517 -8.404 8.311 1.00 0.00 C ATOM 535 OE1 GLU A 65 65.089 -8.187 9.368 1.00 0.00 O ATOM 536 OE2 GLU A 65 63.338 -8.708 8.230 1.00 0.00 O ATOM 0 H GLU A 65 67.716 -5.129 7.514 1.00 0.00 H new ATOM 0 HA GLU A 65 65.431 -5.914 5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 65 67.280 -7.525 6.516 1.00 0.00 H new ATOM 0 HB3 GLU A 65 66.769 -7.184 8.158 1.00 0.00 H new ATOM 0 HG2 GLU A 65 64.656 -8.059 6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 65 65.769 -9.274 6.776 1.00 0.00 H new ATOM 543 N ASP A 66 63.677 -4.982 7.121 1.00 0.00 N ATOM 544 CA ASP A 66 62.604 -4.372 7.972 1.00 0.00 C ATOM 545 C ASP A 66 61.722 -5.462 8.593 1.00 0.00 C ATOM 546 O ASP A 66 61.881 -6.630 8.299 1.00 0.00 O ATOM 547 CB ASP A 66 61.783 -3.461 7.035 1.00 0.00 C ATOM 548 CG ASP A 66 61.166 -4.236 5.853 1.00 0.00 C ATOM 549 OD1 ASP A 66 61.227 -5.457 5.846 1.00 0.00 O ATOM 550 OD2 ASP A 66 60.639 -3.583 4.967 1.00 0.00 O ATOM 0 H ASP A 66 63.436 -5.080 6.135 1.00 0.00 H new ATOM 0 HA ASP A 66 63.026 -3.804 8.801 1.00 0.00 H new ATOM 0 HB2 ASP A 66 60.988 -2.980 7.605 1.00 0.00 H new ATOM 0 HB3 ASP A 66 62.424 -2.668 6.651 1.00 0.00 H new ATOM 555 N ASP A 67 60.793 -5.077 9.442 1.00 0.00 N ATOM 556 CA ASP A 67 59.977 -6.087 10.209 1.00 0.00 C ATOM 557 C ASP A 67 59.178 -7.011 9.272 1.00 0.00 C ATOM 558 O ASP A 67 58.736 -8.067 9.690 1.00 0.00 O ATOM 559 CB ASP A 67 59.020 -5.271 11.086 1.00 0.00 C ATOM 560 CG ASP A 67 59.819 -4.489 12.130 1.00 0.00 C ATOM 561 OD1 ASP A 67 60.711 -5.073 12.724 1.00 0.00 O ATOM 562 OD2 ASP A 67 59.525 -3.322 12.318 1.00 0.00 O ATOM 0 H ASP A 67 60.562 -4.103 9.639 1.00 0.00 H new ATOM 0 HA ASP A 67 60.626 -6.736 10.797 1.00 0.00 H new ATOM 0 HB2 ASP A 67 58.441 -4.585 10.468 1.00 0.00 H new ATOM 0 HB3 ASP A 67 58.309 -5.934 11.579 1.00 0.00 H new ATOM 567 N GLN A 68 58.990 -6.626 8.025 1.00 0.00 N ATOM 568 CA GLN A 68 58.244 -7.499 7.058 1.00 0.00 C ATOM 569 C GLN A 68 59.194 -8.406 6.252 1.00 0.00 C ATOM 570 O GLN A 68 58.737 -9.296 5.552 1.00 0.00 O ATOM 571 CB GLN A 68 57.518 -6.529 6.123 1.00 0.00 C ATOM 572 CG GLN A 68 56.331 -5.902 6.857 1.00 0.00 C ATOM 573 CD GLN A 68 55.143 -6.867 6.830 1.00 0.00 C ATOM 574 OE1 GLN A 68 55.313 -8.063 6.957 1.00 0.00 O ATOM 575 NE2 GLN A 68 53.939 -6.392 6.668 1.00 0.00 N ATOM 0 H GLN A 68 59.323 -5.743 7.637 1.00 0.00 H new ATOM 0 HA GLN A 68 57.561 -8.169 7.581 1.00 0.00 H new ATOM 0 HB2 GLN A 68 58.203 -5.751 5.786 1.00 0.00 H new ATOM 0 HB3 GLN A 68 57.172 -7.055 5.234 1.00 0.00 H new ATOM 0 HG2 GLN A 68 56.606 -5.676 7.887 1.00 0.00 H new ATOM 0 HG3 GLN A 68 56.057 -4.958 6.386 1.00 0.00 H new ATOM 0 HE21 GLN A 68 53.797 -5.388 6.561 1.00 0.00 H new ATOM 0 HE22 GLN A 68 53.139 -7.025 6.648 1.00 0.00 H new ATOM 584 N GLY A 69 60.492 -8.198 6.340 1.00 0.00 N ATOM 585 CA GLY A 69 61.467 -9.079 5.620 1.00 0.00 C ATOM 586 C GLY A 69 61.740 -8.555 4.200 1.00 0.00 C ATOM 587 O GLY A 69 62.178 -9.306 3.347 1.00 0.00 O ATOM 0 H GLY A 69 60.917 -7.448 6.885 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.401 -9.127 6.180 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.075 -10.095 5.567 1.00 0.00 H new ATOM 591 N GLU A 70 61.485 -7.288 3.939 1.00 0.00 N ATOM 592 CA GLU A 70 61.941 -6.663 2.659 1.00 0.00 C ATOM 593 C GLU A 70 63.260 -5.920 2.886 1.00 0.00 C ATOM 594 O GLU A 70 63.466 -5.331 3.934 1.00 0.00 O ATOM 595 CB GLU A 70 60.833 -5.680 2.273 1.00 0.00 C ATOM 596 CG GLU A 70 59.564 -6.455 1.909 1.00 0.00 C ATOM 597 CD GLU A 70 58.486 -5.476 1.442 1.00 0.00 C ATOM 598 OE1 GLU A 70 57.909 -4.813 2.288 1.00 0.00 O ATOM 599 OE2 GLU A 70 58.255 -5.407 0.246 1.00 