USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 SER OG : rot 21:sc= 0.966 USER MOD Single : A 173 THR OG1 : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 ASN : amide:sc= -5.75! C(o=-5.8!,f=-7.9!) USER MOD Single : A 191 TYR OH : rot 180:sc= -2.97 USER MOD Single : A 193 TYR OH : rot 171:sc= -1.96! USER MOD Single : A 194 ASN : amide:sc= -0.396 K(o=-0.4,f=-2.1!) USER MOD Single : A 196 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 197 SER OG : rot 180:sc= 0 USER MOD Single : A 198 LYS NZ :NH3+ 162:sc= -0.0557 (180deg=-0.322) USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 207 SER OG : rot 177:sc= -1.01 USER MOD Single : A 209 ASN : amide:sc= -0.0304 K(o=-0.03,f=-1.6!) USER MOD Single : A 210 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 213 GLN : amide:sc= -2.25 K(o=-2.3,f=-5.5!) USER MOD Single : A 217 ASN : amide:sc= -8.15! C(o=-8.2!,f=-12!) USER MOD Single : A 218 TYR OH : rot 180:sc= 0 USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 223 THR OG1 : rot 15:sc= 0.306 USER MOD Single : A 225 TYR OH : rot 180:sc= -0.0516 USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 230 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0862) USER MOD Single : A 233 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.108) USER MOD Single : A 236 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.08) USER MOD Single : A 238 GLN : amide:sc= -1.44 K(o=-1.4,f=-8.1!) USER MOD Single : A 239 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.204) USER MOD Single : A 240 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 160 17.597 6.357 -13.156 -0.36 0.02 N ATOM 26 CA ASP A 160 18.523 7.302 -12.539 1.00 0.01 C ATOM 27 C ASP A 160 19.362 6.618 -11.462 0.48 0.02 C ATOM 28 O ASP A 160 20.508 6.238 -11.702 -0.48 0.02 O ATOM 29 CB ASP A 160 17.761 8.491 -11.937 -0.45 0.01 C ATOM 30 CG ASP A 160 16.352 8.130 -11.498 0.49 0.01 C ATOM 31 OD1 ASP A 160 16.211 7.332 -10.546 -0.62 0.01 O ATOM 32 OD2 ASP A 160 15.391 8.646 -12.105 -0.62 0.01 O ATOM 0 HA ASP A 160 19.192 7.671 -13.316 1.00 0.01 H new ATOM 0 HB2 ASP A 160 18.315 8.875 -11.081 -0.45 0.01 H new ATOM 0 HB3 ASP A 160 17.712 9.294 -12.672 -0.45 0.01 H new ATOM 37 N VAL A 161 18.782 6.462 -10.277 -0.36 0.01 N ATOM 38 CA VAL A 161 19.469 5.821 -9.163 1.00 0.01 C ATOM 39 C VAL A 161 18.465 5.145 -8.237 0.48 0.01 C ATOM 40 O VAL A 161 17.305 5.562 -8.164 -0.48 0.01 O ATOM 41 CB VAL A 161 20.305 6.835 -8.357 -0.10 0.01 C ATOM 42 CG1 VAL A 161 19.415 7.918 -7.766 -0.30 0.02 C ATOM 43 CG2 VAL A 161 21.096 6.128 -7.266 -0.30 0.02 C ATOM 0 H VAL A 161 17.834 6.772 -10.063 -0.36 0.01 H new ATOM 0 HA VAL A 161 20.142 5.073 -9.582 1.00 0.01 H new ATOM 0 HB VAL A 161 21.012 7.313 -9.035 -0.10 0.01 H new ATOM 0 HG11 VAL A 161 20.026 8.623 -7.201 -0.30 0.02 H new ATOM 0 HG12 VAL A 161 18.901 8.446 -8.570 -0.30 0.02 H new ATOM 0 HG13 VAL A 161 18.679 7.463 -7.103 -0.30 0.02 H new ATOM 0 HG21 VAL A 161 21.680 6.860 -6.708 -0.30 0.02 H new ATOM 0 HG22 VAL A 161 20.409 5.620 -6.590 -0.30 0.02 H new ATOM 0 HG23 VAL A 161 21.767 5.397 -7.718 -0.30 0.02 H new ATOM 53 N ASP A 162 18.915 4.097 -7.540 -0.36 0.01 N ATOM 54 CA ASP A 162 18.054 3.352 -6.622 1.00 0.01 C ATOM 55 C ASP A 162 16.692 3.099 -7.257 0.48 0.01 C ATOM 56 O ASP A 162 15.855 3.994 -7.323 -0.48 0.02 O ATOM 57 CB ASP A 162 17.892 4.118 -5.308 -0.45 0.01 C ATOM 58 CG ASP A 162 18.966 3.766 -4.297 0.49 0.02 C ATOM 59 OD1 ASP A 162 19.110 2.567 -3.978 -0.62 0.02 O ATOM 60 OD2 ASP A 162 19.663 4.688 -3.826 -0.62 0.02 O ATOM 0 H ASP A 162 19.871 3.747 -7.596 -0.36 0.01 H new ATOM 0 HA ASP A 162 18.522 2.391 -6.411 1.00 0.01 H new ATOM 0 HB2 ASP A 162 17.923 5.189 -5.509 -0.45 0.01 H new ATOM 0 HB3 ASP A 162 16.912 3.902 -4.883 -0.45 0.01 H new ATOM 65 N GLU A 163 16.468 1.884 -7.737 -0.36 0.02 N ATOM 66 CA GLU A 163 15.201 1.567 -8.373 1.00 0.02 C ATOM 67 C GLU A 163 14.379 0.634 -7.506 0.48 0.02 C ATOM 68 O GLU A 163 13.164 0.784 -7.386 -0.48 0.02 O ATOM 69 CB GLU A 163 15.437 0.952 -9.753 -0.20 0.01 C ATOM 70 CG GLU A 163 16.452 1.715 -10.590 -0.45 0.01 C ATOM 71 CD GLU A 163 16.047 3.158 -10.835 0.49 0.01 C ATOM 72 OE1 GLU A 163 15.760 3.875 -9.851 -0.62 0.01 O ATOM 73 OE2 GLU A 163 16.016 3.572 -12.013 -0.62 0.01 O ATOM 0 H GLU A 163 17.136 1.114 -7.699 -0.36 0.02 H new ATOM 0 HA GLU A 163 14.640 2.493 -8.497 1.00 0.02 H new ATOM 0 HB2 GLU A 163 15.778 -0.076 -9.631 -0.20 0.01 H new ATOM 0 HB3 GLU A 163 14.490 0.912 -10.291 -0.20 0.01 H new ATOM 0 HG2 GLU A 163 17.419 1.694 -10.088 -0.45 0.01 H new ATOM 0 HG3 GLU A 163 16.579 1.210 -11.548 -0.45 0.01 H new ATOM 80 N CYS A 164 15.050 -0.326 -6.896 -0.36 0.02 N ATOM 81 CA CYS A 164 14.384 -1.281 -6.030 1.00 0.02 C ATOM 82 C CYS A 164 14.888 -1.153 -4.599 0.48 0.02 C ATOM 83 O CYS A 164 14.180 -1.482 -3.648 -0.48 0.02 O ATOM 84 CB CYS A 164 14.581 -2.691 -6.569 0.20 0.02 C ATOM 85 SG CYS A 164 14.137 -2.846 -8.330 -0.20 0.02 S ATOM 0 H CYS A 164 16.057 -0.465 -6.985 -0.36 0.02 H new ATOM 0 HA CYS A 164 13.315 -1.067 -6.017 1.00 0.02 H new ATOM 0 HB2 CYS A 164 15.622 -2.983 -6.435 0.20 0.02 H new ATOM 0 HB3 CYS A 164 13.977 -3.385 -5.985 0.20 0.02 H new ATOM 90 N SER A 165 16.101 -0.633 -4.453 -0.36 0.02 N ATOM 91 CA SER A 165 16.682 -0.414 -3.139 1.00 0.02 C ATOM 92 C SER A 165 16.458 1.036 -2.716 0.48 0.02 C ATOM 93 O SER A 165 17.065 1.518 -1.759 -0.48 0.02 O ATOM 94 CB SER A 165 18.179 -0.733 -3.155 0.08 0.02 C ATOM 95 OG SER A 165 18.487 -1.683 -4.160 -0.68 0.02 O ATOM 0 H SER A 165 16.700 -0.356 -5.231 -0.36 0.02 H new ATOM 0 HA SER A 165 16.197 -1.077 -2.423 1.00 0.02 H new ATOM 0 HB2 SER A 165 18.747 0.181 -3.328 0.08 0.02 H new ATOM 0 HB3 SER A 165 18.483 -1.118 -2.181 0.08 0.02 H new ATOM 0 HG SER A 165 19.449 -1.869 -4.151 -0.68 0.02 H new ATOM 101 N LEU A 166 15.577 1.728 -3.445 -0.36 0.02 N ATOM 102 CA LEU A 166 15.263 3.120 -3.163 1.00 0.02 C ATOM 103 C LEU A 166 14.413 3.236 -1.903 0.48 0.02 C ATOM 104 O LEU A 166 14.841 3.805 -0.899 -0.48 0.02 O ATOM 105 CB LEU A 166 14.518 3.733 -4.349 -0.20 0.02 C ATOM 106 CG LEU A 166 14.432 5.262 -4.346 -0.10 0.02 C ATOM 107 CD1 LEU A 166 14.961 5.824 -5.655 -0.30 0.02 C ATOM 108 CD2 LEU A 166 12.999 5.716 -4.111 -0.30 0.02 C ATOM 0 H LEU A 166 15.069 1.338 -4.239 -0.36 0.02 H new ATOM 0 HA LEU A 166 16.196 3.660 -3.002 1.00 0.02 H new ATOM 0 HB2 LEU A 166 15.008 3.415 -5.269 -0.20 0.02 H new ATOM 0 HB3 LEU A 166 13.506 3.328 -4.370 -0.20 0.02 H new ATOM 0 HG LEU A 166 15.049 5.641 -3.532 -0.10 0.02 H new ATOM 0 HD11 LEU A 166 14.893 6.912 -5.638 -0.30 0.02 H new ATOM 0 HD12 LEU A 166 16.002 5.527 -5.784 -0.30 0.02 H new ATOM 0 HD13 LEU A 166 14.368 5.437 -6.483 -0.30 0.02 H new ATOM 0 HD21 LEU A 166 12.958 6.805 -4.112 -0.30 0.02 H new ATOM 0 HD22 LEU A 166 12.360 5.328 -4.904 -0.30 0.02 H new ATOM 0 HD23 LEU A 166 12.652 5.341 -3.148 -0.30 0.02 H new ATOM 120 N LYS A 167 13.205 2.687 -1.970 -0.36 0.02 N ATOM 121 CA LYS A 167 12.282 2.719 -0.842 1.00 0.02 C ATOM 122 C LYS A 167 12.306 1.392 -0.088 0.48 0.02 C ATOM 123 O LYS A 167 12.876 0.409 -0.562 -0.48 0.02 O ATOM 124 CB LYS A 167 10.862 3.014 -1.331 -0.20 0.02 C ATOM 125 CG LYS A 167 10.456 4.471 -1.178 -0.20 0.02 C ATOM 126 CD LYS A 167 8.951 4.617 -1.021 -0.20 0.02 C ATOM 127 CE LYS A 167 8.204 4.038 -2.213 0.30 5.02 C ATOM 128 NZ LYS A 167 6.764 3.814 -1.910 -0.81 0.02 N ATOM 0 H LYS A 167 12.841 2.213 -2.797 -0.36 0.02 H new ATOM 0 HA LYS A 167 12.598 3.511 -0.163 1.00 0.02 H new ATOM 0 HB2 LYS A 167 10.782 2.732 -2.381 -0.20 0.02 H new ATOM 0 HB3 LYS A 167 10.159 2.390 -0.779 -0.20 0.02 H new ATOM 0 HG2 LYS A 167 10.957 4.900 -0.310 -0.20 0.02 H new ATOM 0 HG3 LYS A 167 10.788 5.036 -2.049 -0.20 0.02 H new ATOM 0 HD2 LYS A 167 8.629 4.113 -0.110 -0.20 0.02 H new ATOM 0 HD3 LYS A 167 8.697 5.671 -0.909 -0.20 0.02 H new ATOM 0 HE2 LYS A 167 8.295 4.715 -3.062 0.30 5.02 H new ATOM 0 HE3 LYS A 167 8.664 3.095 -2.507 0.30 5.02 H new ATOM 0 HZ1 LYS A 167 6.290 3.419 -2.747 -0.81 0.02 H new ATOM 0 HZ2 LYS A 167 6.676 3.148 -1.116 -0.81 0.02 H new ATOM 0 HZ3 LYS A 167 6.318 4.718 -1.655 -0.81 0.02 H new ATOM 142 N PRO A 168 11.682 1.346 1.101 -0.36 0.02 N ATOM 143 CA PRO A 168 11.633 0.137 1.919 1.00 0.02 C ATOM 144 C PRO A 168 10.493 -0.800 1.523 0.48 0.02 C ATOM 145 O PRO A 168 10.160 -1.728 2.261 -0.48 0.02 O ATOM 146 CB PRO A 168 11.401 0.697 3.319 -0.20 0.02 C ATOM 147 CG PRO A 168 10.588 1.929 3.100 -0.20 0.02 C ATOM 148 CD PRO A 168 10.979 2.472 1.746 0.06 0.02 C ATOM 0 HA PRO A 168 12.533 -0.469 1.816 1.00 0.02 H new ATOM 0 HB2 PRO A 168 10.874 -0.019 3.950 -0.20 0.02 H new ATOM 0 HB3 PRO A 168 12.344 0.927 3.816 -0.20 0.02 H new ATOM 0 HG2 PRO A 168 9.523 1.701 3.132 -0.20 0.02 H new ATOM 0 HG3 PRO A 168 10.780 2.664 3.882 -0.20 0.02 H new ATOM 0 HD2 PRO A 168 10.105 2.779 1.171 0.06 0.02 H new ATOM 0 HD3 PRO A 168 