USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=19 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 Set 1.1: A 213 GLN : amide:sc= -0.876 K(o=-0.88,f=-1.9!) USER MOD Set 1.2: A 229 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0315) USER MOD Set 2.1: A 169 SER OG : rot -103:sc= 0.794 USER MOD Set 2.2: A 194 ASN : amide:sc= -1.12 K(o=-0.33,f=-2.4!) USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 167 LYS NZ :NH3+ -147:sc= -0.231 (180deg=-0.252) 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= -7.93! C(o=-7.9!,f=-7.9!) USER MOD Single : A 191 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 TYR OH : rot 160:sc= -2.06! USER MOD Single : A 196 LYS NZ :NH3+ 160:sc= -0.0558 (180deg=-0.334) USER MOD Single : A 197 SER OG : rot 180:sc= 0 USER MOD Single : A 198 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0341) USER MOD Single : A 199 SER OG : rot 59:sc= 0.173 USER MOD Single : A 207 SER OG : rot 180:sc= 0 USER MOD Single : A 209 ASN : amide:sc= -0.807 K(o=-0.81,f=-1.8) USER MOD Single : A 210 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 217 ASN :FLIP amide:sc= -9.93! C(o=-13!,f=-9.9!) 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 75:sc= -0.847! USER MOD Single : A 225 TYR OH : rot 35:sc= -2.5! USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 233 LYS NZ :NH3+ -115:sc= -0.0316 (180deg=-1.44!) USER MOD Single : A 236 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 238 GLN : amide:sc= -0.0381 X(o=-0.038,f=0) USER MOD Single : A 239 LYS NZ :NH3+ 180:sc= -0.438 (180deg=-0.438) USER MOD Single : A 240 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 160 16.754 7.980 -10.957 -0.36 0.02 N ATOM 26 CA ASP A 160 17.452 8.831 -9.998 1.00 0.01 C ATOM 27 C ASP A 160 18.283 7.993 -9.028 0.48 0.02 C ATOM 28 O ASP A 160 19.486 7.816 -9.221 -0.48 0.02 O ATOM 29 CB ASP A 160 16.453 9.701 -9.223 -0.45 0.01 C ATOM 30 CG ASP A 160 15.085 9.054 -9.094 0.49 0.01 C ATOM 31 OD1 ASP A 160 14.872 8.296 -8.122 -0.62 0.01 O ATOM 32 OD2 ASP A 160 14.228 9.304 -9.967 -0.62 0.01 O ATOM 0 HA ASP A 160 18.126 9.482 -10.555 1.00 0.01 H new ATOM 0 HB2 ASP A 160 16.850 9.903 -8.228 -0.45 0.01 H new ATOM 0 HB3 ASP A 160 16.349 10.662 -9.726 -0.45 0.01 H new ATOM 37 N VAL A 161 17.634 7.478 -7.989 -0.36 0.01 N ATOM 38 CA VAL A 161 18.309 6.658 -6.992 1.00 0.01 C ATOM 39 C VAL A 161 17.301 5.816 -6.220 0.48 0.01 C ATOM 40 O VAL A 161 16.117 6.160 -6.153 -0.48 0.01 O ATOM 41 CB VAL A 161 19.117 7.521 -6.002 -0.10 0.01 C ATOM 42 CG1 VAL A 161 18.201 8.469 -5.242 -0.30 0.02 C ATOM 43 CG2 VAL A 161 19.901 6.640 -5.040 -0.30 0.02 C ATOM 0 H VAL A 161 16.638 7.615 -7.816 -0.36 0.01 H new ATOM 0 HA VAL A 161 18.999 6.004 -7.525 1.00 0.01 H new ATOM 0 HB VAL A 161 19.827 8.121 -6.571 -0.10 0.01 H new ATOM 0 HG11 VAL A 161 18.792 9.068 -4.549 -0.30 0.02 H new ATOM 0 HG12 VAL A 161 17.692 9.126 -5.947 -0.30 0.02 H new ATOM 0 HG13 VAL A 161 17.463 7.893 -4.685 -0.30 0.02 H new ATOM 0 HG21 VAL A 161 20.465 7.267 -4.349 -0.30 0.02 H new ATOM 0 HG22 VAL A 161 19.211 6.011 -4.478 -0.30 0.02 H new ATOM 0 HG23 VAL A 161 20.590 6.010 -5.603 -0.30 0.02 H new ATOM 53 N ASP A 162 17.777 4.709 -5.645 -0.36 0.01 N ATOM 54 CA ASP A 162 16.922 3.804 -4.878 1.00 0.01 C ATOM 55 C ASP A 162 15.606 3.559 -5.607 0.48 0.01 C ATOM 56 O ASP A 162 14.712 4.405 -5.597 -0.48 0.02 O ATOM 57 CB ASP A 162 16.654 4.379 -3.486 -0.45 0.01 C ATOM 58 CG ASP A 162 17.885 4.352 -2.602 0.49 0.02 C ATOM 59 OD1 ASP A 162 18.634 3.353 -2.657 -0.62 0.02 O ATOM 60 OD2 ASP A 162 18.101 5.329 -1.855 -0.62 0.02 O ATOM 0 H ASP A 162 18.753 4.418 -5.697 -0.36 0.01 H new ATOM 0 HA ASP A 162 17.441 2.851 -4.772 1.00 0.01 H new ATOM 0 HB2 ASP A 162 16.302 5.406 -3.582 -0.45 0.01 H new ATOM 0 HB3 ASP A 162 15.855 3.811 -3.009 -0.45 0.01 H new ATOM 65 N GLU A 163 15.489 2.405 -6.250 -0.36 0.02 N ATOM 66 CA GLU A 163 14.281 2.083 -6.988 1.00 0.02 C ATOM 67 C GLU A 163 13.466 1.016 -6.271 0.48 0.02 C ATOM 68 O GLU A 163 12.442 1.312 -5.656 -0.48 0.02 O ATOM 69 CB GLU A 163 14.634 1.629 -8.406 -0.20 0.01 C ATOM 70 CG GLU A 163 15.449 2.652 -9.185 -0.45 0.01 C ATOM 71 CD GLU A 163 14.826 4.037 -9.169 0.49 0.01 C ATOM 72 OE1 GLU A 163 14.754 4.646 -8.079 -0.62 0.01 O ATOM 73 OE2 GLU A 163 14.412 4.513 -10.247 -0.62 0.01 O ATOM 0 H GLU A 163 16.210 1.684 -6.274 -0.36 0.02 H new ATOM 0 HA GLU A 163 13.669 2.983 -7.049 1.00 0.02 H new ATOM 0 HB2 GLU A 163 15.194 0.695 -8.351 -0.20 0.01 H new ATOM 0 HB3 GLU A 163 13.714 1.418 -8.951 -0.20 0.01 H new ATOM 0 HG2 GLU A 163 16.453 2.706 -8.765 -0.45 0.01 H new ATOM 0 HG3 GLU A 163 15.553 2.317 -10.217 -0.45 0.01 H new ATOM 80 N CYS A 164 13.925 -0.223 -6.349 -0.36 0.02 N ATOM 81 CA CYS A 164 13.236 -1.328 -5.702 1.00 0.02 C ATOM 82 C CYS A 164 13.903 -1.686 -4.375 0.48 0.02 C ATOM 83 O CYS A 164 13.586 -2.704 -3.761 -0.48 0.02 O ATOM 84 CB CYS A 164 13.202 -2.533 -6.637 0.20 0.02 C ATOM 85 SG CYS A 164 12.658 -2.123 -8.329 -0.20 0.02 S ATOM 0 H CYS A 164 14.771 -0.488 -6.853 -0.36 0.02 H new ATOM 0 HA CYS A 164 12.212 -1.023 -5.484 1.00 0.02 H new ATOM 0 HB2 CYS A 164 14.196 -2.977 -6.681 0.20 0.02 H new ATOM 0 HB3 CYS A 164 12.534 -3.287 -6.221 0.20 0.02 H new ATOM 90 N SER A 165 14.816 -0.824 -3.933 -0.36 0.02 N ATOM 91 CA SER A 165 15.521 -1.019 -2.672 1.00 0.02 C ATOM 92 C SER A 165 15.354 0.212 -1.781 0.48 0.02 C ATOM 93 O SER A 165 16.093 0.399 -0.815 -0.48 0.02 O ATOM 94 CB SER A 165 17.007 -1.282 -2.927 0.08 0.02 C ATOM 95 OG SER A 165 17.292 -2.670 -2.896 -0.68 0.02 O ATOM 0 H SER A 165 15.085 0.022 -4.435 -0.36 0.02 H new ATOM 0 HA SER A 165 15.094 -1.885 -2.166 1.00 0.02 H new ATOM 0 HB2 SER A 165 17.291 -0.871 -3.896 0.08 0.02 H new ATOM 0 HB3 SER A 165 17.605 -0.768 -2.174 0.08 0.02 H new ATOM 0 HG SER A 165 18.247 -2.812 -3.063 -0.68 0.02 H new ATOM 101 N LEU A 166 14.375 1.050 -2.122 -0.36 0.02 N ATOM 102 CA LEU A 166 14.100 2.266 -1.369 1.00 0.02 C ATOM 103 C LEU A 166 13.545 1.935 0.012 0.48 0.02 C ATOM 104 O LEU A 166 13.860 2.603 0.997 -0.48 0.02 O ATOM 105 CB LEU A 166 13.107 3.138 -2.144 -0.20 0.02 C ATOM 106 CG LEU A 166 13.079 4.615 -1.743 -0.10 0.02 C ATOM 107 CD1 LEU A 166 14.005 5.424 -2.638 -0.30 0.02 C ATOM 108 CD2 LEU A 166 11.657 5.160 -1.806 -0.30 0.02 C ATOM 0 H LEU A 166 13.758 0.904 -2.921 -0.36 0.02 H new ATOM 0 HA LEU A 166 15.033 2.813 -1.236 1.00 0.02 H new ATOM 0 HB2 LEU A 166 13.343 3.072 -3.206 -0.20 0.02 