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= -5.01 K(o=-4.3,f=-9!) USER MOD Set 1.2: A 52 THR OG1 : rot -53:sc= 0.692 USER MOD Set 2.1: A 41 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 75 SER OG : rot 180:sc= -0.983 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 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 55 THR OG1 : rot 165:sc= 0.698 USER MOD Single : A 56 ASN : amide:sc= 0.476 K(o=0.48,f=-5.9!) USER MOD Single : A 58 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-3.7!) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 71 THR OG1 : rot 43:sc= 0.178 USER MOD Single : A 72 THR OG1 : rot 41:sc= 0.394 USER MOD Single : A 78 MET CE :methyl -107:sc= -0.922 (180deg=-4.37!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -110:sc= -0.642 USER MOD Single : A 101 CYS SG : rot 28:sc= 0.14 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.897 USER MOD Single : A 105 ASN : amide:sc= -0.748 K(o=-0.75,f=-1.9) USER MOD Single : A 108 ASN : amide:sc= -2.38 K(o=-2.4,f=-10!) USER MOD Single : A 109 GLN : amide:sc= -1.73! C(o=-1.7!,f=-3.4!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc=-0.00392 K(o=-0.0039,f=-0.56) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 84 N PRO A 34 86.364 18.701 -4.859 1.00 0.00 N ATOM 85 CA PRO A 34 85.644 17.417 -5.169 1.00 0.00 C ATOM 86 C PRO A 34 86.236 16.728 -6.411 1.00 0.00 C ATOM 87 O PRO A 34 86.619 17.387 -7.361 1.00 0.00 O ATOM 88 CB PRO A 34 84.211 17.885 -5.444 1.00 0.00 C ATOM 89 CG PRO A 34 84.100 19.161 -4.687 1.00 0.00 C ATOM 90 CD PRO A 34 85.420 19.842 -4.877 1.00 0.00 C ATOM 0 HA PRO A 34 85.718 16.685 -4.365 1.00 0.00 H new ATOM 0 HB2 PRO A 34 84.038 18.036 -6.509 1.00 0.00 H new ATOM 0 HB3 PRO A 34 83.479 17.153 -5.103 1.00 0.00 H new ATOM 0 HG2 PRO A 34 83.282 19.774 -5.065 1.00 0.00 H new ATOM 0 HG3 PRO A 34 83.899 18.977 -3.632 1.00 0.00 H new ATOM 0 HD2 PRO A 34 85.463 20.392 -5.817 1.00 0.00 H new ATOM 0 HD3 PRO A 34 85.629 20.556 -4.080 1.00 0.00 H new ATOM 98 N PHE A 35 86.309 15.414 -6.398 1.00 0.00 N ATOM 99 CA PHE A 35 86.791 14.659 -7.600 1.00 0.00 C ATOM 100 C PHE A 35 86.257 13.214 -7.591 1.00 0.00 C ATOM 101 O PHE A 35 86.999 12.267 -7.797 1.00 0.00 O ATOM 102 CB PHE A 35 88.328 14.706 -7.515 1.00 0.00 C ATOM 103 CG PHE A 35 88.935 13.925 -6.364 1.00 0.00 C ATOM 104 CD1 PHE A 35 88.944 14.475 -5.045 1.00 0.00 C ATOM 105 CD2 PHE A 35 89.503 12.634 -6.600 1.00 0.00 C ATOM 106 CE1 PHE A 35 89.520 13.739 -3.965 1.00 0.00 C ATOM 107 CE2 PHE A 35 90.079 11.895 -5.519 1.00 0.00 C ATOM 108 CZ PHE A 35 90.086 12.449 -4.202 1.00 0.00 C ATOM 0 H PHE A 35 86.053 14.831 -5.601 1.00 0.00 H new ATOM 0 HA PHE A 35 86.434 15.096 -8.533 1.00 0.00 H new ATOM 0 HB2 PHE A 35 88.740 14.324 -8.449 1.00 0.00 H new ATOM 0 HB3 PHE A 35 88.640 15.747 -7.431 1.00 0.00 H new ATOM 0 HD1 PHE A 35 88.514 15.449 -4.864 1.00 0.00 H new ATOM 0 HD2 PHE A 35 89.497 12.216 -7.596 1.00 0.00 H new ATOM 0 HE1 PHE A 35 89.528 14.158 -2.969 1.00 0.00 H new ATOM 0 HE2 PHE A 35 90.508 10.920 -5.698 1.00 0.00 H new ATOM 0 HZ PHE A 35 90.520 11.892 -3.385 1.00 0.00 H new ATOM 118 N LEU A 36 84.974 13.051 -7.361 1.00 0.00 N ATOM 119 CA LEU A 36 84.388 11.686 -7.186 1.00 0.00 C ATOM 120 C LEU A 36 82.872 11.726 -7.393 1.00 0.00 C ATOM 121 O LEU A 36 82.161 12.369 -6.640 1.00 0.00 O ATOM 122 CB LEU A 36 84.720 11.298 -5.745 1.00 0.00 C ATOM 123 CG LEU A 36 84.426 9.811 -5.531 1.00 0.00 C ATOM 124 CD1 LEU A 36 85.484 8.972 -6.251 1.00 0.00 C ATOM 125 CD2 LEU A 36 84.462 9.499 -4.033 1.00 0.00 C ATOM 0 H LEU A 36 84.303 13.815 -7.287 1.00 0.00 H new ATOM 0 HA LEU A 36 84.786 10.971 -7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 36 85.769 11.505 -5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.131 11.899 -5.052 1.00 0.00 H new ATOM 0 HG LEU A 36 83.441 9.573 -5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 36 85.274 7.913 -6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 36 85.462 9.196 -7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 36 86.470 9.208 -5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 36 84.253 8.441 -3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 36 85.449 9.737 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 36 83.710 10.097 -3.519 1.00 0.00 H new ATOM 137 N LYS A 37 82.385 11.048 -8.408 1.00 0.00 N ATOM 138 CA LYS A 37 80.911 10.973 -8.647 1.00 0.00 C ATOM 139 C LYS A 37 80.356 9.646 -8.119 1.00 0.00 C ATOM 140 O LYS A 37 80.920 8.595 -8.365 1.00 0.00 O ATOM 141 CB LYS A 37 80.758 11.045 -10.168 1.00 0.00 C ATOM 142 CG LYS A 37 79.292 11.292 -10.524 1.00 0.00 C ATOM 143 CD LYS A 37 79.086 11.068 -12.025 1.00 0.00 C ATOM 144 CE LYS A 37 79.709 12.227 -12.804 1.00 0.00 C ATOM 145 NZ LYS A 37 79.290 12.009 -14.217 1.00 0.00 N ATOM 0 H LYS A 37 82.954 10.540 -9.085 1.00 0.00 H new ATOM 0 HA LYS A 37 80.368 11.770 -8.139 1.00 0.00 H new ATOM 0 HB2 LYS A 37 81.380 11.845 -10.569 1.00 0.00 H new ATOM 0 HB3 LYS A 37 81.102 10.116 -10.623 1.00 0.00 H new ATOM 0 HG2 LYS A 37 78.650 10.620 -9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 37 79.008 12.309 -10.255 1.00 0.00 H new ATOM 0 HD2 LYS A 37 79.541 10.125 -12.329 1.00 0.00 H new ATOM 0 HD3 LYS A 37 78.022 10.995 -12.250 1.00 0.00 H new ATOM 0 HE2 LYS A 37 79.356 13.188 -12.431 1.00 0.00 H new ATOM 0 HE3 LYS A 37 80.795 12.228 -12.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 79.679 12.765 -14.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 79.646 11.089 -14.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 78.252 12.020 -14.277 1.00 0.00 H new ATOM 159 N CYS A 38 79.257 9.697 -7.398 1.00 0.00 N ATOM 160 CA CYS A 38 78.647 8.449 -6.829 1.00 0.00 C ATOM 161 C CYS A 38 77.219 8.294 -7.360 1.00 0.00 C ATOM 162 O CYS A 38 76.499 9.270 -7.479 1.00 0.00 O ATOM 163 CB CYS A 38 78.605 8.636 -5.303 1.00 0.00 C ATOM 164 SG CYS A 38 80.258 8.957 -4.619 1.00 0.00 S ATOM 0 H CYS A 38 78.753 10.556 -7.178 1.00 0.00 H new ATOM 0 HA CYS A 38 79.221 7.565 -7.106 1.00 0.00 H new ATOM 0 HB2 CYS A 38 77.942 9.465 -5.056 1.00 0.00 H new ATOM 0 HB3 CYS A 38 78.186 7.743 -4.838 1.00 0.00 H new ATOM 169 N TYR A 39 76.816 7.085 -7.680 1.00 0.00 N ATOM 170 CA TYR A 39 75.413 6.850 -8.158 1.00 0.00 C ATOM 171 C TYR A 39 74.462 6.739 -6.962 1.00 0.00 C ATOM 172 O TYR A 39 74.846 6.274 -5.903 1.00 0.00 O ATOM 173 CB TYR A 39 75.453 5.530 -8.933 1.00 0.00 C ATOM 174 CG TYR A 39 74.149 5.194 -9.619 1.00 0.00 C ATOM 175 CD1 TYR A 39 73.903 5.649 -10.951 1.00 0.00 C ATOM 176 CD2 TYR A 39 73.159 4.428 -8.931 1.00 0.00 C ATOM 177 CE1 TYR A 39 72.668 5.334 -11.597 1.00 0.00 C ATOM 178 CE2 TYR A 39 71.923 4.113 -9.576 1.00 0.00 C ATOM 179 CZ TYR A 39 71.678 4.566 -10.910 1.00 0.00 C ATOM 180 OH TYR A 39 70.485 4.262 -11.533 1.00 0.00 O ATOM 0 H TYR A 39 77.399 6.250 -7.631 1.00 0.00 H new ATOM 0 HA TYR A 39 75.055 7.669 -8.782 1.00 0.00 H new ATOM 0 HB2 TYR A 39 76.245 5.580 -9.680 1.00 0.00 H new