0.00 O ATOM 0 H GLU A 70 60.978 -6.662 4.564 1.00 0.00 H new ATOM 0 HA GLU A 70 62.115 -7.402 1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 70 60.631 -5.000 3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 70 61.153 -5.069 1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 70 59.779 -7.178 1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 70 59.209 -7.019 2.772 1.00 0.00 H new ATOM 606 N THR A 71 64.145 -5.949 1.915 1.00 0.00 N ATOM 607 CA THR A 71 65.438 -5.204 2.035 1.00 0.00 C ATOM 608 C THR A 71 65.320 -3.827 1.377 1.00 0.00 C ATOM 609 O THR A 71 64.948 -3.718 0.223 1.00 0.00 O ATOM 610 CB THR A 71 66.473 -6.059 1.296 1.00 0.00 C ATOM 611 OG1 THR A 71 65.938 -6.496 0.055 1.00 0.00 O ATOM 612 CG2 THR A 71 66.839 -7.270 2.156 1.00 0.00 C ATOM 0 H THR A 71 64.025 -6.460 1.041 1.00 0.00 H new ATOM 0 HA THR A 71 65.716 -5.040 3.076 1.00 0.00 H new ATOM 0 HB THR A 71 67.367 -5.464 1.108 1.00 0.00 H new ATOM 0 HG1 THR A 71 65.408 -5.775 -0.344 1.00 0.00 H new ATOM 0 HG21 THR A 71 67.575 -7.879 1.632 1.00 0.00 H new ATOM 0 HG22 THR A 71 67.257 -6.930 3.103 1.00 0.00 H new ATOM 0 HG23 THR A 71 65.945 -7.864 2.346 1.00 0.00 H new ATOM 620 N THR A 72 65.637 -2.783 2.112 1.00 0.00 N ATOM 621 CA THR A 72 65.597 -1.400 1.540 1.00 0.00 C ATOM 622 C THR A 72 67.000 -0.963 1.110 1.00 0.00 C ATOM 623 O THR A 72 67.876 -0.779 1.936 1.00 0.00 O ATOM 624 CB THR A 72 65.084 -0.511 2.676 1.00 0.00 C ATOM 625 OG1 THR A 72 65.792 -0.807 3.871 1.00 0.00 O ATOM 626 CG2 THR A 72 63.592 -0.768 2.887 1.00 0.00 C ATOM 0 H THR A 72 65.923 -2.833 3.090 1.00 0.00 H new ATOM 0 HA THR A 72 64.960 -1.340 0.657 1.00 0.00 H new ATOM 0 HB THR A 72 65.240 0.536 2.416 1.00 0.00 H new ATOM 0 HG1 THR A 72 66.746 -0.909 3.670 1.00 0.00 H new ATOM 0 HG21 THR A 72 63.225 -0.136 3.696 1.00 0.00 H new ATOM 0 HG22 THR A 72 63.050 -0.536 1.970 1.00 0.00 H new ATOM 0 HG23 THR A 72 63.436 -1.815 3.146 1.00 0.00 H new ATOM 634 N LEU A 73 67.207 -0.801 -0.178 1.00 0.00 N ATOM 635 CA LEU A 73 68.552 -0.399 -0.698 1.00 0.00 C ATOM 636 C LEU A 73 68.597 1.111 -0.952 1.00 0.00 C ATOM 637 O LEU A 73 67.735 1.654 -1.619 1.00 0.00 O ATOM 638 CB LEU A 73 68.717 -1.167 -2.011 1.00 0.00 C ATOM 639 CG LEU A 73 69.008 -2.640 -1.715 1.00 0.00 C ATOM 640 CD1 LEU A 73 67.694 -3.380 -1.453 1.00 0.00 C ATOM 641 CD2 LEU A 73 69.716 -3.272 -2.914 1.00 0.00 C ATOM 0 H LEU A 73 66.494 -0.932 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 73 69.349 -0.624 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 73 67.811 -1.079 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 73 69.530 -0.736 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 73 69.647 -2.712 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 73 67.903 -4.429 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 73 67.188 -2.932 -0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 73 67.054 -3.307 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 73 69.923 -4.321 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 73 69.077 -3.198 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 73 70.653 -2.748 -3.101 1.00 0.00 H new ATOM 653 N ALA A 74 69.596 1.780 -0.420 1.00 0.00 N ATOM 654 CA ALA A 74 69.766 3.243 -0.679 1.00 0.00 C ATOM 655 C ALA A 74 71.253 3.603 -0.744 1.00 0.00 C ATOM 656 O ALA A 74 72.063 3.020 -0.047 1.00 0.00 O ATOM 657 CB ALA A 74 69.100 3.934 0.511 1.00 0.00 C ATOM 0 H ALA A 74 70.305 1.369 0.187 1.00 0.00 H new ATOM 0 HA ALA A 74 69.326 3.547 -1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 74 69.182 5.015 0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 