H new ATOM 0 HB3 LEU A 166 12.107 2.724 -2.013 -0.20 0.02 H new ATOM 0 HG LEU A 166 13.431 4.702 -0.715 -0.10 0.02 H new ATOM 0 HD11 LEU A 166 13.974 6.472 -2.341 -0.30 0.02 H new ATOM 0 HD12 LEU A 166 15.024 5.049 -2.541 -0.30 0.02 H new ATOM 0 HD13 LEU A 166 13.681 5.331 -3.675 -0.30 0.02 H new ATOM 0 HD21 LEU A 166 11.657 6.211 -1.518 -0.30 0.02 H new ATOM 0 HD22 LEU A 166 11.275 5.063 -2.822 -0.30 0.02 H new ATOM 0 HD23 LEU A 166 11.021 4.597 -1.123 -0.30 0.02 H new ATOM 120 N LYS A 167 12.721 0.894 0.075 -0.36 0.02 N ATOM 121 CA LYS A 167 12.124 0.463 1.333 1.00 0.02 C ATOM 122 C LYS A 167 12.638 -0.921 1.721 0.48 0.02 C ATOM 123 O LYS A 167 13.274 -1.600 0.915 -0.48 0.02 O ATOM 124 CB LYS A 167 10.598 0.446 1.216 -0.20 0.02 C ATOM 125 CG LYS A 167 9.924 1.634 1.883 -0.20 0.02 C ATOM 126 CD LYS A 167 8.425 1.423 2.013 -0.20 0.02 C ATOM 127 CE LYS A 167 7.726 1.550 0.669 0.30 5.02 C ATOM 128 NZ LYS A 167 6.420 2.257 0.786 -0.81 0.02 N ATOM 0 H LYS A 167 12.451 0.332 -0.733 -0.36 0.02 H new ATOM 0 HA LYS A 167 12.409 1.170 2.112 1.00 0.02 H new ATOM 0 HB2 LYS A 167 10.323 0.428 0.161 -0.20 0.02 H new ATOM 0 HB3 LYS A 167 10.218 -0.474 1.661 -0.20 0.02 H new ATOM 0 HG2 LYS A 167 10.357 1.792 2.871 -0.20 0.02 H new ATOM 0 HG3 LYS A 167 10.117 2.536 1.302 -0.20 0.02 H new ATOM 0 HD2 LYS A 167 8.231 0.436 2.434 -0.20 0.02 H new ATOM 0 HD3 LYS A 167 8.013 2.153 2.709 -0.20 0.02 H new ATOM 0 HE2 LYS A 167 8.370 2.090 -0.025 0.30 5.02 H new ATOM 0 HE3 LYS A 167 7.565 0.557 0.248 0.30 5.02 H new ATOM 0 HZ1 LYS A 167 5.753 1.872 0.087 -0.81 0.02 H new ATOM 0 HZ2 LYS A 167 6.036 2.121 1.743 -0.81 0.02 H new ATOM 0 HZ3 LYS A 167 6.558 3.273 0.610 -0.81 0.02 H new ATOM 142 N PRO A 168 12.370 -1.362 2.963 -0.36 0.02 N ATOM 143 CA PRO A 168 12.812 -2.672 3.447 1.00 0.02 C ATOM 144 C PRO A 168 12.471 -3.796 2.473 0.48 0.02 C ATOM 145 O PRO A 168 13.200 -4.782 2.372 -0.48 0.02 O ATOM 146 CB PRO A 168 12.052 -2.856 4.771 -0.20 0.02 C ATOM 147 CG PRO A 168 11.057 -1.742 4.829 -0.20 0.02 C ATOM 148 CD PRO A 168 11.623 -0.632 3.993 0.06 0.02 C ATOM 0 HA PRO A 168 13.895 -2.712 3.561 1.00 0.02 H new ATOM 0 HB2 PRO A 168 11.555 -3.826 4.805 -0.20 0.02 H new ATOM 0 HB3 PRO A 168 12.733 -2.817 5.621 -0.20 0.02 H new ATOM 0 HG2 PRO A 168 10.089 -2.064 4.445 -0.20 0.02 H new ATOM 0 HG3 PRO A 168 10.899 -1.414 5.856 -0.20 0.02 H new ATOM 0 HD2 PRO A 168 10.840 -0.009 3.562 0.06 0.02 H new ATOM 0 HD3 PRO A 168 12.270 0.025 4.574 0.06 0.02 H new ATOM 156 N SER A 169 11.360 -3.643 1.758 -0.36 0.02 N ATOM 157 CA SER A 169 10.933 -4.652 0.795 1.00 0.02 C ATOM 158 C SER A 169 9.954 -4.072 -0.222 0.48 0.02 C ATOM 159 O SER A 169 8.762 -3.943 0.056 -0.48 0.02 O ATOM 160 CB SER A 169 10.289 -5.835 1.520 0.08 0.02 C ATOM 161 OG SER A 169 11.265 -6.624 2.178 -0.68 0.02 O ATOM 0 H SER A 169 10.742 -2.834 1.827 -0.36 0.02 H new ATOM 0 HA SER A 169 11.817 -4.995 0.258 1.00 0.02 H new ATOM 0 HB2 SER A 169 9.563 -5.469 2.246 0.08 0.02 H new ATOM 0 HB3 SER A 169 9.742 -6.450 0.805 0.08 0.02 H new ATOM 0 HG SER A 169 11.433 -7.438 1.658 -0.68 0.02 H new ATOM 167 N ILE A 170 10.461 -3.736 -1.404 -0.36 0.02 N ATOM 168 CA ILE A 170 9.623 -3.184 -2.463 1.00 0.02 C ATOM 169 C ILE A 170 9.165 -4.268 -3.416 0.48 0.02 C ATOM 170 O ILE A 170 8.023 -4.723 -3.364 -0.48 0.02 O ATOM 171 CB ILE A 170 10.363 -2.126 -3.303 -0.10 0.02 C ATOM 172 CG1 ILE A 170 10.858 -0.980 -2.421 -0.20 0.02 C ATOM 173 CG2 ILE A 170 9.462 -1.604 -4.408 -0.30 0.02 C ATOM 174 CD1 ILE A 170 9.810 0.087 -2.192 -0.30 0.02 C ATOM 0 H ILE A 170 11.445 -3.836 -1.652 -0.36 0.02 H new ATOM 0 HA ILE A 170 8.774 -2.724 -1.957 1.00 0.02 H new ATOM 0 HB ILE A 170 11.233 -2.598 -3.761 -0.10 0.02 H new ATOM 0 HG12 ILE A 170 11.176 -1.381 -1.459 -0.20 0.02 H new ATOM 0 HG13 ILE A 170 11.735 -0.526 -2.883 -0.20 0.02 H new ATOM 0 HG21 ILE A 170 9.999 -0.857 -4.993 -0.30 0.02 H new ATOM 0 HG22 ILE A 170 9.166 -2.429 -5.056 -0.30 0.02 H new ATOM 0 HG23 ILE A 170 8.573 -1.151 -3.969 -0.30 0.02 H new ATOM 0 HD11 ILE A 170 10.223 0.872 -1.559 -0.30 0.02 H new ATOM 0 HD12 ILE A 170 9.509 0.513 -3.149 -0.30 0.02 H new ATOM 0 HD13 ILE A 170 8.942 -0.355 -1.703 -0.30 0.02 H new ATOM 186 N CYS A 171 10.065 -4.656 -4.311 -0.36 0.02 N ATOM 187 CA CYS A 171 9.754 -5.655 -5.297 1.00 0.02 C ATOM 188 C CYS A 171 10.984 -6.474 -5.668 0.48 0.02 C ATOM 189 O CYS A 171 11.130 -6.908 -6.811 -0.48 0.02 O ATOM 190 CB CYS A 171 9.155 -4.976 -6.528 0.20 0.02 C ATOM 191 SG CYS A 171 7.483 -5.556 -6.958 -0.20 0.02 S ATOM 0 H CYS A 171 11.014 -4.287 -4.365 -0.36 0.02 H new ATOM 0 HA CYS A 171 9.025 -6.349 -4.878 1.00 0.02 H new ATOM 0 HB2 CYS A 171 9.122 -3.900 -6.356 0.20 0.02 H new ATOM 0 HB3 CYS A 171 9.816 -5.142 -7.379 0.20 0.02 H new ATOM 196 N GLY A 172 11.865 -6.686 -4.689 -0.36 0.02 N ATOM 197 CA GLY A 172 13.075 -7.458 -4.923 -0.10 0.02 C ATOM 198 C GLY A 172 13.735 -7.113 -6.240 0.48 0.02 C ATOM 199 O GLY A 172 14.265 -7.988 -6.925 -0.48 0.02 O ATOM 0 H GLY A 172 11.761 -6.336 -3.737 -0.36 0.02 H new ATOM 0 HA2 GLY A 172 13.779 -7.280 -4.110 -0.10 0.02 H new ATOM 0 HA3 GLY A 172 12.833 -8.521 -4.909 -0.10 0.02 H new ATOM 203 N THR A 173 13.694 -5.829 -6.592 -0.36 0.02 N ATOM 204 CA THR A 173 14.274 -5.339 -7.828 1.00 0.02 C ATOM 205 C THR A 173 14.061 -6.337 -8.966 0.48 0.02 C ATOM 206 O THR A 173 14.986 -6.668 -9.708 -0.48 0.02 O ATOM 207 CB THR A 173 15.753 -5.044 -7.615 0.18 0.02 C ATOM 208 OG1 THR A 173 16.032 -4.863 -6.237 -0.68 0.02 O ATOM 209 CG2 THR A 173 16.236 -3.804 -8.343 -0.30 0.02 C ATOM 0 H THR A 173 13.256 -5.104 -6.024 -0.36 0.02 H new ATOM 0 HA THR A 173 13.773 -4.414 -8.115 1.00 0.02 H new ATOM 0 HB THR A 173 16.278 -5.909 -8.021 0.18 0.02 H new ATOM 0 HG1 THR A 173 16.987 -4.676 -6.118 -0.68 0.02 H new ATOM 0 HG21 THR A 173 17.298 -3.656 -8.145 -0.30 0.02 H new ATOM 0 HG22 THR A 173 16.080 -3.927 -9.415 -0.30 0.02 H new ATOM 0 HG23 THR A 173 15.678 -2.936 -7.993 -0.30 0.02 H new ATOM 217 N ALA A 174 12.819 -6.808 -9.087 -0.36 0.02 N ATOM 218 CA ALA A 174 12.445 -7.768 -10.121 1.00 0.02 C ATOM 219 C ALA A 174 12.245 -7.056 -11.455 0.48 0.02 C ATOM 220 O ALA A 174 13.132 -7.046 -12.309 -0.48 0.02 O ATOM 221 CB ALA A 174 11.171 -8.507 -9.706 -0.30 0.02 C ATOM 0 H ALA A 174 12.050 -6.536 -8.474 -0.36 0.02 H new ATOM 0 HA ALA A 174 13.248 -8.496 -10.240 1.00 0.02 H new ATOM 0 HB1 ALA A 174 10.896 -9.222 -10.481 -0.30 0.02 H new ATOM 0 HB2 ALA A 174 