ATOM 0 HB3 TYR A 39 75.712 4.723 -8.248 1.00 0.00 H new ATOM 0 HD1 TYR A 39 74.651 6.231 -11.470 1.00 0.00 H new ATOM 0 HD2 TYR A 39 73.344 4.087 -7.923 1.00 0.00 H new ATOM 0 HE1 TYR A 39 72.483 5.676 -12.604 1.00 0.00 H new ATOM 0 HE2 TYR A 39 71.175 3.533 -9.056 1.00 0.00 H new ATOM 0 HH TYR A 39 69.925 3.733 -10.927 1.00 0.00 H new ATOM 190 N CYS A 40 73.228 7.164 -7.130 1.00 0.00 N ATOM 191 CA CYS A 40 72.234 7.111 -6.007 1.00 0.00 C ATOM 192 C CYS A 40 71.067 6.178 -6.363 1.00 0.00 C ATOM 193 O CYS A 40 70.564 6.204 -7.472 1.00 0.00 O ATOM 194 CB CYS A 40 71.756 8.563 -5.793 1.00 0.00 C ATOM 195 SG CYS A 40 70.962 9.244 -7.282 1.00 0.00 S ATOM 0 H CYS A 40 72.866 7.548 -8.003 1.00 0.00 H new ATOM 0 HA CYS A 40 72.676 6.711 -5.094 1.00 0.00 H new ATOM 0 HB2 CYS A 40 71.053 8.595 -4.960 1.00 0.00 H new ATOM 0 HB3 CYS A 40 72.606 9.188 -5.517 1.00 0.00 H new ATOM 200 N SER A 41 70.645 5.362 -5.423 1.00 0.00 N ATOM 201 CA SER A 41 69.471 4.464 -5.651 1.00 0.00 C ATOM 202 C SER A 41 68.399 4.724 -4.590 1.00 0.00 C ATOM 203 O SER A 41 68.707 4.912 -3.427 1.00 0.00 O ATOM 204 CB SER A 41 70.026 3.045 -5.515 1.00 0.00 C ATOM 205 OG SER A 41 71.067 2.855 -6.463 1.00 0.00 O ATOM 0 H SER A 41 71.070 5.281 -4.499 1.00 0.00 H new ATOM 0 HA SER A 41 69.006 4.628 -6.623 1.00 0.00 H new ATOM 0 HB2 SER A 41 70.404 2.885 -4.505 1.00 0.00 H new ATOM 0 HB3 SER A 41 69.233 2.315 -5.677 1.00 0.00 H new ATOM 0 HG SER A 41 71.426 1.947 -6.377 1.00 0.00 H new ATOM 211 N GLY A 42 67.146 4.734 -4.991 1.00 0.00 N ATOM 212 CA GLY A 42 66.032 4.987 -4.027 1.00 0.00 C ATOM 213 C GLY A 42 65.987 6.475 -3.672 1.00 0.00 C ATOM 214 O GLY A 42 65.049 7.169 -4.024 1.00 0.00 O ATOM 0 H GLY A 42 66.849 4.576 -5.954 1.00 0.00 H new ATOM 0 HA2 GLY A 42 65.082 4.678 -4.464 1.00 0.00 H new ATOM 0 HA3 GLY A 42 66.176 4.392 -3.125 1.00 0.00 H new ATOM 218 N HIS A 43 66.995 6.961 -2.980 1.00 0.00 N ATOM 219 CA HIS A 43 67.007 8.391 -2.537 1.00 0.00 C ATOM 220 C HIS A 43 68.136 9.160 -3.231 1.00 0.00 C ATOM 221 O HIS A 43 69.283 8.747 -3.202 1.00 0.00 O ATOM 222 CB HIS A 43 67.249 8.332 -1.029 1.00 0.00 C ATOM 223 CG HIS A 43 66.142 7.653 -0.269 1.00 0.00 C ATOM 224 ND1 HIS A 43 64.886 8.221 -0.125 1.00 0.00 N ATOM 225 CD2 HIS A 43 66.088 6.451 0.393 1.00 0.00 C ATOM 226 CE1 HIS A 43 64.137 7.370 0.598 1.00 0.00 C ATOM 227 NE2 HIS A 43 64.819 6.275 0.941 1.00 0.00 N ATOM 0 H HIS A 43 67.815 6.421 -2.703 1.00 0.00 H new ATOM 0 HA HIS A 43 66.079 8.906 -2.786 1.00 0.00 H new ATOM 0 HB2 HIS A 43 68.185 7.806 -0.840 1.00 0.00 H new ATOM 0 HB3 HIS A 43 67.371 9.346 -0.649 1.00 0.00 H new ATOM 0 HD2 HIS A 43 66.905 5.749 0.476 1.00 0.00 H new ATOM 0 HE1 HIS A 43 63.107 7.551 0.869 1.00 0.00 H new ATOM 0 HE2 HIS A 43 64.484 5.481 1.486 1.00 0.00 H new ATOM 235 N CYS A 44 67.810 10.272 -3.849 1.00 0.00 N ATOM 236 CA CYS A 44 68.853 11.155 -4.460 1.00 0.00 C ATOM 237 C CYS A 44 68.513 12.628 -4.157 1.00 0.00 C ATOM 238 O CYS A 44 67.359 13.002 -4.266 1.00 0.00 O ATOM 239 CB CYS A 44 68.770 10.873 -5.967 1.00 0.00 C ATOM 240 SG CYS A 44 70.393 11.106 -6.738 1.00 0.00 S ATOM 0 H CYS A 44 66.853 10.608 -3.956 1.00 0.00 H new ATOM 0 HA CYS A 44 69.854 10.968 -4.072 1.00 0.00 H new ATOM 0 HB2 CYS A 44 68.423 9.854 -6.135 1.00 0.00 H new ATOM 0 HB3 CYS A 44 68.041 11.538 -6.429 1.00 0.00 H new ATOM 245 N PRO A 45 69.505 13.434 -3.788 1.00 0.00 N ATOM 246 CA PRO A 45 69.220 14.826 -3.320 1.00 0.00 C ATOM 247 C PRO A 45 68.528 15.650 -4.419 1.00 0.00 C ATOM 248 O PRO A 45 68.718 15.404 -5.597 1.00 0.00 O ATOM 249 CB PRO A 45 70.600 15.405 -2.984 1.00 0.00 C ATOM 250 CG PRO A 45 71.586 14.515 -3.666 1.00 0.00 C ATOM 251 CD PRO A 45 70.955 13.154 -3.765 1.00 0.00 C ATOM 0 HA PRO A 45 68.543 14.844 -2.466 1.00 0.00 H new ATOM 0 HB2 PRO A 45 70.690 16.433 -3.336 1.00 0.00 H new ATOM 0 HB3 PRO A 45 70.766 15.422 -1.907 1.00 0.00 H new ATOM 0 HG2 PRO A 45 71.832 14.899 -4.656 1.00 0.00 H new ATOM 0 HG3 PRO A 45 72.518 14.468 -3.102 1.00 0.00 H new ATOM 0 HD2 PRO A 45 71.275 12.630 -4.666 1.00 0.00 H new ATOM 0 HD3 PRO A 45 71.227 12.525 -2.917 1.00 0.00 H new ATOM 259 N ASP A 46 67.734 16.625 -4.030 1.00 0.00 N ATOM 260 CA ASP A 46 66.883 17.376 -5.019 1.00 0.00 C ATOM 261 C ASP A 46 67.742 18.073 -6.085 1.00 0.00 C ATOM 262 O ASP A 46 67.295 18.280 -7.199 1.00 0.00 O ATOM 263 CB ASP A 46 66.112 18.421 -4.202 1.00 0.00 C ATOM 264 CG ASP A 46 65.140 17.715 -3.253 1.00 0.00 C ATOM 265 OD1 ASP A 46 64.472 16.796 -3.695 1.00 0.00 O ATOM 266 OD2 ASP A 46 65.081 18.108 -2.099 1.00 0.00 O ATOM 0 H ASP A 46 67.638 16.936 -3.063 1.00 0.00 H new ATOM 0 HA ASP A 46 66.217 16.695 -5.549 1.00 0.00 H new ATOM 0 HB2 ASP A 46 66.807 19.038 -3.633 1.00 0.00 H new ATOM 0 HB3 ASP A 46 65.565 19.088 -4.869 1.00 0.00 H new ATOM 271 N ASP A 47 68.961 18.429 -5.746 1.00 0.00 N ATOM 272 CA ASP A 47 69.845 19.158 -6.715 1.00 0.00 C ATOM 273 C ASP A 47 70.721 18.188 -7.533 1.00 0.00 C ATOM 274 O ASP A 47 71.670 18.610 -8.171 1.00 0.00 O ATOM 275 CB ASP A 47 70.710 20.103 -5.857 1.00 0.00 C ATOM 276 CG ASP A 47 71.580 19.315 -4.865 1.00 0.00 C ATOM 277 OD1 ASP A 47 72.652 18.884 -5.256 1.00 0.00 O ATOM 278 OD2 ASP A 47 71.157 19.161 -3.730 1.00 0.00 O ATOM 0 H ASP A 47 69.383 18.245 -4.836 1.00 0.00 H new ATOM 0 HA ASP A 47 69.255 19.707 -7.449 1.00 0.00 H new ATOM 0 HB2 ASP A 47 71.347 20.705 -6.505 1.00 0.00 H new ATOM 0 HB3 ASP A 47 70.067 20.794 -5.311 1.00 0.00 H new ATOM 283 N ALA A 48 70.412 16.905 -7.520 1.00 0.00 N ATOM 284 CA ALA A 48 71.313 15.895 -8.164 1.00 0.00 C ATOM 285 C ALA A 48 71.111 15.893 -9.681 1.00 0.00 C ATOM 286 O ALA A 48 70.109 16.381 -10.178 1.00 0.00 O ATOM 287 CB ALA A 48 70.917 14.540 -7.569 1.00 0.00 C ATOM 0 H ALA A 48 69.572 16.518 -7.089 1.00 0.00 H new ATOM 0 HA ALA A 48 72.364 16.120 -7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 48 71.541 13.757 -8.000 1.00 0.00 H new ATOM 0 HB2 ALA A 48 71.058 14.562 -6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 48 69.870 14.336 -7.794 1.00 0.00 H new ATOM 293 N ILE A 49 72.057 15.343 -10.411 1.00 0.00 N ATOM 294 CA ILE A 49 71.965 15.324 -11.908 1.00 0.00 C ATOM 295 C ILE A 49 72.102 13.876 -12.394 1.00 0.00 C ATOM 296 O ILE A 49 72.918 13.135 -11.888 1.00 0.00 O ATOM 297 CB ILE A 49 73.131 16.198 -12.414 1.00 0.00 C ATOM 298 CG1 ILE A 49 73.000 17.628 -11.868 1.00 0.00 C ATOM 299 CG2 ILE A 49 73.117 16.261 -13.947 1.00 0.00 C ATOM 300 CD1 ILE A 49 74.316 18.380 -12.078 1.00 0.00 C ATOM 0 H ILE A 49 72.895 14.903 -10.030 1.00 0.00 H new ATOM 0 HA ILE A 49 71.014 15.707 -12.278 1.00 0.00 H new ATOM 0 HB ILE A 49 74.064 15.753 -12.068 1.00 0.00 H new ATOM 0 HG12 ILE A 49 72.187 18.148 -12.375 1.00 0.00 H new ATOM 0 HG13 ILE A 49 72.750 17.602 -10.807 1.00 0.00 H new ATOM 0 HG21 ILE A 49 73.944 16.881 -14.293 1.00 0.00 H new ATOM 0 HG22 ILE A 49 73.222 15.255 -14.353 1.00 0.00 H new ATOM 0 HG23 ILE A 49 72.175 16.692 -14.285 1.00 0.00 H new ATOM 0 HD11 ILE A 49 74.221 