74 68.048 3.652 0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 74 69.595 3.628 1.433 1.00 0.00 H new ATOM 663 N SER A 75 71.606 4.554 -1.580 1.00 0.00 N ATOM 664 CA SER A 75 73.031 4.998 -1.689 1.00 0.00 C ATOM 665 C SER A 75 73.091 6.509 -1.929 1.00 0.00 C ATOM 666 O SER A 75 72.087 7.127 -2.240 1.00 0.00 O ATOM 667 CB SER A 75 73.602 4.232 -2.882 1.00 0.00 C ATOM 668 OG SER A 75 72.935 4.641 -4.068 1.00 0.00 O ATOM 0 H SER A 75 70.959 5.045 -2.197 1.00 0.00 H new ATOM 0 HA SER A 75 73.598 4.799 -0.780 1.00 0.00 H new ATOM 0 HB2 SER A 75 74.672 4.420 -2.970 1.00 0.00 H new ATOM 0 HB3 SER A 75 73.478 3.159 -2.733 1.00 0.00 H new ATOM 0 HG SER A 75 73.301 4.152 -4.834 1.00 0.00 H new ATOM 674 N GLY A 76 74.258 7.098 -1.787 1.00 0.00 N ATOM 675 CA GLY A 76 74.399 8.575 -1.980 1.00 0.00 C ATOM 676 C GLY A 76 75.853 9.002 -1.756 1.00 0.00 C ATOM 677 O GLY A 76 76.753 8.179 -1.748 1.00 0.00 O ATOM 0 H GLY A 76 75.122 6.614 -1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 76 74.083 8.849 -2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 76 73.746 9.104 -1.286 1.00 0.00 H new ATOM 681 N CYS A 77 76.074 10.286 -1.571 1.00 0.00 N ATOM 682 CA CYS A 77 77.466 10.824 -1.445 1.00 0.00 C ATOM 683 C CYS A 77 77.847 10.976 0.031 1.00 0.00 C ATOM 684 O CYS A 77 77.088 11.515 0.817 1.00 0.00 O ATOM 685 CB CYS A 77 77.421 12.198 -2.128 1.00 0.00 C ATOM 686 SG CYS A 77 77.806 12.036 -3.891 1.00 0.00 S ATOM 0 H CYS A 77 75.339 10.990 -1.502 1.00 0.00 H new ATOM 0 HA CYS A 77 78.205 10.163 -1.897 1.00 0.00 H new ATOM 0 HB2 CYS A 77 76.433 12.641 -2.004 1.00 0.00 H new ATOM 0 HB3 CYS A 77 78.135 12.871 -1.653 1.00 0.00 H new ATOM 691 N MET A 78 79.019 10.505 0.403 1.00 0.00 N ATOM 692 CA MET A 78 79.498 10.653 1.812 1.00 0.00 C ATOM 693 C MET A 78 80.529 11.781 1.903 1.00 0.00 C ATOM 694 O MET A 78 81.547 11.744 1.233 1.00 0.00 O ATOM 695 CB MET A 78 80.088 9.339 2.329 1.00 0.00 C ATOM 696 CG MET A 78 80.354 9.324 3.824 1.00 0.00 C ATOM 697 SD MET A 78 81.099 7.784 4.385 1.00 0.00 S ATOM 698 CE MET A 78 79.647 6.752 4.572 1.00 0.00 C ATOM 0 H MET A 78 79.667 10.021 -0.219 1.00 0.00 H new ATOM 0 HA MET A 78 78.645 10.908 2.441 1.00 0.00 H new ATOM 0 HB2 MET A 78 79.405 8.525 2.084 1.00 0.00 H new ATOM 0 HB3 MET A 78 81.022 9.141 1.803 1.00 0.00 H new ATOM 0 HG2 MET A 78 81.012 10.155 4.080 1.00 0.00 H new ATOM 0 HG3 MET A 78 79.417 9.484 4.357 1.00 0.00 H new ATOM 0 HE1 MET A 78 79.914 5.712 4.387 1.00 0.00 H new ATOM 0 HE2 MET A 78 79.258 6.852 5.585 1.00 0.00 H new ATOM 0 HE3 MET A 78 78.885 7.064 3.858 1.00 0.00 H new ATOM 708 N LYS A 79 80.268 12.773 2.725 1.00 0.00 N ATOM 709 CA LYS A 79 81.258 13.887 2.919 1.00 0.00 C ATOM 710 C LYS A 79 82.523 13.364 3.615 1.00 0.00 C ATOM 711 O LYS A 79 82.509 12.302 4.213 1.00 0.00 O ATOM 712 CB LYS A 79 80.553 14.956 3.779 1.00 0.00 C ATOM 713 CG LYS A 79 80.111 14.380 5.134 1.00 0.00 C ATOM 714 CD LYS A 79 79.793 15.531 6.093 1.00 0.00 C ATOM 715 CE LYS A 79 79.929 15.049 7.541 1.00 0.00 C ATOM 716 NZ LYS A 79 79.998 16.297 8.354 1.00 0.00 N ATOM 0 H LYS A 79 79.411 12.860 3.271 1.00 0.00 H new ATOM 0 HA LYS A 79 81.574 14.308 1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 79 81.227 15.797 3.941 1.00 0.00 H new ATOM 0 HB3 LYS A 79 79.685 15.341 3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 79 79.234 13.746 5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 79 80.899 13.752 5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 79 80.470 16.366 5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 79 78.782 15.897 5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 79 79.079 14.433 7.834 1.00 0.00 H new ATOM 0 HE3 LYS A 79 80.824 14.441 7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 80.092 16.051 9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 80.820 16.860 8.