11.346 -9.036 -8.769 -0.30 0.02 H new ATOM 0 HB3 ALA A 174 10.362 -7.789 -9.571 -0.30 0.02 H new ATOM 227 N VAL A 175 11.084 -6.443 -11.607 -0.36 0.02 N ATOM 228 CA VAL A 175 10.747 -5.694 -12.809 1.00 0.02 C ATOM 229 C VAL A 175 9.912 -4.488 -12.415 0.48 0.02 C ATOM 230 O VAL A 175 8.798 -4.290 -12.901 -0.48 0.02 O ATOM 231 CB VAL A 175 9.968 -6.548 -13.831 -0.10 0.02 C ATOM 232 CG1 VAL A 175 10.024 -5.907 -15.209 -0.30 0.02 C ATOM 233 CG2 VAL A 175 10.513 -7.968 -13.875 -0.30 0.02 C ATOM 0 H VAL A 175 10.347 -6.449 -10.902 -0.36 0.02 H new ATOM 0 HA VAL A 175 11.677 -5.385 -13.286 1.00 0.02 H new ATOM 0 HB VAL A 175 8.926 -6.596 -13.515 -0.10 0.02 H new ATOM 0 HG11 VAL A 175 9.470 -6.521 -15.919 -0.30 0.02 H new ATOM 0 HG12 VAL A 175 9.580 -4.912 -15.166 -0.30 0.02 H new ATOM 0 HG13 VAL A 175 11.062 -5.827 -15.531 -0.30 0.02 H new ATOM 0 HG21 VAL A 175 9.949 -8.552 -14.602 -0.30 0.02 H new ATOM 0 HG22 VAL A 175 11.564 -7.946 -14.164 -0.30 0.02 H new ATOM 0 HG23 VAL A 175 10.417 -8.425 -12.890 -0.30 0.02 H new ATOM 243 N CYS A 176 10.458 -3.705 -11.493 -0.36 0.02 N ATOM 244 CA CYS A 176 9.777 -2.532 -10.975 1.00 0.02 C ATOM 245 C CYS A 176 10.356 -1.241 -11.535 0.48 0.02 C ATOM 246 O CYS A 176 11.569 -1.097 -11.684 -0.48 0.02 O ATOM 247 CB CYS A 176 9.854 -2.507 -9.441 0.20 0.02 C ATOM 248 SG CYS A 176 11.210 -3.491 -8.714 -0.20 0.02 S ATOM 0 H CYS A 176 11.380 -3.866 -11.087 -0.36 0.02 H new ATOM 0 HA CYS A 176 8.736 -2.598 -11.292 1.00 0.02 H new ATOM 0 HB2 CYS A 176 9.962 -1.472 -9.115 0.20 0.02 H new ATOM 0 HB3 CYS A 176 8.908 -2.870 -9.040 0.20 0.02 H new ATOM 253 N LYS A 177 9.468 -0.295 -11.812 -0.36 0.02 N ATOM 254 CA LYS A 177 9.862 1.008 -12.323 1.00 0.02 C ATOM 255 C LYS A 177 9.664 2.052 -11.234 0.48 0.02 C ATOM 256 O LYS A 177 8.566 2.581 -11.059 -0.48 0.02 O ATOM 257 CB LYS A 177 9.040 1.371 -13.561 -0.20 0.02 C ATOM 258 CG LYS A 177 9.709 2.405 -14.454 -0.20 0.02 C ATOM 259 CD LYS A 177 9.600 2.029 -15.923 -0.20 0.02 C ATOM 260 CE LYS A 177 10.742 2.619 -16.736 0.30 5.02 C ATOM 261 NZ LYS A 177 11.795 1.608 -17.030 -0.81 0.02 N ATOM 0 H LYS A 177 8.462 -0.409 -11.689 -0.36 0.02 H new ATOM 0 HA LYS A 177 10.913 0.977 -12.612 1.00 0.02 H new ATOM 0 HB2 LYS A 177 8.854 0.467 -14.142 -0.20 0.02 H new ATOM 0 HB3 LYS A 177 8.069 1.751 -13.244 -0.20 0.02 H new ATOM 0 HG2 LYS A 177 9.248 3.379 -14.292 -0.20 0.02 H new ATOM 0 HG3 LYS A 177 10.759 2.499 -14.179 -0.20 0.02 H new ATOM 0 HD2 LYS A 177 9.604 0.944 -16.023 -0.20 0.02 H new ATOM 0 HD3 LYS A 177 8.649 2.382 -16.320 -0.20 0.02 H new ATOM 0 HE2 LYS A 177 10.352 3.020 -17.672 0.30 5.02 H new ATOM 0 HE3 LYS A 177 11.182 3.454 -16.191 0.30 5.02 H new ATOM 0 HZ1 LYS A 177 12.555 2.050 -17.586 -0.81 0.02 H new ATOM 0 HZ2 LYS A 177 12.185 1.244 -16.138 -0.81 0.02 H new ATOM 0 HZ3 LYS A 177 11.381 0.823 -17.573 -0.81 0.02 H new ATOM 275 N ASN A 178 10.723 2.317 -10.478 -0.36 0.02 N ATOM 276 CA ASN A 178 10.651 3.271 -9.382 1.00 0.01 C ATOM 277 C ASN A 178 10.918 4.697 -9.840 0.48 0.02 C ATOM 278 O ASN A 178 11.510 4.932 -10.893 -0.48 0.02 O ATOM 279 CB ASN A 178 11.637 2.892 -8.283 -0.20 0.01 C ATOM 280 CG ASN A 178 11.428 3.704 -7.018 0.48 0.01 C ATOM 281 OD1 ASN A 178 11.933 4.821 -6.894 -0.48 0.01 O ATOM 282 ND2 ASN A 178 10.684 3.146 -6.071 -0.52 0.01 N ATOM 0 H ASN A 178 11.638 1.885 -10.605 -0.36 0.02 H new ATOM 0 HA ASN A 178 9.634 3.233 -8.993 1.00 0.01 H new ATOM 0 HB2 ASN A 178 11.532 1.832 -8.053 -0.20 0.01 H new ATOM 0 HB3 ASN A 178 12.655 3.041 -8.644 -0.20 0.01 H new ATOM 0 HD21 ASN A 178 10.511 3.645 -5.198 -0.52 0.01 H new ATOM 0 HD22 ASN A 178 10.285 2.218 -6.216 -0.52 0.01 H new ATOM 289 N ILE A 179 10.476 5.641 -9.020 -0.36 0.01 N ATOM 290 CA ILE A 179 10.652 7.057 -9.296 1.00 0.01 C ATOM 291 C ILE A 179 11.067 7.784 -8.015 0.48 0.01 C ATOM 292 O ILE A 179 11.113 7.173 -6.945 -0.48 0.01 O ATOM 293 CB ILE A 179 9.358 7.673 -9.872 -0.10 0.01 C ATOM 294 CG1 ILE A 179 8.134 7.211 -9.079 -0.20 0.02 C ATOM 295 CG2 ILE A 179 9.210 7.297 -11.338 -0.30 0.02 C ATOM 296 CD1 ILE A 179 6.827 7.735 -9.636 -0.30 5.62 C ATOM 0 H ILE A 179 9.986 5.445 -8.147 -0.36 0.01 H new ATOM 0 HA ILE A 179 11.437 7.172 -10.043 1.00 0.01 H new ATOM 0 HB ILE A 179 9.426 8.758 -9.789 -0.10 0.01 H new ATOM 0 HG12 ILE A 179 8.106 6.121 -9.069 -0.20 0.02 H new ATOM 0 HG13 ILE A 179 8.236 7.536 -8.044 -0.20 0.02 H new ATOM 0 HG21 ILE A 179 8.295 7.736 -11.736 -0.30 0.02 H new ATOM 0 HG22 ILE A 179 10.066 7.673 -11.898 -0.30 0.02 H new ATOM 0 HG23 ILE A 179 9.163 6.212 -11.432 -0.30 0.02 H new ATOM 0 HD11 ILE A 179 6.000 7.370 -9.027 -0.30 5.62 H new ATOM 0 HD12 ILE A 179 6.836 8.825 -9.620 -0.30 5.62 H new ATOM 0 HD13 ILE A 179 6.703 7.388 -10.662 -0.30 5.62 H new ATOM 308 N PRO A 180 11.395 9.089 -8.094 -0.36 0.01 N ATOM 309 CA PRO A 180 11.820 9.863 -6.924 1.00 0.01 C ATOM 310 C PRO A 180 10.983 9.587 -5.678 0.48 0.01 C ATOM 311 O PRO A 180 11.458 9.757 -4.555 -0.48 0.02 O ATOM 312 CB PRO A 180 11.646 11.305 -7.391 -0.20 0.01 C ATOM 313 CG PRO A 180 11.928 11.246 -8.852 -0.20 0.02 C ATOM 314 CD PRO A 180 11.400 9.915 -9.322 0.06 0.01 C ATOM 0 HA PRO A 180 12.835 9.611 -6.617 1.00 0.01 H new ATOM 0 HB2 PRO A 180 10.638 11.670 -7.193 -0.20 0.01 H new ATOM 0 HB3 PRO A 180 12.334 11.977 -6.878 -0.20 0.01 H new ATOM 0 HG2 PRO A 180 11.440 12.067 -9.377 -0.20 0.02 H new ATOM 0 HG3 PRO A 180 12.997 11.333 -9.047 -0.20 0.02 H new ATOM 0 HD2 PRO A 180 10.400 10.008 -9.747 0.06 0.01 H new ATOM 0 HD3 PRO A 180 12.036 9.482 -10.094 0.06 0.01 H new ATOM 322 N GLY A 181 9.740 9.161 -5.875 -0.36 0.02 N ATOM 323 CA GLY A 181 8.877 8.872 -4.743 -0.10 0.02 C ATOM 324 C GLY A 181 7.704 7.970 -5.090 0.48 0.02 C ATOM 325 O GLY A 181 6.570 8.246 -4.700 -0.48 0.02 O ATOM 0 H GLY A 181 9.316 9.011 -6.791 -0.36 0.02 H new ATOM 0 HA2 GLY A 181 9.467 8.401 -3.957 -0.10 0.02 H new ATOM 0 HA3 GLY A 181 8.497 9.810 -4.337 -0.10 0.02 H new ATOM 329 N ASP A 182 7.973 6.884 -5.810 -0.36 0.02 N ATOM 330 CA ASP A 182 6.928 5.941 -6.189 1.00 0.02 C ATOM 331 C ASP A 182 7.536 4.743 -6.906 0.48 0.02 C ATOM 332 O ASP A 182 8.758 4.600 -6.950 -0.48 0.02 O ATOM 333 CB ASP A 182 5.882 6.619 -7.075 -0.45 0.02 C ATOM 334 CG ASP A 182 4.498 6.598 -6.455 0.49 0.02 C ATOM 335 OD1 ASP A 182 4.152 5.586 -5.811 -0.62 0.02 O ATOM 336 OD2 ASP A 182 3.761 7.594 -6.614 -0.62 0.02 O ATOM 0 H ASP A 182 8.905 6.637 -6.142 -0.36 0.02 H new ATOM 0 HA ASP A 182 6.432 5.593 -5.283 1.00 0.02 H new ATOM 0 HB2 ASP A 182 6.179 7.651 -7.258 -0.45 0.02 H new ATOM 0 HB3 ASP A 182 5.851 6.119 -8.043 -0.45 0.02 H new ATOM 341 N PHE A 183 6.693 3.880 -7.462 -0.36 0.02 N ATOM 342 CA PHE A 183 7.200 2.703 -8.161 1.00 0.02 C ATOM 343 C PHE A 183 6.113 1.912 -8.887 0.48 0.02 C ATOM 344 O PHE A 183 4.916 2.140 -8.711 -0.48 0.02 O ATOM 345 CB PHE A 183 7.937 1.784 -7.167 -0.16 0.02 C ATOM 346 CG PHE A 183 7.097 0.654 -6.607 0.03 0.02 C ATOM 347 CD1 PHE A 183 5.745 0.833 -6.341 -0.16 0.02 C ATOM 348 CD2 PHE A 183 7.661 -0.591 -6.355 -0.16 0.02 C ATOM 349 CE1 PHE A 183 4.976 -0.203 -5.838 -0.15 0.02 C ATOM 350 CE2 PHE A 183 6.893 -1.626 -5.850 -0.15 0.02 C ATOM 351 CZ PHE A 183 5.552 -1.432 -5.594 -0.15 0.02 C ATOM 0 H PHE A 183 5.677 3.968 -7.445 -0.36 0.02 H new ATOM 0 HA PHE A 183 7.885 3.066 -8.927 1.00 0.02 H new ATOM 0 HB2 PHE A 183 8.809 1.359 -7.664 -0.16 0.02 H new ATOM 0 HB3 PHE A 183 8.306 2.389 -6.339 -0.16 0.02 H new ATOM 0 HD1 PHE A 183 5.288 1.793 -6.529 -0.16 0.02 H new ATOM 0 HD2 PHE A 183 8.710 -0.753 -6.555 -0.16 0.02 H new ATOM 0 HE1 PHE A 183 3.926 -0.049 -5.637 -0.15 0.02 H new ATOM 0 HE2 PHE A 183 7.345 -2.587 -5.656 -0.15 0.02 H new ATOM 0 HZ PHE A 183 4.954 -2.242 -5.203 -0.15 0.02 H new ATOM 361 N GLU A 184 6.578 0.949 -9.673 -0.36 0.02 N ATOM 362 CA GLU A 184 5.720 0.044 -10.424 1.00 0.02 C ATOM 363 C GLU A 184 6.327 -1.351 -10.343 0.48 0.02 C ATOM 364 O GLU A 184 7.409 -1.510 -9.784 -0.48 0.02 O ATOM 365 CB GLU A 184 5.596 0.500 -11.878 -0.20 0.02 C ATOM 366 CG GLU A 184 4.950 1.868 -12.024 -0.45 0.02 C ATOM 367 CD GLU A 184 5.295 2.540 -13.339 0.49 0.02 C ATOM 368 OE1 GLU A 184 6.363 3.183 -13.414 -0.62 0.02 O ATOM 369 OE2 GLU A 184 4.497 2.423 -14.293 -0.62 0.02 O ATOM 0 H GLU A 184 7.574 0.773 -9.808 -0.36 0.02 H new ATOM 0 HA GLU A 184 4.716 0.039 -10.001 1.00 0.02 H new ATOM 0 HB2 GLU A 184 6.587 0.524 -12.330 -0.20 0.02 H new ATOM 0 HB3 GLU A 184 5.010 -0.232 -12.433 -0.20 0.02 H new ATOM 0 HG2 GLU A 184 3.868 1.764 -11.946 -0.45 0.02 H new ATOM 0 HG3 GLU A 184 5.269 2.506 -11.200 -0.45 0.02 H new ATOM 376 N CYS A 185 5.652 -2.365 -10.872 -0.36 0.02 N ATOM 377 CA CYS A 185 6.197 -3.719 -10.798 1.00 0.02 C ATOM 378 C CYS A 185 5.413 -4.714 -11.641 0.48 0.02 C ATOM 379 O CYS A 185 4.232 -4.517 -11.927 -0.48 0.02 O ATOM 380 CB CYS A 185 6.216 -4.185 -9.342 0.20 0.02 C ATOM 381 SG CYS A 185 7.450 -5.476 -8.986 -0.20 0.02 S ATOM 0 H CYS A 185 4.752 -2.283 -11.344 -0.36 0.02 H new ATOM 0 HA CYS A 185 7.209 -3.682 -11.200 1.00 0.02 H new ATOM 0 HB2 CYS A 185 6.410 -3.326 -8.700 0.20 0.02 H new ATOM 0 HB3 CYS A 185 5.227 -4.561 -9.080 0.20 0.02 H new ATOM 386 N GLU A 186 6.085 -5.801 -12.015 -0.36 0.02 N ATOM 387 CA GLU A 186 5.464 -6.856 -12.804 1.00 0.02 C ATOM 388 C GLU A 186 4.515 -7.680 -11.937 0.48 0.02 C ATOM 389 O GLU A 186 3.743 -8.493 -12.444 -0.48 0.02 O ATOM 390 CB GLU A 186 6.532 -7.764 -13.418 -0.20 0.02 C ATOM 391 CG GLU A 186 6.852 -7.434 -14.866 -0.45 0.02 C ATOM 392 CD GLU A 186 7.723 -8.485 -15.525 0.49 0.02 C ATOM 393 OE1 GLU A 186 7.623 -9.668 -15.134 -0.62 0.02 O ATOM 394 OE2 GLU A 186 8.504 -8.128 -16.431 -0.62 0.02 O ATOM 0 H GLU A 186 7.063 -5.972 -11.782 -0.36 0.02 H new ATOM 0 HA GLU A 186 4.893 -6.392 -13.608 1.00 0.02 H new ATOM 0 HB2 GLU A 186 7.445 -7.689 -12.827 -0.20 0.02 H new ATOM 0 HB3 GLU A 186 6.196 -8.799 -13.356 -0.20 0.02 H new ATOM 0 HG2 GLU A 186 5.922 -7.335 -15.426 -0.45 0.02 H new ATOM 0 HG3 GLU A 186 7.356 -6.469 -14.912 -0.45 0.02 H new ATOM 401 N CYS A 187 4.570 -7.453 -10.625 -0.36 0.02 N ATOM 402 CA CYS A 187 3.709 -8.161 -9.693 1.00 0.02 C ATOM 403 C CYS A 187 2.266 -7.726 -9.912 0.48 0.02 C ATOM 404 O CYS A 187 2.012 -6.544 -10.143 -0.48 0.02 O ATOM 405 CB CYS A 187 4.137 -7.863 -8.248 0.20 0.02 C ATOM 406 SG CYS A 187 3.971 -9.270 -7.102 -0.20 0.02 S ATOM 0 H CYS A 187 5.204 -6.783 -10.189 -0.36 0.02 H new ATOM 0 HA CYS A 187 3.794 -9.234 -9.865 1.00 0.02 H new ATOM 0 HB2 CYS A 187 5.176 -7.535 -8.251 0.20 0.02 H new ATOM 0 HB3 CYS A 187 3.541 -7.032 -7.871 0.20 0.02 H new ATOM 411 N PRO A 188 1.295 -8.663 -9.843 -0.36 0.02 N ATOM 412 CA PRO A 188 -0.120 -8.340 -10.030 1.00 0.02 C ATOM 413 C PRO A 188 -0.435 -6.971 -9.452 0.48 0.02 C ATOM 414 O PRO A 188 0.226 -6.549 -8.511 -0.48 0.02 O ATOM 415 CB PRO A 188 -0.813 -9.451 -9.249 -0.20 0.02 C ATOM 416 CG PRO A 188 0.091 -10.633 -9.402 -0.20 0.02 C ATOM 417 CD PRO A 188 1.495 -10.096 -9.566 0.06 0.02 C ATOM 0 HA PRO A 188 -0.432 -8.291 -11.073 1.00 0.02 H new ATOM 0 HB2 PRO A 188 -0.939 -9.181 -8.201 -0.20 0.02 H new ATOM 0 HB3 PRO A 188 -1.807 -9.656 -9.647 -0.20 0.02 H new ATOM 0 HG2 PRO A 188 0.026 -11.284 -8.530 -0.20 0.02 H new ATOM 0 HG3 PRO A 188 -0.197 -11.230 -10.267 -0.20 0.02 H new ATOM 0 HD2 PRO A 188 2.090 -10.250 -8.665 0.06 0.02 H new ATOM 0 HD3 PRO A 188 2.020 -10.592 -10.383 0.06 0.02 H new ATOM 425 N GLU A 189 -1.407 -6.256 -10.016 -0.36 0.02 N ATOM 426 CA GLU A 189 -1.729 -4.914 -9.523 1.00 0.02 C ATOM 427 C GLU A 189 -0.457 -4.222 -9.068 0.48 0.02 C ATOM 428 O GLU A 189 0.603 -4.443 -9.657 -0.48 0.02 O ATOM 429 CB GLU A 189 -2.764 -4.981 -8.393 -0.20 0.02 C ATOM 430 CG GLU A 189 -3.787 -6.091 -8.567 -0.45 0.02 C ATOM 431 CD GLU A 189 -4.706 -5.857 -9.750 0.49 0.02 C ATOM 432 OE1 GLU A 189 -5.355 -4.791 -9.795 -0.62 0.02 O ATOM 433 OE2 GLU A 189 -4.777 -6.739 -10.631 -0.62 0.02 O ATOM 0 H GLU A 189 -1.977 -6.574 -10.800 -0.36 0.02 H new ATOM 0 HA GLU A 189 -2.171 -4.332 -10.332 1.00 0.02 H new ATOM 0 HB2 GLU A 189 -2.245 -5.122 -7.445 -0.20 0.02 H new ATOM 0 HB3 GLU A 189 -3.285 -4.025 -8.332 -0.20 0.02 H new ATOM 0 HG2 GLU A 189 -3.268 -7.041 -8.697 -0.45 0.02 H new ATOM 0 HG3 GLU A 189 -4.384 -6.175 -7.659 -0.45 0.02 H new ATOM 440 N GLY A 190 -0.518 -3.443 -8.002 -0.36 0.02 N ATOM 441 CA GLY A 190 0.684 -2.837 -7.508 -0.10 0.02 C ATOM 442 C GLY A 190 1.277 -3.740 -6.461 0.48 0.02 C ATOM 443 O GLY A 190 1.832 -3.276 -5.476 -0.48 0.02 O ATOM 0 H GLY A 190 -1.367 -3.225 -7.481 -0.36 0.02 H new ATOM 0 HA2 GLY A 190 1.393 -2.683 -8.322 -0.10 0.02 H new ATOM 0 HA3 GLY A 190 0.468 -1.856 -7.084 -0.10 0.02 H new ATOM 447 N TYR A 191 1.152 -5.053 -6.690 -0.36 0.02 N ATOM 448 CA TYR A 191 1.671 -6.047 -5.760 1.00 0.02 C ATOM 449 C TYR A 191 3.146 -5.836 -5.489 0.48 0.02 C ATOM 450 O TYR A 191 3.928 -5.477 -6.369 -0.48 0.02 O ATOM 451 CB TYR A 191 1.473 -7.469 -6.294 -0.20 0.02 C ATOM 452 CG TYR A 191 