11.624 3.346 1.837 0.06 0.02 H new ATOM 156 N SER A 169 9.893 -0.555 0.359 -0.36 0.02 N ATOM 157 CA SER A 169 8.791 -1.384 -0.117 1.00 0.02 C ATOM 158 C SER A 169 8.625 -1.266 -1.632 0.48 0.02 C ATOM 159 O SER A 169 7.618 -0.750 -2.118 -0.48 0.02 O ATOM 160 CB SER A 169 7.491 -0.985 0.584 0.08 0.02 C ATOM 161 OG SER A 169 7.441 -1.504 1.903 -0.68 0.02 O ATOM 0 H SER A 169 10.151 0.207 -0.268 -0.36 0.02 H new ATOM 0 HA SER A 169 9.023 -2.422 0.120 1.00 0.02 H new ATOM 0 HB2 SER A 169 7.409 0.102 0.614 0.08 0.02 H new ATOM 0 HB3 SER A 169 6.639 -1.353 0.013 0.08 0.02 H new ATOM 0 HG SER A 169 8.350 -1.706 2.210 -0.68 0.02 H new ATOM 167 N ILE A 170 9.615 -1.755 -2.372 -0.36 0.02 N ATOM 168 CA ILE A 170 9.575 -1.711 -3.830 1.00 0.02 C ATOM 169 C ILE A 170 9.149 -3.056 -4.404 0.48 0.02 C ATOM 170 O ILE A 170 7.962 -3.376 -4.447 -0.48 0.02 O ATOM 171 CB ILE A 170 10.946 -1.331 -4.421 -0.10 0.02 C ATOM 172 CG1 ILE A 170 11.366 0.055 -3.941 -0.20 0.02 C ATOM 173 CG2 ILE A 170 10.931 -1.390 -5.948 -0.30 0.02 C ATOM 174 CD1 ILE A 170 10.502 1.160 -4.506 -0.30 0.02 C ATOM 0 H ILE A 170 10.455 -2.186 -1.986 -0.36 0.02 H new ATOM 0 HA ILE A 170 8.846 -0.949 -4.103 1.00 0.02 H new ATOM 0 HB ILE A 170 11.676 -2.060 -4.069 -0.10 0.02 H new ATOM 0 HG12 ILE A 170 11.321 0.086 -2.852 -0.20 0.02 H new ATOM 0 HG13 ILE A 170 12.404 0.232 -4.222 -0.20 0.02 H new ATOM 0 HG21 ILE A 170 11.914 -1.116 -6.332 -0.30 0.02 H new ATOM 0 HG22 ILE A 170 10.684 -2.401 -6.271 -0.30 0.02 H new ATOM 0 HG23 ILE A 170 10.185 -0.694 -6.332 -0.30 0.02 H new ATOM 0 HD11 ILE A 170 10.849 2.122 -4.129 -0.30 0.02 H new ATOM 0 HD12 ILE A 170 10.567 1.152 -5.594 -0.30 0.02 H new ATOM 0 HD13 ILE A 170 9.467 1.004 -4.203 -0.30 0.02 H new ATOM 186 N CYS A 171 10.126 -3.839 -4.862 -0.36 0.02 N ATOM 187 CA CYS A 171 9.839 -5.124 -5.442 1.00 0.02 C ATOM 188 C CYS A 171 11.077 -6.021 -5.453 0.48 0.02 C ATOM 189 O CYS A 171 11.533 -6.442 -6.516 -0.48 0.02 O ATOM 190 CB CYS A 171 9.287 -4.927 -6.856 0.20 0.02 C ATOM 191 SG CYS A 171 7.471 -5.059 -6.968 -0.20 0.02 S ATOM 0 H CYS A 171 11.116 -3.595 -4.837 -0.36 0.02 H new ATOM 0 HA CYS A 171 9.089 -5.627 -4.832 1.00 0.02 H new ATOM 0 HB2 CYS A 171 9.593 -3.947 -7.221 0.20 0.02 H new ATOM 0 HB3 CYS A 171 9.736 -5.668 -7.517 0.20 0.02 H new ATOM 196 N GLY A 172 11.605 -6.314 -4.255 -0.36 0.02 N ATOM 197 CA GLY A 172 12.784 -7.170 -4.120 -0.10 0.02 C ATOM 198 C GLY A 172 13.620 -7.235 -5.382 0.48 0.02 C ATOM 199 O GLY A 172 13.881 -8.317 -5.907 -0.48 0.02 O ATOM 0 H GLY A 172 11.232 -5.970 -3.370 -0.36 0.02 H new ATOM 0 HA2 GLY A 172 13.401 -6.801 -3.301 -0.10 0.02 H new ATOM 0 HA3 GLY A 172 12.465 -8.177 -3.850 -0.10 0.02 H new ATOM 203 N THR A 173 14.026 -6.062 -5.867 -0.36 0.02 N ATOM 204 CA THR A 173 14.822 -5.933 -7.076 1.00 0.02 C ATOM 205 C THR A 173 14.573 -7.085 -8.053 0.48 0.02 C ATOM 206 O THR A 173 15.506 -7.655 -8.618 -0.48 0.02 O ATOM 207 CB THR A 173 16.300 -5.807 -6.720 0.18 0.02 C ATOM 208 OG1 THR A 173 16.461 -5.526 -5.341 -0.68 0.02 O ATOM 209 CG2 THR A 173 17.015 -4.713 -7.498 -0.30 0.02 C ATOM 0 H THR A 173 13.807 -5.170 -5.424 -0.36 0.02 H new ATOM 0 HA THR A 173 14.512 -5.022 -7.589 1.00 0.02 H new ATOM 0 HB THR A 173 16.743 -6.768 -6.983 0.18 0.02 H new ATOM 0 HG1 THR A 173 17.415 -5.451 -5.132 -0.68 0.02 H new ATOM 0 HG21 THR A 173 18.062 -4.677 -7.197 -0.30 0.02 H new ATOM 0 HG22 THR A 173 16.952 -4.925 -8.565 -0.30 0.02 H new ATOM 0 HG23 THR A 173 16.545 -3.752 -7.290 -0.30 0.02 H new ATOM 217 N ALA A 174 13.292 -7.401 -8.250 -0.36 0.02 N ATOM 218 CA ALA A 174 12.881 -8.461 -9.164 1.00 0.02 C ATOM 219 C ALA A 174 12.920 -7.949 -10.598 0.48 0.02 C ATOM 220 O ALA A 174 13.738 -8.377 -11.411 -0.48 0.02 O ATOM 221 CB ALA A 174 11.470 -8.936 -8.806 -0.30 0.02 C ATOM 0 H ALA A 174 12.517 -6.931 -7.782 -0.36 0.02 H new ATOM 0 HA ALA A 174 13.568 -9.303 -9.073 1.00 0.02 H new ATOM 0 HB1 ALA A 174 11.168 -9.728 -9.492 -0.30 0.02 H new ATOM 0 HB2 ALA A 174 11.463 -9.318 -7.785 -0.30 0.02 H new ATOM 0 HB3 ALA A 174 10.774 -8.101 -8.886 -0.30 0.02 H new ATOM 227 N VAL A 175 12.031 -7.010 -10.874 -0.36 0.02 N ATOM 228 CA VAL A 175 11.920 -6.374 -12.179 1.00 0.02 C ATOM 229 C VAL A 175 11.187 -5.053 -12.006 0.48 0.02 C ATOM 230 O VAL A 175 10.201 -4.773 -12.688 -0.48 0.02 O ATOM 231 CB VAL A 175 11.156 -7.256 -13.188 -0.10 0.02 C ATOM 232 CG1 VAL A 175 11.127 -6.599 -14.560 -0.30 0.02 C ATOM 233 CG2 VAL A 175 11.774 -8.643 -13.268 -0.30 0.02 C ATOM 0 H VAL A 175 11.357 -6.663 -10.191 -0.36 0.02 H new ATOM 0 HA VAL A 175 12.923 -6.218 -12.575 1.00 0.02 H new ATOM 0 HB VAL A 175 10.129 -7.362 -12.839 -0.10 0.02 H new ATOM 0 HG11 VAL A 175 10.584 -7.237 -15.257 -0.30 0.02 H new ATOM 0 HG12 VAL A 175 10.630 -5.632 -14.490 -0.30 0.02 H new ATOM 0 HG13 VAL A 175 12.147 -6.457 -14.917 -0.30 0.02 H new ATOM 0 HG21 VAL A 175 11.219 -9.248 -13.985 -0.30 0.02 H new ATOM 0 HG22 VAL A 175 12.812 -8.561 -13.589 -0.30 0.02 H new ATOM 0 HG23 VAL A 175 11.734 -9.116 -12.287 -0.30 0.02 H new ATOM 243 N CYS A 176 11.660 -4.268 -11.044 -0.36 0.02 N ATOM 244 CA CYS A 176 11.038 -2.992 -10.714 1.00 0.02 C ATOM 245 C CYS A 176 11.517 -1.844 -11.586 0.48 0.02 C ATOM 246 O CYS A 176 12.700 -1.507 -11.609 -0.48 0.02 O ATOM 247 CB CYS A 176 11.249 -2.626 -9.233 0.20 0.02 C ATOM 248 SG CYS A 176 12.323 -3.755 -8.283 -0.20 0.02 S ATOM 0 H CYS A 176 12.477 -4.495 -10.477 -0.36 0.02 H new ATOM 0 HA CYS A 176 9.975 -3.134 -10.909 1.00 0.02 H new ATOM 0 HB2 CYS A 176 11.673 -1.623 -9.183 0.20 0.02 H new ATOM 0 HB3 CYS A 176 10.275 -2.585 -8.746 0.20 0.02 H new ATOM 253 N LYS A 177 10.560 -1.211 -12.253 -0.36 0.02 N ATOM 254 CA LYS A 177 10.836 -0.052 -13.077 1.00 0.02 C ATOM 255 C LYS A 177 10.654 1.186 -12.212 0.48 0.02 C ATOM 256 O LYS A 177 9.531 1.642 -11.989 -0.48 0.02 O ATOM 257 CB LYS A 177 9.898 -0.005 -14.286 -0.20 0.02 C ATOM 258 CG LYS A 177 10.520 0.645 -15.513 -0.20 0.02 C ATOM 259 CD LYS A 177 9.835 1.957 -15.863 -0.20 0.02 C ATOM 260 CE LYS A 177 8.919 1.808 -17.068 0.30 5.02 C ATOM 261 NZ LYS A 177 7.513 2.181 -16.747 -0.81 0.02 N ATOM 0 H LYS A 177 9.578 -1.488 -12.235 -0.36 0.02 H new ATOM 0 HA LYS A 177 11.855 -0.101 -13.461 1.00 0.02 H new ATOM 0 HB2 LYS A 177 9.593 -1.020 -14.538 -0.20 0.02 H new ATOM 0 HB3 LYS A 177 8.995 0.541 -14.014 -0.20 0.02 H new ATOM 0 HG2 LYS A 177 11.580 0.825 -15.332 -0.20 0.02 H new ATOM 0 HG3 LYS A 177 10.453 -0.038 -16.360 -0.20 0.02 H new ATOM 0 HD2 LYS A 177 9.257 2.306 -15.007 -0.20 0.02 H new ATOM 0 HD3 LYS A 177 10.588 2.717 -16.070 -0.20 0.02 H new ATOM 0 HE2 LYS A 177 9.284 2.435 -17.881 0.30 5.02 H new ATOM 0 HE3 LYS A 177 8.949 0.777 -17.422 0.30 5.02 H new ATOM 0 HZ1 LYS A 177 6.921 2.066 -17.594 -0.81 0.02 H new ATOM 0 HZ2 LYS A 177 7.155 1.566 -15.988 -0.81 0.02 H new ATOM 0 HZ3 LYS A 177 7.480 3.172 -16.434 -0.81 0.02 H new ATOM 275 N ASN A 178 11.756 1.690 -11.680 -0.36 0.02 N ATOM 276 CA ASN A 178 11.712 2.841 -10.794 1.00 0.01 C ATOM 277 C ASN A 178 11.936 4.144 -11.541 0.48 0.02 C ATOM 278 O ASN A 178 12.336 4.153 -12.705 -0.48 0.02 O ATOM 279 CB ASN A 178 12.761 2.690 -9.699 -0.20 0.01 C ATOM 280 CG ASN A 178 12.481 3.563 -8.491 0.48 0.01 C ATOM 281 OD1 ASN A 178 12.844 4.740 -8.464 -0.48 0.01 O ATOM 282 ND2 ASN A 178 11.837 2.988 -7.482 -0.52 0.01 N ATOM 0 H ASN A 178 12.692 1.320 -11.847 -0.36 0.02 H new ATOM 0 HA ASN A 178 10.716 2.879 -10.353 1.00 0.01 H new ATOM 0 HB2 ASN A 178 12.804 1.647 -9.385 -0.20 0.01 H new ATOM 0 HB3 ASN A 178 13.741 2.942 -10.104 -0.20 0.01 H new ATOM 0 HD21 ASN A 178 11.624 3.524 -6.641 -0.52 0.01 H new ATOM 0 HD22 ASN A 178 11.555 2.010 -7.548 -0.52 0.01 H new ATOM 289 N ILE A 179 11.672 5.245 -10.851 -0.36 0.01 N ATOM 290 CA ILE A 179 11.838 6.567 -11.425 1.00 0.01 C ATOM 291 C ILE A 179 12.369 7.542 -10.371 0.48 0.01 C ATOM 292 O ILE A 179 12.465 7.193 -9.190 -0.48 0.01 O ATOM 293 CB ILE A 179 10.506 7.067 -12.022 -0.10 0.01 C ATOM 294 CG1 ILE A 179 9.443 7.213 -10.929 -0.20 0.02 C ATOM 295 CG2 ILE A 179 10.040 6.099 -13.101 -0.30 0.02 C ATOM 296 CD1 ILE A 179 8.021 7.187 -11.455 -0.30 5.62 C ATOM 0 H ILE A 179 11.340 5.245 -9.887 -0.36 0.01 H new ATOM 0 HA ILE A 179 12.568 6.509 -12.232 1.00 0.01 H new ATOM 0 HB ILE A 179 10.661 8.050 -12.467 -0.10 0.01 H new ATOM 0 HG12 ILE A 179 9.568 6.409 -10.204 -0.20 0.02 H new ATOM 0 HG13 ILE A 179 9.607 8.150 -10.397 -0.20 0.02 H new ATOM 0 HG21 ILE A 179 9.099 6.451 -13.524 -0.30 0.02 H new ATOM 0 HG22 ILE A 179 10.792 6.041 -13.888 -0.30 0.02 H new ATOM 0 HG23 ILE A 179 9.895 5.111 -12.665 -0.30 0.02 H new ATOM 0 HD11 ILE A 179 7.324 7.295 -10.624 -0.30 5.62 H new ATOM 0 HD12 ILE A 179 7.878 8.008 -12.158 -0.30 5.62 H new ATOM 0 HD13 ILE A 179 7.838 6.239 -11.961 -0.30 5.62 H new ATOM 308 N PRO A 180 12.752 8.768 -10.781 -0.36 0.01 N ATOM 309 CA PRO A 180 13.304 9.776 -9.869 1.00 0.01 C