19.394 -11.690 1.00 0.00 H new ATOM 0 HD12 ILE A 49 75.118 17.863 -11.551 1.00 0.00 H new ATOM 0 HD13 ILE A 49 74.547 18.419 -13.143 1.00 0.00 H new ATOM 312 N ASN A 50 71.295 13.483 -13.366 1.00 0.00 N ATOM 313 CA ASN A 50 71.288 12.075 -13.917 1.00 0.00 C ATOM 314 C ASN A 50 71.475 10.992 -12.831 1.00 0.00 C ATOM 315 O ASN A 50 72.213 10.040 -13.011 1.00 0.00 O ATOM 316 CB ASN A 50 72.401 12.028 -14.981 1.00 0.00 C ATOM 317 CG ASN A 50 73.789 12.221 -14.359 1.00 0.00 C ATOM 318 OD1 ASN A 50 74.226 13.336 -14.148 1.00 0.00 O ATOM 319 ND2 ASN A 50 74.508 11.173 -14.062 1.00 0.00 N ATOM 0 H ASN A 50 70.619 14.102 -13.814 1.00 0.00 H new ATOM 0 HA ASN A 50 70.314 11.846 -14.349 1.00 0.00 H new ATOM 0 HB2 ASN A 50 72.366 11.071 -15.502 1.00 0.00 H new ATOM 0 HB3 ASN A 50 72.225 12.804 -15.726 1.00 0.00 H new ATOM 0 HD21 ASN A 50 75.435 11.290 -13.653 1.00 0.00 H new ATOM 0 HD22 ASN A 50 74.143 10.237 -14.238 1.00 0.00 H new ATOM 326 N ASN A 51 70.802 11.148 -11.706 1.00 0.00 N ATOM 327 CA ASN A 51 70.916 10.179 -10.557 1.00 0.00 C ATOM 328 C ASN A 51 72.380 9.998 -10.115 1.00 0.00 C ATOM 329 O ASN A 51 72.820 8.895 -9.836 1.00 0.00 O ATOM 330 CB ASN A 51 70.319 8.852 -11.053 1.00 0.00 C ATOM 331 CG ASN A 51 68.828 9.034 -11.342 1.00 0.00 C ATOM 332 OD1 ASN A 51 68.139 9.736 -10.627 1.00 0.00 O ATOM 333 ND2 ASN A 51 68.295 8.428 -12.368 1.00 0.00 N ATOM 0 H ASN A 51 70.164 11.925 -11.533 1.00 0.00 H new ATOM 0 HA ASN A 51 70.382 10.550 -9.682 1.00 0.00 H new ATOM 0 HB2 ASN A 51 70.837 8.524 -11.954 1.00 0.00 H new ATOM 0 HB3 ASN A 51 70.462 8.075 -10.302 1.00 0.00 H new ATOM 0 HD21 ASN A 51 67.302 8.544 -12.569 1.00 0.00 H new ATOM 0 HD22 ASN A 51 68.872 7.839 -12.969 1.00 0.00 H new ATOM 340 N THR A 52 73.127 11.080 -10.053 1.00 0.00 N ATOM 341 CA THR A 52 74.519 11.023 -9.499 1.00 0.00 C ATOM 342 C THR A 52 74.803 12.263 -8.646 1.00 0.00 C ATOM 343 O THR A 52 74.125 13.269 -8.764 1.00 0.00 O ATOM 344 CB THR A 52 75.456 10.989 -10.713 1.00 0.00 C ATOM 345 OG1 THR A 52 75.229 12.133 -11.527 1.00 0.00 O ATOM 346 CG2 THR A 52 75.213 9.715 -11.528 1.00 0.00 C ATOM 0 H THR A 52 72.828 12.004 -10.365 1.00 0.00 H new ATOM 0 HA THR A 52 74.659 10.151 -8.861 1.00 0.00 H new ATOM 0 HB THR A 52 76.489 10.995 -10.365 1.00 0.00 H new ATOM 0 HG1 THR A 52 74.274 12.200 -11.739 1.00 0.00 H new ATOM 0 HG21 THR A 52 75.883 9.700 -12.388 1.00 0.00 H new ATOM 0 HG22 THR A 52 75.404 8.842 -10.904 1.00 0.00 H new ATOM 0 HG23 THR A 52 74.179 9.695 -11.873 1.00 0.00 H new ATOM 354 N CYS A 53 75.805 12.186 -7.797 1.00 0.00 N ATOM 355 CA CYS A 53 76.155 13.340 -6.909 1.00 0.00 C ATOM 356 C CYS A 53 77.677 13.485 -6.787 1.00 0.00 C ATOM 357 O CYS A 53 78.420 12.583 -7.129 1.00 0.00 O ATOM 358 CB CYS A 53 75.504 13.043 -5.541 1.00 0.00 C ATOM 359 SG CYS A 53 76.093 11.470 -4.841 1.00 0.00 S ATOM 0 H CYS A 53 76.399 11.365 -7.682 1.00 0.00 H new ATOM 0 HA CYS A 53 75.789 14.283 -7.314 1.00 0.00 H new ATOM 0 HB2 CYS A 53 75.726 13.855 -4.849 1.00 0.00 H new ATOM 0 HB3 CYS A 53 74.420 13.008 -5.654 1.00 0.00 H new ATOM 364 N ILE A 54 78.131 14.616 -6.295 1.00 0.00 N ATOM 365 CA ILE A 54 79.599 14.914 -6.255 1.00 0.00 C ATOM 366 C ILE A 54 80.055 14.991 -4.790 1.00 0.00 C ATOM 367 O ILE A 54 79.425 15.647 -3.979 1.00 0.00 O ATOM 368 CB ILE A 54 79.755 16.277 -6.967 1.00 0.00 C ATOM 369 CG1 ILE A 54 79.262 16.177 -8.418 1.00 0.00 C ATOM 370 CG2 ILE A 54 81.226 16.712 -6.986 1.00 0.00 C ATOM 371 CD1 ILE A 54 79.078 17.582 -8.996 1.00 0.00 C ATOM 0 H ILE A 54 77.538 15.354 -5.915 1.00 0.00 H new ATOM 0 HA ILE A 54 80.206 14.150 -6.741 1.00 0.00 H new ATOM 0 HB ILE A 54 79.162 17.009 -6.419 1.00 0.00 H new ATOM 0 HG12 ILE A 54 79.979 15.617 -9.018 1.00 0.00 H new ATOM 0 HG13 ILE A 54 78.319 15.631 -8.456 1.00 0.00 H new ATOM 0 HG21 ILE A 54 81.315 17.674 -7.492 1.00 0.00 H new ATOM 0 HG22 ILE A 54 81.591 16.805 -5.963 1.00 0.00 H new ATOM 0 HG23 ILE A 54 81.819 15.967 -7.517 1.00 0.00 H new ATOM 0 HD11 ILE A 54 78.728 17.509 -10.026 1.00 0.00 H new ATOM 0 HD12 ILE A 54 78.345 18.127 -8.401 1.00 0.00 H new ATOM 0 HD13 ILE A 54 80.030 18.112 -8.973 1.00 0.00 H new ATOM 383 N THR A 55 81.143 14.329 -4.458 1.00 0.00 N ATOM 384 CA THR A 55 81.647 14.338 -3.045 1.00 0.00 C ATOM 385 C THR A 55 83.181 14.307 -3.005 1.00 0.00 C ATOM 386 O THR A 55 83.821 13.858 -3.939 1.00 0.00 O ATOM 387 CB THR A 55 81.048 13.083 -2.384 1.00 0.00 C ATOM 388 OG1 THR A 55 81.478 13.017 -1.033 1.00 0.00 O ATOM 389 CG2 THR A 55 81.484 11.803 -3.116 1.00 0.00 C ATOM 0 H THR A 55 81.705 13.781 -5.109 1.00 0.00 H new ATOM 0 HA THR A 55 81.351 15.246 -2.520 1.00 0.00 H new ATOM 0 HB THR A 55 79.962 13.154 -2.436 1.00 0.00 H new ATOM 0 HG1 THR A 55 80.918 12.380 -0.542 1.00 0.00 H new ATOM 0 HG21 THR A 55 81.044 10.935 -2.625 1.00 0.00 H new ATOM 0 HG22 THR A 55 81.147 11.843 -4.152 1.00 0.00 H new ATOM 0 HG23 THR A 55 82.571 11.722 -3.091 1.00 0.00 H new ATOM 397 N ASN A 56 83.761 14.789 -1.930 1.00 0.00 N ATOM 398 CA ASN A 56 85.218 14.554 -1.668 1.00 0.00 C ATOM 399 C ASN A 56 85.416 13.624 -0.461 1.00 0.00 C ATOM 400 O ASN A 56 86.421 13.704 0.224 1.00 0.00 O ATOM 401 CB ASN A 56 85.826 15.947 -1.404 1.00 0.00 C ATOM 402 CG ASN A 56 85.164 16.638 -0.198 1.00 0.00 C ATOM 403 OD1 ASN A 56 84.117 16.229 0.267 1.00 0.00 O ATOM 404 ND2 ASN A 56 85.741 17.682 0.329 1.00 0.00 N ATOM 0 H ASN A 56 83.283 15.340 -1.217 1.00 0.00 H new ATOM 0 HA ASN A 56 85.703 14.063 -2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 56 86.897 15.849 -1.225 1.00 0.00 H new ATOM 0 HB3 ASN A 56 85.707 16.570 -2.291 1.00 0.00 H new ATOM 0 HD21 ASN A 56 85.314 18.152 1.128 1.00 0.00 H new ATOM 0 HD22 ASN A 56 86.619 18.029 -0.057 1.00 0.00 H new ATOM 411 N GLY A 57 84.466 12.748 -0.203 1.00 0.00 N ATOM 412 CA GLY A 57 84.641 11.707 0.856 1.00 0.00 C ATOM 413 C GLY A 57 84.696 10.326 0.197 1.00 0.00 C ATOM 414 O GLY A 57 85.742 9.890 -0.249 1.00 0.00 O ATOM 0 H GLY A 57 83.570 12.714 -0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 57 85.557 11.892 1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 57 83.816 11.752 1.567 1.00 0.00 H new ATOM 418 N HIS A 58 83.573 9.645 0.137 1.00 0.00 N ATOM 419 CA HIS A 58 83.508 8.326 -0.574 1.00 0.00 C ATOM 420 C HIS A 58 82.107 8.125 -1.152 1.00 0.00 C ATOM 421 O HIS A 58 81.205 8.900 -0.884 1.00 0.00 O ATOM 422 CB HIS A 58 83.795 7.247 0.482 1.00 0.00 C ATOM 423 CG HIS A 58 85.042 7.476 1.299 1.00 0.00 C ATOM 424 ND1 HIS A 58 86.306 7.488 0.733 1.00 0.00 N ATOM 425 CD2 HIS A 58 85.229 7.702 2.640 1.00 0.00 C ATOM 426 CE1 HIS A 58 87.191 7.714 1.721 1.00 0.00 C ATOM 427 NE2 HIS A 58 86.588 7.852 2.905 1.00 0.00 N ATOM 0 H HIS A 58 82.693 9.949 0.553 1.00 0.00 H new ATOM 0 HA HIS A 58 84.226 8.278 -1.393 1.00 0.00 H new ATOM 0 HB2 HIS A 58 82.942 7.184 1.157 1.00 0.00 H new ATOM 0 HB3 HIS A 58 83.878 6.282 -0.018 1.00 0.00 H new ATOM 0 HD2 HIS A 58 84.442 7.755 3.378 1.00 0.00 H new ATOM 0 HE1 HIS A 58 88.259 