0.076 -8.027 -6.127 1.00 0.02 C ATOM 453 CD1 TYR A 191 -1.047 -7.247 -6.361 -0.14 0.02 C ATOM 454 CD2 TYR A 191 -0.114 -9.349 -5.741 -0.14 0.02 C ATOM 455 CE1 TYR A 191 -2.320 -7.767 -6.216 -0.14 0.02 C ATOM 456 CE2 TYR A 191 -1.382 -9.876 -5.595 -0.14 0.02 C ATOM 457 CZ TYR A 191 -2.481 -9.081 -5.834 0.20 0.02 C ATOM 458 OH TYR A 191 -3.747 -9.601 -5.690 -0.60 0.02 O ATOM 0 H TYR A 191 0.695 -5.446 -7.513 -0.36 0.02 H new ATOM 0 HA TYR A 191 1.111 -5.925 -4.833 1.00 0.02 H new ATOM 0 HB2 TYR A 191 1.729 -7.482 -7.354 -0.20 0.02 H new ATOM 0 HB3 TYR A 191 2.175 -8.132 -5.789 -0.20 0.02 H new ATOM 0 HD1 TYR A 191 -0.925 -6.217 -6.661 -0.14 0.02 H new ATOM 0 HD2 TYR A 191 0.746 -9.975 -5.552 -0.14 0.02 H new ATOM 0 HE1 TYR A 191 -3.184 -7.146 -6.401 -0.14 0.02 H new ATOM 0 HE2 TYR A 191 -1.511 -10.905 -5.295 -0.14 0.02 H new ATOM 0 HH TYR A 191 -3.686 -10.540 -5.417 -0.60 0.02 H new ATOM 468 N ARG A 192 3.496 -6.097 -4.255 -0.36 0.02 N ATOM 469 CA ARG A 192 4.873 -5.989 -3.791 1.00 0.02 C ATOM 470 C ARG A 192 5.577 -7.340 -3.915 0.48 0.02 C ATOM 471 O ARG A 192 4.970 -8.389 -3.708 -0.48 0.02 O ATOM 472 CB ARG A 192 4.915 -5.502 -2.341 -0.20 0.02 C ATOM 473 CG ARG A 192 5.179 -4.009 -2.211 -0.20 0.02 C ATOM 474 CD ARG A 192 5.238 -3.562 -0.755 -0.10 0.02 C ATOM 475 NE ARG A 192 4.512 -4.464 0.139 -0.60 0.02 N ATOM 476 CZ ARG A 192 5.046 -5.552 0.693 0.60 0.02 C ATOM 477 NH1 ARG A 192 6.305 -5.887 0.440 -0.60 0.02 N ATOM 478 NH2 ARG A 192 4.316 -6.309 1.501 -0.60 0.02 N ATOM 0 H ARG A 192 2.838 -6.392 -3.534 -0.36 0.02 H new ATOM 0 HA ARG A 192 5.393 -5.261 -4.414 1.00 0.02 H new ATOM 0 HB2 ARG A 192 3.967 -5.739 -1.859 -0.20 0.02 H new ATOM 0 HB3 ARG A 192 5.691 -6.048 -1.805 -0.20 0.02 H new ATOM 0 HG2 ARG A 192 6.120 -3.763 -2.704 -0.20 0.02 H new ATOM 0 HG3 ARG A 192 4.395 -3.456 -2.728 -0.20 0.02 H new ATOM 0 HD2 ARG A 192 6.279 -3.503 -0.439 -0.10 0.02 H new ATOM 0 HD3 ARG A 192 4.821 -2.558 -0.669 -0.10 0.02 H new ATOM 0 HE ARG A 192 3.538 -4.247 0.351 -0.60 0.02 H new ATOM 0 HH11 ARG A 192 6.871 -5.310 -0.182 -0.60 0.02 H new ATOM 0 HH12 ARG A 192 6.707 -6.721 0.868 -0.60 0.02 H new ATOM 0 HH21 ARG A 192 3.347 -6.058 1.698 -0.60 0.02 H new ATOM 0 HH22 ARG A 192 4.723 -7.142 1.926 -0.60 0.02 H new ATOM 492 N TYR A 193 6.857 -7.308 -4.259 -0.36 0.02 N ATOM 493 CA TYR A 193 7.651 -8.516 -4.422 1.00 0.02 C ATOM 494 C TYR A 193 8.843 -8.483 -3.474 0.48 0.02 C ATOM 495 O TYR A 193 9.260 -7.416 -3.026 -0.48 0.02 O ATOM 496 CB TYR A 193 8.114 -8.604 -5.874 -0.20 0.02 C ATOM 497 CG TYR A 193 8.924 -9.827 -6.192 1.00 0.02 C ATOM 498 CD1 TYR A 193 10.286 -9.853 -5.951 -0.14 0.02 C ATOM 499 CD2 TYR A 193 8.329 -10.945 -6.748 -0.14 0.02 C ATOM 500 CE1 TYR A 193 11.042 -10.968 -6.260 -0.14 0.02 C ATOM 501 CE2 TYR A 193 9.068 -12.066 -7.056 -0.14 0.02 C ATOM 502 CZ TYR A 193 10.427 -12.074 -6.812 0.20 0.02 C ATOM 503 OH TYR A 193 11.175 -13.185 -7.129 -0.60 0.02 O ATOM 0 H TYR A 193 7.373 -6.445 -4.432 -0.36 0.02 H new ATOM 0 HA TYR A 193 7.053 -9.395 -4.182 1.00 0.02 H new ATOM 0 HB2 TYR A 193 7.239 -8.583 -6.524 -0.20 0.02 H new ATOM 0 HB3 TYR A 193 8.706 -7.719 -6.108 -0.20 0.02 H new ATOM 0 HD1 TYR A 193 10.766 -8.989 -5.515 -0.14 0.02 H new ATOM 0 HD2 TYR A 193 7.267 -10.939 -6.944 -0.14 0.02 H new ATOM 0 HE1 TYR A 193 12.105 -10.974 -6.071 -0.14 0.02 H new ATOM 0 HE2 TYR A 193 8.588 -12.933 -7.485 -0.14 0.02 H new ATOM 0 HH TYR A 193 10.586 -13.964 -7.207 -0.60 0.02 H new ATOM 513 N ASN A 194 9.386 -9.651 -3.162 -0.36 0.02 N ATOM 514 CA ASN A 194 10.525 -9.733 -2.260 1.00 0.02 C ATOM 515 C ASN A 194 11.608 -10.633 -2.836 0.48 0.02 C ATOM 516 O ASN A 194 11.325 -11.746 -3.282 -0.48 0.02 O ATOM 517 CB ASN A 194 10.083 -10.256 -0.890 -0.20 0.02 C ATOM 518 CG ASN A 194 10.598 -9.399 0.249 0.48 0.02 C ATOM 519 OD1 ASN A 194 10.967 -8.241 0.053 -0.48 0.02 O ATOM 520 ND2 ASN A 194 10.626 -9.966 1.450 -0.52 0.02 N ATOM 0 H ASN A 194 9.059 -10.549 -3.518 -0.36 0.02 H new ATOM 0 HA ASN A 194 10.936 -8.730 -2.141 1.00 0.02 H new ATOM 0 HB2 ASN A 194 8.994 -10.291 -0.851 -0.20 0.02 H new ATOM 0 HB3 ASN A 194 10.439 -11.278 -0.762 -0.20 0.02 H new ATOM 0 HD21 ASN A 194 10.963 -9.438 2.255 -0.52 0.02 H new ATOM 0 HD22 ASN A 194 10.310 -10.929 1.567 -0.52 0.02 H new ATOM 527 N LEU A 195 12.846 -10.142 -2.816 -0.36 0.02 N ATOM 528 CA LEU A 195 13.984 -10.896 -3.329 1.00 0.02 C ATOM 529 C LEU A 195 14.417 -11.964 -2.329 0.48 0.02 C ATOM 530 O LEU A 195 15.044 -12.957 -2.699 -0.48 0.02 O ATOM 531 CB LEU A 195 15.154 -9.955 -3.628 -0.20 0.02 C ATOM 532 CG LEU A 195 16.319 -10.592 -4.390 -0.10 0.02 C ATOM 533 CD1 LEU A 195 16.901 -9.610 -5.395 -0.30 0.02 C ATOM 534 CD2 LEU A 195 17.392 -11.065 -3.422 -0.30 0.02 C ATOM 0 H LEU A 195 13.085 -9.221 -2.448 -0.36 0.02 H new ATOM 0 HA LEU A 195 13.679 -11.387 -4.253 1.00 0.02 H new ATOM 0 HB2 LEU A 195 14.782 -9.109 -4.205 -0.20 0.02 H new ATOM 0 HB3 LEU A 195 15.530 -9.557 -2.686 -0.20 0.02 H new ATOM 0 HG LEU A 195 15.942 -11.457 -4.936 -0.10 0.02 H new ATOM 0 HD11 LEU A 195 17.728 -10.081 -5.927 -0.30 0.02 H new ATOM 0 HD12 LEU A 195 16.130 -9.319 -6.108 -0.30 0.02 H new ATOM 0 HD13 LEU A 195 17.263 -8.725 -4.871 -0.30 0.02 H new ATOM 0 HD21 LEU A 195 18.213 -11.515 -3.980 -0.30 0.02 H new ATOM 0 HD22 LEU A 195 17.765 -10.216 -2.849 -0.30 0.02 H new ATOM 0 HD23 LEU A 195 16.968 -11.803 -2.741 -0.30 0.02 H new ATOM 546 N LYS A 196 14.058 -11.763 -1.064 -0.36 0.02 N ATOM 547 CA LYS A 196 14.389 -12.718 -0.016 1.00 0.02 C ATOM 548 C LYS A 196 13.635 -14.011 -0.257 0.48 0.02 C ATOM 549 O LYS A 196 14.182 -15.108 -0.144 -0.48 0.02 O ATOM 550 CB LYS A 196 14.017 -12.152 1.351 -0.20 0.02 C ATOM 551 CG LYS A 196 15.051 -11.196 1.903 -0.20 0.02 C ATOM 552 CD LYS A 196 14.760 -9.761 1.496 -0.20 0.02 C ATOM 553 CE LYS A 196 13.754 -9.110 2.431 0.30 5.02 C ATOM 554 NZ LYS A 196 14.325 -8.875 3.786 -0.81 0.02 N ATOM 0 H LYS A 196 13.538 -10.947 -0.742 -0.36 0.02 H new ATOM 0 HA LYS A 196 15.462 -12.911 -0.035 1.00 0.02 H new ATOM 0 HB2 LYS A 196 13.059 -11.637 1.275 -0.20 0.02 H new ATOM 0 HB3 LYS A 196 13.881 -12.975 2.053 -0.20 0.02 H new ATOM 0 HG2 LYS A 196 15.071 -11.269 2.990 -0.20 0.02 H new ATOM 0 HG3 LYS A 196 16.040 -11.483 1.546 -0.20 0.02 H new ATOM 0 HD2 LYS A 196 15.686 -9.186 1.499 -0.20 0.02 H new ATOM 0 HD3 LYS A 196 14.376 -9.742 0.476 -0.20 0.02 H new ATOM 0 HE2 LYS A 196 13.425 -8.162 2.006 0.30 5.02 H new ATOM 0 HE3 LYS A 196 