ATOM 310 C PRO A 180 12.578 9.869 -8.530 0.48 0.01 C ATOM 311 O PRO A 180 13.164 10.288 -7.532 -0.48 0.02 O ATOM 312 CB PRO A 180 13.145 11.069 -10.662 -0.20 0.01 C ATOM 313 CG PRO A 180 13.311 10.646 -12.079 -0.20 0.02 C ATOM 314 CD PRO A 180 12.707 9.268 -12.173 0.06 0.01 C ATOM 0 HA PRO A 180 14.329 9.538 -9.586 1.00 0.01 H new ATOM 0 HB2 PRO A 180 12.169 11.523 -10.493 -0.20 0.01 H new ATOM 0 HB3 PRO A 180 13.894 11.807 -10.376 -0.20 0.01 H new ATOM 0 HG2 PRO A 180 12.810 11.339 -12.755 -0.20 0.02 H new ATOM 0 HG3 PRO A 180 14.364 10.631 -12.361 -0.20 0.02 H new ATOM 0 HD2 PRO A 180 11.686 9.304 -12.553 0.06 0.01 H new ATOM 0 HD3 PRO A 180 13.275 8.627 -12.847 0.06 0.01 H new ATOM 322 N GLY A 181 11.309 9.485 -8.505 -0.36 0.02 N ATOM 323 CA GLY A 181 10.556 9.552 -7.265 -0.10 0.02 C ATOM 324 C GLY A 181 9.333 8.654 -7.245 0.48 0.02 C ATOM 325 O GLY A 181 8.244 9.093 -6.874 -0.48 0.02 O ATOM 0 H GLY A 181 10.791 9.132 -9.310 -0.36 0.02 H new ATOM 0 HA2 GLY A 181 11.211 9.278 -6.438 -0.10 0.02 H new ATOM 0 HA3 GLY A 181 10.242 10.582 -7.096 -0.10 0.02 H new ATOM 329 N ASP A 182 9.510 7.394 -7.624 -0.36 0.02 N ATOM 330 CA ASP A 182 8.409 6.439 -7.624 1.00 0.02 C ATOM 331 C ASP A 182 8.923 5.047 -7.957 0.48 0.02 C ATOM 332 O ASP A 182 10.130 4.814 -7.955 -0.48 0.02 O ATOM 333 CB ASP A 182 7.323 6.864 -8.612 -0.45 0.02 C ATOM 334 CG ASP A 182 5.974 7.050 -7.944 0.49 0.02 C ATOM 335 OD1 ASP A 182 5.896 7.825 -6.968 -0.62 0.02 O ATOM 336 OD2 ASP A 182 4.995 6.420 -8.396 -0.62 0.02 O ATOM 0 H ASP A 182 10.403 7.011 -7.934 -0.36 0.02 H new ATOM 0 HA ASP A 182 7.968 6.418 -6.627 1.00 0.02 H new ATOM 0 HB2 ASP A 182 7.618 7.796 -9.094 -0.45 0.02 H new ATOM 0 HB3 ASP A 182 7.236 6.113 -9.397 -0.45 0.02 H new ATOM 341 N PHE A 183 8.015 4.118 -8.232 -0.36 0.02 N ATOM 342 CA PHE A 183 8.426 2.755 -8.547 1.00 0.02 C ATOM 343 C PHE A 183 7.349 1.951 -9.272 0.48 0.02 C ATOM 344 O PHE A 183 6.162 2.274 -9.232 -0.48 0.02 O ATOM 345 CB PHE A 183 8.815 2.013 -7.260 -0.16 0.02 C ATOM 346 CG PHE A 183 7.668 1.257 -6.633 0.03 0.02 C ATOM 347 CD1 PHE A 183 6.479 1.906 -6.342 -0.16 0.02 C ATOM 348 CD2 PHE A 183 7.772 -0.100 -6.349 -0.16 0.02 C ATOM 349 CE1 PHE A 183 5.416 1.223 -5.781 -0.15 0.02 C ATOM 350 CE2 PHE A 183 6.708 -0.788 -5.784 -0.15 0.02 C ATOM 351 CZ PHE A 183 5.532 -0.124 -5.502 -0.15 0.02 C ATOM 0 H PHE A 183 7.008 4.278 -8.244 -0.36 0.02 H new ATOM 0 HA PHE A 183 9.279 2.842 -9.220 1.00 0.02 H new ATOM 0 HB2 PHE A 183 9.622 1.315 -7.482 -0.16 0.02 H new ATOM 0 HB3 PHE A 183 9.204 2.732 -6.539 -0.16 0.02 H new ATOM 0 HD1 PHE A 183 6.381 2.960 -6.556 -0.16 0.02 H new ATOM 0 HD2 PHE A 183 8.690 -0.624 -6.570 -0.16 0.02 H new ATOM 0 HE1 PHE A 183 4.495 1.743 -5.561 -0.15 0.02 H new ATOM 0 HE2 PHE A 183 6.800 -1.842 -5.565 -0.15 0.02 H new ATOM 0 HZ PHE A 183 4.702 -0.658 -5.063 -0.15 0.02 H new ATOM 361 N GLU A 184 7.804 0.871 -9.895 -0.36 0.02 N ATOM 362 CA GLU A 184 6.948 -0.064 -10.611 1.00 0.02 C ATOM 363 C GLU A 184 7.658 -1.413 -10.655 0.48 0.02 C ATOM 364 O GLU A 184 8.811 -1.504 -10.241 -0.48 0.02 O ATOM 365 CB GLU A 184 6.656 0.441 -12.024 -0.20 0.02 C ATOM 366 CG GLU A 184 5.883 1.750 -12.048 -0.45 0.02 C ATOM 367 CD GLU A 184 5.041 1.906 -13.298 0.49 0.02 C ATOM 368 OE1 GLU A 184 4.256 0.984 -13.605 -0.62 0.02 O ATOM 369 OE2 GLU A 184 5.165 2.951 -13.971 -0.62 0.02 O ATOM 0 H GLU A 184 8.792 0.617 -9.917 -0.36 0.02 H new ATOM 0 HA GLU A 184 5.991 -0.162 -10.099 1.00 0.02 H new ATOM 0 HB2 GLU A 184 7.598 0.574 -12.557 -0.20 0.02 H new ATOM 0 HB3 GLU A 184 6.089 -0.318 -12.563 -0.20 0.02 H new ATOM 0 HG2 GLU A 184 5.238 1.803 -11.171 -0.45 0.02 H new ATOM 0 HG3 GLU A 184 6.583 2.583 -11.980 -0.45 0.02 H new ATOM 376 N CYS A 185 6.996 -2.459 -11.141 -0.36 0.02 N ATOM 377 CA CYS A 185 7.640 -3.773 -11.203 1.00 0.02 C ATOM 378 C CYS A 185 6.744 -4.838 -11.813 0.48 0.02 C ATOM 379 O CYS A 185 5.594 -4.583 -12.170 -0.48 0.02 O ATOM 380 CB CYS A 185 8.088 -4.231 -9.809 0.20 0.02 C ATOM 381 SG CYS A 185 6.960 -3.776 -8.456 -0.20 0.02 S ATOM 0 H CYS A 185 6.038 -2.429 -11.490 -0.36 0.02 H new ATOM 0 HA CYS A 185 8.509 -3.653 -11.850 1.00 0.02 H new ATOM 0 HB2 CYS A 185 8.203 -5.315 -9.818 0.20 0.02 H new ATOM 0 HB3 CYS A 185 9.071 -3.808 -9.602 0.20 0.02 H new ATOM 386 N GLU A 186 7.297 -6.045 -11.919 -0.36 0.02 N ATOM 387 CA GLU A 186 6.577 -7.180 -12.473 1.00 0.02 C ATOM 388 C GLU A 186 5.375 -7.537 -11.607 0.48 0.02 C ATOM 389 O GLU A 186 4.483 -8.262 -12.045 -0.48 0.02 O ATOM 390 CB GLU A 186 7.505 -8.389 -12.599 -0.20 0.02 C ATOM 391 CG GLU A 186 6.835 -9.611 -13.206 -0.45 0.02 C ATOM 392 CD GLU A 186 6.171 -9.311 -14.536 0.49 0.02 C ATOM 393 OE1 GLU A 186 6.682 -8.441 -15.272 -0.62 0.02 O ATOM 394 OE2 GLU A 186 5.140 -9.947 -14.842 -0.62 0.02 O ATOM 0 H GLU A 186 8.250 -6.258 -11.624 -0.36 0.02 H new ATOM 0 HA GLU A 186 6.219 -6.901 -13.464 1.00 0.02 H new ATOM 0 HB2 GLU A 186 8.364 -8.115 -13.211 -0.20 0.02 H new ATOM 0 HB3 GLU A 186 7.887 -8.648 -11.611 -0.20 0.02 H new ATOM 0 HG2 GLU A 186 7.577 -10.397 -13.344 -0.45 0.02 H new ATOM 0 HG3 GLU A 186 6.089 -9.995 -12.510 -0.45 0.02 H new ATOM 401 N CYS A 187 5.341 -7.015 -10.381 -0.36 0.02 N ATOM 402 CA CYS A 187 4.228 -7.284 -9.487 1.00 0.02 C ATOM 403 C CYS A 187 2.974 -6.615 -10.044 0.48 0.02 C ATOM 404 O CYS A 187 2.864 -5.394 -10.020 -0.48 0.02 O ATOM 405 CB CYS A 187 4.534 -6.781 -8.067 0.20 0.02 C ATOM 406 SG CYS A 187 4.982 -8.108 -6.903 -0.20 0.02 S ATOM 0 H CYS A 187 6.065 -6.411 -9.992 -0.36 0.02 H new ATOM 0 HA CYS A 187 4.065 -8.360 -9.423 1.00 0.02 H new ATOM 0 HB2 CYS A 187 5.350 -6.060 -8.114 0.20 0.02 H new ATOM 0 HB3 CYS A 187 3.662 -6.251 -7.683 0.20 0.02 H new ATOM 411 N PRO A 188 2.019 -7.405 -10.585 -0.36 0.02 N ATOM 412 CA PRO A 188 0.786 -6.870 -11.172 1.00 0.02 C ATOM 413 C PRO A 188 0.138 -5.820 -10.284 0.48 0.02 C ATOM 414 O PRO A 188 -0.697 -6.146 -9.443 -0.48 0.02 O ATOM 415 CB PRO A 188 -0.126 -8.101 -11.314 -0.20 0.02 C ATOM 416 CG PRO A 188 0.607 -9.236 -10.669 -0.20 0.02 C ATOM 417 CD PRO A 188 2.062 -8.868 -10.687 0.06 0.02 C ATOM 0 HA PRO A 188 0.975 -6.366 -12.120 1.00 0.02 H new ATOM 0 HB2 PRO A 188 -1.087 -7.932 -10.829 -0.20 0.02 H new ATOM 0 HB3 PRO A 188 -0.331 -8.315 -12.363 -0.20 0.02 H new ATOM 0 HG2 PRO A 188 0.259 -9.392 -9.648 -0.20 0.02 H new ATOM 0 HG3 PRO A 188 0.435 -10.166 -11.210 -0.20 0.02 H new ATOM 0 HD2 PRO A 188 2.605 -9.317 -9.855 0.06 0.02 H new ATOM 0 HD3 PRO A 188 2.553 -9.197 -11.603 0.06 0.02 H new ATOM 425 N GLU A 189 0.577 -4.568 -10.449 -0.36 0.02 N ATOM 426 CA GLU A 189 0.114 -3.438 -9.658 1.00 0.02 C ATOM 427 C GLU A 189 1.103 -3.169 -8.546 0.48 0.02 C ATOM 428 O GLU A 189 2.112 -3.862 -8.436 -0.48 0.02 O ATOM 429 CB GLU A 189 -1.296 -3.637 -9.102 -0.20 0.02 C ATOM 430 CG GLU A 189 -2.189 -2.464 -9.410 -0.45 0.02 C ATOM 431 CD GLU A 189 -3.661 -2.827 -9.421 0.49 0.02 C ATOM 432 OE1 GLU A 189 -4.168 -3.220 -10.493 -0.62 0.02 O ATOM 433 OE2 GLU A 189 -4.307 -2.717 -8.358 -0.62 0.02 O ATOM 0 H GLU A 189 1.275 -4.314 -11.148 -0.36 0.02 H new ATOM 0 HA GLU A 189 0.055 -2.572 -10.318 1.00 0.02 H new ATOM 0 HB2 GLU A 189 -1.729 -4.544 -9.524 -0.20 0.02 H new ATOM 0 HB3 GLU A 189 -1.244 -3.781 -8.023 -0.20 0.02 H new ATOM 0 HG2 GLU A 189 -2.019 -1.681 -8.671 -0.45 0.02 H new ATOM 0 HG3 GLU A 189 -1.915 -2.051 -10.381 -0.45 0.02 H new ATOM 440 N GLY A 190 0.846 -2.152 -7.737 -0.36 0.02 N ATOM 441 CA GLY A 190 1.760 -1.815 -6.661 -0.10 0.02 C ATOM 442 C GLY A 190 2.155 -2.997 -5.787 0.48 0.02 C ATOM 443 O GLY A 190 2.865 -2.820 -4.802 -0.48 0.02 O ATOM 0 H GLY A 190 0.023 -1.554 -7.805 -0.36 0.02 H new ATOM 0 HA2 GLY A 190 2.661 -1.376 -7.089 -0.10 0.02 H new ATOM 0 HA3 GLY A 190 1.300 -1.051 -6.034 -0.10 0.02 H new ATOM 447 N TYR A 191 1.760 -4.213 -6.161 -0.36 0.02 N ATOM 448 CA TYR A 191 2.137 -5.390 -5.399 1.00 0.02 C ATOM 449 C TYR A 191 3.624 -5.355 -5.113 0.48 0.02 C ATOM 450 O TYR A 191 4.450 -5.145 -5.999 -0.48 0.02 O ATOM 451 CB TYR A 191 1.787 -6.668 -6.166 -0.20 0.02 C ATOM 452 CG TYR A 191 0.331 -7.059 -6.106 1.00 0.02 C ATOM 453 CD1 TYR A 191 -0.638 -6.312 -6.762 -0.14 0.02 C ATOM 454 CD2 TYR A 191 -0.072 -8.188 -5.407 -0.14 0.02 C ATOM 455 CE1 TYR A 191 -1.969 -6.677 -6.720 -0.14 0.02 C ATOM 456 CE2 TYR A 191 -1.401 -8.563 -5.362 -0.14 0.02 C ATOM 457 CZ TYR A 191 -2.345 -7.803 -6.019 0.20 0.02 C ATOM 458 OH TYR A 191 -3.669 -8.174 -5.980 -0.60 0.02 O ATOM 0 H TYR A 191 1.184 -4.403 -6.981 -0.36 0.02 H new ATOM 0 HA TYR A 191 1.583 -5.389 -4.460 1.00 0.02 H new ATOM 0 HB2 TYR A 191 2.072 -6.539 -7.210 -0.20 0.02 H new ATOM 0 HB3 TYR A 191 2.386 -7.488 -5.771 -0.20 0.02 H new ATOM 0 HD1 TYR A 191 -0.346 -5.431 -7.314 -0.14 0.02 H new ATOM 0 HD2 TYR A 191 0.666 -8.784 -4.890 -0.14 0.02 H new ATOM 0 HE1 TYR A 191 -2.711 -6.084 -7.233 -0.14 0.02 H new ATOM 0 HE2 TYR A 191 -1.698 -9.446 -4.816 -0.14 0.02 H new ATOM 0 HH TYR A 191 -3.765 -8.989 -5.445 -0.60 0.02 H new ATOM 468 N ARG A 192 3.938 -5.539 -3.862 -0.36 0.02 N ATOM 469 CA ARG A 192 5.316 -5.519 -3.398 1.00 0.02 C ATOM 470 C ARG A 192 5.933 -6.919 -3.440 0.48 0.02 C ATOM 471 O ARG A 192 5.472 -7.845 -2.772 -0.48 0.02 O ATOM 472 CB ARG A 192 5.383 -4.986 -1.968 -0.20 0.02 C ATOM 473 CG ARG A 192 5.109 -3.496 -1.853 -0.20 0.02 C ATOM 474 CD ARG A 192 4.867 -3.090 -0.409 -0.10 0.02 C ATOM 475 NE ARG A 192 5.931 -3.560 0.478 -0.60 0.02 N ATOM 476 CZ ARG A 192 5.726 -4.032 1.708 0.60 0.02 C ATOM 477 NH1 ARG A 192 4.499 -4.097 2.211 -0.60 0.02 N ATOM 478 NH2 ARG A 192 6.755 -4.440 2.438 -0.60 0.02 N ATOM 0 H ARG A 192 3.252 -5.708 -3.126 -0.36 0.02 H new ATOM 0 HA ARG A 192 5.881 -4.865 -4.063 1.00 0.02 H new ATOM 0 HB2 ARG A 192 4.662 -5.526 -1.355 -0.20 0.02 H new ATOM 0 HB3 ARG A 192 6.371 -5.197 -1.558 -0.20 0.02 H new ATOM 0 HG2 ARG A 192 5.954 -2.936 -2.254 -0.20 0.02 H new ATOM 0 HG3 ARG A 192 4.240 -3.236 -2.457 -0.20 0.02 H new ATOM 0 HD2 ARG A 192 4.795 -2.004 -0.345 -0.10 0.02 H new ATOM 0 HD3 ARG A 192 3.911 -3.493 -0.074 -0.10 0.02 H new ATOM 0 HE ARG A 192 6.890 -3.524 0.134 -0.60 0.02 H new ATOM 0 HH11 ARG A 192 3.703 -3.784 1.655 -0.60 0.02 H new ATOM 0 HH12 ARG A 192 4.353 -4.460 3.153 -0.60 0.02 H new ATOM 0 HH21 ARG A 192 7.700 -4.392 2.058 -0.60 0.02 H new ATOM 0 HH22 ARG A 192 6.601 -4.802 3.379 -0.60 0.02 H new ATOM 492 N TYR A 193 6.976 -7.052 -4.251 -0.36 0.02 N ATOM 493 CA TYR A 193 7.689 -8.311 -4.423 1.00 0.02 C ATOM 494 C TYR A 193 8.569 -8.603 -3.210 0.48 0.02 C ATOM 495 O TYR A 193 8.925 -7.695 -2.459 -0.48 0.02 O ATOM 496 CB TYR A 193 8.542 -8.223 -5.684 -0.20 0.02 C ATOM 497 CG TYR A 193 9.023 -9.552 -6.205 1.00 0.02 C ATOM 498 CD1 TYR A 193 8.258 -10.284 -7.098 -0.14 0.02 C ATOM 499 CD2 TYR A 193 10.250 -10.062 -5.814 -0.14 0.02 C ATOM 500 CE1 TYR A 193 8.702 -11.497 -7.588 -0.14 0.02 C ATOM 501 CE2 TYR A 193 10.706 -11.270 -6.300 -0.14 0.02 C ATOM 502 CZ TYR A 193 9.928 -11.985 -7.187 0.20 0.02 C ATOM 503 OH TYR A 193 10.379 -13.187 -7.680 -0.60 0.02 O ATOM 0 H TYR A 193 7.352 -6.286 -4.810 -0.36 0.02 H new ATOM 0 HA TYR A 193 6.969 -9.124 -4.518 1.00 0.02 H new ATOM 0 HB2 TYR A 193 7.964 -7.728 -6.465 -0.20 0.02 H new ATOM 0 HB3 TYR A 193 9.407 -7.592 -5.479 -0.20 0.02 H new ATOM 0 HD1 TYR A 193 7.300 -9.901 -7.416 -0.14 0.02 H new ATOM 0 HD2 TYR A 193 10.859 -9.505 -5.118 -0.14 0.02 H new ATOM 0 HE1 TYR A 193 8.093 -12.059 -8.280 -0.14 0.02 H new ATOM 0 HE2 TYR A 193 11.666 -11.654 -5.988 -0.14 0.02 H new ATOM 0 HH TYR A 193 11.313 -13.319 -7.415 -0.60 0.02 H new ATOM 513 N ASN A 194 8.908 -9.873 -3.017 -0.36 0.02 N ATOM 514 CA ASN A 194 9.736 -10.277 -1.885 1.00 0.02 C ATOM 515 C ASN A 194 10.950 -11.083 -2.337 0.48 0.02 C ATOM 516 O ASN A 194 10.810 -12.131 -2.967 -0.48 0.02 O ATOM 517 CB ASN A 194 8.910 -11.108 -0.904 -0.20 0.02 C ATOM 518 CG ASN A 194 9.295 -10.853 0.540 0.48 0.02 C ATOM 519 OD1 ASN A 194 9.850 -9.805 0.871 -0.48 0.02 O ATOM 520 ND2 ASN A 194 9.003 -11.814 1.409 -0.52 0.02 N ATOM 0 H ASN A 194 8.623 -10.639 -3.628 -0.36 0.02 H new ATOM 0 HA ASN A 194 10.092 -9.371 -1.395 1.00 0.02 H new ATOM 0 HB2 ASN A 194 7.853 -10.881 -1.040 -0.20 0.02 H new ATOM 0 HB3 ASN A 194 9.040 -12.166 -1.130 -0.20 0.02 H new ATOM 0 HD21 ASN A 194 9.239 -11.699 2.395 -0.52 0.02 H new ATOM 0 HD22 ASN A 194 8.542 -12.667 1.091 -0.52 0.02 H new ATOM 527 N LEU A 195 12.141 -10.594 -2.003 -0.36 0.02 N ATOM 528 CA LEU A 195 13.377 -11.276 -2.367 1.00 0.02 C ATOM 529 C LEU A 195 13.613 -12.491 -1.471 0.48 0.02 C ATOM 530 O LEU A 195 14.418 -13.364 -1.789 -0.48 0.02 O ATOM 531 CB LEU A 195 14.560 -10.311 -2.264 -0.20 0.02 C ATOM 532 CG LEU A 195 15.834 -10.768 -2.983 -0.10 0.02 C ATOM 533 CD1 LEU A 195 16.065 -9.943 -4.240 -0.30 0.02 C ATOM 534 CD2 LEU A 195 17.035 -10.673 -2.054 -0.30 0.02 C ATOM 0 H LEU A 195 12.275 -9.728 -1.481 -0.36 0.02 H new ATOM 0 HA LEU A 195 13.286 -11.622 -3.397 1.00 0.02 H new ATOM 0 HB2 LEU A 195 14.258 -9.346 -2.670 -0.20 0.02 H new ATOM 0 HB3 LEU A 195 14.792 -10.155 -1.210 -0.20 0.02 H new ATOM 0 HG LEU A 195 15.707 -11.810 -3.276 -0.10 0.02 H new ATOM 0 HD11 LEU A 195 16.974 -10.283 -4.736 -0.30 0.02 H new ATOM 0 HD12 LEU A 195 15.217 -10.062 -4.915 -0.30 0.02 H new ATOM 0 HD13 LEU A 195 16.169 -8.892 -3.971 -0.30 0.02 H new ATOM 0 HD21 LEU A 195 17.930 -11.002 -2.582 -0.30 0.02 H new ATOM 0 HD22 LEU A 195 17.163 -9.640 -1.730 -0.30 0.02 H new ATOM 0 HD23 LEU A 195 16.873 -11.309 -1.184 -0.30 0.02 H new ATOM 546 N LYS A 196 12.916 -12.535 -0.341 -0.36 0.02 N ATOM 547 CA LYS A 196 13.054 -13.635 0.600 1.00 0.02 C ATOM 548 C LYS A 196 12.650 -14.944 -0.048 0.48 0.02 C ATOM 549 O LYS A 196 13.284 -15.980 0.154 -0.48 0.02 O ATOM 550 CB LYS A 196 12.185 -13.379 1.827 -0.20 0.02 C ATOM 551 CG LYS A 196 12.635 -12.185 2.648 -0.20 0.02 C ATOM 552 CD LYS A 196 14.148 -12.079 2.698 -0.20 0.02 C ATOM 553 CE LYS A 196 14.603 -10.916 3.564 0.30 5.02 C ATOM 554 NZ LYS A 196 16.047 -11.014 3.913 -0.81 0.02 N ATOM 0 H LYS A 196 12.248 -11.818 -0.056 -0.36 0.02 H new ATOM 0 HA LYS A 196 14.099 -13.703 0.903 1.00 0.02 H new ATOM 0 HB2 LYS A 196 11.155 -13.222 1.507 -0.20 0.02 H new ATOM 0 HB3 LYS A 196 12.191 -14.267 2.459 -0.20 0.02 H new ATOM 0 HG2 LYS A 196 12.220 -11.272 2.221 -0.20 0.02 H new ATOM 0 HG3 LYS A 196 12.242 -12.271 3.661 -0.20 0.02 H new ATOM 0 HD2 LYS A 196 14.565 -13.008 3.088 -0.20 0.02 H new ATOM 0 HD3 LYS A 196 14.537 -11.954 1.688 -0.20 0.02 H new ATOM 0 HE2 LYS A 196 14.420 -9.979 3.039 0.30 5.02 H new ATOM 0 HE3 LYS A 196 14.010 -10.890 4.478 0.30 5.02 H new ATOM 0 HZ1 LYS A 196 16.317 -10.202 4.504 -0.81 0.02 H new ATOM 0 HZ2 LYS A 196 16.218 -11.896 4.437 -0.81 0.02 H new ATOM 0 HZ3 LYS A 196 16.616 -11.013 3.042 -0.81 0.02 H new ATOM 568 N SER A 197 11.579 -14.885 -0.822 -0.36 0.02 N ATOM 569 CA SER A 197 11.068 -16.064 -1.505 1.00 0.02 C ATOM 570 C SER A 197 11.073 -15.896 -3.018 0.48 0.02 C ATOM 571 O SER A 197 10.720 -16.819 -3.752 -0.48 0.02 O ATOM 572 CB SER A 197 9.654 -16.387 -1.020 0.08 0.02 C ATOM 573 OG SER A 197 9.650 -16.723 0.356 -0.68 0.02 O ATOM 0 H SER A 197 11.045 -14.033 -0.994 -0.36 0.02 H new ATOM 0 HA SER A 197 11.734 -16.892 -1.263 1.00 0.02 H new ATOM 0 HB2 SER A 197 9.003 -15.529 -1.190 0.08 0.02 H new ATOM 0 HB3 SER A 197 9.248 -17.215 -1.601 0.08 0.02 H new ATOM 0 HG SER A 197 8.734 -16.923 0.641 -0.68 0.02 H new ATOM 579 N LYS A 198 11.449 -14.713 -3.484 -0.36 0.02 N ATOM 580 CA LYS A 198 11.468 -14.432 -4.903 1.00 0.02 C ATOM 581 C LYS A 198 10.118 -14.705 -5.509 0.48 0.02 C ATOM 582 O LYS A 198 9.944 -15.565 -6.373 -0.48 0.02 O ATOM 583 CB LYS A 198 12.559 -15.208 -5.601 -0.20 0.02 C ATOM 584 CG LYS A 198 13.796 -14.369 -5.695 -0.20 0.02 C ATOM 585 CD LYS A 198 14.414 -14.189 -4.328 -0.20 0.02 C ATOM 586 CE LYS A 198 15.160 -15.435 -3.878 0.30 5.02 C ATOM 587 NZ LYS A 198 16.362 -15.697 -4.716 -0.81 0.02 N ATOM 0 H LYS A 198 11.745 -13.935 -2.895 -0.36 0.02 H new ATOM 0 HA LYS A 198 11.691 -13.374 -5.041 1.00 0.02 H new ATOM 0 HB2 LYS A 198 12.772 -16.126 -5.054 -0.20 0.02 H new ATOM 0 HB3 LYS A 198 12.230 -15.500 -6.598 -0.20 0.02 H new ATOM 0 HG2 LYS A 198 14.513 -14.841 -6.366 -0.20 0.02 H new ATOM 0 HG3 LYS A 198 13.552 -13.396 -6.122 -0.20 0.02 H new ATOM 0 HD2 LYS A 198 15.100 -13.342 -4.348 -0.20 0.02 H new ATOM 0 HD3 LYS A 198 13.634 -13.951 -3.605 -0.20 0.02 H new ATOM 0 HE2 LYS A 198 15.462 -15.321 -2.837 0.30 5.02 H new ATOM 0 HE3 LYS A 198 14.491 -16.295 -3.924 0.30 5.02 H new ATOM 0 HZ1 LYS A 198 17.000 -16.348 -4.214 -0.81 0.02 H new ATOM 0 HZ2 LYS A 198 16.070 -16.125 -5.618 -0.81 0.02 H new ATOM 0 HZ3 LYS A 198 16.857 -14.802 -4.902 -0.81 0.02 H new ATOM 601 N SER A 199 9.176 -13.939 -5.022 -0.36 0.02 N ATOM 602 CA SER A 199 7.793 -14.026 -5.463 1.00 0.02 C ATOM 603 C SER A 199 7.081 -12.697 -5.252 0.48 0.02 C ATOM 604 O SER A 199 7.523 -11.864 -4.460 -0.48 0.02 O ATOM 605 CB SER A 199 7.063 -15.141 -4.709 0.08 0.02 C ATOM 606 OG SER A 199 6.641 -16.164 -5.594 -0.68 0.02 O ATOM 0 H SER A 199 9.339 -13.232 -4.305 -0.36 0.02 H new ATOM 0 HA SER A 199 7.785 -14.259 -6.528 1.00 0.02 H new ATOM 0 HB2 SER A 199 7.722 -15.562 -3.949 0.08 0.02 H new ATOM 0 HB3 SER A 199 6.199 -14.727 -4.188 0.08 0.02 H new ATOM 0 HG SER A 199 6.179 -16.865 -5.088 -0.68 0.02 H new ATOM 612 N CYS A 200 5.977 -12.504 -5.960 -0.36 0.02 N ATOM 613 CA CYS A 200 5.207 -11.276 -5.842 1.00 0.02 C ATOM 614 C CYS A 200 4.328 -11.313 -4.600 0.48 0.02 C ATOM 615 O CYS A 200 3.890 -12.381 -4.171 -0.48 0.02 O ATOM 616 CB CYS A 200 4.341 -11.067 -7.084 0.20 0.02 C ATOM 617 SG CYS A 200 3.485 -9.461 -7.125 -0.20 0.02 S ATOM 0 H CYS A 200 5.596 -13.181 -6.621 -0.36 0.02 H new ATOM 0 HA CYS A 200 5.906 -10.444 -5.754 1.00 0.02 H new ATOM 0 HB2 CYS A 200 4.968 -11.156 -7.971 