7.776 1.575 1.00 0.00 H new ATOM 0 HE2 HIS A 58 87.028 8.029 3.808 1.00 0.00 H new ATOM 435 N CYS A 59 81.924 7.093 -1.943 1.00 0.00 N ATOM 436 CA CYS A 59 80.543 6.663 -2.329 1.00 0.00 C ATOM 437 C CYS A 59 80.081 5.592 -1.342 1.00 0.00 C ATOM 438 O CYS A 59 80.859 4.730 -0.966 1.00 0.00 O ATOM 439 CB CYS A 59 80.646 6.061 -3.741 1.00 0.00 C ATOM 440 SG CYS A 59 81.298 7.262 -4.937 1.00 0.00 S ATOM 0 H CYS A 59 82.676 6.529 -2.339 1.00 0.00 H new ATOM 0 HA CYS A 59 79.835 7.492 -2.315 1.00 0.00 H new ATOM 0 HB2 CYS A 59 81.293 5.184 -3.716 1.00 0.00 H new ATOM 0 HB3 CYS A 59 79.662 5.722 -4.065 1.00 0.00 H new ATOM 445 N PHE A 60 78.835 5.638 -0.922 1.00 0.00 N ATOM 446 CA PHE A 60 78.333 4.631 0.069 1.00 0.00 C ATOM 447 C PHE A 60 77.033 3.981 -0.427 1.00 0.00 C ATOM 448 O PHE A 60 76.269 4.588 -1.158 1.00 0.00 O ATOM 449 CB PHE A 60 78.135 5.403 1.392 1.00 0.00 C ATOM 450 CG PHE A 60 76.882 6.256 1.481 1.00 0.00 C ATOM 451 CD1 PHE A 60 75.673 5.685 1.985 1.00 0.00 C ATOM 452 CD2 PHE A 60 76.903 7.622 1.059 1.00 0.00 C ATOM 453 CE1 PHE A 60 74.486 6.478 2.070 1.00 0.00 C ATOM 454 CE2 PHE A 60 75.717 8.414 1.142 1.00 0.00 C ATOM 455 CZ PHE A 60 74.508 7.842 1.648 1.00 0.00 C ATOM 0 H PHE A 60 78.147 6.328 -1.223 1.00 0.00 H new ATOM 0 HA PHE A 60 79.036 3.809 0.209 1.00 0.00 H new ATOM 0 HB2 PHE A 60 78.121 4.684 2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 60 79.001 6.046 1.548 1.00 0.00 H new ATOM 0 HD1 PHE A 60 75.656 4.653 2.302 1.00 0.00 H new ATOM 0 HD2 PHE A 60 77.816 8.055 0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 60 73.574 6.046 2.453 1.00 0.00 H new ATOM 0 HE2 PHE A 60 75.733 9.445 0.822 1.00 0.00 H new ATOM 0 HZ PHE A 60 73.612 8.441 1.711 1.00 0.00 H new ATOM 465 N ALA A 61 76.795 2.755 -0.024 1.00 0.00 N ATOM 466 CA ALA A 61 75.499 2.079 -0.329 1.00 0.00 C ATOM 467 C ALA A 61 75.190 1.062 0.770 1.00 0.00 C ATOM 468 O ALA A 61 76.080 0.398 1.270 1.00 0.00 O ATOM 469 CB ALA A 61 75.719 1.377 -1.670 1.00 0.00 C ATOM 0 H ALA A 61 77.454 2.189 0.510 1.00 0.00 H new ATOM 0 HA ALA A 61 74.661 2.774 -0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 61 74.807 0.856 -1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 61 75.974 2.116 -2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 61 76.533 0.658 -1.575 1.00 0.00 H new ATOM 475 N ILE A 62 73.937 0.944 1.144 1.00 0.00 N ATOM 476 CA ILE A 62 73.573 0.142 2.352 1.00 0.00 C ATOM 477 C ILE A 62 72.265 -0.631 2.111 1.00 0.00 C ATOM 478 O ILE A 62 71.400 -0.187 1.375 1.00 0.00 O ATOM 479 CB ILE A 62 73.442 1.171 3.494 1.00 0.00 C ATOM 480 CG1 ILE A 62 73.151 0.450 4.815 1.00 0.00 C ATOM 481 CG2 ILE A 62 72.318 2.177 3.207 1.00 0.00 C ATOM 482 CD1 ILE A 62 73.391 1.407 5.984 1.00 0.00 C ATOM 0 H ILE A 62 73.148 1.372 0.660 1.00 0.00 H new ATOM 0 HA ILE A 62 74.319 -0.614 2.594 1.00 0.00 H new ATOM 0 HB ILE A 62 74.384 1.714 3.568 1.00 0.00 H new ATOM 0 HG12 ILE A 62 72.121 0.095 4.828 1.00 0.00 H new ATOM 0 HG13 ILE A 62 73.792 -0.427 4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 62 72.249 2.890 4.029 1.00 0.00 H new ATOM 0 HG22 ILE A 62 72.535 2.710 2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 62 71.371 1.646 3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 62 73.184 0.894 6.923 1.00 0.00 H new ATOM 0 HD12 ILE A 62 74.429 1.741 5.974 1.00 0.00 H new ATOM 0 HD13 ILE A 62 72.732 2.270 5.889 1.00 0.00 H new ATOM 494 N ILE A 63 72.136 -1.783 2.732 1.00 0.00 N ATOM 495 CA ILE A 63 70.884 -2.595 2.619 1.00 0.00 C ATOM 496 C ILE A 63 70.493 -3.122 4.009 1.00 0.00 C ATOM 497 O ILE A 63 71.348 -3.446 4.813 1.00 0.00 O ATOM 498 CB ILE A 63 71.223 -3.740 1.636 1.00 0.00 C ATOM 499 CG1 ILE A 63 69.998 -4.640 1.439 1.00 0.00 C ATOM 500 CG2 ILE A 63 72.387 -4.590 2.161 1.00 0.00 C ATOM 501 CD1 ILE A 63 70.206 -5.537 0.217 1.00 0.00 C ATOM 0 H ILE A 63 72.858 -2.199 3.321 1.00 0.00 H new ATOM 0 HA ILE A 63 70.033 -2.021 2.253 1.00 0.00 H new ATOM 0 HB ILE A 63 71.513 -3.291 0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 63 69.838 -5.251 2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 63 69.105 -4.030 1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 63 72.604 -5.388 1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 63 73.270 -3.962 2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 63 72.115 -5.025 3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 63 69.333 -6.175 0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 63 70.345 -4.918 -0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 63 71.089 -6.158 0.368 1.00 0.00 H new ATOM 513 N GLU A 64 69.211 -3.214 4.278 1.00 0.00 N ATOM 514 CA GLU A 64 68.737 -3.499 5.668 1.00 0.00 C ATOM 515 C GLU A 64 67.410 -4.261 5.625 1.00 0.00 C ATOM 516 O GLU A 64 66.546 -3.960 4.822 1.00 0.00 O ATOM 517 CB GLU A 64 68.544 -2.130 6.322 1.00 0.00 C ATOM 518 CG GLU A 64 69.880 -1.625 6.869 1.00 0.00 C ATOM 519 CD GLU A 64 69.708 -0.204 7.410 1.00 0.00 C ATOM 520 OE1 GLU A 64 68.735 0.029 8.109 1.00 0.00 O ATOM 521 OE2 GLU A 64 70.551 0.626 7.116 1.00 0.00 O ATOM 0 H GLU A 64 68.469 -3.103 3.587 1.00 0.00 H new ATOM 0 HA GLU A 64 69.445 -4.115 6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 64 68.147 -1.422 5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 64 67.814 -2.201 7.128 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.234 -2.286 7.660 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.635 -1.637 6.082 1.00 0.00 H new ATOM 528 N GLU A 65 67.257 -5.239 6.489 1.00 0.00 N ATOM 529 CA GLU A 65 65.994 -6.040 6.532 1.00 0.00 C ATOM 530 C GLU A 65 65.120 -5.571 7.700 1.00 0.00 C ATOM 531 O GLU A 65 65.499 -5.693 8.852 1.00 0.00 O ATOM 532 CB GLU A 65 66.470 -7.483 6.744 1.00 0.00 C ATOM 533 CG GLU A 65 65.279 -8.455 6.695 1.00 0.00 C ATOM 534 CD GLU A 65 64.686 -8.650 8.097 1.00 0.00 C ATOM 535 OE1 GLU A 65 65.439 -8.622 9.059 1.00 0.00 O ATOM 536 OE2 GLU A 65 63.485 -8.838 8.182 1.00 0.00 O ATOM 0 H GLU A 65 67.962 -5.517 7.172 1.00 0.00 H new ATOM 0 HA GLU A 65 65.390 -5.937 5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 65 67.196 -7.749 5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 65 66.977 -7.568 7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 65 64.514 -8.069 6.021 1.00 0.00 H new ATOM 0 HG3 GLU A 65 65.602 -9.415 6.294 1.00 0.00 H new ATOM 543 N ASP A 66 63.955 -5.038 7.400 1.00 0.00 N ATOM 544 CA ASP A 66 63.075 -4.461 8.469 1.00 0.00 C ATOM 545 C ASP A 66 62.205 -5.556 9.097 1.00 0.00 C ATOM 546 O ASP A 66 62.217 -6.688 8.656 1.00 0.00 O ATOM 547 CB ASP A 66 62.208 -3.388 7.778 1.00 0.00 C ATOM 548 CG ASP A 66 61.361 -3.971 6.627 1.00 0.00 C ATOM 549 OD1 ASP A 66 61.316 -5.184 6.475 1.00 0.00 O ATOM 550 OD2 ASP A 66 60.767 -3.182 5.911 1.00 0.00 O ATOM 0 H ASP A 66 63.575 -4.978 6.455 1.00 0.00 H new ATOM 0 HA ASP A 66 63.660 -4.026 9.279 1.00 0.00 H new ATOM 0 HB2 ASP A 66 61.549 -2.927 8.514 1.00 0.00 H new ATOM 0 HB3 ASP A 66 62.852 -2.599 