12.872 -9.745 2.514 0.30 5.02 H new ATOM 0 HZ1 LYS A 196 13.764 -8.150 4.278 -0.81 0.02 H new ATOM 0 HZ2 LYS A 196 14.301 -9.760 4.331 -0.81 0.02 H new ATOM 0 HZ3 LYS A 196 15.309 -8.550 3.697 -0.81 0.02 H new ATOM 568 N SER A 197 12.371 -13.852 -0.611 -0.36 0.02 N ATOM 569 CA SER A 197 11.502 -14.980 -0.902 1.00 0.02 C ATOM 570 C SER A 197 11.365 -15.157 -2.409 0.48 0.02 C ATOM 571 O SER A 197 10.882 -16.184 -2.880 -0.48 0.02 O ATOM 572 CB SER A 197 10.124 -14.771 -0.270 0.08 0.02 C ATOM 573 OG SER A 197 10.190 -14.866 1.142 -0.68 0.02 O ATOM 0 H SER A 197 11.920 -12.942 -0.705 -0.36 0.02 H new ATOM 0 HA SER A 197 11.946 -15.880 -0.477 1.00 0.02 H new ATOM 0 HB2 SER A 197 9.735 -13.793 -0.554 0.08 0.02 H new ATOM 0 HB3 SER A 197 9.427 -15.515 -0.655 0.08 0.02 H new ATOM 0 HG SER A 197 9.297 -14.727 1.521 -0.68 0.02 H new ATOM 579 N LYS A 198 11.746 -14.114 -3.153 -0.36 0.02 N ATOM 580 CA LYS A 198 11.638 -14.108 -4.612 1.00 0.02 C ATOM 581 C LYS A 198 10.227 -14.499 -5.011 0.48 0.02 C ATOM 582 O LYS A 198 9.998 -15.182 -6.010 -0.48 0.02 O ATOM 583 CB LYS A 198 12.666 -15.038 -5.271 -0.20 0.02 C ATOM 584 CG LYS A 198 13.518 -15.815 -4.287 -0.20 0.02 C ATOM 585 CD LYS A 198 12.910 -17.173 -3.991 -0.20 0.02 C ATOM 586 CE LYS A 198 13.755 -18.304 -4.554 0.30 5.02 C ATOM 587 NZ LYS A 198 15.041 -18.455 -3.820 -0.81 0.02 N ATOM 0 H LYS A 198 12.135 -13.256 -2.762 -0.36 0.02 H new ATOM 0 HA LYS A 198 11.854 -13.100 -4.966 1.00 0.02 H new ATOM 0 HB2 LYS A 198 12.141 -15.743 -5.916 -0.20 0.02 H new ATOM 0 HB3 LYS A 198 13.319 -14.445 -5.911 -0.20 0.02 H new ATOM 0 HG2 LYS A 198 14.522 -15.943 -4.692 -0.20 0.02 H new ATOM 0 HG3 LYS A 198 13.618 -15.248 -3.361 -0.20 0.02 H new ATOM 0 HD2 LYS A 198 12.807 -17.298 -2.913 -0.20 0.02 H new ATOM 0 HD3 LYS A 198 11.907 -17.223 -4.415 -0.20 0.02 H new ATOM 0 HE2 LYS A 198 13.195 -19.237 -4.500 0.30 5.02 H new ATOM 0 HE3 LYS A 198 13.959 -18.115 -5.608 0.30 5.02 H new ATOM 0 HZ1 LYS A 198 15.493 -19.351 -4.093 -0.81 0.02 H new ATOM 0 HZ2 LYS A 198 15.671 -17.662 -4.057 -0.81 0.02 H new ATOM 0 HZ3 LYS A 198 14.858 -18.458 -2.796 -0.81 0.02 H new ATOM 601 N SER A 199 9.295 -14.055 -4.190 -0.36 0.02 N ATOM 602 CA SER A 199 7.880 -14.338 -4.395 1.00 0.02 C ATOM 603 C SER A 199 7.101 -13.065 -4.690 0.48 0.02 C ATOM 604 O SER A 199 7.559 -11.962 -4.394 -0.48 0.02 O ATOM 605 CB SER A 199 7.296 -15.032 -3.163 0.08 0.02 C ATOM 606 OG SER A 199 7.742 -16.373 -3.073 -0.68 0.02 O ATOM 0 H SER A 199 9.492 -13.490 -3.364 -0.36 0.02 H new ATOM 0 HA SER A 199 7.792 -15.000 -5.257 1.00 0.02 H new ATOM 0 HB2 SER A 199 7.586 -14.488 -2.264 0.08 0.02 H new ATOM 0 HB3 SER A 199 6.207 -15.010 -3.212 0.08 0.02 H new ATOM 0 HG SER A 199 8.721 -16.390 -3.027 -0.68 0.02 H new ATOM 612 N CYS A 200 5.908 -13.228 -5.252 -0.36 0.02 N ATOM 613 CA CYS A 200 5.046 -12.100 -5.566 1.00 0.02 C ATOM 614 C CYS A 200 3.907 -12.043 -4.550 0.48 0.02 C ATOM 615 O CYS A 200 3.249 -13.054 -4.304 -0.48 0.02 O ATOM 616 CB CYS A 200 4.490 -12.241 -6.986 0.20 0.02 C ATOM 617 SG CYS A 200 4.848 -10.821 -8.069 -0.20 0.02 S ATOM 0 H CYS A 200 5.517 -14.137 -5.500 -0.36 0.02 H new ATOM 0 HA CYS A 200 5.621 -11.175 -5.515 1.00 0.02 H new ATOM 0 HB2 CYS A 200 4.903 -13.143 -7.439 0.20 0.02 H new ATOM 0 HB3 CYS A 200 3.410 -12.378 -6.930 0.20 0.02 H new ATOM 622 N GLU A 201 3.674 -10.878 -3.950 -0.36 0.02 N ATOM 623 CA GLU A 201 2.609 -10.754 -2.958 1.00 0.02 C ATOM 624 C GLU A 201 1.965 -9.369 -2.961 0.48 0.02 C ATOM 625 O GLU A 201 2.645 -8.355 -3.094 -0.48 0.02 O ATOM 626 CB GLU A 201 3.154 -11.063 -1.563 -0.20 0.02 C ATOM 627 CG GLU A 201 3.648 -12.492 -1.405 -0.45 0.02 C ATOM 628 CD GLU A 201 3.936 -12.851 0.039 0.49 0.02 C ATOM 629 OE1 GLU A 201 5.030 -12.503 0.531 -0.62 0.02 O ATOM 630 OE2 GLU A 201 3.068 -13.481 0.679 -0.62 0.02 O ATOM 0 H GLU A 201 4.197 -10.021 -4.129 -0.36 0.02 H new ATOM 0 HA GLU A 201 1.837 -11.475 -3.227 1.00 0.02 H new ATOM 0 HB2 GLU A 201 3.973 -10.378 -1.342 -0.20 0.02 H new ATOM 0 HB3 GLU A 201 2.373 -10.874 -0.827 -0.20 0.02 H new ATOM 0 HG2 GLU A 201 2.900 -13.178 -1.804 -0.45 0.02 H new ATOM 0 HG3 GLU A 201 4.553 -12.628 -1.997 -0.45 0.02 H new ATOM 637 N ASP A 202 0.644 -9.347 -2.785 -0.36 0.02 N ATOM 638 CA ASP A 202 -0.125 -8.114 -2.732 1.00 0.02 C ATOM 639 C ASP A 202 0.637 -7.037 -1.974 0.48 0.02 C ATOM 640 O ASP A 202 1.440 -7.325 -1.087 -0.48 0.02 O ATOM 641 CB ASP A 202 -1.495 -8.364 -2.087 -0.45 0.02 C ATOM 642 CG ASP A 202 -1.461 -8.313 -0.570 0.49 0.02 C ATOM 643 OD1 ASP A 202 -0.918 -9.256 0.044 -0.62 0.02 O ATOM 644 OD2 ASP A 202 -1.979 -7.330 0.001 -0.62 0.02 O ATOM 0 H ASP A 202 0.080 -10.189 -2.675 -0.36 0.02 H new ATOM 0 HA ASP A 202 -0.283 -7.764 -3.752 1.00 0.02 H new ATOM 0 HB2 ASP A 202 -2.203 -7.620 -2.453 -0.45 0.02 H new ATOM 0 HB3 ASP A 202 -1.865 -9.339 -2.403 -0.45 0.02 H new ATOM 649 N ILE A 203 0.407 -5.806 -2.370 -0.36 0.02 N ATOM 650 CA ILE A 203 1.086 -4.665 -1.790 1.00 0.02 C ATOM 651 C ILE A 203 0.417 -4.153 -0.510 0.48 0.02 C ATOM 652 O ILE A 203 -0.731 -4.495 -0.203 -0.48 0.02 O ATOM 653 CB ILE A 203 1.160 -3.560 -2.847 -0.10 0.02 C ATOM 654 CG1 ILE A 203 2.053 -2.408 -2.416 -0.20 0.02 C ATOM 655 CG2 ILE A 203 -0.225 -3.066 -3.196 -0.30 0.02 C ATOM 656 CD1 ILE A 203 2.697 -1.729 -3.597 -0.30 0.02 C ATOM 0 H ILE A 203 -0.258 -5.565 -3.105 -0.36 0.02 H new ATOM 0 HA ILE A 203 2.086 -4.978 -1.492 1.00 0.02 H new ATOM 0 HB ILE A 203 1.612 -3.995 -3.738 -0.10 0.02 H new ATOM 0 HG12 ILE A 203 1.465 -1.682 -1.855 -0.20 0.02 H new ATOM 0 HG13 ILE A 203 2.826 -2.779 -1.744 -0.20 0.02 H new ATOM 0 HG21 ILE A 203 -0.152 -2.281 -3.949 -0.30 0.02 H new ATOM 0 HG22 ILE A 203 -0.818 -3.892 -3.589 -0.30 0.02 H new ATOM 0 HG23 ILE A 203 -0.705 -2.668 -2.302 -0.30 0.02 H new ATOM 0 HD11 ILE A 203 3.327 -0.911 -3.247 -0.30 0.02 H new ATOM 0 HD12 ILE A 203 3.307 -2.449 -4.143 -0.30 0.02 H new ATOM 0 HD13 ILE A 203 1.924 -1.335 -4.256 -0.30 0.02 H new ATOM 668 N ASP A 204 1.164 -3.311 0.210 -0.36 0.02 N ATOM 669 CA ASP A 204 0.700 -2.702 1.454 1.00 0.02 C ATOM 670 C ASP A 204 0.305 -1.246 1.213 0.48 0.02 C ATOM 671 O ASP A 204 0.861 -0.322 1.808 -0.48 0.02 O ATOM 672 CB ASP A 204 1.789 -2.793 2.528 -0.45 0.02 C ATOM 673 CG ASP A 204 1.337 -3.574 3.746 0.49 0.02 C ATOM 674 OD1 ASP A 204 0.210 -3.326 4.225 -0.62 0.02 O ATOM 675 OD2 ASP A 204 2.109 -4.433 4.221 -0.62 0.02 O ATOM 0 H ASP A 204 2.109 -3.034 -0.056 -0.36 0.02 H