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 79.130 16.852 8.213 1.00 0.00 H new ATOM 994 N ARG A 97 72.010 -5.929 8.760 1.00 0.00 N ATOM 995 CA ARG A 97 72.168 -5.127 7.511 1.00 0.00 C ATOM 996 C ARG A 97 73.540 -5.384 6.875 1.00 0.00 C ATOM 997 O ARG A 97 74.427 -5.936 7.503 1.00 0.00 O ATOM 998 CB ARG A 97 72.010 -3.654 7.935 1.00 0.00 C ATOM 999 CG ARG A 97 73.085 -3.255 8.957 1.00 0.00 C ATOM 1000 CD ARG A 97 72.798 -1.841 9.477 1.00 0.00 C ATOM 1001 NE ARG A 97 73.957 -1.492 10.367 1.00 0.00 N ATOM 1002 CZ ARG A 97 74.287 -0.240 10.639 1.00 0.00 C ATOM 1003 NH1 ARG A 97 73.618 0.789 10.168 1.00 0.00 N ATOM 1004 NH2 ARG A 97 75.314 -0.019 11.414 1.00 0.00 N ATOM 0 HA ARG A 97 71.428 -5.398 6.758 1.00 0.00 H new ATOM 0 HB2 ARG A 97 72.080 -3.010 7.058 1.00 0.00 H new ATOM 0 HB3 ARG A 97 71.020 -3.500 8.365 1.00 0.00 H new ATOM 0 HG2 ARG A 97 73.095 -3.963 9.785 1.00 0.00 H new ATOM 0 HG3 ARG A 97 74.072 -3.291 8.495 1.00 0.00 H new ATOM 0 HD2 ARG A 97 72.709 -1.132 8.654 1.00 0.00 H new ATOM 0 HD3 ARG A 97 71.858 -1.810 10.028 1.00 0.00 H new ATOM 0 HE ARG A 97 74.509 -2.246 10.776 1.00 0.00 H new ATOM 0 HH11 ARG A 97 72.808 0.639 9.566 1.00 0.00 H new ATOM 0 HH12 ARG A 97 73.909 1.738 10.404 1.00 0.00 H new ATOM 0 HH21 ARG A 97 75.843 -0.803 11.796 1.00 0.00 H new ATOM 0 HH22 ARG A 97 75.587 0.938 11.638 1.00 0.00 H new ATOM 1018 N THR A 98 73.705 -4.986 5.636 1.00 0.00 N ATOM 1019 CA THR A 98 75.049 -5.020 4.985 1.00 0.00 C ATOM 1020 C THR A 98 75.381 -3.632 4.432 1.00 0.00 C ATOM 1021 O THR A 98 74.494 -2.896 4.040 1.00 0.00 O ATOM 1022 CB THR A 98 74.923 -6.037 3.849 1.00 0.00 C ATOM 1023 OG1 THR A 98 74.322 -7.226 4.343 1.00 0.00 O ATOM 1024 CG2 THR A 98 76.312 -6.358 3.295 1.00 0.00 C ATOM 0 H THR A 98 72.954 -4.635 5.042 1.00 0.00 H new ATOM 0 HA THR A 98 75.844 -5.295 5.679 1.00 0.00 H new ATOM 0 HB THR A 98 74.304 -5.620 3.055 1.00 0.00 H new ATOM 0 HG1 THR A 98 75.017 -7.891 4.529 1.00 0.00 H new ATOM 0 HG21 THR A 98 76.222 -7.083 2.486 1.00 0.00 H new ATOM 0 HG22 THR A 98 76.772 -5.446 2.916 1.00 0.00 H new ATOM 0 HG23 THR A 98 76.933 -6.775 4.088 1.00 0.00 H new ATOM 1032 N ILE A 99 76.646 -3.279 4.401 1.00 0.00 N ATOM 1033 CA ILE A 99 77.045 -1.906 3.958 1.00 0.00 C ATOM 1034 C ILE A 99 78.354 -1.968 3.156 1.00 0.00 C ATOM 1035 O ILE A 99 79.151 -2.875 3.331 1.00 0.00 O ATOM 1036 CB ILE A 99 77.189 -1.084 5.256 1.00 0.00 C ATOM 1037 CG1 ILE A 99 77.523 0.373 4.913 1.00 0.00 C ATOM 1038 CG2 ILE A 99 78.291 -1.661 6.158 1.00 0.00 C ATOM 1039 CD1 ILE A 99 77.314 1.253 6.148 1.00 0.00 C ATOM 0 H ILE A 99 77.421 -3.887 4.665 1.00 0.00 H new ATOM 0 HA ILE A 99 76.312 -1.447 3.294 1.00 0.00 H new ATOM 0 HB ILE A 99 76.242 -1.131 5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 99 78.555 0.449 4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 99 76.890 0.719 4.096 1.00 0.00 H new ATOM 0 HG21 ILE A 99 78.370 -1.062 7.065 1.00 0.00 H new ATOM 0 HG22 ILE A 99 78.043 -2.689 6.423 1.00 0.00 H new ATOM 0 HG23 ILE A 99 79.243 -1.642 5.627 1.00 0.00 H new ATOM 0 HD11 ILE A 99 77.552 2.288 5.902 1.00 0.00 H new ATOM 0 HD12 ILE A 99 76.275 1.186 6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 99 77.966 0.912 6.952 1.00 0.00 H new ATOM 1051 N GLU A 100 78.565 -1.007 2.285 1.00 0.00 N ATOM 1052 CA GLU A 100 79.806 -0.986 1.450 1.00 0.00 C ATOM 1053 C GLU A 100 80.242 0.456 1.178 1.00 0.00 