7.389 1.00 0.00 H new ATOM 555 N ASP A 67 61.449 -5.214 10.118 1.00 0.00 N ATOM 556 CA ASP A 67 60.657 -6.247 10.878 1.00 0.00 C ATOM 557 C ASP A 67 59.649 -6.980 9.975 1.00 0.00 C ATOM 558 O ASP A 67 59.165 -8.041 10.337 1.00 0.00 O ATOM 559 CB ASP A 67 59.915 -5.480 11.978 1.00 0.00 C ATOM 560 CG ASP A 67 60.925 -4.911 12.975 1.00 0.00 C ATOM 561 OD1 ASP A 67 61.238 -5.600 13.932 1.00 0.00 O ATOM 562 OD2 ASP A 67 61.371 -3.794 12.765 1.00 0.00 O ATOM 0 H ASP A 67 61.345 -4.259 10.461 1.00 0.00 H new ATOM 0 HA ASP A 67 61.320 -7.013 11.281 1.00 0.00 H new ATOM 0 HB2 ASP A 67 59.327 -4.674 11.540 1.00 0.00 H new ATOM 0 HB3 ASP A 67 59.217 -6.142 12.490 1.00 0.00 H new ATOM 567 N GLN A 68 59.331 -6.435 8.819 1.00 0.00 N ATOM 568 CA GLN A 68 58.386 -7.126 7.878 1.00 0.00 C ATOM 569 C GLN A 68 59.131 -8.016 6.867 1.00 0.00 C ATOM 570 O GLN A 68 58.507 -8.798 6.168 1.00 0.00 O ATOM 571 CB GLN A 68 57.647 -6.000 7.153 1.00 0.00 C ATOM 572 CG GLN A 68 56.690 -5.306 8.122 1.00 0.00 C ATOM 573 CD GLN A 68 55.983 -4.153 7.406 1.00 0.00 C ATOM 574 OE1 GLN A 68 56.581 -3.457 6.611 1.00 0.00 O ATOM 575 NE2 GLN A 68 54.723 -3.921 7.658 1.00 0.00 N ATOM 0 H GLN A 68 59.687 -5.539 8.487 1.00 0.00 H new ATOM 0 HA GLN A 68 57.710 -7.789 8.419 1.00 0.00 H new ATOM 0 HB2 GLN A 68 58.362 -5.280 6.754 1.00 0.00 H new ATOM 0 HB3 GLN A 68 57.093 -6.402 6.305 1.00 0.00 H new ATOM 0 HG2 GLN A 68 55.956 -6.019 8.498 1.00 0.00 H new ATOM 0 HG3 GLN A 68 57.239 -4.930 8.985 1.00 0.00 H new ATOM 0 HE21 GLN A 68 54.220 -4.506 8.326 1.00 0.00 H new ATOM 0 HE22 GLN A 68 54.241 -3.155 7.187 1.00 0.00 H new ATOM 584 N GLY A 69 60.443 -7.910 6.779 1.00 0.00 N ATOM 585 CA GLY A 69 61.228 -8.788 5.855 1.00 0.00 C ATOM 586 C GLY A 69 61.394 -8.129 4.475 1.00 0.00 C ATOM 587 O GLY A 69 61.650 -8.813 3.500 1.00 0.00 O ATOM 0 H GLY A 69 61.003 -7.246 7.314 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.209 -8.990 6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.724 -9.748 5.745 1.00 0.00 H new ATOM 591 N GLU A 70 61.252 -6.822 4.384 1.00 0.00 N ATOM 592 CA GLU A 70 61.576 -6.103 3.111 1.00 0.00 C ATOM 593 C GLU A 70 62.997 -5.540 3.181 1.00 0.00 C ATOM 594 O GLU A 70 63.411 -5.028 4.207 1.00 0.00 O ATOM 595 CB GLU A 70 60.554 -4.968 3.019 1.00 0.00 C ATOM 596 CG GLU A 70 59.156 -5.551 2.804 1.00 0.00 C ATOM 597 CD GLU A 70 58.148 -4.412 2.634 1.00 0.00 C ATOM 598 OE1 GLU A 70 57.807 -3.797 3.628 1.00 0.00 O ATOM 599 OE2 GLU A 70 57.736 -4.176 1.509 1.00 0.00 O ATOM 0 H GLU A 70 60.924 -6.224 5.142 1.00 0.00 H new ATOM 0 HA GLU A 70 61.530 -6.758 2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 70 60.574 -4.372 3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 70 60.811 -4.300 2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 70 59.149 -6.191 1.922 1.00 0.00 H new ATOM 0 HG3 GLU A 70 58.876 -6.175 3.653 1.00 0.00 H new ATOM 606 N THR A 71 63.737 -5.635 2.099 1.00 0.00 N ATOM 607 CA THR A 71 65.114 -5.048 2.056 1.00 0.00 C ATOM 608 C THR A 71 65.075 -3.645 1.448 1.00 0.00 C ATOM 609 O THR A 71 64.589 -3.457 0.344 1.00 0.00 O ATOM 610 CB THR A 71 65.938 -5.990 1.169 1.00 0.00 C ATOM 611 OG1 THR A 71 65.184 -6.357 0.021 1.00 0.00 O ATOM 612 CG2 THR A 71 66.308 -7.242 1.964 1.00 0.00 C ATOM 0 H THR A 71 63.442 -6.098 1.239 1.00 0.00 H new ATOM 0 HA THR A 71 65.544 -4.954 3.053 1.00 0.00 H new ATOM 0 HB THR A 71 66.847 -5.480 0.849 1.00 0.00 H new ATOM 0 HG1 THR A 71 64.727 -5.567 -0.337 1.00 0.00 H new ATOM 0 HG21 THR A 71 66.894 -7.913 1.335 1.00 0.00 H new ATOM 0 HG22 THR A 71 66.895 -6.958 2.837 1.00 0.00 H new ATOM 0 HG23 THR A 71 65.399 -7.749 2.287 1.00 0.00 H new ATOM 620 N THR A 72 65.583 -2.667 2.164 1.00 0.00 N ATOM 621 CA THR A 72 65.624 -1.267 1.636 1.00 0.00 C ATOM 622 C THR A 72 67.006 -0.958 1.051 1.00 0.00 C ATOM 623 O THR A 72 67.991 -0.921 1.767 1.00 0.00 O ATOM 624 CB THR A 72 65.343 -0.374 2.845 1.00 0.00 C ATOM 625 OG1 THR A 72 66.152 -0.783 3.940 1.00 0.00 O ATOM 626 CG2 THR A 72 63.867 -0.486 3.227 1.00 0.00 C ATOM 0 H THR A 72 65.974 -2.782 3.099 1.00 0.00 H new ATOM 0 HA THR A 72 64.899 -1.110 0.837 1.00 0.00 H new ATOM 0 HB THR A 72 65.576 0.661 2.594 1.00 0.00 H new ATOM 0 HG1 THR A 72 67.053 -0.996 3.619 1.00 0.00 H new ATOM 0 HG21 THR A 72 63.665 0.150 4.089 1.00 0.00 H new ATOM 0 HG22 THR A 72 63.249 -0.167 2.388 1.00 0.00 H new ATOM 0 HG23 THR A 72 63.633 -1.521 3.477 1.00 0.00 H new ATOM 634 N LEU A 73 67.073 -0.739 -0.244 1.00 0.00 N ATOM 635 CA LEU A 73 68.371 -0.386 -0.900 1.00 0.00 C ATOM 636 C LEU A 73 68.481 1.129 -1.076 1.00 0.00 C ATOM 637 O LEU A 73 67.598 1.756 -1.637 1.00 0.00 O ATOM 638 CB LEU A 73 68.325 -1.077 -2.266 1.00 0.00 C ATOM 639 CG LEU A 73 68.430 -2.591 -2.080 1.00 0.00 C ATOM 640 CD1 LEU A 73 67.847 -3.297 -3.306 1.00 0.00 C ATOM 641 CD2 LEU A 73 69.901 -2.984 -1.919 1.00 0.00 C ATOM 0 H LEU A 73 66.275 -0.791 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 73 69.230 -0.702 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 73 67.397 -0.827 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 73 69.142 -0.720 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 73 67.874 -2.887 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 73 67.922 -4.376 -3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 73 66.800 -3.017 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 73 68.404 -3.001 -4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 73 69.977 -4.063 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 73 70.456 -2.688 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 73 70.319 -2.481 -1.047 1.00 0.00 H new ATOM 653 N ALA A 74 69.557 1.715 -0.599 1.00 0.00 N ATOM 654 CA ALA A 74 69.784 3.182 -0.800 1.00 0.00 C ATOM 655 C ALA A 74 71.279 3.482 -0.943 1.00 0.00 C ATOM 656 O ALA A 74 72.104 2.847 -0.312 1.00 0.00 O ATOM 657 CB ALA A 74 69.226 3.846 0.458 1.00 0.00 C ATOM 0 H ALA A 74 70.290 1.236 -0.077 1.00 0.00 H new ATOM 0 HA ALA A 74 69.302 3.548 -1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 74 69.355 4.926 0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 74 68.165 3.613 0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 74 69.759 3.473 1.333 1.00 0.00 H new ATOM 663 N SER A 75 71.619 4.444 -1.770 1.00 0.00 N ATOM 664 CA SER A 75 73.044 4.880 -1.908 1.00 0.00 C ATOM 665 C SER A 75 73.103 6.393 -2.128 1.00 0.00 C ATOM 666 O SER A 75 72.093 7.019 -2.400 1.00 0.00 O ATOM 667 CB SER A 75 73.580 4.129 -3.129 1.00 0.00 C ATOM 668 OG SER A 75 72.937 4.613 -4.299 1.00 0.00 O ATOM 0 H SER A 75 70.960 4.951 -2.362 1.00 0.00 H new ATOM 0 HA SER A 75 73.634 4.663 -1.018 1.00 0.00 H new ATOM 0 HB2 SER A 75 74.658 4.266 -3.210 1.00 0.00 H new ATOM 0 HB3 SER A 75 73.402 3.059 -3.019 1.00 0.00 H new ATOM 0 HG SER A 75 73.280 4.134 -5.082 1.00 0.00 H new ATOM 674 N GLY A 76 74.276 6.979 -2.009 1.00 0.00 N ATOM 675 CA GLY A 76 74.416 8.454 -2.223 1.00 0.00 C ATOM 676 C GLY A 76 75.841 8.908 -1.887 