0.20 0.02 H new ATOM 0 HB3 CYS A 200 3.600 -11.864 -7.136 0.20 0.02 H new ATOM 622 N GLU A 201 4.054 -10.143 -4.038 -0.36 0.02 N ATOM 623 CA GLU A 201 3.207 -10.046 -2.863 1.00 0.02 C ATOM 624 C GLU A 201 2.421 -8.745 -2.899 0.48 0.02 C ATOM 625 O GLU A 201 2.825 -7.798 -3.550 -0.48 0.02 O ATOM 626 CB GLU A 201 4.050 -10.119 -1.588 -0.20 0.02 C ATOM 627 CG GLU A 201 4.083 -11.503 -0.959 -0.45 0.02 C ATOM 628 CD GLU A 201 4.947 -11.557 0.285 0.49 0.02 C ATOM 629 OE1 GLU A 201 6.002 -10.889 0.304 -0.62 0.02 O ATOM 630 OE2 GLU A 201 4.570 -12.267 1.240 -0.62 0.02 O ATOM 0 H GLU A 201 4.408 -9.249 -4.379 -0.36 0.02 H new ATOM 0 HA GLU A 201 2.509 -10.883 -2.863 1.00 0.02 H new ATOM 0 HB2 GLU A 201 5.069 -9.809 -1.818 -0.20 0.02 H new ATOM 0 HB3 GLU A 201 3.657 -9.408 -0.861 -0.20 0.02 H new ATOM 0 HG2 GLU A 201 3.068 -11.807 -0.705 -0.45 0.02 H new ATOM 0 HG3 GLU A 201 4.458 -12.221 -1.689 -0.45 0.02 H new ATOM 637 N ASP A 202 1.300 -8.707 -2.204 -0.36 0.02 N ATOM 638 CA ASP A 202 0.470 -7.528 -2.151 1.00 0.02 C ATOM 639 C ASP A 202 1.236 -6.379 -1.524 0.48 0.02 C ATOM 640 O ASP A 202 2.188 -6.579 -0.770 -0.48 0.02 O ATOM 641 CB ASP A 202 -0.812 -7.810 -1.362 -0.45 0.02 C ATOM 642 CG ASP A 202 -0.611 -7.754 0.142 0.49 0.02 C ATOM 643 OD1 ASP A 202 0.064 -8.653 0.685 -0.62 0.02 O ATOM 644 OD2 ASP A 202 -1.131 -6.810 0.774 -0.62 0.02 O ATOM 0 H ASP A 202 0.943 -9.494 -1.662 -0.36 0.02 H new ATOM 0 HA ASP A 202 0.193 -7.250 -3.168 1.00 0.02 H new ATOM 0 HB2 ASP A 202 -1.574 -7.085 -1.648 -0.45 0.02 H new ATOM 0 HB3 ASP A 202 -1.190 -8.795 -1.635 -0.45 0.02 H new ATOM 649 N ILE A 203 0.825 -5.184 -1.870 -0.36 0.02 N ATOM 650 CA ILE A 203 1.460 -3.978 -1.391 1.00 0.02 C ATOM 651 C ILE A 203 0.882 -3.511 -0.053 0.48 0.02 C ATOM 652 O ILE A 203 -0.177 -3.976 0.380 -0.48 0.02 O ATOM 653 CB ILE A 203 1.310 -2.889 -2.448 -0.10 0.02 C ATOM 654 CG1 ILE A 203 2.103 -1.640 -2.094 -0.20 0.02 C ATOM 655 CG2 ILE A 203 -0.148 -2.568 -2.649 -0.30 0.02 C ATOM 656 CD1 ILE A 203 2.466 -0.840 -3.314 -0.30 0.02 C ATOM 0 H ILE A 203 0.036 -5.018 -2.495 -0.36 0.02 H new ATOM 0 HA ILE A 203 2.515 -4.191 -1.218 1.00 0.02 H new ATOM 0 HB ILE A 203 1.721 -3.267 -3.384 -0.10 0.02 H new ATOM 0 HG12 ILE A 203 1.519 -1.020 -1.414 -0.20 0.02 H new ATOM 0 HG13 ILE A 203 3.012 -1.925 -1.564 -0.20 0.02 H new ATOM 0 HG21 ILE A 203 -0.248 -1.789 -3.405 -0.30 0.02 H new ATOM 0 HG22 ILE A 203 -0.676 -3.463 -2.978 -0.30 0.02 H new ATOM 0 HG23 ILE A 203 -0.577 -2.219 -1.710 -0.30 0.02 H new ATOM 0 HD11 ILE A 203 3.031 0.043 -3.015 -0.30 0.02 H new ATOM 0 HD12 ILE A 203 3.073 -1.451 -3.982 -0.30 0.02 H new ATOM 0 HD13 ILE A 203 1.557 -0.531 -3.830 -0.30 0.02 H new ATOM 668 N ASP A 204 1.601 -2.582 0.577 -0.36 0.02 N ATOM 669 CA ASP A 204 1.203 -2.013 1.863 1.00 0.02 C ATOM 670 C ASP A 204 0.481 -0.674 1.676 0.48 0.02 C ATOM 671 O ASP A 204 0.889 0.351 2.222 -0.48 0.02 O ATOM 672 CB ASP A 204 2.431 -1.835 2.760 -0.45 0.02 C ATOM 673 CG ASP A 204 2.501 -2.874 3.863 0.49 0.02 C ATOM 674 OD1 ASP A 204 1.455 -3.480 4.176 -0.62 0.02 O ATOM 675 OD2 ASP A 204 3.602 -3.081 4.414 -0.62 0.02 O ATOM 0 H ASP A 204 2.474 -2.204 0.210 -0.36 0.02 H new ATOM 0 HA ASP A 204 0.509 -2.704 2.342 1.00 0.02 H new ATOM 0 HB2 ASP A 204 3.333 -1.895 2.151 -0.45 0.02 H new ATOM 0 HB3 ASP A 204 2.411 -0.840 3.204 -0.45 0.02 H new ATOM 680 N GLU A 205 -0.588 -0.701 0.889 -0.36 0.02 N ATOM 681 CA GLU A 205 -1.381 0.490 0.597 1.00 0.02 C ATOM 682 C GLU A 205 -1.806 1.253 1.855 0.48 0.02 C ATOM 683 O GLU A 205 -1.946 2.471 1.819 -0.48 0.02 O ATOM 684 CB GLU A 205 -2.632 0.106 -0.186 -0.20 0.02 C ATOM 685 CG GLU A 205 -2.343 -0.546 -1.525 -0.45 0.02 C ATOM 686 CD GLU A 205 -3.080 -1.862 -1.706 0.49 0.02 C ATOM 687 OE1 GLU A 205 -2.583 -2.900 -1.219 -0.62 0.02 O ATOM 688 OE2 GLU A 205 -4.157 -1.853 -2.333 -0.62 0.02 O ATOM 0 H GLU A 205 -0.930 -1.548 0.435 -0.36 0.02 H new ATOM 0 HA GLU A 205 -0.740 1.148 0.010 1.00 0.02 H new ATOM 0 HB2 GLU A 205 -3.231 -0.576 0.417 -0.20 0.02 H new ATOM 0 HB3 GLU A 205 -3.234 0.999 -0.350 -0.20 0.02 H new ATOM 0 HG2 GLU A 205 -2.625 0.137 -2.326 -0.45 0.02 H new ATOM 0 HG3 GLU A 205 -1.271 -0.719 -1.617 -0.45 0.02 H new ATOM 695 N CYS A 206 -2.028 0.546 2.959 -0.36 0.02 N ATOM 696 CA CYS A 206 -2.461 1.209 4.192 1.00 0.02 C ATOM 697 C CYS A 206 -1.287 1.545 5.103 0.48 0.02 C ATOM 698 O CYS A 206 -1.347 2.504 5.873 -0.48 0.02 O ATOM 699 CB CYS A 206 -3.509 0.371 4.934 0.20 0.02 C ATOM 700 SG CYS A 206 -2.849 -0.904 6.058 -0.20 0.02 S ATOM 0 H CYS A 206 -1.919 -0.466 3.030 -0.36 0.02 H new ATOM 0 HA CYS A 206 -2.924 2.152 3.901 1.00 0.02 H new ATOM 0 HB2 CYS A 206 -4.144 1.044 5.510 0.20 0.02 H new ATOM 0 HB3 CYS A 206 -4.147 -0.116 4.196 0.20 0.02 H new ATOM 705 N SER A 207 -0.220 0.768 5.008 -0.36 0.02 N ATOM 706 CA SER A 207 0.962 1.013 5.826 1.00 0.02 C ATOM 707 C SER A 207 1.500 2.414 5.554 0.48 0.02 C ATOM 708 O SER A 207 2.209 2.994 6.377 -0.48 0.02 O ATOM 709 CB SER A 207 2.039 -0.041 5.547 0.08 0.02 C ATOM 710 OG SER A 207 3.106 0.496 4.781 -0.68 0.02 O ATOM 0 H SER A 207 -0.145 -0.032 4.379 -0.36 0.02 H new ATOM 0 HA SER A 207 0.683 0.941 6.877 1.00 0.02 H new ATOM 0 HB2 SER A 207 2.425 -0.427 6.491 0.08 0.02 H new ATOM 0 HB3 SER A 207 1.596 -0.883 5.016 0.08 0.02 H new ATOM 0 HG SER A 207 3.799 -0.187 4.662 -0.68 0.02 H new ATOM 716 N GLU A 208 1.171 2.938 4.376 -0.36 0.02 N ATOM 717 CA GLU A 208 1.626 4.254 3.957 1.00 0.02 C ATOM 718 C GLU A 208 0.805 5.363 4.607 0.48 0.02 C ATOM 719 O GLU A 208 1.240 6.513 4.652 -0.48 0.02 O ATOM 720 CB GLU A 208 1.521 4.358 2.438 -0.20 0.02 C ATOM 721 CG GLU A 208 2.666 3.683 1.703 -0.45 0.02 C ATOM 722 CD GLU A 208 3.447 4.643 0.828 0.49 0.02 C ATOM 723 OE1 GLU A 208 3.600 5.818 1.224 -0.62 0.02 O ATOM 724 OE2 GLU A 208 3.905 4.221 -0.255 -0.62 0.02 O ATOM 0 H GLU A 208 0.584 2.462 3.690 -0.36 0.02 H new ATOM 0 HA GLU A 208 2.662 4.378 4.273 1.00 0.02 H new ATOM 0 HB2 GLU A 208 0.580 3.912 2.116 -0.20 0.02 H new ATOM 0 HB3 GLU A 208 1.489 5.410 2.155 -0.20 0.02 H new ATOM 0 HG2 GLU A 208 3.341 3.229 2.429 -0.45 0.02 H new ATOM 0 HG3 GLU A 208 2.271 2.876 1.087 -0.45 0.02 H new ATOM 731 N ASN A 209 -0.381 5.007 5.112 -0.36 0.02 N ATOM 732 CA ASN A 209 -1.281 5.959 5.774 1.00 0.02 C ATOM 733 C ASN A 209 -2.391 6.425 4.836 0.48 0.02 C ATOM 734 O ASN A 209 -2.447 7.595 4.454 -0.48 0.02 O ATOM 735 CB ASN A 209 -0.520 7.171 6.326 -0.20 0.02 C ATOM 736 CG ASN A 209 -1.296 7.898 7.408 0.48 0.02 C ATOM 737 OD1 ASN A 209 -2.369 7.457 7.820 -0.48 0.02 O ATOM 738 ND2 ASN A 209 -0.755 9.018 7.873 -0.52 0.02 N ATOM 0 H ASN A 209 -0.744 4.054 5.074 -0.36 0.02 H new ATOM 0 HA ASN A 209 -1.734 5.429 6.611 1.00 0.02 H new ATOM 0 HB2 ASN A 209 0.438 6.842 6.729 -0.20 0.02 H new ATOM 0 HB3 ASN A 209 -0.303 7.862 5.512 -0.20 0.02 H new ATOM 0 HD21 ASN A 209 -1.231 9.550 8.601 -0.52 0.02 H new ATOM 0 HD22 ASN A 209 0.137 9.346 7.502 -0.52 0.02 H new ATOM 745 N MET A 210 -3.287 5.506 4.488 -0.36 0.02 N ATOM 746 CA MET A 210 -4.419 5.823 3.614 1.00 0.02 C ATOM 747 C MET A 210 -5.728 5.443 4.261 0.48 0.02 C ATOM 748 O MET A 210 -6.782 5.962 3.894 -0.48 0.02 O ATOM 749 CB MET A 210 -4.291 5.126 2.258 -0.20 0.02 C ATOM 750 CG MET A 210 -2.870 5.055 1.729 -0.11 5.02 C ATOM 751 SD MET A 210 -2.492 6.379 0.566 -0.17 0.02 S ATOM 752 CE MET A 210 -2.267 5.437 -0.942 -0.21 5.02 C ATOM 0 H MET A 210 -3.254 4.534 4.797 -0.36 0.02 H new ATOM 0 HA MET A 210 -4.406 6.901 3.452 1.00 0.02 H new ATOM 0 HB2 MET A 210 -4.687 4.114 2.343 -0.20 0.02 H new ATOM 0 HB3 MET A 210 -4.912 5.651 1.532 -0.20 0.02 H new ATOM 0 HG2 MET A 210 -2.173 5.102 2.566 -0.11 5.02 H new ATOM 0 HG3 MET A 210 -2.717 4.093 1.240 -0.11 5.02 H new ATOM 0 HE1 MET A 210 -2.026 6.114 -1.761 -0.21 5.02 H new ATOM 0 HE2 MET A 210 -1.452 4.725 -0.808 -0.21 5.02 H new ATOM 0 HE3 MET A 210 -3.185 4.898 -1.175 -0.21 5.02 H new ATOM 762 N CYS A 211 -5.671 4.542 5.221 -0.36 0.02 N ATOM 763 CA CYS A 211 -6.880 4.121 5.894 1.00 0.02 C ATOM 764 C CYS A 211 -6.991 4.738 7.271 0.48 0.02 C ATOM 765 O CYS A 211 -6.002 4.882 7.990 -0.48 0.02 O ATOM 766 CB CYS A 211 -6.956 2.600 5.979 0.20 0.02 C ATOM 767 SG CYS A 211 -7.272 1.785 4.385 -0.20 0.02 S ATOM 0 H CYS A 211 -4.815 4.094 5.548 -0.36 0.02 H new ATOM 0 HA CYS A 211 -7.724 4.474 5.301 1.00 0.02 H new ATOM 0 HB2 CYS A 211 -6.020 2.222 6.389 0.20 0.02 H new ATOM 0 HB3 CYS A 211 -7.745 2.324 6.679 0.20 0.02 H new ATOM 772 N ALA A 212 -8.206 5.140 7.609 -0.36 0.02 N ATOM 773 CA ALA A 212 -8.455 5.789 8.875 1.00 0.02 C ATOM 774 C ALA A 212 -8.678 4.799 10.026 0.48 0.02 C ATOM 775 O ALA A 212 -7.758 4.502 10.789 -0.48 0.02 O ATOM 776 CB ALA A 212 -9.634 6.747 8.749 -0.30 0.02 C ATOM 0 H ALA A 212 -9.031 5.026 7.021 -0.36 0.02 H new ATOM 0 HA ALA A 212 -7.556 6.351 9.127 1.00 0.02 H new ATOM 0 HB1 ALA A 212 -9.814 7.231 9.709 -0.30 0.02 H new