C ATOM 1054 O GLU A 100 79.423 1.358 1.127 1.00 0.00 O ATOM 1055 CB GLU A 100 79.422 -1.683 0.143 1.00 0.00 C ATOM 1056 CG GLU A 100 79.149 -3.165 0.411 1.00 0.00 C ATOM 1057 CD GLU A 100 79.038 -3.916 -0.919 1.00 0.00 C ATOM 1058 OE1 GLU A 100 78.382 -3.408 -1.813 1.00 0.00 O ATOM 1059 OE2 GLU A 100 79.614 -4.988 -1.020 1.00 0.00 O ATOM 0 H GLU A 100 77.924 -0.231 2.117 1.00 0.00 H new ATOM 0 HA GLU A 100 80.640 -1.481 1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 100 78.537 -1.212 -0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 100 80.225 -1.577 -0.587 1.00 0.00 H new ATOM 0 HG2 GLU A 100 79.952 -3.590 1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 100 78.227 -3.278 0.982 1.00 0.00 H new ATOM 1066 N CYS A 101 81.528 0.670 1.004 1.00 0.00 N ATOM 1067 CA CYS A 101 82.050 2.030 0.656 1.00 0.00 C ATOM 1068 C CYS A 101 83.223 1.909 -0.327 1.00 0.00 C ATOM 1069 O CYS A 101 83.952 0.932 -0.307 1.00 0.00 O ATOM 1070 CB CYS A 101 82.483 2.673 1.989 1.00 0.00 C ATOM 1071 SG CYS A 101 83.770 1.695 2.827 1.00 0.00 S ATOM 0 H CYS A 101 82.245 -0.050 1.090 1.00 0.00 H new ATOM 0 HA CYS A 101 81.298 2.646 0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 101 82.856 3.680 1.802 1.00 0.00 H new ATOM 0 HB3 CYS A 101 81.617 2.770 2.644 1.00 0.00 H new ATOM 0 HG CYS A 101 84.414 0.983 1.950 1.00 0.00 H new ATOM 1076 N CYS A 102 83.405 2.896 -1.176 1.00 0.00 N ATOM 1077 CA CYS A 102 84.424 2.786 -2.274 1.00 0.00 C ATOM 1078 C CYS A 102 84.852 4.176 -2.762 1.00 0.00 C ATOM 1079 O CYS A 102 84.025 5.038 -3.002 1.00 0.00 O ATOM 1080 CB CYS A 102 83.776 1.966 -3.407 1.00 0.00 C ATOM 1081 SG CYS A 102 82.190 2.680 -3.939 1.00 0.00 S ATOM 0 H CYS A 102 82.890 3.776 -1.156 1.00 0.00 H new ATOM 0 HA CYS A 102 85.329 2.292 -1.919 1.00 0.00 H new ATOM 0 HB2 CYS A 102 84.457 1.920 -4.257 1.00 0.00 H new ATOM 0 HB3 CYS A 102 83.618 0.942 -3.069 1.00 0.00 H new ATOM 1086 N ARG A 103 86.145 4.383 -2.905 1.00 0.00 N ATOM 1087 CA ARG A 103 86.677 5.726 -3.299 1.00 0.00 C ATOM 1088 C ARG A 103 87.156 5.709 -4.760 1.00 0.00 C ATOM 1089 O ARG A 103 88.277 6.087 -5.066 1.00 0.00 O ATOM 1090 CB ARG A 103 87.845 5.975 -2.336 1.00 0.00 C ATOM 1091 CG ARG A 103 88.280 7.439 -2.424 1.00 0.00 C ATOM 1092 CD ARG A 103 89.433 7.689 -1.450 1.00 0.00 C ATOM 1093 NE ARG A 103 90.632 7.078 -2.108 1.00 0.00 N ATOM 1094 CZ ARG A 103 91.269 7.667 -3.106 1.00 0.00 C ATOM 1095 NH1 ARG A 103 90.899 8.830 -3.595 1.00 0.00 N ATOM 1096 NH2 ARG A 103 92.306 7.069 -3.625 1.00 0.00 N ATOM 0 H ARG A 103 86.859 3.668 -2.763 1.00 0.00 H new ATOM 0 HA ARG A 103 85.922 6.510 -3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 103 87.546 5.735 -1.316 1.00 0.00 H new ATOM 0 HB3 ARG A 103 88.681 5.321 -2.585 1.00 0.00 H new ATOM 0 HG2 ARG A 103 88.592 7.676 -3.441 1.00 0.00 H new ATOM 0 HG3 ARG A 103 87.441 8.093 -2.187 1.00 0.00 H new ATOM 0 HD2 ARG A 103 89.578 8.755 -1.275 1.00 0.00 H new ATOM 0 HD3 ARG A 103 89.238 7.231 -0.481 1.00 0.00 H new ATOM 0 HE ARG A 103 90.969 6.175 -1.774 1.00 0.00 H new ATOM 0 HH11 ARG A 103 90.091 9.314 -3.203 1.00 0.00 H new ATOM 0 HH12 ARG A 103 91.420 9.248 -4.366 1.00 0.00 H new ATOM 0 HH21 ARG A 103 92.610 6.166 -3.260 1.00 0.00 H new ATOM 0 HH22 ARG A 103 92.813 7.504 -4.396 1.00 0.00 H new ATOM 1110 N THR A 104 86.306 5.271 -5.657 1.00 0.00 N ATOM 1111 CA THR A 104 86.634 5.307 -7.117 1.00 0.00 C ATOM 1112 C THR A 104 85.375 5.619 -7.927 1.00 0.00 C ATOM 1113 O THR A 104 84.274 5.295 -7.523 1.00 0.00 O ATOM 1114 CB THR A 104 87.173 3.911 -7.441 1.00 0.00 C ATOM 1115 OG1 THR A 104 86.279 2.928 -6.942 1.00 0.00 O ATOM 1116 CG2 