1.00 0.00 C ATOM 677 O GLY A 76 76.748 8.100 -1.783 1.00 0.00 O ATOM 0 H GLY A 76 75.142 6.495 -1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 76 74.183 8.702 -3.259 1.00 0.00 H new ATOM 0 HA3 GLY A 76 73.700 8.988 -1.599 1.00 0.00 H new ATOM 681 N CYS A 77 76.027 10.200 -1.719 1.00 0.00 N ATOM 682 CA CYS A 77 77.394 10.763 -1.484 1.00 0.00 C ATOM 683 C CYS A 77 77.644 10.942 0.015 1.00 0.00 C ATOM 684 O CYS A 77 76.803 11.471 0.726 1.00 0.00 O ATOM 685 CB CYS A 77 77.385 12.130 -2.179 1.00 0.00 C ATOM 686 SG CYS A 77 77.833 11.945 -3.923 1.00 0.00 S ATOM 0 H CYS A 77 75.279 10.893 -1.736 1.00 0.00 H new ATOM 0 HA CYS A 77 78.177 10.108 -1.867 1.00 0.00 H new ATOM 0 HB2 CYS A 77 76.397 12.582 -2.095 1.00 0.00 H new ATOM 0 HB3 CYS A 77 78.086 12.802 -1.685 1.00 0.00 H new ATOM 691 N MET A 78 78.790 10.509 0.493 1.00 0.00 N ATOM 692 CA MET A 78 79.165 10.758 1.918 1.00 0.00 C ATOM 693 C MET A 78 80.120 11.952 2.003 1.00 0.00 C ATOM 694 O MET A 78 81.182 11.944 1.404 1.00 0.00 O ATOM 695 CB MET A 78 79.866 9.475 2.372 1.00 0.00 C ATOM 696 CG MET A 78 79.946 9.449 3.899 1.00 0.00 C ATOM 697 SD MET A 78 80.804 7.947 4.433 1.00 0.00 S ATOM 698 CE MET A 78 79.459 6.782 4.101 1.00 0.00 C ATOM 0 H MET A 78 79.482 9.992 -0.049 1.00 0.00 H new ATOM 0 HA MET A 78 78.303 10.992 2.542 1.00 0.00 H new ATOM 0 HB2 MET A 78 79.321 8.603 2.011 1.00 0.00 H new ATOM 0 HB3 MET A 78 80.867 9.424 1.944 1.00 0.00 H new ATOM 0 HG2 MET A 78 80.475 10.331 4.261 1.00 0.00 H new ATOM 0 HG3 MET A 78 78.944 9.480 4.327 1.00 0.00 H new ATOM 0 HE1 MET A 78 79.022 6.453 5.044 1.00 0.00 H new ATOM 0 HE2 MET A 78 78.694 7.271 3.498 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.850 5.919 3.561 1.00 0.00 H new ATOM 708 N LYS A 79 79.744 12.973 2.744 1.00 0.00 N ATOM 709 CA LYS A 79 80.610 14.196 2.860 1.00 0.00 C ATOM 710 C LYS A 79 81.877 13.883 3.665 1.00 0.00 C ATOM 711 O LYS A 79 81.943 12.883 4.359 1.00 0.00 O ATOM 712 CB LYS A 79 79.755 15.271 3.558 1.00 0.00 C ATOM 713 CG LYS A 79 79.303 14.810 4.953 1.00 0.00 C ATOM 714 CD LYS A 79 78.800 16.020 5.747 1.00 0.00 C ATOM 715 CE LYS A 79 78.889 15.729 7.248 1.00 0.00 C ATOM 716 NZ LYS A 79 78.593 17.032 7.906 1.00 0.00 N ATOM 0 H LYS A 79 78.873 13.012 3.274 1.00 0.00 H new ATOM 0 HA LYS A 79 80.941 14.544 1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 79 80.329 16.194 3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 79 78.881 15.496 2.947 1.00 0.00 H new ATOM 0 HG2 LYS A 79 78.513 14.065 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 79 80.132 14.335 5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 79 79.395 16.900 5.502 1.00 0.00 H new ATOM 0 HD3 LYS A 79 77.770 16.245 5.471 1.00 0.00 H new ATOM 0 HE2 LYS A 79 78.172 14.964 7.546 1.00 0.00 H new ATOM 0 HE3 LYS A 79 79.878 15.363 7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 78.634 16.917 8.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 79.295 17.739 7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 77.642 17.352 7.631 1.00 0.00 H new ATOM 994 N ARG A 97 72.012 -6.911 8.238 1.00 0.00 N ATOM 995 CA ARG A 97 72.378 -5.691 7.452 1.00 0.00 C ATOM 996 C ARG A 97 73.715 -5.900 6.734 1.00 0.00 C ATOM 997 O ARG A 97 74.593 -6.584 7.230 1.00 0.00 O ATOM 998 CB ARG A 97 72.493 -4.572 8.489 1.00 0.00 C ATOM 999 CG ARG A 97 72.678 -3.225 7.786 1.00 0.00 C ATOM 1000 CD ARG A 97 72.498 -2.092 8.800 1.00 0.00 C ATOM 1001 NE ARG A 97 73.752 -2.086 9.630 1.00 0.00 N ATOM 1002 CZ ARG A 97 73.793 -1.564 10.845 1.00 0.00 C ATOM 1003 NH1 ARG A 97 72.749 -0.997 11.410 1.00 0.00 N ATOM 1004 NH2 ARG A 97 74.916 -1.608 11.508 1.00 0.00 N ATOM 0 HA ARG A 97 71.641 -5.460 6.683 1.00 0.00 H new ATOM 0 HB2 ARG A 97 71.598 -4.547 9.111 1.00 0.00 H new ATOM 0 HB3 ARG A 97 73.336 -4.765 9.152 1.00 0.00 H new ATOM 0 HG2 ARG A 97 73.669 -3.171 7.336 1.00 0.00 H new ATOM 0 HG3 ARG A 97 71.954 -3.122 6.977 1.00 0.00 H new ATOM 0 HD2 ARG A 97 72.357 -1.135 8.297 1.00 0.00 H new ATOM 0 HD3 ARG A 97 71.618 -2.259 9.421 1.00 0.00 H new ATOM 0 HE ARG A 97 74.601 -2.499 9.243 1.00 0.00 H new ATOM 0 HH11 ARG A 97 71.862 -0.947 10.909 1.00 0.00 H new ATOM 0 HH12 ARG A 97 72.826 -0.607 12.349 1.00 0.00 H new ATOM 0 HH21 ARG A 97 75.740 -2.039 11.088 1.00 0.00 H new ATOM 0 HH22 ARG A 97 74.970 -1.212 12.446 1.00 0.00 H new ATOM 1018 N THR A 98 73.859 -5.311 5.571 1.00 0.00 N ATOM 1019 CA THR A 98 75.189 -5.266 4.889 1.00 0.00 C ATOM 1020 C THR A 98 75.456 -3.851 4.365 1.00 0.00 C ATOM 1021 O THR A 98 74.534 -3.137 4.012 1.00 0.00 O ATOM 1022 CB THR A 98 75.088 -6.260 3.730 1.00 0.00 C ATOM 1023 OG1 THR A 98 74.543 -7.483 4.202 1.00 0.00 O ATOM 1024 CG2 THR A 98 76.482 -6.510 3.151 1.00 0.00 C ATOM 0 H THR A 98 73.103 -4.855 5.061 1.00 0.00 H new ATOM 0 HA THR A 98 76.007 -5.521 5.563 1.00 0.00 H new ATOM 0 HB THR A 98 74.441 -5.851 2.954 1.00 0.00 H new ATOM 0 HG1 THR A 98 75.237 -8.175 4.196 1.00 0.00 H new ATOM 0 HG21 THR A 98 76.411 -7.218 2.325 1.00 0.00 H new ATOM 0 HG22 THR A 98 76.899 -5.570 2.789 1.00 0.00 H new ATOM 0 HG23 THR A 98 77.130 -6.920 3.926 1.00 0.00 H new ATOM 1032 N ILE A 99 76.707 -3.448 4.317 1.00 0.00 N ATOM 1033 CA ILE A 99 77.054 -2.072 3.839 1.00 0.00 C ATOM 1034 C ILE A 99 78.363 -2.109 3.034 1.00 0.00 C ATOM 1035 O ILE A 99 79.175 -3.001 3.205 1.00 0.00 O ATOM 1036 CB ILE A 99 77.172 -1.213 5.116 1.00 0.00 C ATOM 1037 CG1 ILE A 99 77.455 0.245 4.734 1.00 0.00 C ATOM 1038 CG2 ILE A 99 78.298 -1.727 6.026 1.00 0.00 C ATOM 1039 CD1 ILE A 99 77.219 1.149 5.945 1.00 0.00 C ATOM 0 H ILE A 99 77.506 -4.019 4.591 1.00 0.00 H new ATOM 0 HA ILE A 99 76.303 -1.655 3.167 1.00 0.00 H new ATOM 0 HB ILE A 99 76.229 -1.280 5.659 1.00 0.00 H new ATOM 0 HG12 ILE A 99 78.483 0.347 4.386 1.00 0.00 H new ATOM 0 HG13 ILE A 99 76.808 0.548 3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 99 78.358 -1.103 6.918 1.00 0.00 H new ATOM 0 HG22 ILE A 99 78.089 -2.757 6.317 1.00 0.00 H new ATOM 0 HG23 ILE A 99 79.246 -1.686 5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 99 77.421 2.184 5.671 1.00 0.00 H new ATOM 0 HD12 ILE A 99 76.184 1.056 6.273 1.00 0.00 H new ATOM 0 HD13 ILE A 99 77.884 0.852 6.756 1.00 0.00 H new ATOM 1051 N GLU A 100 78.557 -1.142 2.164 1.00 0.00 N ATOM 1052 CA GLU A 100 79.794 -1.103 1.321 1.00 0.00 C ATOM 1053 C GLU A 100 80.255 0.344 1.116 1.00 0.00 C ATOM 1054 O GLU A 100 79.448 1.253 1.032 1.00 0.00 O ATOM 1055 CB GLU A 100 79.393 -1.735 -0.013 1.00 0.00 C ATOM 1056 CG GLU A 100 79.097 -3.223 0.191 1.00 0.00 C ATOM 1057 CD GLU A 100 78.880 -3.891 -1.168 1.00 0.00 C ATOM 1058 OE1 GLU A 100 77.824 -3.688 -1.744 1.00 0.00 O ATOM 1059 OE2 GLU A 100 79.773 -4.593 -1.610 1.00 0.00 O ATOM 0 H GLU A 100 77.905 -0.374 2.003 1.00 0.00 H new ATOM 0 HA GLU A 100 80.623 -1.635 1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 100 78.514 -1.231 -0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 100 80.194 -1.610 -0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 