ATOM 0 HB2 ALA A 212 -9.409 7.504 7.997 -0.30 0.02 H new ATOM 0 HB3 ALA A 212 -10.523 6.192 8.451 -0.30 0.02 H new ATOM 782 N GLN A 213 -9.913 4.325 10.162 -0.36 0.02 N ATOM 783 CA GLN A 213 -10.288 3.403 11.236 1.00 0.02 C ATOM 784 C GLN A 213 -9.484 2.105 11.220 0.48 0.02 C ATOM 785 O GLN A 213 -8.609 1.895 12.061 -0.48 0.02 O ATOM 786 CB GLN A 213 -11.776 3.085 11.145 -0.20 0.02 C ATOM 787 CG GLN A 213 -12.643 4.016 11.972 -0.20 0.02 C ATOM 788 CD GLN A 213 -12.522 3.750 13.460 0.48 0.02 C ATOM 789 OE1 GLN A 213 -12.233 4.656 14.243 -0.48 0.02 O ATOM 790 NE2 GLN A 213 -12.743 2.503 13.859 -0.52 0.02 N ATOM 0 H GLN A 213 -10.681 4.566 9.535 -0.36 0.02 H new ATOM 0 HA GLN A 213 -10.061 3.905 12.177 1.00 0.02 H new ATOM 0 HB2 GLN A 213 -12.089 3.140 10.102 -0.20 0.02 H new ATOM 0 HB3 GLN A 213 -11.941 2.059 11.474 -0.20 0.02 H new ATOM 0 HG2 GLN A 213 -12.361 5.049 11.766 -0.20 0.02 H new ATOM 0 HG3 GLN A 213 -13.684 3.903 11.669 -0.20 0.02 H new ATOM 0 HE21 GLN A 213 -12.980 1.783 13.176 -0.52 0.02 H new ATOM 0 HE22 GLN A 213 -12.676 2.265 14.848 -0.52 0.02 H new ATOM 799 N LEU A 214 -9.794 1.235 10.267 -0.36 0.02 N ATOM 800 CA LEU A 214 -9.118 -0.047 10.139 1.00 0.02 C ATOM 801 C LEU A 214 -8.698 -0.286 8.714 0.48 0.02 C ATOM 802 O LEU A 214 -9.483 -0.060 7.800 -0.48 0.02 O ATOM 803 CB LEU A 214 -10.052 -1.160 10.562 -0.20 0.02 C ATOM 804 CG LEU A 214 -10.352 -1.195 12.045 -0.10 0.02 C ATOM 805 CD1 LEU A 214 -9.049 -1.206 12.827 -0.30 0.02 C ATOM 806 CD2 LEU A 214 -11.219 -0.012 12.433 -0.30 0.02 C ATOM 0 H LEU A 214 -10.517 1.398 9.566 -0.36 0.02 H new ATOM 0 HA LEU A 214 -8.234 -0.032 10.777 1.00 0.02 H new ATOM 0 HB2 LEU A 214 -10.990 -1.058 10.016 -0.20 0.02 H new ATOM 0 HB3 LEU A 214 -9.616 -2.115 10.269 -0.20 0.02 H new ATOM 0 HG LEU A 214 -10.905 -2.103 12.284 -0.10 0.02 H new ATOM 0 HD11 LEU A 214 -9.266 -1.231 13.895 -0.30 0.02 H new ATOM 0 HD12 LEU A 214 -8.468 -2.087 12.554 -0.30 0.02 H new ATOM 0 HD13 LEU A 214 -8.477 -0.308 12.594 -0.30 0.02 H new ATOM 0 HD21 LEU A 214 -11.428 -0.049 13.502 -0.30 0.02 H new ATOM 0 HD22 LEU A 214 -10.696 0.915 12.197 -0.30 0.02 H new ATOM 0 HD23 LEU A 214 -12.157 -0.051 11.879 -0.30 0.02 H new ATOM 818 N CYS A 215 -7.455 -0.696 8.495 -0.36 0.02 N ATOM 819 CA CYS A 215 -6.997 -0.886 7.141 1.00 0.02 C ATOM 820 C CYS A 215 -6.827 -2.349 6.717 0.48 0.02 C ATOM 821 O CYS A 215 -5.737 -2.908 6.819 -0.48 0.02 O ATOM 822 CB CYS A 215 -5.684 -0.126 6.937 0.20 0.02 C ATOM 823 SG CYS A 215 -4.183 -0.945 7.597 -0.20 0.02 S ATOM 0 H CYS A 215 -6.768 -0.897 9.222 -0.36 0.02 H new ATOM 0 HA CYS A 215 -7.785 -0.491 6.500 1.00 0.02 H new ATOM 0 HB2 CYS A 215 -5.544 0.042 5.869 0.20 0.02 H new ATOM 0 HB3 CYS A 215 -5.776 0.854 7.404 0.20 0.02 H new ATOM 828 N VAL A 216 -7.874 -2.951 6.156 -0.36 0.02 N ATOM 829 CA VAL A 216 -7.738 -4.305 5.641 1.00 0.02 C ATOM 830 C VAL A 216 -7.332 -4.188 4.198 0.48 0.02 C ATOM 831 O VAL A 216 -8.167 -4.028 3.308 -0.48 0.02 O ATOM 832 CB VAL A 216 -9.016 -5.158 5.717 -0.10 0.02 C ATOM 833 CG1 VAL A 216 -9.086 -6.166 4.560 -0.30 0.02 C ATOM 834 CG2 VAL A 216 -9.104 -5.889 7.049 -0.30 0.02 C ATOM 0 H VAL A 216 -8.799 -2.535 6.050 -0.36 0.02 H new ATOM 0 HA VAL A 216 -7.004 -4.814 6.265 1.00 0.02 H new ATOM 0 HB VAL A 216 -9.864 -4.479 5.632 -0.10 0.02 H new ATOM 0 HG11 VAL A 216 -10.001 -6.753 4.643 -0.30 0.02 H new ATOM 0 HG12 VAL A 216 -9.083 -5.631 3.610 -0.30 0.02 H new ATOM 0 HG13 VAL A 216 -8.223 -6.831 4.604 -0.30 0.02 H new ATOM 0 HG21 VAL A 216 -10.016 -6.485 7.077 -0.30 0.02 H new ATOM 0 HG22 VAL A 216 -8.240 -6.543 7.163 -0.30 0.02 H new ATOM 0 HG23 VAL A 216 -9.119 -5.163 7.862 -0.30 0.02 H new ATOM 844 N ASN A 217 -6.056 -4.238 3.969 -0.36 0.02 N ATOM 845 CA ASN A 217 -5.552 -4.119 2.633 1.00 0.02 C ATOM 846 C ASN A 217 -5.440 -5.499 2.001 0.48 0.02 C ATOM 847 O ASN A 217 -4.532 -6.257 2.346 -0.48 0.02 O ATOM 848 CB ASN A 217 -4.202 -3.414 2.651 -0.20 0.02 C ATOM 849 CG ASN A 217 -3.521 -3.435 1.306 0.48 0.02 C ATOM 850 OD1 ASN A 217 -4.105 -3.845 0.303 -0.48 0.02 O ATOM 851 ND2 ASN A 217 -2.285 -2.979 1.279 -0.52 0.02 N ATOM 0 H ASN A 217 -5.344 -4.360 4.689 -0.36 0.02 H new ATOM 0 HA ASN A 217 -6.240 -3.523 2.034 1.00 0.02 H new ATOM 0 HB2 ASN A 217 -4.340 -2.380 2.969 -0.20 0.02 H new ATOM 0 HB3 ASN A 217 -3.557 -3.891 3.389 -0.20 0.02 H new ATOM 0 HD21 ASN A 217 -1.769 -2.955 0.399 -0.52 0.02 H new ATOM 0 HD22 ASN A 217 -1.844 -2.650 2.138 -0.52 0.02 H new ATOM 858 N TYR A 218 -6.362 -5.859 1.099 -0.36 0.02 N ATOM 859 CA TYR A 218 -6.301 -7.179 0.503 1.00 0.02 C ATOM 860 C TYR A 218 -5.345 -7.197 -0.666 0.48 0.02 C ATOM 861 O TYR A 218 -4.883 -6.147 -1.126 -0.48 0.02 O ATOM 862 CB TYR A 218 -7.697 -7.684 0.092 -0.20 0.02 C ATOM 863 CG TYR A 218 -8.540 -6.722 -0.719 1.00 0.02 C ATOM 864 CD1 TYR A 218 -8.396 -6.626 -2.101 -0.14 0.02 C ATOM 865 CD2 TYR A 218 -9.511 -5.940 -0.106 -0.14 0.02 C ATOM 866 CE1 TYR A 218 -9.195 -5.775 -2.844 -0.14 0.02 C ATOM 867 CE2 TYR A 218 -10.309 -5.083 -0.840 -0.14 0.02 C ATOM 868 CZ TYR A 218 -10.149 -5.005 -2.209 0.20 0.02 C ATOM 869 OH TYR A 218 -10.945 -4.157 -2.944 -0.60 0.02 O ATOM 0 H TYR A 218 -7.131 -5.270 0.780 -0.36 0.02 H new ATOM 0 HA TYR A 218 -5.922 -7.865 1.260 1.00 0.02 H new ATOM 0 HB2 TYR A 218 -7.575 -8.602 -0.483 -0.20 0.02 H new ATOM 0 HB3 TYR A 218 -8.248 -7.945 0.996 -0.20 0.02 H new ATOM 0 HD1 TYR A 218 -7.649 -7.225 -2.601 -0.14 0.02 H new ATOM 0 HD2 TYR A 218 -9.645 -6.003 0.964 -0.14 0.02 H new ATOM 0 HE1 TYR A 218 -9.073 -5.713 -3.915 -0.14 0.02 H new ATOM 0 HE2 TYR A 218 -11.054 -4.477 -0.345 -0.14 0.02 H new ATOM 0 HH TYR A 218 -11.564 -3.689 -2.346 -0.60 0.02 H new ATOM 879 N PRO A 219 -4.986 -8.396 -1.143 -0.36 0.02 N ATOM 880 CA PRO A 219 -4.051 -8.529 -2.236 1.00 0.02 C ATOM 881 C PRO A 219 -4.399 -7.611 -3.404 0.48 0.02 C ATOM 882 O PRO A 219 -5.313 -7.894 -4.178 -0.48 0.02 O ATOM 883 CB PRO A 219 -4.151 -10.007 -2.651 -0.20 0.02 C ATOM 884 CG PRO A 219 -5.275 -10.581 -1.849 -0.20 0.02 C ATOM 885 CD PRO A 219 -5.413 -9.708 -0.638 0.06 0.02 C ATOM 0 HA PRO A 219 -3.043 -8.243 -1.937 1.00 0.02 H new ATOM 0 HB2 PRO A 219 -4.345 -10.101 -3.719 -0.20 0.02 H new ATOM 0 HB3 PRO A 219 -3.218 -10.534 -2.449 -0.20 0.02 H new ATOM 0 HG2 PRO A 219 -6.199 -10.594 -2.427 -0.20 0.02 H new ATOM 0 HG3 PRO A 219 -5.063 -11.612 -1.564 -0.20 0.02 H new ATOM 0 HD2 PRO A 219 -6.438 -9.687 -0.268 0.06 0.02 H new ATOM 0 HD3 PRO A 219 -4.784 -10.051 0.184 0.06 0.02 H new ATOM 893 N GLY A 220 -3.656 -6.515 -3.530 -0.36 0.02 N ATOM 894 CA GLY A 220 -3.889 -5.581 -4.610 -0.10 0.02 C ATOM 895 C GLY A 220 -4.687 -4.362 -4.192 0.48 0.02 C ATOM 896 O GLY A 220 -4.166 -3.250 -4.187 -0.48 0.02 O ATOM 0 H GLY A 220 -2.896 -6.259 -2.900 -0.36 0.02 H new ATOM 0 HA2 GLY A 220 -2.930 -5.257 -5.013 -0.10 0.02 H new ATOM 0 HA3 GLY A 220 -4.417 -6.093 -5.415 -0.10 0.02 H new ATOM 900 N GLY A 221 -5.957 -4.568 -3.863 -0.36 0.02 N ATOM 901 CA GLY A 221 -6.812 -3.463 -3.464 -0.10 0.02 C ATOM 902 C GLY A 221 -7.039 -3.375 -1.975 0.48 0.02 C ATOM 903 O GLY A 221 -7.724 -4.212 -1.387 -0.48 0.02 O ATOM 0 H GLY A 221 -6.411 -5.481 -3.865 -0.36 0.02 H new ATOM 0 HA2 GLY A 221 -6.369 -2.529 -3.810 -0.10 0.02 H new ATOM 0 HA3 GLY A 221 -7.776 -3.563 -3.964 -0.10 0.02 H new ATOM 907 N TYR A 222 -6.449 -2.393 -1.333 -0.36 0.02 N ATOM 908 CA TYR A 222 -6.614 -2.273 0.092 1.00 0.02 C ATOM 909 C TYR A 222 -8.045 -1.882 0.461 0.48 0.02 C ATOM 910 O TYR A 222 -8.904 -1.737 -0.408 -0.48 0.02 O ATOM 911 CB TYR A 222 -5.631 -1.266 0.655 -0.20 0.02 C ATOM 912 CG TYR A 222 -5.925 0.139 0.222 1.00 0.02 C ATOM 913 CD1 TYR A 222 -5.497 0.603 -1.008 -0.14 0.02 C ATOM 914 CD2 TYR A 222 -6.632 0.994 1.045 -0.14 0.02 C ATOM 915 CE1 TYR A 222 -5.763 1.897 -1.411 -0.14 0.02 C ATOM 916 CE2 TYR A 222 -6.906 2.291 0.656 -0.14 0.02 C ATOM 917 CZ TYR A 222 -6.468 2.739 -0.574 0.20 0.02 C ATOM 918 OH TYR A 222 -6.737 4.029 -0.967 -0.60 0.02 O ATOM 0 H TYR A 222 -5.862 -1.680 -1.766 -0.36 0.02 H new ATOM 0 HA TYR A 222 -6.412 -3.250 0.532 1.00 0.02 H new ATOM 0 HB2 TYR A 222 -5.649 -1.317 1.744 -0.20 0.02 H new ATOM 0 HB3 TYR A 222 -4.623 -1.535 0.340 -0.20 0.02 H new ATOM 0 HD1 TYR A 222 -4.947 -0.056 -1.663 -0.14 0.02 H new ATOM 0 HD2 TYR A 222 -6.976 0.643 2.007 -0.14 0.02 H new ATOM 0 HE1 TYR A 222 -5.422 2.248 -2.374 -0.14 0.02 H new ATOM 0 HE2 TYR A 222 -7.459 2.950 1.309 -0.14 0.02 H new ATOM 0 HH TYR A 222 -7.242 4.487 -0.263 -0.60 0.02 H new ATOM 928 N THR A 223 -8.288 -1.704 1.758 -0.36 0.02 N ATOM 929 CA THR A 223 -9.610 -1.321 2.239 1.00 0.02 C ATOM 930 C THR A 223 -9.526 -0.703 3.629 0.48 0.02 C ATOM 931 O THR A 223 -8.644 -1.035 4.421 -0.48 0.02 O ATOM 932 CB THR A 223 -10.541 -2.539 2.223 0.18 0.02 C ATOM 933 OG1 THR A 223 -11.013 -2.780 0.912 -0.68 0.02 O ATOM 934 CG2 THR A 223 -11.752 -2.410 3.117 -0.30 0.02 C ATOM 0 H THR A 223 -7.588 -1.819 2.491 -0.36 0.02 H new ATOM 0 HA THR A 223 -10.023 -0.563 1.573 1.00 0.02 H new ATOM 0 HB THR A 223 -9.930 -3.360 2.599 0.18 0.02 H new ATOM 0 HG1 THR A 223 -10.468 -2.278 0.271 -0.68 0.02 H new ATOM 0 HG21 THR A 223 -12.355 -3.315 3.045 -0.30 0.02 H new ATOM 0 HG22 THR A 223 -11.429 -2.270 4.149 -0.30 0.02 H new ATOM 0 HG23 THR A 223 -12.346 -1.552 2.803 -0.30 0.02 H new ATOM 942 N CYS A 224 -10.452 0.206 3.907 -0.36 0.02 N ATOM 943 CA CYS A 224 -10.496 0.890 5.189 1.00 0.02 C ATOM 944 C CYS A 224 -11.867 0.734 5.836 0.48 0.02 C ATOM 945 O CYS A 224 -12.827 1.382 5.422 -0.48 0.02 O ATOM 946 CB CYS A 224 -10.177 2.376 5.003 0.20 0.02 C ATOM 947 SG CYS A 224 -8.938 2.719 3.709 -0.20 0.02 S ATOM 0 H CYS A 224 -11.186 0.486 3.256 -0.36 0.02 H new ATOM 0 HA CYS A 224 -9.749 0.441 5.843 1.00 0.02 H new ATOM 0 HB2 CYS A 224 -11.098 2.906 4.758 0.20 0.02 H new ATOM 0 HB3 CYS A 224 -9.819 2.780 5.950 0.20 0.02 H new ATOM 952 N TYR A 225 -11.960 -0.112 6.862 -0.36 0.02 N ATOM 953 CA TYR A 225 -13.231 -0.307 7.547 1.00 0.02 C ATOM 954 C TYR A 225 -13.316 0.573 8.782 0.48 0.02 C ATOM 955 O TYR A 225 -12.330 0.794 9.483 -0.48 0.02 O ATOM 956 CB TYR A 225 -13.509 -1.775 7.888 -0.20 0.02 C ATOM 957 CG TYR A 225 -12.368 -2.535 8.520 1.00 0.02 C ATOM 958 CD1 TYR A 225 -11.203 -2.804 7.818 -0.14 0.02 C ATOM 959 CD2 TYR A 225 -12.480 -3.019 9.815 -0.14 0.02 C ATOM 960 CE1 TYR A 225 -10.184 -3.531 8.381 -0.14 0.02 C ATOM 961 CE2 TYR A 225 -11.458 -3.748 10.394 -0.14 0.02 C ATOM 962 CZ TYR A 225 -10.312 -4.005 9.671 0.20 0.02 C ATOM 963 OH TYR A 225 -9.292 -4.734 10.238 -0.60 0.02 O ATOM 0 H TYR A 225 -11.184 -0.663 7.230 -0.36 0.02 H new ATOM 0 HA TYR A 225 -14.013 -0.006 6.850 1.00 0.02 H new ATOM 0 HB2 TYR A 225 -14.364 -1.815 8.563 -0.20 0.02 H new ATOM 0 HB3 TYR A 225 -13.801 -2.291 6.973 -0.20 0.02 H new ATOM 0 HD1 TYR A 225 -11.095 -2.434 6.809 -0.14 0.02 H new ATOM 0 HD2 TYR A 225 -13.380 -2.823 10.380 -0.14 0.02 H new ATOM 0 HE1 TYR A 225 -9.285 -3.731 7.817 -0.14 0.02 H new ATOM 0 HE2 TYR A 225 -11.556 -4.114 11.405 -0.14 0.02 H new ATOM 0 HH TYR A 225 -9.541 -4.991 11.150 -0.60 0.02 H new ATOM 973 N CYS A 226 -14.501 1.119 8.992 -0.36 0.02 N ATOM 974 CA CYS A 226 -14.755 2.042 10.088 1.00 0.02 C ATOM 975 C CYS A 226 -15.758 1.474 11.085 0.48 0.02 C ATOM 976 O CYS A 226 -16.197 0.332 10.949 -0.48 0.02 O ATOM 977 CB CYS A 226 -15.267 3.340 9.489 0.20 0.02 C ATOM 978 SG CYS A 226 -14.485 3.726 7.888 -0.20 0.02 S ATOM 0 H CYS A 226 -15.316 0.936 8.407 -0.36 0.02 H new ATOM 0 HA CYS A 226 -13.832 2.213 10.643 1.00 0.02 H new ATOM 0 HB2 CYS A 226 -16.347 3.274 9.356 0.20 0.02 H new ATOM 0 HB3 CYS A 226 -15.081 4.157 10.187 0.20 0.02 H new ATOM 983 N ASP A 227 -16.096 2.268 12.101 -0.36 0.02 N ATOM 984 CA ASP A 227 -17.026 1.833 13.135 1.00 0.02 C ATOM 985 C ASP A 227 -16.386 0.770 14.023 0.48 0.02 C ATOM 986 O ASP A 227 -16.625 -0.425 13.848 -0.48 0.02 O ATOM 987 CB ASP A 227 -18.313 1.290 12.508 -0.45 0.02 C ATOM 988 CG ASP A 227 -19.291 0.762 13.541 0.49 0.02 C ATOM 989 OD1 ASP A 227 -19.333 1.317 14.658 -0.62 0.02 O ATOM 990 OD2 ASP A 227 -20.014 -0.208 13.232 -0.62 0.02 O ATOM 0 H ASP A 227 -15.738 3.215 12.227 -0.36 0.02 H new ATOM 0 HA ASP A 227 -17.275 2.697 13.751 1.00 0.02 H new ATOM 0 HB2 ASP A 227 -18.792 2.081 11.931 -0.45 0.02 H new ATOM 0 HB3 ASP A 227 -18.063 0.492 11.809 -0.45 0.02 H new ATOM 995 N GLY A 228 -15.571 1.213 14.975 -0.36 0.02 N ATOM 996 CA GLY A 228 -14.910 0.287 15.875 -0.10 0.02 C ATOM 997 C GLY A 228 -14.739 0.853 17.270 0.48 0.02 C ATOM 998 O GLY A 228 -15.586 0.649 18.139 -0.48 0.02 O ATOM 0 H GLY A 228 -15.357 2.197 15.139 -0.36 0.02 H new ATOM 0 HA2 GLY A 228 -15.488 -0.636 15.929 -0.10 0.02 H new ATOM 0 HA3 GLY A 228 -13.932 0.028 15.470 -0.10 0.02 H new ATOM 1002 N LYS A 229 -13.636 1.563 17.487 -0.36 0.02 N ATOM 1003 CA LYS A 229 -13.350 2.158 18.789 1.00 0.02 C ATOM 1004 C LYS A 229 -14.495 3.055 19.255 0.48 0.02 C ATOM 1005 O LYS A 229 -15.008 2.893 20.363 -0.48 0.02 O ATOM 1006 CB LYS A 229 -12.046 2.960 18.736 -0.20 0.02 C ATOM 1007 CG LYS A 229 -11.886 3.796 17.475 -0.20 0.02 C ATOM 1008 CD LYS A 229 -11.835 5.282 17.791 -0.20 0.02 C ATOM 1009 CE LYS A 229 -11.118 6.059 16.699 0.30 5.02 C ATOM 1010 NZ LYS A 229 -10.600 7.364 17.194 -0.81 0.02 N ATOM 0 H LYS A 229 -12.925 1.741 16.778 -0.36 0.02 H new ATOM 0 HA LYS A 229 -13.241 1.345 19.507 1.00 0.02 H new ATOM 0 HB2 LYS A 229 -12.000 3.618 19.604 -0.20 0.02 H new ATOM 0 HB3 LYS A 229 -11.204 2.272 18.813 -0.20 0.02 H new ATOM 0 HG2 LYS A 229 -10.973 3.502 16.957 -0.20 0.02 H new ATOM 0 HG3 LYS A 229 -12.716 3.596 16.797 -0.20 0.02 H new ATOM 0 HD2 LYS A 229 -12.849 5.666 17.906 -0.20 0.02 H new ATOM 0 HD3 LYS A 229 -11.326 5.436 18.743 -0.20 0.02 H new ATOM 0 HE2 LYS A 229 -10.291 5.463 16.313 0.30 5.02 H new ATOM 0 HE3 LYS A 229 -11.802 6.232 15.868 0.30 5.02 H new ATOM 0 HZ1 LYS A 229 -10.118 7.863 16.419 -0.81 0.02 H new ATOM 0 HZ2 LYS A 229 -11.392 7.943 17.539 -0.81 0.02 H new ATOM 0 HZ3 LYS A 229 -9.928 7.199 17.970 -0.81 0.02 H new ATOM 1024 N LYS A 230 -14.892 4.000 18.408 -0.36 0.02 N ATOM 1025 CA LYS A 230 -15.976 4.917 18.744 1.00 0.02 C ATOM 1026 C LYS A 230 -17.335 4.279 18.472 0.48 0.02 C ATOM 1027 O LYS A 230 -18.304 4.530 19.188 -0.48 0.02 O ATOM 1028 CB LYS A 230 -15.836 6.220 17.957 -0.20 0.02 C ATOM 1029 CG LYS A 230 -16.932 7.232 18.250 -0.20 0.02 C ATOM 1030 CD LYS A 230 -16.474 8.651 17.953 -0.20 0.02 C ATOM 1031 CE LYS A 230 -17.019 9.149 16.623 0.30 5.02 C ATOM 1032 NZ LYS A 230 -15.960 9.790 15.794 -0.81 0.02 N ATOM 0 H LYS A 230 -14.481 4.151 17.487 -0.36 0.02 H new ATOM 0 HA LYS A 230 -15.911 5.141 19.809 1.00 0.02 H new ATOM 0 HB2 LYS A 230 -14.869 6.669 18.184 -0.20 0.02 H new ATOM 0 HB3 LYS A 230 -15.839 5.992 16.891 -0.20 0.02 H new ATOM 0 HG2 LYS A 230 -17.813 7.000 17.651 -0.20 0.02 H new ATOM 0 HG3 LYS A 230 -17.229 7.156 19.296 -0.20 0.02 H new ATOM 0 HD2 LYS A 230 -16.802 9.315 18.753 -0.20 0.02 H new ATOM 0 HD3 LYS A 230 -15.385 8.686 17.937 -0.20 0.02 H new ATOM 0 HE2 LYS A 230 -17.455 8.314 16.074 0.30 5.02 H new ATOM 0 HE3 LYS A 230 -17.821 9.865 16.804 0.30 5.02 H new ATOM 0 HZ1 LYS A 230 -16.290 9.870 14.811 -0.81 0.02 H new ATOM 0 HZ2 LYS A 230 -15.753 10.738 16.168 -0.81 0.02 H new ATOM 0 HZ3 LYS A 230 -15.097 9.210 15.824 -0.81 0.02 H new ATOM 1046 N GLY A 231 -17.397 3.447 17.437 -0.36 0.02 N ATOM 1047 CA GLY A 231 -18.639 2.779 17.096 -0.10 0.02 C ATOM 1048 C GLY A 231 -19.531 3.613 16.196 0.48 0.02 C ATOM 1049 O GLY A 231 -20.617 4.029 16.601 -0.48 0.02 O ATOM 0 H GLY A 231 -16.609 3.224 16.829 -0.36 0.02 H new ATOM 0 HA2 GLY A 231 -18.413 1.835 16.601 -0.10 0.02 H new ATOM 0 HA3 GLY A 231 -19.179 2.538 18.012 -0.10 0.02 H new ATOM 1053 N PHE A 232 -19.075 3.857 14.971 -0.36 0.02 N ATOM 1054 CA PHE A 232 -19.843 4.643 14.015 1.00 0.02 C ATOM 1055 C PHE A 232 -20.148 3.852 12.735 0.48 0.02 C ATOM 1056 O PHE A 232 -20.813 2.818 12.790 -0.48 0.02 O ATOM 1057 CB PHE A 232 -19.124 5.943 13.692 -0.16 0.02 C ATOM 1058 CG PHE A 232 -17.647 5.850 13.531 0.03 0.02 C ATOM 1059 CD1 PHE A 232 -16.811 5.873 14.631 -0.16 0.02 C ATOM 1060 CD2 PHE A 232 -17.095 5.800 12.267 -0.16 0.02 C ATOM 1061 CE1 PHE A 232 -15.441 5.835 14.473 -0.15 0.02 C ATOM 1062 CE2 PHE A 232 -15.731 5.774 12.101 -0.15 0.02 C ATOM 1063 CZ PHE A 232 -14.900 5.789 13.205 -0.15 0.02 C ATOM 0 H PHE A 232 -18.178 3.522 14.619 -0.36 0.02 H new ATOM 0 HA PHE A 232 -20.799 4.881 14.480 1.00 0.02 H new ATOM 0 HB2 PHE A 232 -19.545 6.349 12.772 -0.16 0.02 H new ATOM 0 HB3 PHE A 232 -19.339 6.660 14.484 -0.16 0.02 H new ATOM 0 HD1 PHE A 232 -17.234 5.921 15.624 -0.16 0.02 H new ATOM 0 HD2 PHE A 232 -17.740 5.781 11.401 -0.16 0.02 H new ATOM 0 HE1 PHE A 232 -14.795 5.841 15.338 -0.15 0.02 H new ATOM 0 HE2 PHE A 232 -15.309 5.742 11.108 -0.15 0.02 H new ATOM 0 HZ PHE A 232 -13.828 5.765 13.075 -0.15 0.02 H new ATOM 1073 N LYS A 233 -19.692 4.348 11.581 -0.36 0.02 N ATOM 1074 CA LYS A 233 -19.952 3.692 10.309 1.00 0.02 C ATOM 1075 C LYS A 233 -18.987 4.172 9.229 0.48 0.02 C ATOM 1076 O LYS A 233 -18.538 5.315 9.251 -0.48 0.02 O ATOM 1077 CB LYS A 233 -21.372 4.012 9.880 -0.20 0.02 C ATOM 1078 CG LYS A 233 -21.868 3.181 8.708 -0.20 0.02 C ATOM 1079 CD LYS A 233 -22.765 2.042 9.170 -0.20 0.02 C ATOM 1080 CE LYS A 233 -24.227 2.322 8.863 0.30 5.02 C ATOM 1081 NZ LYS A 233 -24.687 3.604 9.465 -0.81 0.02 N ATOM 0 H LYS A 233 -19.141 5.203 11.508 -0.36 0.02 H new ATOM 0 HA LYS A 233 -19.815 2.618 10.437 1.00 0.02 H new ATOM 0 HB2 LYS A 233 -22.040 3.859 10.728 -0.20 0.02 H new ATOM 0 HB3 LYS A 233 -21.431 5.067 9.614 -0.20 0.02 H new ATOM 0 HG2 LYS A 233 -22.417 3.819 8.015 -0.20 0.02 H new ATOM 0 HG3 LYS A 233 -21.016 2.776 8.162 -0.20 0.02 H new ATOM 0 HD2 LYS A 233 -22.461 1.117 8.681 -0.20 0.02 H new ATOM 0 HD3 LYS A 233 -22.640 1.892 10.242 -0.20 0.02 H new ATOM 0 HE2 LYS A 233 -24.371 2.356 7.783 0.30 5.02 H new ATOM 0 HE3 LYS A 233 -24.840 1.504 9.240 0.30 5.02 H new ATOM 0 HZ1 LYS A 233 -25.726 3.646 9.440 -0.81 0.02 H new ATOM 0 HZ2 LYS A 233 -24.361 3.661 10.451 -0.81 0.02 H new ATOM 0 HZ3 LYS A 233 -24.295 4.402 8.925 -0.81 0.02 H new ATOM 1095 N LEU A 234 -18.680 3.302 8.276 -0.36 0.02 N ATOM 1096 CA LEU A 234 -17.781 3.662 7.187 1.00 0.02 C ATOM 1097 C LEU A 234 -18.522 4.487 6.138 0.48 0.02 C ATOM 1098 O LEU A 234 -19.471 4.005 5.521 -0.48 0.02 O ATOM 1099 CB LEU A 234 -17.185 2.395 6.550 -0.20 0.02 C ATOM 1100 CG LEU A 234 -16.647 2.550 5.119 -0.10 0.02 C ATOM 1101 CD1 LEU A 234 -15.701 3.738 5.015 -0.30 0.02 C ATOM 1102 CD2 LEU A 234 -15.945 1.274 4.672 -0.30 0.02 C ATOM 0 H LEU A 234 -19.038 2.348 8.234 -0.36 0.02 H new ATOM 0 HA LEU A 234 -16.968 4.265 7.590 1.00 0.02 H new ATOM 0 HB2 LEU A 234 -16.374 2.040 7.186 -0.20 0.02 H new ATOM 0 HB3 LEU A 234 -17.951 1.619 6.547 -0.20 0.02 H new ATOM 0 HG LEU A 234 -17.495 2.733 4.459 -0.10 0.02 H new ATOM 0 HD11 LEU A 234 -15.336 3.824 3.992 -0.30 0.02 H new ATOM 0 HD12 LEU A 234 -16.231 4.650 5.289 -0.30 0.02 H new ATOM 0 HD13 LEU A 234 -14.858 3.592 5.690 -0.30 0.02 H new ATOM 0 HD21 LEU A 234 -15.570 1.402 3.656 -0.30 0.02 H new ATOM 0 HD22 LEU A 234 -15.112 1.063 5.342 -0.30 0.02 H new ATOM 0 HD23 LEU A 234 -16.650 0.443 4.697 -0.30 0.02 H new ATOM 1114 N ALA A 235 -18.110 5.746 5.972 -0.36 0.02 N ATOM 1115 CA ALA A 235 -18.766 6.647 5.024 1.00 0.02 C ATOM 1116 C ALA A 235 -18.950 6.006 3.647 0.48 0.02 C ATOM 1117 O ALA A 235 -18.731 4.808 3.466 -0.48 0.02 O ATOM 1118 CB ALA A 235 -17.974 7.939 4.896 -0.30 0.02 C ATOM 0 H ALA A 235 -17.329 6.162 6.479 -0.36 0.02 H new ATOM 0 HA ALA A 235 -19.759 6.864 5.417 1.00 0.02 H new ATOM 0 HB1 ALA A 235 -18.471 8.602 4.188 -0.30 0.02 H new ATOM 0 HB2 ALA A 235 -17.914 8.427 5.869 -0.30 0.02 H new ATOM 0 HB3 ALA A 235 -16.969 7.716 4.539 -0.30 0.02 H new ATOM 1124 N GLN A 236 -19.379 6.813 2.681 -0.36 0.02 N ATOM 1125 CA GLN A 236 -19.628 6.330 1.327 1.00 0.02 C ATOM 1126 C GLN A 236 -18.372 6.334 0.458 0.48 0.02 C ATOM 1127 O GLN A 236 -18.464 6.236 -0.765 -0.48 0.02 O ATOM 1128 CB GLN A 236 -20.718 7.174 0.663 -0.20 0.02 C ATOM 1129 CG GLN A 236 -21.748 6.352 -0.095 -0.20 0.02 C ATOM 1130 CD GLN A 236 -23.060 6.227 0.654 0.48 0.02 C ATOM 1131 OE1 GLN A 236 -23.590 5.128 0.823 -0.48 0.02 O ATOM 1132 NE2 GLN A 236 -23.593 7.356 1.108 -0.52 0.02 N ATOM 0 H GLN A 236 -19.562 7.808 2.812 -0.36 0.02 H new ATOM 0 HA GLN A 236 -19.956 5.294 1.415 1.00 0.02 H new ATOM 0 HB2 GLN A 236 -21.226 7.762 1.427 -0.20 0.02 H new ATOM 0 HB3 GLN A 236 -20.251 7.879 -0.024 -0.20 0.02 H new ATOM 0 HG2 GLN A 236 -21.931 6.812 -1.066 -0.20 0.02 H new ATOM 0 HG3 GLN A 236 -21.346 5.357 -0.284 -0.20 0.02 H new ATOM 0 HE21 GLN A 236 -23.120 8.245 0.945 -0.52 0.02 H new ATOM 0 HE22 GLN A 236 -24.475 7.334 1.619 -0.52 0.02 H new ATOM 1141 N ASP A 237 -17.202 6.445 1.076 -0.36 0.02 N ATOM 1142 CA ASP A 237 -15.951 6.456 0.320 1.00 0.02 C ATOM 1143 C ASP A 237 -15.214 5.124 0.448 0.48 0.02 C ATOM 1144 O ASP A 237 -14.394 4.780 -0.403 -0.48 0.02 O ATOM 1145 CB ASP A 237 -15.041 7.598 0.788 -0.45 0.02 C ATOM 1146 CG ASP A 237 -15.818 8.829 1.218 0.49 0.02 C ATOM 1147 OD1 ASP A 237 -16.336 8.837 2.354 -0.62 0.02 O ATOM 1148 OD2 ASP A 237 -15.907 9.783 0.417 -0.62 0.02 O ATOM 0 H ASP A 237 -17.091 6.528 2.087 -0.36 0.02 H new ATOM 0 HA ASP A 237 -16.206 6.612 -0.728 1.00 0.02 H new ATOM 0 HB2 ASP A 237 -14.429 7.251 1.620 -0.45 0.02 H new ATOM 0 HB3 ASP A 237 -14.359 7.867 -0.019 -0.45 0.02 H new ATOM 1153 N GLN A 238 -15.499 4.387 1.524 -0.36 0.02 N ATOM 1154 CA GLN A 238 -14.857 3.094 1.784 1.00 0.02 C ATOM 1155 C GLN A 238 -13.404 3.269 2.235 0.48 0.02 C ATOM 1156 O GLN A 238 -12.784 2.331 2.736 -0.48 0.02 O ATOM 1157 CB GLN A 238 -14.920 2.189 0.547 -0.20 0.02 C ATOM 1158 CG GLN A 238 -16.284 1.555 0.328 -0.20 0.02 C ATOM 1159 CD GLN A 238 -17.113 2.298 -0.702 0.48 0.02 C ATOM 1160 OE1 GLN A 238 -16.858 3.465 -0.996 -0.48 0.02 O ATOM 1161 NE2 GLN A 238 -18.113 1.621 -1.256 -0.52 0.02 N ATOM 0 H GLN A 238 -16.175 4.665 2.235 -0.36 0.02 H new ATOM 0 HA GLN A 238 -15.409 2.617 2.594 1.00 0.02 H new ATOM 0 HB2 GLN A 238 -14.654 2.773 -0.334 -0.20 0.02 H new ATOM 0 HB3 GLN A 238 -14.173 1.401 0.645 -0.20 0.02 H new ATOM 0 HG2 GLN A 238 -16.153 0.522 0.007 -0.20 0.02 H new ATOM 0 HG3 GLN A 238 -16.825 1.529 1.274 -0.20 0.02 H new ATOM 0 HE21 GLN A 238 -18.288 0.654 -0.982 -0.52 0.02 H new ATOM 0 HE22 GLN A 238 -18.706 2.068 -1.956 -0.52 0.02 H new ATOM 1170 N LYS A 239 -12.871 4.475 2.061 -0.36 0.02 N ATOM 1171 CA LYS A 239 -11.502 4.771 2.458 1.00 0.02 C ATOM 1172 C LYS A 239 -11.490 5.654 3.702 0.48 0.02 C ATOM 1173 O LYS A 239 -10.614 5.531 4.558 -0.48 0.02 O ATOM 1174 CB LYS A 239 -10.746 5.454 1.316 -0.20 0.02 C ATOM 1175 CG LYS A 239 -11.365 6.772 0.876 -0.20 0.02 C ATOM 1176 CD LYS A 239 -10.527 7.960 1.324 -0.20 0.02 C ATOM 1177 CE LYS A 239 -9.337 8.184 0.403 0.30 5.02 C ATOM 1178 NZ LYS A 239 -8.055 7.778 1.042 -0.81 0.02 N ATOM 0 H LYS A 239 -13.369 5.263 1.647 -0.36 0.02 H new ATOM 0 HA LYS A 239 -11.001 3.832 2.691 1.00 0.02 H new ATOM 0 HB2 LYS A 239 -9.717 5.632 1.628 -0.20 0.02 H new ATOM 0 HB3 LYS A 239 -10.707 4.778 0.462 -0.20 0.02 H new ATOM 0 HG2 LYS A 239 -11.464 6.784 -0.209 -0.20 0.02 H new ATOM 0 HG3 LYS A 239 -12.370 6.859 1.289 -0.20 0.02 H new ATOM 0 HD2 LYS A 239 -11.147 8.857 1.344 -0.20 0.02 H new ATOM 0 HD3 LYS A 239 -10.174 7.794 2.342 -0.20 0.02 H new ATOM 0 HE2 LYS A 239 -9.479 7.618 -0.517 0.30 5.02 H new ATOM 0 HE3 LYS A 239 -9.286 9.237 0.125 0.30 5.02 H new ATOM 0 HZ1 LYS A 239 -7.260 8.214 0.532 -0.81 0.02 H new ATOM 0 HZ2 LYS A 239 -8.046 8.094 2.033 -0.81 0.02 H new ATOM 0 HZ3 LYS A 239 -7.963 6.743 1.008 -0.81 0.02 H new ATOM 1192 N SER A 240 -12.483 6.535 3.800 -0.36 0.02 N ATOM 1193 CA SER A 240 -12.605 7.431 4.944 1.00 0.02 C ATOM 1194 C SER A 240 -13.509 6.809 6.000 0.48 0.02 C ATOM 1195 O SER A 240 -13.964 5.678 5.841 -0.48 0.02 O ATOM 1196 CB SER A 240 -13.162 8.787 4.507 0.08 0.02 C ATOM 1197 OG SER A 240 -12.218 9.498 3.725 -0.68 0.02 O ATOM 0 H SER A 240 -13.215 6.646 3.099 -0.36 0.02 H new ATOM 0 HA SER A 240 -11.614 7.586 5.371 1.00 0.02 H new ATOM 0 HB2 SER A 240 -14.077 8.640 3.933 0.08 0.02 H new ATOM 0 HB3 SER A 240 -13.428 9.375 5.386 0.08 0.02 H new ATOM 0 HG SER A 240 -12.599 10.360 3.457 -0.68 0.02 H new ATOM 1203 N CYS A 241 -13.761 7.540 7.081 -0.36 0.02 N ATOM 1204 CA CYS A 241 -14.602 7.029 8.158 1.00 0.02 C ATOM 1205 C CYS A 241 -15.387 8.150 8.828 0.48 0.02 C ATOM 1206 O CYS A 241 -14.822 9.178 9.201 -0.48 0.02 O ATOM 1207 CB CYS A 241 -13.727 6.281 9.163 0.20 0.02 C ATOM 1208 SG CYS A 241 -12.898 4.860 8.416 -0.20 0.02 S ATOM 0 H CYS A 241 -13.398 8.481 7.234 -0.36 0.02 H new ATOM 0 HA CYS A 241 -15.336 6.339 7.742 1.00 0.02 H new ATOM 0 HB2 CYS A 241 -12.981 6.962 9.571 0.20 0.02 H new ATOM 0 HB3 CYS A 241 -14.341 5.944 9.998 0.20 0.02 H new ATOM 1213 N GLU A 242 -16.701 7.956 8.959 -0.36 0.02 N ATOM 1214 CA GLU A 242 -17.555 8.971 9.562 1.00 0.02 C ATOM 1215 C GLU A 242 -18.568 8.383 10.549 0.48 0.02 C ATOM 1216 O GLU A 242 -19.085 7.283 10.357 -0.48 0.02 O ATOM 1217 CB GLU A 242 -18.290 9.752 8.470 -0.20 0.02 C ATOM 1218 CG GLU A 242 -17.665 11.102 8.163 -0.45 0.02 C ATOM 1219 CD GLU A 242 -18.688 12.132 7.727 0.49 0.02 C ATOM 1220 OE1 GLU A 242 -19.326 12.745 8.609 -0.62 0.02 O ATOM 1221 OE2 GLU A 242 -18.851 12.326 6.504 -0.62 0.02 O ATOM 0 H GLU A 242 -17.189 7.113 8.658 -0.36 0.02 H new ATOM 0 HA GLU A 242 -16.905 9.639 10.127 1.00 0.02 H new ATOM 0 HB2 GLU A 242 -18.310 9.155 7.559 -0.20 0.02 H new ATOM 0 HB3 GLU A 242 -19.325 9.901 8.776 -0.20 0.02 H new ATOM 0 HG2 GLU A 242 -17.143 11.466 9.048 -0.45 0.02 H new ATOM 0 HG3 GLU A 242 -16.918 10.982 7.378 -0.45 0.02 H new ATOM 1228 N VAL A 243 -18.854 9.147 11.600 -0.36 0.02 N ATOM 1229 CA VAL A 243 -19.815 8.742 12.624 1.00 0.02 C ATOM 1230 C VAL A 243 -21.162 9.426 12.403 0.48 0.02 C ATOM 1231 O VAL A 243 -21.261 10.652 12.434 -0.48 0.02 O ATOM 1232 CB VAL A 243 -19.298 9.075 14.040 -0.10 0.02 C ATOM 1233 CG1 VAL A 243 -18.817 10.517 14.112 -0.30 0.02 C ATOM 1234 CG2 VAL A 243 -20.372 8.812 15.088 -0.30 0.02 C ATOM 0 H VAL A 243 -18.429 10.059 11.766 -0.36 0.02 H new ATOM 0 HA VAL A 243 -19.941 7.663 12.542 1.00 0.02 H new ATOM 0 HB VAL A 243 -18.452 8.421 14.253 -0.10 0.02 H new ATOM 0 HG11 VAL A 243 -18.457 10.731 15.118 -0.30 0.02 H new ATOM 0 HG12 VAL A 243 -18.007 10.667 13.398 -0.30 0.02 H new ATOM 0 HG13 VAL A 243 -19.642 11.188 13.872 -0.30 0.02 H new ATOM 0 HG21 VAL A 243 -19.983 9.054 16.077 -0.30 0.02 H new ATOM 0 HG22 VAL A 243 -21.244 9.432 14.879 -0.30 0.02 H new ATOM 0 HG23 VAL A 243 -20.659 7.761 15.059 -0.30 0.02 H new