THR A 104 88.546 3.730 -6.791 1.00 0.00 C ATOM 0 H THR A 104 85.388 4.885 -5.437 1.00 0.00 H new ATOM 0 HA THR A 104 87.363 6.079 -7.364 1.00 0.00 H new ATOM 0 HB THR A 104 87.265 3.801 -8.521 1.00 0.00 H new ATOM 0 HG1 THR A 104 86.624 2.035 -7.152 1.00 0.00 H new ATOM 0 HG21 THR A 104 88.930 2.736 -7.022 1.00 0.00 H new ATOM 0 HG22 THR A 104 89.233 4.483 -7.177 1.00 0.00 H new ATOM 0 HG23 THR A 104 88.455 3.842 -5.711 1.00 0.00 H new ATOM 1124 N ASN A 105 85.535 6.243 -9.068 1.00 0.00 N ATOM 1125 CA ASN A 105 84.372 6.915 -9.743 1.00 0.00 C ATOM 1126 C ASN A 105 83.279 5.909 -10.126 1.00 0.00 C ATOM 1127 O ASN A 105 83.546 4.871 -10.703 1.00 0.00 O ATOM 1128 CB ASN A 105 84.938 7.622 -10.991 1.00 0.00 C ATOM 1129 CG ASN A 105 85.616 6.615 -11.933 1.00 0.00 C ATOM 1130 OD1 ASN A 105 86.475 5.863 -11.522 1.00 0.00 O ATOM 1131 ND2 ASN A 105 85.260 6.576 -13.189 1.00 0.00 N ATOM 0 H ASN A 105 86.422 6.318 -9.566 1.00 0.00 H new ATOM 0 HA ASN A 105 83.898 7.628 -9.068 1.00 0.00 H new ATOM 0 HB2 ASN A 105 84.134 8.135 -11.519 1.00 0.00 H new ATOM 0 HB3 ASN A 105 85.657 8.383 -10.688 1.00 0.00 H new ATOM 0 HD21 ASN A 105 85.704 5.913 -13.825 1.00 0.00 H new ATOM 0 HD22 ASN A 105 84.538 7.208 -13.534 1.00 0.00 H new ATOM 1138 N LEU A 106 82.039 6.228 -9.799 1.00 0.00 N ATOM 1139 CA LEU A 106 80.866 5.336 -10.108 1.00 0.00 C ATOM 1140 C LEU A 106 81.091 3.899 -9.613 1.00 0.00 C ATOM 1141 O LEU A 106 80.551 2.960 -10.174 1.00 0.00 O ATOM 1142 CB LEU A 106 80.705 5.357 -11.639 1.00 0.00 C ATOM 1143 CG LEU A 106 80.418 6.783 -12.126 1.00 0.00 C ATOM 1144 CD1 LEU A 106 80.482 6.820 -13.654 1.00 0.00 C ATOM 1145 CD2 LEU A 106 79.023 7.217 -11.665 1.00 0.00 C ATOM 0 H LEU A 106 81.788 7.092 -9.319 1.00 0.00 H new ATOM 0 HA LEU A 106 79.971 5.695 -9.599 1.00 0.00 H new ATOM 0 HB2 LEU A 106 81.612 4.980 -12.112 1.00 0.00 H new ATOM 0 HB3 LEU A 106 79.892 4.694 -11.935 1.00 0.00 H new ATOM 0 HG LEU A 106 81.162 7.462 -11.711 1.00 0.00 H new ATOM 0 HD11 LEU A 106 80.278 7.833 -14.002 1.00 0.00 H new ATOM 0 HD12 LEU A 106 81.475 6.516 -13.984 1.00 0.00 H new ATOM 0 HD13 LEU A 106 79.738 6.138 -14.066 1.00 0.00 H new ATOM 0 HD21 LEU A 106 78.824 8.230 -12.013 1.00 0.00 H new ATOM 0 HD22 LEU A 106 78.276 6.538 -12.077 1.00 0.00 H new ATOM 0 HD23 LEU A 106 78.975 7.191 -10.576 1.00 0.00 H new ATOM 1157 N CYS A 107 81.879 3.728 -8.573 1.00 0.00 N ATOM 1158 CA CYS A 107 82.046 2.365 -7.952 1.00 0.00 C ATOM 1159 C CYS A 107 80.716 1.836 -7.386 1.00 0.00 C ATOM 1160 O CYS A 107 80.538 0.638 -7.253 1.00 0.00 O ATOM 1161 CB CYS A 107 83.100 2.506 -6.837 1.00 0.00 C ATOM 1162 SG CYS A 107 82.615 3.741 -5.594 1.00 0.00 S ATOM 0 H CYS A 107 82.415 4.472 -8.126 1.00 0.00 H new ATOM 0 HA CYS A 107 82.368 1.644 -8.703 1.00 0.00 H new ATOM 0 HB2 CYS A 107 83.246 1.541 -6.352 1.00 0.00 H new ATOM 0 HB3 CYS A 107 84.057 2.790 -7.276 1.00 0.00 H new ATOM 1167 N ASN A 108 79.795 2.716 -7.057 1.00 0.00 N ATOM 1168 CA ASN A 108 78.460 2.268 -6.530 1.00 0.00 C ATOM 1169 C ASN A 108 77.602 1.668 -7.650 1.00 0.00 C ATOM 1170 O ASN A 108 76.792 0.792 -7.406 1.00 0.00 O ATOM 1171 CB ASN A 108 77.788 3.528 -5.964 1.00 0.00 C ATOM 1172 CG ASN A 108 78.177 3.712 -4.494 1.00 0.00 C ATOM 1173 OD1 ASN A 108 79.275 3.377 -4.092 1.00 0.00 O ATOM 1174 ND2 ASN A 108 77.316 4.241 -3.669 1.00 0.00 N ATOM 0 H ASN A 108 79.910 3.727 -7.131 1.00 0.00 H new ATOM 0 HA ASN A 108 78.576 1.494 -5.771 1.00 0.00 H new ATOM 0 HB2 ASN A 108 78.090 4.402 -6.541 1.00 0.00 H new ATOM 0 HB3 ASN A 108 76.705 3.445 -6.055 1.00 0.00 H new ATOM 0 HD21 ASN A 108 77.564 4.373 -2.688 1.00 0.00 H new ATOM 