100 79.925 -3.701 0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 100 78.211 -3.346 0.814 1.00 0.00 H new ATOM 1066 N CYS A 101 81.552 0.548 1.032 1.00 0.00 N ATOM 1067 CA CYS A 101 82.116 1.925 0.851 1.00 0.00 C ATOM 1068 C CYS A 101 83.340 1.870 -0.074 1.00 0.00 C ATOM 1069 O CYS A 101 84.131 0.946 0.003 1.00 0.00 O ATOM 1070 CB CYS A 101 82.497 2.423 2.261 1.00 0.00 C ATOM 1071 SG CYS A 101 83.679 1.301 3.076 1.00 0.00 S ATOM 0 H CYS A 101 82.251 -0.193 1.082 1.00 0.00 H new ATOM 0 HA CYS A 101 81.399 2.603 0.387 1.00 0.00 H new ATOM 0 HB2 CYS A 101 82.932 3.420 2.190 1.00 0.00 H new ATOM 0 HB3 CYS A 101 81.598 2.510 2.871 1.00 0.00 H new ATOM 0 HG CYS A 101 84.386 0.686 2.175 1.00 0.00 H new ATOM 1076 N CYS A 102 83.496 2.851 -0.936 1.00 0.00 N ATOM 1077 CA CYS A 102 84.551 2.769 -2.002 1.00 0.00 C ATOM 1078 C CYS A 102 84.930 4.165 -2.510 1.00 0.00 C ATOM 1079 O CYS A 102 84.076 4.997 -2.756 1.00 0.00 O ATOM 1080 CB CYS A 102 83.973 1.895 -3.135 1.00 0.00 C ATOM 1081 SG CYS A 102 82.366 2.515 -3.718 1.00 0.00 S ATOM 0 H CYS A 102 82.938 3.705 -0.947 1.00 0.00 H new ATOM 0 HA CYS A 102 85.467 2.329 -1.609 1.00 0.00 H new ATOM 0 HB2 CYS A 102 84.676 1.869 -3.968 1.00 0.00 H new ATOM 0 HB3 CYS A 102 83.860 0.870 -2.781 1.00 0.00 H new ATOM 1086 N ARG A 103 86.215 4.414 -2.662 1.00 0.00 N ATOM 1087 CA ARG A 103 86.703 5.772 -3.061 1.00 0.00 C ATOM 1088 C ARG A 103 87.198 5.762 -4.517 1.00 0.00 C ATOM 1089 O ARG A 103 88.300 6.196 -4.817 1.00 0.00 O ATOM 1090 CB ARG A 103 87.851 6.067 -2.089 1.00 0.00 C ATOM 1091 CG ARG A 103 88.224 7.550 -2.172 1.00 0.00 C ATOM 1092 CD ARG A 103 89.396 7.837 -1.227 1.00 0.00 C ATOM 1093 NE ARG A 103 89.555 9.331 -1.217 1.00 0.00 N ATOM 1094 CZ ARG A 103 90.691 9.918 -0.880 1.00 0.00 C ATOM 1095 NH1 ARG A 103 91.758 9.243 -0.509 1.00 0.00 N ATOM 1096 NH2 ARG A 103 90.755 11.221 -0.907 1.00 0.00 N ATOM 0 H ARG A 103 86.952 3.722 -2.524 1.00 0.00 H new ATOM 0 HA ARG A 103 85.921 6.529 -3.013 1.00 0.00 H new ATOM 0 HB2 ARG A 103 87.554 5.812 -1.072 1.00 0.00 H new ATOM 0 HB3 ARG A 103 88.716 5.450 -2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 103 88.496 7.811 -3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 103 87.367 8.167 -1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 103 89.193 7.458 -0.225 1.00 0.00 H new ATOM 0 HD3 ARG A 103 90.307 7.349 -1.574 1.00 0.00 H new ATOM 0 HE ARG A 103 88.759 9.913 -1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 103 91.730 8.224 -0.473 1.00 0.00 H new ATOM 0 HH12 ARG A 103 92.613 9.739 -0.258 1.00 0.00 H new ATOM 0 HH21 ARG A 103 89.939 11.766 -1.184 1.00 0.00 H new ATOM 0 HH22 ARG A 103 91.621 11.694 -0.651 1.00 0.00 H new ATOM 1110 N THR A 104 86.382 5.267 -5.417 1.00 0.00 N ATOM 1111 CA THR A 104 86.723 5.305 -6.873 1.00 0.00 C ATOM 1112 C THR A 104 85.458 5.559 -7.697 1.00 0.00 C ATOM 1113 O THR A 104 84.368 5.201 -7.296 1.00 0.00 O ATOM 1114 CB THR A 104 87.320 3.929 -7.182 1.00 0.00 C ATOM 1115 OG1 THR A 104 86.464 2.914 -6.682 1.00 0.00 O ATOM 1116 CG2 THR A 104 88.693 3.811 -6.518 1.00 0.00 C ATOM 0 H THR A 104 85.484 4.834 -5.201 1.00 0.00 H new ATOM 0 HA THR A 104 87.423 6.104 -7.119 1.00 0.00 H new ATOM 0 HB THR A 104 87.424 3.813 -8.261 1.00 0.00 H new ATOM 0 HG1 THR A 104 86.847 2.035 -6.883 1.00 0.00 H new ATOM 0 HG21 THR A 104 89.120 2.832 -6.737 1.00 0.00 H new ATOM 0 HG22 THR A 104 89.352 4.589 -6.904 1.00 0.00 H new ATOM 0 HG23 THR A 104 88.587 3.928 -5.439 1.00 0.00 H new ATOM 1124 N ASN A 105 85.603 6.170 -8.848 1.00 0.00 N ATOM 1125 CA ASN A 105 84.417 6.782 -9.546 1.00 0.00 C ATOM 1126 C ASN A 105 83.362 5.727 -9.907 1.00 0.00 C ATOM 1127 O ASN A 105 83.669 4.684 -10.451 1.00 0.00 O ATOM 1128 CB ASN A 105 84.962 7.477 -10.808 1.00 0.00 C ATOM 1129 CG ASN A 105 85.691 6.474 -11.714 1.00 0.00 C ATOM 1130 OD1 ASN A 105 85.067 5.653 -12.356 1.00 0.00 O ATOM 1131 ND2 ASN A 105 86.993 6.509 -11.791 1.00 0.00 N ATOM 0 H ASN A 105 86.491 6.274 -9.339 1.00 0.00 H new ATOM 0 HA ASN A 105 83.914 7.494 -8.891 1.00 0.00 H new ATOM 0 HB2 ASN A 105 84.141 7.939 -11.357 1.00 0.00 H new ATOM 0 HB3 ASN A 105 85.644 8.277 -10.521 1.00 0.00 H new ATOM 0 HD21 ASN A 105 87.486 5.847 -12.390 1.00 0.00 H new ATOM 0 HD22 ASN A 105 87.517 7.198 -11.252 1.00 0.00 H new ATOM 1138 N LEU A 106 82.111 6.013 -9.596 1.00 0.00 N ATOM 1139 CA LEU A 106 80.968 5.079 -9.900 1.00 0.00 C ATOM 1140 C LEU A 106 81.230 3.660 -9.368 1.00 0.00 C ATOM 1141 O LEU A 106 80.709 2.695 -9.901 1.00 0.00 O ATOM 1142 CB LEU A 106 80.829 5.054 -11.431 1.00 0.00 C ATOM 1143 CG LEU A 106 80.513 6.457 -11.962 1.00 0.00 C ATOM 1144 CD1 LEU A 106 80.620 6.460 -13.488 1.00 0.00 C ATOM 1145 CD2 LEU A 106 79.092 6.855 -11.551 1.00 0.00 C ATOM 0 H LEU A 106 81.829 6.877 -9.133 1.00 0.00 H new ATOM 0 HA LEU A 106 80.057 5.426 -9.413 1.00 0.00 H new ATOM 0 HB2 LEU A 106 81.752 4.688 -11.880 1.00 0.00 H new ATOM 0 HB3 LEU A 106 80.038 4.362 -11.719 1.00 0.00 H new ATOM 0 HG LEU A 106 81.224 7.170 -11.544 1.00 0.00 H new ATOM 0 HD11 LEU A 106 80.395 7.457 -13.867 1.00 0.00 H new ATOM 0 HD12 LEU A 106 81.631 6.179 -13.782 1.00 0.00 H new ATOM 0 HD13 LEU A 106 79.910 5.746 -13.904 1.00 0.00 H new ATOM 0 HD21 LEU A 106 78.870 7.853 -11.930 1.00 0.00 H new ATOM 0 HD22 LEU A 106 78.380 6.142 -11.967 1.00 0.00 H new ATOM 0 HD23 LEU A 106 79.014 6.854 -10.464 1.00 0.00 H new ATOM 1157 N CYS A 107 82.027 3.535 -8.328 1.00 0.00 N ATOM 1158 CA CYS A 107 82.257 2.185 -7.697 1.00 0.00 C ATOM 1159 C CYS A 107 80.957 1.604 -7.115 1.00 0.00 C ATOM 1160 O CYS A 107 80.840 0.401 -6.957 1.00 0.00 O ATOM 1161 CB CYS A 107 83.317 2.381 -6.596 1.00 0.00 C ATOM 1162 SG CYS A 107 82.787 3.597 -5.353 1.00 0.00 S ATOM 0 H CYS A 107 82.528 4.307 -7.888 1.00 0.00 H new ATOM 0 HA CYS A 107 82.600 1.470 -8.445 1.00 0.00 H new ATOM 0 HB2 CYS A 107 83.515 1.426 -6.109 1.00 0.00 H new ATOM 0 HB3 CYS A 107 84.253 2.708 -7.048 1.00 0.00 H new ATOM 1167 N ASN A 108 79.992 2.442 -6.798 1.00 0.00 N ATOM 1168 CA ASN A 108 78.691 1.941 -6.248 1.00 0.00 C ATOM 1169 C ASN A 108 77.665 1.708 -7.368 1.00 0.00 C ATOM 1170 O ASN A 108 76.737 0.937 -7.197 1.00 0.00 O ATOM 1171 CB ASN A 108 78.206 3.032 -5.286 1.00 0.00 C ATOM 1172 CG ASN A 108 78.746 2.760 -3.877 1.00 0.00 C ATOM 1173 OD1 ASN A 108 79.349 3.617 -3.267 1.00 0.00 O ATOM 1174 ND2 ASN A 108 78.548 1.590 -3.334 1.00 0.00 N ATOM 0 H ASN A 108 80.053 3.455 -6.898 1.00 0.00 H new ATOM 0 HA ASN A 108 78.815 0.982 -5.746 1.00 0.00 H new ATOM 0 HB2 ASN A 108 78.542 4.010 -5.632 1.00 0.00 H new ATOM 0 HB3 ASN A 108 77.116 3.057 -5.269 1.00 0.00 H new ATOM 0 HD21 ASN A 108 78.900 1.397 -2.397 1.00 0.00 H new ATOM 0 HD22 ASN A 108 78.041 0.869 -3.847 1.00 0.00 H new ATOM 1181 N GLN A 109 77.823 2.359 -8.505 1.00 0.00 N ATOM 1182 CA GLN A 109 76.820 2.217 -9.622 1.00 0.00 C ATOM 1183 C GLN A 109 76.732 0.757 -10.092 1.00 0.00 C ATOM 1184 O GLN A 109 75.661 0.270 -10.414 