new ATOM 0 HA ASP A 204 -0.177 -3.245 1.805 1.00 0.02 H new ATOM 0 HB2 ASP A 204 2.674 -3.267 2.104 -0.45 0.02 H new ATOM 0 HB3 ASP A 204 2.080 -1.788 2.832 -0.45 0.02 H new ATOM 680 N GLU A 205 -0.652 -1.063 0.316 -0.36 0.02 N ATOM 681 CA GLU A 205 -1.148 0.258 -0.060 1.00 0.02 C ATOM 682 C GLU A 205 -1.488 1.143 1.145 0.48 0.02 C ATOM 683 O GLU A 205 -1.398 2.366 1.060 -0.48 0.02 O ATOM 684 CB GLU A 205 -2.388 0.111 -0.939 -0.20 0.02 C ATOM 685 CG GLU A 205 -2.215 -0.880 -2.078 -0.45 0.02 C ATOM 686 CD GLU A 205 -3.072 -2.126 -1.915 0.49 0.02 C ATOM 687 OE1 GLU A 205 -2.654 -3.047 -1.180 -0.62 0.02 O ATOM 688 OE2 GLU A 205 -4.159 -2.181 -2.522 -0.62 0.02 O ATOM 0 H GLU A 205 -1.111 -1.830 -0.176 -0.36 0.02 H new ATOM 0 HA GLU A 205 -0.342 0.750 -0.603 1.00 0.02 H new ATOM 0 HB2 GLU A 205 -3.227 -0.205 -0.319 -0.20 0.02 H new ATOM 0 HB3 GLU A 205 -2.647 1.086 -1.353 -0.20 0.02 H new ATOM 0 HG2 GLU A 205 -2.468 -0.392 -3.019 -0.45 0.02 H new ATOM 0 HG3 GLU A 205 -1.167 -1.172 -2.142 -0.45 0.02 H new ATOM 695 N CYS A 206 -1.898 0.537 2.255 -0.36 0.02 N ATOM 696 CA CYS A 206 -2.269 1.308 3.443 1.00 0.02 C ATOM 697 C CYS A 206 -1.076 1.546 4.361 0.48 0.02 C ATOM 698 O CYS A 206 -1.035 2.535 5.093 -0.48 0.02 O ATOM 699 CB CYS A 206 -3.414 0.618 4.200 0.20 0.02 C ATOM 700 SG CYS A 206 -2.910 -0.641 5.418 -0.20 0.02 S ATOM 0 H CYS A 206 -1.982 -0.474 2.360 -0.36 0.02 H new ATOM 0 HA CYS A 206 -2.616 2.285 3.105 1.00 0.02 H new ATOM 0 HB2 CYS A 206 -3.997 1.382 4.714 0.20 0.02 H new ATOM 0 HB3 CYS A 206 -4.075 0.148 3.472 0.20 0.02 H new ATOM 705 N SER A 207 -0.105 0.646 4.314 -0.36 0.02 N ATOM 706 CA SER A 207 1.087 0.779 5.142 1.00 0.02 C ATOM 707 C SER A 207 1.778 2.108 4.858 0.48 0.02 C ATOM 708 O SER A 207 2.545 2.612 5.679 -0.48 0.02 O ATOM 709 CB SER A 207 2.051 -0.379 4.883 0.08 0.02 C ATOM 710 OG SER A 207 2.947 -0.549 5.967 -0.68 0.02 O ATOM 0 H SER A 207 -0.117 -0.180 3.716 -0.36 0.02 H new ATOM 0 HA SER A 207 0.786 0.753 6.189 1.00 0.02 H new ATOM 0 HB2 SER A 207 1.486 -1.298 4.726 0.08 0.02 H new ATOM 0 HB3 SER A 207 2.613 -0.191 3.968 0.08 0.02 H new ATOM 0 HG SER A 207 3.552 -1.296 5.777 -0.68 0.02 H new ATOM 716 N GLU A 208 1.538 2.640 3.664 -0.36 0.02 N ATOM 717 CA GLU A 208 2.169 3.875 3.226 1.00 0.02 C ATOM 718 C GLU A 208 1.525 5.110 3.851 0.48 0.02 C ATOM 719 O GLU A 208 2.173 5.811 4.626 -0.48 0.02 O ATOM 720 CB GLU A 208 2.081 3.962 1.703 -0.20 0.02 C ATOM 721 CG GLU A 208 3.191 3.216 0.982 -0.45 0.02 C ATOM 722 CD GLU A 208 4.033 4.123 0.106 0.49 0.02 C ATOM 723 OE1 GLU A 208 4.846 4.894 0.659 -0.62 0.02 O ATOM 724 OE2 GLU A 208 3.881 4.061 -1.132 -0.62 0.02 O ATOM 0 H GLU A 208 0.905 2.229 2.978 -0.36 0.02 H new ATOM 0 HA GLU A 208 3.209 3.856 3.552 1.00 0.02 H new ATOM 0 HB2 GLU A 208 1.119 3.564 1.380 -0.20 0.02 H new ATOM 0 HB3 GLU A 208 2.108 5.010 1.406 -0.20 0.02 H new ATOM 0 HG2 GLU A 208 3.833 2.729 1.717 -0.45 0.02 H new ATOM 0 HG3 GLU A 208 2.754 2.428 0.368 -0.45 0.02 H new ATOM 731 N ASN A 209 0.256 5.374 3.526 -0.36 0.02 N ATOM 732 CA ASN A 209 -0.467 6.532 4.067 1.00 0.02 C ATOM 733 C ASN A 209 -1.680 6.843 3.191 0.48 0.02 C ATOM 734 O ASN A 209 -1.771 7.917 2.595 -0.48 0.02 O ATOM 735 CB ASN A 209 0.439 7.771 4.154 -0.20 0.02 C ATOM 736 CG ASN A 209 -0.311 9.014 4.596 0.48 0.02 C ATOM 737 OD1 ASN A 209 -1.370 8.926 5.218 -0.48 0.02 O ATOM 738 ND2 ASN A 209 0.237 10.181 4.276 -0.52 0.02 N ATOM 0 H ASN A 209 -0.295 4.799 2.888 -0.36 0.02 H new ATOM 0 HA ASN A 209 -0.795 6.280 5.076 1.00 0.02 H new ATOM 0 HB2 ASN A 209 1.251 7.574 4.853 -0.20 0.02 H new ATOM 0 HB3 ASN A 209 0.894 7.953 3.180 -0.20 0.02 H new ATOM 0 HD21 ASN A 209 -0.221 11.051 4.547 -0.52 0.02 H new ATOM 0 HD22 ASN A 209 1.116 10.207 3.760 -0.52 0.02 H new ATOM 745 N MET A 210 -2.601 5.890 3.103 -0.36 0.02 N ATOM 746 CA MET A 210 -3.796 6.067 2.281 1.00 0.02 C ATOM 747 C MET A 210 -5.069 5.968 3.080 0.48 0.02 C ATOM 748 O MET A 210 -6.049 6.645 2.768 -0.48 0.02 O ATOM 749 CB MET A 210 -3.826 5.045 1.140 -0.20 0.02 C ATOM 750 CG MET A 210 -2.475 4.806 0.487 -0.11 5.02 C ATOM 751 SD MET A 210 -2.062 6.055 -0.745 -0.17 0.02 S ATOM 752 CE MET A 210 -1.526 5.018 -2.104 -0.21 5.02 C ATOM 0 H MET A 210 -2.546 4.993 3.586 -0.36 0.02 H new ATOM 0 HA MET A 210 -3.741 7.075 1.870 1.00 0.02 H new ATOM 0 HB2 MET A 210 -4.205 4.098 1.524 -0.20 0.02 H new ATOM 0 HB3 MET A 210 -4.530 5.385 0.380 -0.20 0.02 H new ATOM 0 HG2 MET A 210 -1.703 4.792 1.256 -0.11 5.02 H new ATOM 0 HG3 MET A 210 -2.474 3.823 0.016 -0.11 5.02 H new ATOM 0 HE1 MET A 210 -1.236 5.645 -2.947 -0.21 5.02 H new ATOM 0 HE2 MET A 210 -0.674 4.417 -1.788 -0.21 5.02 H new ATOM 0 HE3 MET A 210 -2.342 4.361 -2.404 -0.21 5.02 H new ATOM 762 N CYS A 211 -5.092 5.106 4.072 -0.36 0.02 N ATOM 763 CA CYS A 211 -6.306 4.936 4.832 1.00 0.02 C ATOM 764 C CYS A 211 -6.418 5.861 6.025 0.48 0.02 C ATOM 765 O CYS A 211 -5.501 6.616 6.348 -0.48 0.02 O ATOM 766 CB CYS A 211 -6.472 3.479 5.233 0.20 0.02 C ATOM 767 SG CYS A 211 -6.550 2.372 3.793 -0.20 0.02 S ATOM 0 H CYS A 211 -4.305 4.526 4.365 -0.36 0.02 H new ATOM 0 HA CYS A 211 -7.128 5.223 4.176 1.00 0.02 H new ATOM 0 HB2 CYS A 211 -5.640 3.183 5.871 0.20 0.02 H new ATOM 0 HB3 CYS A 211 -7.382 3.368 5.823 0.20 0.02 H new ATOM 772 N ALA A 212 -7.588 5.807 6.652 -0.36 0.02 N ATOM 773 CA ALA A 212 -7.880 6.651 7.789 1.00 0.02 C ATOM 774 C ALA A 212 -7.452 5.998 9.106 0.48 0.02 C ATOM 775 O ALA A 212 -6.315 6.167 9.546 -0.48 0.02 O ATOM 776 CB ALA A 212 -9.361 7.016 7.808 -0.30 0.02 C ATOM 0 H ALA A 212 -8.349 5.182 6.385 -0.36 0.02 H new ATOM 0 HA ALA A 212 -7.298 7.567 7.687 1.00 0.02 H new ATOM 0 HB1 ALA A 212 -9.568 7.652 8.669 -0.30 0.02 H new ATOM 0 HB2 ALA A 212 -9.616 7.550 6.893 -0.30 0.02 H new ATOM 0 HB3 ALA A 212 -9.959 6.107 7.876 -0.30 0.02 H new ATOM 782 N GLN A 213 -8.362 5.250 9.732 -0.36 0.02 N ATOM 783 CA GLN A 213 -8.062 4.577 10.993 1.00 0.02 C ATOM 784 C GLN A 213 -7.904 3.080 10.782 0.48 0.02 C ATOM 785 O GLN A 213 -7.113 2.422 11.458 -0.48 0.02 O ATOM 786 CB GLN A 213 -9.156 4.848 12.027 -0.20 0.02 C ATOM 787 CG GLN A 213 -8.744 4.506 13.449 -0.20 0.02 C ATOM 788 CD GLN A 213 -7.767 5.509 14.030 0.48 0.02 C ATOM 789 OE1 GLN A 213 -8.010 6.716 14.004 -0.48 0.02 O ATOM 790 NE2 GLN A 213 -6.654 5.013 14.559 -0.52 0.02 N ATOM 0 H GLN A 213 -9.309 5.096 9.386 -0.36 0.02 H new ATOM 0 HA GLN A 213 -7.120 4.977 11.369 1.00 0.02 H new ATOM 0 HB2 GLN A 213 -9.435 