0 HD22 ASN A 108 76.395 4.523 -4.004 1.00 0.00 H new ATOM 1181 N GLN A 109 77.774 2.129 -8.873 1.00 0.00 N ATOM 1182 CA GLN A 109 76.808 1.777 -9.972 1.00 0.00 C ATOM 1183 C GLN A 109 76.811 0.265 -10.235 1.00 0.00 C ATOM 1184 O GLN A 109 75.772 -0.328 -10.472 1.00 0.00 O ATOM 1185 CB GLN A 109 77.295 2.528 -11.217 1.00 0.00 C ATOM 1186 CG GLN A 109 76.229 2.453 -12.311 1.00 0.00 C ATOM 1187 CD GLN A 109 76.766 3.093 -13.593 1.00 0.00 C ATOM 1188 OE1 GLN A 109 77.808 2.710 -14.086 1.00 0.00 O ATOM 1189 NE2 GLN A 109 76.093 4.059 -14.156 1.00 0.00 N ATOM 0 H GLN A 109 78.544 2.735 -9.157 1.00 0.00 H new ATOM 0 HA GLN A 109 75.789 2.054 -9.704 1.00 0.00 H new ATOM 0 HB2 GLN A 109 77.503 3.569 -10.968 1.00 0.00 H new ATOM 0 HB3 GLN A 109 78.229 2.093 -11.574 1.00 0.00 H new ATOM 0 HG2 GLN A 109 75.957 1.414 -12.497 1.00 0.00 H new ATOM 0 HG3 GLN A 109 75.324 2.967 -11.987 1.00 0.00 H new ATOM 0 HE21 GLN A 109 75.218 4.380 -13.741 1.00 0.00 H new ATOM 0 HE22 GLN A 109 76.442 4.493 -15.011 1.00 0.00 H new ATOM 1198 N TYR A 110 77.972 -0.350 -10.191 1.00 0.00 N ATOM 1199 CA TYR A 110 78.076 -1.821 -10.456 1.00 0.00 C ATOM 1200 C TYR A 110 78.176 -2.628 -9.151 1.00 0.00 C ATOM 1201 O TYR A 110 78.558 -3.786 -9.178 1.00 0.00 O ATOM 1202 CB TYR A 110 79.360 -1.977 -11.273 1.00 0.00 C ATOM 1203 CG TYR A 110 79.317 -1.277 -12.610 1.00 0.00 C ATOM 1204 CD1 TYR A 110 78.398 -1.712 -13.615 1.00 0.00 C ATOM 1205 CD2 TYR A 110 80.195 -0.179 -12.872 1.00 0.00 C ATOM 1206 CE1 TYR A 110 78.357 -1.050 -14.881 1.00 0.00 C ATOM 1207 CE2 TYR A 110 80.153 0.483 -14.139 1.00 0.00 C ATOM 1208 CZ TYR A 110 79.233 0.048 -15.142 1.00 0.00 C ATOM 1209 OH TYR A 110 79.193 0.687 -16.364 1.00 0.00 O ATOM 0 H TYR A 110 78.858 0.109 -9.981 1.00 0.00 H new ATOM 0 HA TYR A 110 77.194 -2.196 -10.975 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.198 -1.586 -10.695 1.00 0.00 H new ATOM 0 HB3 TYR A 110 79.551 -3.038 -11.434 1.00 0.00 H new ATOM 0 HD1 TYR A 110 77.735 -2.541 -13.418 1.00 0.00 H new ATOM 0 HD2 TYR A 110 80.890 0.150 -12.113 1.00 0.00 H new ATOM 0 HE1 TYR A 110 77.664 -1.380 -15.641 1.00 0.00 H new ATOM 0 HE2 TYR A 110 80.817 1.312 -14.338 1.00 0.00 H new ATOM 0 HH TYR A 110 79.852 1.412 -16.376 1.00 0.00 H new ATOM 1219 N LEU A 111 77.839 -2.037 -8.022 1.00 0.00 N ATOM 1220 CA LEU A 111 78.008 -2.738 -6.709 1.00 0.00 C ATOM 1221 C LEU A 111 76.641 -3.037 -6.086 1.00 0.00 C ATOM 1222 O LEU A 111 75.940 -2.136 -5.660 1.00 0.00 O ATOM 1223 CB LEU A 111 78.791 -1.753 -5.837 1.00 0.00 C ATOM 1224 CG LEU A 111 79.221 -2.445 -4.541 1.00 0.00 C ATOM 1225 CD1 LEU A 111 80.402 -3.373 -4.825 1.00 0.00 C ATOM 1226 CD2 LEU A 111 79.638 -1.390 -3.515 1.00 0.00 C ATOM 0 H LEU A 111 77.453 -1.095 -7.958 1.00 0.00 H new ATOM 0 HA LEU A 111 78.523 -3.693 -6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 111 79.667 -1.391 -6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 111 78.175 -0.883 -5.610 1.00 0.00 H new ATOM 0 HG LEU A 111 78.388 -3.028 -4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 111 80.708 -3.866 -3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 111 80.106 -4.125 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 111 81.235 -2.791 -5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 111 79.944 -1.882 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 111 80.471 -0.808 -3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 111 78.796 -0.728 -3.311 1.00 0.00 H new ATOM 1238 N GLN A 112 76.266 -4.297 -6.037 1.00 0.00 N ATOM 1239 CA GLN A 112 75.000 -4.695 -5.347 1.00 0.00 C ATOM 1240 C GLN A 112 75.305 -5.165 -3.909 1.00 