1.00 0.00 O ATOM 1185 CB GLN A 109 77.331 3.109 -10.761 1.00 0.00 C ATOM 1186 CG GLN A 109 76.259 3.224 -11.849 1.00 0.00 C ATOM 1187 CD GLN A 109 76.727 4.203 -12.926 1.00 0.00 C ATOM 1188 OE1 GLN A 109 76.573 5.400 -12.785 1.00 0.00 O ATOM 1189 NE2 GLN A 109 77.295 3.741 -14.006 1.00 0.00 N ATOM 0 H GLN A 109 78.604 2.983 -8.708 1.00 0.00 H new ATOM 0 HA GLN A 109 75.822 2.509 -9.296 1.00 0.00 H new ATOM 0 HB2 GLN A 109 77.580 4.098 -10.377 1.00 0.00 H new ATOM 0 HB3 GLN A 109 78.246 2.690 -11.181 1.00 0.00 H new ATOM 0 HG2 GLN A 109 76.068 2.246 -12.290 1.00 0.00 H new ATOM 0 HG3 GLN A 109 75.320 3.567 -11.414 1.00 0.00 H new ATOM 0 HE21 GLN A 109 77.424 2.736 -14.124 1.00 0.00 H new ATOM 0 HE22 GLN A 109 77.610 4.385 -14.732 1.00 0.00 H new ATOM 1198 N TYR A 110 77.852 0.071 -10.132 1.00 0.00 N ATOM 1199 CA TYR A 110 77.859 -1.371 -10.535 1.00 0.00 C ATOM 1200 C TYR A 110 77.926 -2.303 -9.313 1.00 0.00 C ATOM 1201 O TYR A 110 78.232 -3.474 -9.454 1.00 0.00 O ATOM 1202 CB TYR A 110 79.117 -1.529 -11.389 1.00 0.00 C ATOM 1203 CG TYR A 110 79.093 -0.709 -12.657 1.00 0.00 C ATOM 1204 CD1 TYR A 110 78.132 -0.996 -13.677 1.00 0.00 C ATOM 1205 CD2 TYR A 110 80.032 0.354 -12.838 1.00 0.00 C ATOM 1206 CE1 TYR A 110 78.111 -0.219 -14.875 1.00 0.00 C ATOM 1207 CE2 TYR A 110 80.010 1.130 -14.039 1.00 0.00 C ATOM 1208 CZ TYR A 110 79.049 0.844 -15.056 1.00 0.00 C ATOM 1209 OH TYR A 110 79.027 1.594 -16.215 1.00 0.00 O ATOM 0 H TYR A 110 78.769 0.454 -9.900 1.00 0.00 H new ATOM 0 HA TYR A 110 76.947 -1.640 -11.069 1.00 0.00 H new ATOM 0 HB2 TYR A 110 79.986 -1.242 -10.797 1.00 0.00 H new ATOM 0 HB3 TYR A 110 79.240 -2.580 -11.648 1.00 0.00 H new ATOM 0 HD1 TYR A 110 77.423 -1.799 -13.541 1.00 0.00 H new ATOM 0 HD2 TYR A 110 80.758 0.571 -12.068 1.00 0.00 H new ATOM 0 HE1 TYR A 110 77.385 -0.435 -15.645 1.00 0.00 H new ATOM 0 HE2 TYR A 110 80.720 1.932 -14.177 1.00 0.00 H new ATOM 0 HH TYR A 110 79.730 2.276 -16.177 1.00 0.00 H new ATOM 1219 N LEU A 111 77.644 -1.799 -8.127 1.00 0.00 N ATOM 1220 CA LEU A 111 77.800 -2.623 -6.886 1.00 0.00 C ATOM 1221 C LEU A 111 76.440 -2.832 -6.210 1.00 0.00 C ATOM 1222 O LEU A 111 75.855 -1.899 -5.690 1.00 0.00 O ATOM 1223 CB LEU A 111 78.726 -1.803 -5.985 1.00 0.00 C ATOM 1224 CG LEU A 111 79.139 -2.638 -4.772 1.00 0.00 C ATOM 1225 CD1 LEU A 111 80.234 -3.626 -5.181 1.00 0.00 C ATOM 1226 CD2 LEU A 111 79.673 -1.712 -3.675 1.00 0.00 C ATOM 0 H LEU A 111 77.311 -0.848 -7.970 1.00 0.00 H new ATOM 0 HA LEU A 111 78.203 -3.614 -7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 111 79.610 -1.492 -6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 111 78.220 -0.895 -5.658 1.00 0.00 H new ATOM 0 HG LEU A 111 78.275 -3.187 -4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 111 80.528 -4.221 -4.317 1.00 0.00 H new ATOM 0 HD12 LEU A 111 79.856 -4.284 -5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 111 81.098 -3.077 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 111 79.968 -2.305 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 111 80.537 -1.164 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 111 78.895 -1.007 -3.383 1.00 0.00 H new ATOM 1238 N GLN A 112 75.945 -4.049 -6.221 1.00 0.00 N ATOM 1239 CA GLN A 112 74.704 -4.379 -5.453 1.00 0.00 C ATOM 1240 C GLN A 112 75.075 -4.984 -4.084 1.00 0.00 C ATOM 1241 O GLN A 112 75.742 -6.002 -4.053 1.00 0.00 O ATOM 1242 CB GLN A 112 73.975 -5.417 -6.308 1.00 0.00 C ATOM 1243 CG GLN A 112 72.528 -5.549 -5.832 1.00 0.00 C ATOM 1244 CD GLN A 112 71.686 -4.428 -6.445 1.00 0.00 C ATOM 1245 OE1 GLN A 112 71.393 -3.446 -5.792 1.00 0.00 O ATOM 1246 NE2 GLN A 112 71.279 -4.535 -7.681 1.00 0.00 N ATOM 0 H GLN A 112 76.352 -4.832 -6.733 1.00 0.00 H new ATOM 0 HA GLN A 112 74.090 -3.499 -5.262 1.00 0.00 H new ATOM 0 HB2 GLN A 112 73.998 -5.120 -7.357 1.00 0.00 H new ATOM 0 HB3 GLN A 112 74.481 -6.380 -6.238 1.00 0.00 H new ATOM 0 HG2 GLN A 112 72.126 -6.520 -6.121 1.00 0.00 H new ATOM 0 HG3 GLN A 112 72.485 -5.497 -4.744 1.00 0.00 H new ATOM 0 HE21 GLN A 112 71.525 -5.359 -8.229 1.00 0.00 H new ATOM 0 HE22 GLN A 112 70.715 -3.794 -8.098 1.00 0.00 H new ATOM 1255 N PRO A 113 74.648 -4.359 -2.990 1.00 0.00 N ATOM 1256 CA PRO A 113 74.887 -4.955 -1.644 1.00 0.00 C ATOM 1257 C PRO A 113 74.010 -6.198 -1.453 1.00 0.00 C ATOM 1258 O PRO A 113 72.870 -6.227 -1.882 1.00 0.00 O ATOM 1259 CB PRO A 113 74.487 -3.847 -0.670 1.00 0.00 C ATOM 1260 CG PRO A 113 73.538 -2.984 -1.434 1.00 0.00 C ATOM 1261 CD PRO A 113 73.931 -3.071 -2.882 1.00 0.00 C ATOM 0 HA PRO A 113 75.917 -5.280 -1.498 1.00 0.00 H new ATOM 0 HB2 PRO A 113 74.015 -4.258 0.223 1.00 0.00 H new ATOM 0 HB3 PRO A 113 75.357 -3.280 -0.339 1.00 0.00 H new ATOM 0 HG2 PRO A 113 72.511 -3.321 -1.292 1.00 0.00 H new ATOM 0 HG3 PRO A 113 73.586 -1.953 -1.083 1.00 0.00 H new ATOM 0 HD2 PRO A 113 73.057 -3.046 -3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 113 74.568 -2.236 -3.172 1.00 0.00 H new ATOM 1269 N THR A 114 74.542 -7.215 -0.812 1.00 0.00 N ATOM 1270 CA THR A 114 73.757 -8.467 -0.570 1.00 0.00 C ATOM 1271 C THR A 114 74.026 -8.993 0.842 1.00 0.00 C ATOM 1272 O THR A 114 75.101 -8.798 1.384 1.00 0.00 O ATOM 1273 CB THR A 114 74.246 -9.472 -1.620 1.00 0.00 C ATOM 1274 OG1 THR A 114 75.659 -9.620 -1.520 1.00 0.00 O ATOM 1275 CG2 THR A 114 73.872 -8.981 -3.023 1.00 0.00 C ATOM 0 H THR A 114 75.493 -7.229 -0.444 1.00 0.00 H new ATOM 0 HA THR A 114 72.684 -8.295 -0.650 1.00 0.00 H new ATOM 0 HB THR A 114 73.771 -10.437 -1.442 1.00 0.00 H new ATOM 0 HG1 THR A 114 75.969 -10.264 -2.191 1.00 0.00 H new ATOM 0 HG21 THR A 114 74.222 -9.699 -3.765 1.00 0.00 H new ATOM 0 HG22 THR A 114 72.789 -8.881 -3.097 1.00 0.00 H new ATOM 0 HG23 THR A 114 74.339 -8.013 -3.206 1.00 0.00 H new ATOM 1283 N LEU A 115 73.056 -9.655 1.432 1.00 0.00 N ATOM 1284 CA LEU A 115 73.241 -10.224 2.810 1.00 0.00 C ATOM 1285 C LEU A 115 74.205 -11.422 2.760 1.00 0.00 C ATOM 1286 O LEU A 115 74.326 -12.047 1.724 1.00 0.00 O ATOM 1287 CB LEU A 115 71.850 -10.677 3.269 1.00 0.00 C ATOM 1288 CG LEU A 115 71.081 -9.479 3.827 1.00 0.00 C ATOM 1289 CD1 LEU A 115 69.580 -9.785 3.815 1.00 0.00 C ATOM 1290 CD2 LEU A 115 71.533 -9.208 5.264 1.00 0.00 C ATOM 0 H LEU A 115 72.140 -9.827 1.017 1.00 0.00 H new ATOM 0 HA LEU A 115 73.667 -9.491 3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 115 71.305 -11.115 2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 115 71.941 -11.451 4.031 1.00 0.00 H new ATOM 0 HG LEU A 115 71.279 -8.602 3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 115 69.031 -8.931 4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 115 69.257 -9.980 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 115 69.383 -10.662 4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 115 70.985 -8.354 5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 115 71.335 -10.086 5.879 1.00 0.00 H new ATOM 0 HD23 LEU A 115 72.601 -8.991 5.275 1.00 0.00 H new