0.00 C ATOM 1241 O GLN A 112 76.057 -6.107 -3.745 1.00 0.00 O ATOM 1242 CB GLN A 112 74.450 -5.859 -6.175 1.00 0.00 C ATOM 1243 CG GLN A 112 72.942 -5.984 -5.943 1.00 0.00 C ATOM 1244 CD GLN A 112 72.312 -6.771 -7.093 1.00 0.00 C ATOM 1245 OE1 GLN A 112 72.583 -7.944 -7.262 1.00 0.00 O ATOM 1246 NE2 GLN A 112 71.476 -6.171 -7.896 1.00 0.00 N ATOM 0 H GLN A 112 76.789 -5.069 -6.450 1.00 0.00 H new ATOM 0 HA GLN A 112 74.292 -3.869 -5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 112 74.653 -5.694 -7.233 1.00 0.00 H new ATOM 0 HB3 GLN A 112 74.950 -6.786 -5.895 1.00 0.00 H new ATOM 0 HG2 GLN A 112 72.750 -6.487 -4.996 1.00 0.00 H new ATOM 0 HG3 GLN A 112 72.491 -4.994 -5.875 1.00 0.00 H new ATOM 0 HE21 GLN A 112 71.249 -5.187 -7.753 1.00 0.00 H new ATOM 0 HE22 GLN A 112 71.050 -6.686 -8.666 1.00 0.00 H new ATOM 1255 N PRO A 113 74.725 -4.511 -2.907 1.00 0.00 N ATOM 1256 CA PRO A 113 74.863 -5.011 -1.508 1.00 0.00 C ATOM 1257 C PRO A 113 74.030 -6.282 -1.313 1.00 0.00 C ATOM 1258 O PRO A 113 72.910 -6.371 -1.786 1.00 0.00 O ATOM 1259 CB PRO A 113 74.321 -3.866 -0.652 1.00 0.00 C ATOM 1260 CG PRO A 113 73.397 -3.113 -1.552 1.00 0.00 C ATOM 1261 CD PRO A 113 73.919 -3.274 -2.954 1.00 0.00 C ATOM 0 HA PRO A 113 75.888 -5.274 -1.249 1.00 0.00 H new ATOM 0 HB2 PRO A 113 73.796 -4.244 0.225 1.00 0.00 H new ATOM 0 HB3 PRO A 113 75.127 -3.228 -0.291 1.00 0.00 H new ATOM 0 HG2 PRO A 113 72.381 -3.500 -1.472 1.00 0.00 H new ATOM 0 HG3 PRO A 113 73.360 -2.060 -1.273 1.00 0.00 H new ATOM 0 HD2 PRO A 113 73.105 -3.358 -3.674 1.00 0.00 H new ATOM 0 HD3 PRO A 113 74.523 -2.418 -3.254 1.00 0.00 H new ATOM 1269 N THR A 114 74.576 -7.258 -0.622 1.00 0.00 N ATOM 1270 CA THR A 114 73.824 -8.519 -0.342 1.00 0.00 C ATOM 1271 C THR A 114 74.081 -8.980 1.096 1.00 0.00 C ATOM 1272 O THR A 114 75.139 -8.730 1.648 1.00 0.00 O ATOM 1273 CB THR A 114 74.369 -9.541 -1.342 1.00 0.00 C ATOM 1274 OG1 THR A 114 75.787 -9.578 -1.252 1.00 0.00 O ATOM 1275 CG2 THR A 114 73.956 -9.145 -2.760 1.00 0.00 C ATOM 0 H THR A 114 75.520 -7.231 -0.238 1.00 0.00 H new ATOM 0 HA THR A 114 72.747 -8.388 -0.445 1.00 0.00 H new ATOM 0 HB THR A 114 73.963 -10.526 -1.112 1.00 0.00 H new ATOM 0 HG1 THR A 114 76.138 -10.233 -1.890 1.00 0.00 H new ATOM 0 HG21 THR A 114 74.346 -9.875 -3.470 1.00 0.00 H new ATOM 0 HG22 THR A 114 72.868 -9.118 -2.828 1.00 0.00 H new ATOM 0 HG23 THR A 114 74.359 -8.160 -2.995 1.00 0.00 H new ATOM 1283 N LEU A 115 73.118 -9.646 1.697 1.00 0.00 N ATOM 1284 CA LEU A 115 73.290 -10.139 3.104 1.00 0.00 C ATOM 1285 C LEU A 115 74.291 -11.310 3.133 1.00 0.00 C ATOM 1286 O LEU A 115 74.343 -12.071 2.184 1.00 0.00 O ATOM 1287 CB LEU A 115 71.905 -10.613 3.557 1.00 0.00 C ATOM 1288 CG LEU A 115 71.098 -9.419 4.073 1.00 0.00 C ATOM 1289 CD1 LEU A 115 69.607 -9.755 4.032 1.00 0.00 C ATOM 1290 CD2 LEU A 115 71.512 -9.110 5.513 1.00 0.00 C ATOM 0 H LEU A 115 72.218 -9.869 1.271 1.00 0.00 H new ATOM 0 HA LEU A 115 73.678 -9.359 3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 115 71.382 -11.087 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 115 72.005 -11.364 4.341 1.00 0.00 H new ATOM 0 HG LEU A 115 71.291 -8.550 3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 115 69.032 -8.905 4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 115 69.312 -9.976 3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 115 69.412 -10.624 4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 115 70.938 -8.260 5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 115 71.318 -9.979 6.142 1.00 0.00 H new ATOM 0 HD23 LEU A 115 72.575 -8.871 5.543 1.00 0.00 H new