5.901 11.981 -0.20 0.02 H new ATOM 0 HB3 GLN A 213 -10.043 4.271 11.765 -0.20 0.02 H new ATOM 0 HG2 GLN A 213 -9.632 4.462 14.080 -0.20 0.02 H new ATOM 0 HG3 GLN A 213 -8.293 3.514 13.464 -0.20 0.02 H new ATOM 0 HE21 GLN A 213 -6.494 4.006 14.559 -0.52 0.02 H new ATOM 0 HE22 GLN A 213 -5.959 5.640 14.965 -0.52 0.02 H new ATOM 799 N LEU A 214 -8.666 2.554 9.837 -0.36 0.02 N ATOM 800 CA LEU A 214 -8.631 1.140 9.519 1.00 0.02 C ATOM 801 C LEU A 214 -8.389 0.931 8.030 0.48 0.02 C ATOM 802 O LEU A 214 -9.031 1.570 7.202 -0.48 0.02 O ATOM 803 CB LEU A 214 -9.955 0.511 9.917 -0.20 0.02 C ATOM 804 CG LEU A 214 -10.005 -0.061 11.327 -0.10 0.02 C ATOM 805 CD1 LEU A 214 -9.271 -1.393 11.385 -0.30 0.02 C ATOM 806 CD2 LEU A 214 -9.421 0.925 12.328 -0.30 0.02 C ATOM 0 H LEU A 214 -9.322 3.094 9.273 -0.36 0.02 H new ATOM 0 HA LEU A 214 -7.815 0.671 10.069 1.00 0.02 H new ATOM 0 HB2 LEU A 214 -10.739 1.262 9.819 -0.20 0.02 H new ATOM 0 HB3 LEU A 214 -10.187 -0.286 9.211 -0.20 0.02 H new ATOM 0 HG LEU A 214 -11.048 -0.233 11.594 -0.10 0.02 H new ATOM 0 HD11 LEU A 214 -9.316 -1.789 12.399 -0.30 0.02 H new ATOM 0 HD12 LEU A 214 -9.741 -2.098 10.699 -0.30 0.02 H new ATOM 0 HD13 LEU A 214 -8.230 -1.247 11.098 -0.30 0.02 H new ATOM 0 HD21 LEU A 214 -9.466 0.497 13.329 -0.30 0.02 H new ATOM 0 HD22 LEU A 214 -8.383 1.134 12.069 -0.30 0.02 H new ATOM 0 HD23 LEU A 214 -9.995 1.851 12.303 -0.30 0.02 H new ATOM 818 N CYS A 215 -7.445 0.061 7.683 -0.36 0.02 N ATOM 819 CA CYS A 215 -7.136 -0.173 6.285 1.00 0.02 C ATOM 820 C CYS A 215 -7.228 -1.650 5.884 0.48 0.02 C ATOM 821 O CYS A 215 -6.212 -2.344 5.842 -0.48 0.02 O ATOM 822 CB CYS A 215 -5.733 0.351 5.986 0.20 0.02 C ATOM 823 SG CYS A 215 -4.378 -0.546 6.823 -0.20 0.02 S ATOM 0 H CYS A 215 -6.891 -0.484 8.343 -0.36 0.02 H new ATOM 0 HA CYS A 215 -7.885 0.359 5.698 1.00 0.02 H new ATOM 0 HB2 CYS A 215 -5.567 0.307 4.910 0.20 0.02 H new ATOM 0 HB3 CYS A 215 -5.685 1.401 6.273 0.20 0.02 H new ATOM 828 N VAL A 216 -8.423 -2.130 5.524 -0.36 0.02 N ATOM 829 CA VAL A 216 -8.534 -3.511 5.070 1.00 0.02 C ATOM 830 C VAL A 216 -7.976 -3.575 3.672 0.48 0.02 C ATOM 831 O VAL A 216 -8.683 -3.380 2.684 -0.48 0.02 O ATOM 832 CB VAL A 216 -9.971 -4.067 5.051 -0.10 0.02 C ATOM 833 CG1 VAL A 216 -10.127 -5.177 3.999 -0.30 0.02 C ATOM 834 CG2 VAL A 216 -10.371 -4.589 6.425 -0.30 0.02 C ATOM 0 H VAL A 216 -9.295 -1.602 5.538 -0.36 0.02 H new ATOM 0 HA VAL A 216 -7.984 -4.127 5.782 1.00 0.02 H new ATOM 0 HB VAL A 216 -10.635 -3.245 4.782 -0.10 0.02 H new ATOM 0 HG11 VAL A 216 -11.152 -5.548 4.011 -0.30 0.02 H new ATOM 0 HG12 VAL A 216 -9.897 -4.777 3.011 -0.30 0.02 H new ATOM 0 HG13 VAL A 216 -9.443 -5.994 4.228 -0.30 0.02 H new ATOM 0 HG21 VAL A 216 -11.389 -4.976 6.385 -0.30 0.02 H new ATOM 0 HG22 VAL A 216 -9.691 -5.387 6.723 -0.30 0.02 H new ATOM 0 HG23 VAL A 216 -10.319 -3.778 7.152 -0.30 0.02 H new ATOM 844 N ASN A 217 -6.706 -3.837 3.606 -0.36 0.02 N ATOM 845 CA ASN A 217 -6.030 -3.923 2.338 1.00 0.02 C ATOM 846 C ASN A 217 -6.215 -5.312 1.750 0.48 0.02 C ATOM 847 O ASN A 217 -5.557 -6.249 2.205 -0.48 0.02 O ATOM 848 CB ASN A 217 -4.544 -3.636 2.520 -0.20 0.02 C ATOM 849 CG ASN A 217 -3.886 -3.257 1.219 0.48 0.02 C ATOM 850 OD1 ASN A 217 -3.061 -2.224 1.255 -0.48 0.02 O flip ATOM 851 ND2 ASN A 217 -4.126 -3.878 0.187 -0.52 0.02 N flip ATOM 0 H ASN A 217 -6.110 -3.997 4.418 -0.36 0.02 H new ATOM 0 HA ASN A 217 -6.455 -3.185 1.658 1.00 0.02 H new ATOM 0 HB2 ASN A 217 -4.415 -2.829 3.242 -0.20 0.02 H new ATOM 0 HB3 ASN A 217 -4.052 -4.516 2.934 -0.20 0.02 H new ATOM 0 HD21 ASN A 217 -4.770 -4.669 0.206 -0.52 0.02 H new ATOM 0 HD22 ASN A 217 -3.682 -3.603 -0.689 -0.52 0.02 H new ATOM 858 N TYR A 218 -7.105 -5.495 0.758 -0.36 0.02 N ATOM 859 CA TYR A 218 -7.277 -6.837 0.227 1.00 0.02 C ATOM 860 C TYR A 218 -6.289 -7.108 -0.882 0.48 0.02 C ATOM 861 O TYR A 218 -5.653 -6.187 -1.408 -0.48 0.02 O ATOM 862 CB TYR A 218 -8.722 -7.127 -0.226 -0.20 0.02 C ATOM 863 CG TYR A 218 -9.413 -6.054 -1.043 1.00 0.02 C ATOM 864 CD1 TYR A 218 -9.295 -6.015 -2.430 -0.14 0.02 C ATOM 865 CD2 TYR A 218 -10.233 -5.115 -0.429 -0.14 0.02 C ATOM 866 CE1 TYR A 218 -9.973 -5.068 -3.177 -0.14 0.02 C ATOM 867 CE2 TYR A 218 -10.906 -4.161 -1.167 -0.14 0.02 C ATOM 868 CZ TYR A 218 -10.775 -4.142 -2.541 0.20 0.02 C ATOM 869 OH TYR A 218 -11.451 -3.199 -3.280 -0.60 0.02 O ATOM 0 H TYR A 218 -7.682 -4.768 0.334 -0.36 0.02 H new ATOM 0 HA TYR A 218 -7.073 -7.525 1.048 1.00 0.02 H new ATOM 0 HB2 TYR A 218 -8.716 -8.047 -0.810 -0.20 0.02 H new ATOM 0 HB3 TYR A 218 -9.324 -7.317 0.662 -0.20 0.02 H new ATOM 0 HD1 TYR A 218 -8.665 -6.735 -2.930 -0.14 0.02 H new ATOM 0 HD2 TYR A 218 -10.346 -5.131 0.645 -0.14 0.02 H new ATOM 0 HE1 TYR A 218 -9.875 -5.053 -4.252 -0.14 0.02 H new ATOM 0 HE2 TYR A 218 -11.532 -3.433 -0.671 -0.14 0.02 H new ATOM 0 HH TYR A 218 -11.971 -2.624 -2.680 -0.60 0.02 H new ATOM 879 N PRO A 219 -6.104 -8.389 -1.231 -0.36 0.02 N ATOM 880 CA PRO A 219 -5.161 -8.771 -2.257 1.00 0.02 C ATOM 881 C PRO A 219 -5.309 -7.909 -3.504 0.48 0.02 C ATOM 882 O PRO A 219 -6.147 -8.180 -4.364 -0.48 0.02 O ATOM 883 CB PRO A 219 -5.496 -10.242 -2.558 -0.20 0.02 C ATOM 884 CG PRO A 219 -6.728 -10.549 -1.769 -0.20 0.02 C ATOM 885 CD PRO A 219 -6.757 -9.564 -0.638 0.06 0.02 C ATOM 0 HA PRO A 219 -4.129 -8.637 -1.932 1.00 0.02 H new ATOM 0 HB2 PRO A 219 -5.666 -10.394 -3.624 -0.20 0.02 H new ATOM 0 HB3 PRO A 219 -4.674 -10.897 -2.270 -0.20 0.02 H new ATOM 0 HG2 PRO A 219 -7.620 -10.457 -2.389 -0.20 0.02 H new ATOM 0 HG3 PRO A 219 -6.705 -11.572 -1.394 -0.20 0.02 H new ATOM 0 HD2 PRO A 219 -7.775 -9.344 -0.316 0.06 0.02 H new ATOM 0 HD3 PRO A 219 -6.218 -9.931 0.235 0.06 0.02 H new ATOM 893 N GLY A 220 -4.483 -6.875 -3.598 -0.36 0.02 N ATOM 894 CA GLY A 220 -4.526 -5.994 -4.740 -0.10 0.02 C ATOM 895 C GLY A 220 -5.082 -4.626 -4.412 0.48 0.02 C ATOM 896 O GLY A 220 -4.344 -3.643 -4.382 -0.48 0.02 O ATOM 0 H GLY A 220 -3.782 -6.633 -2.898 -0.36 0.02 H new ATOM 0 HA2 GLY A 220 -3.520 -5.884 -5.144 -0.10 0.02 H new ATOM 0 HA3 GLY A 220 -5.135 -6.450 -5.521 -0.10 0.02 H new ATOM 900 N GLY A 221 -6.389 -4.556 -4.196 -0.36 0.02 N ATOM 901 CA GLY A 221 -7.026 -3.285 -3.901 -0.10 0.02 C ATOM 902 C GLY A 221 -7.356 -3.064 -2.438 0.48 0.02 C ATOM 903 O GLY A 221 -8.239 -3.716 -1.877 -0.48 0.02 O ATOM 0 H GLY A 221 -7.021 -5.356 -4.220 -0.36 0.02 H new ATOM 0 HA2 GLY A 221 -6.372 -2.480 -4.237 -0.10 0.02 H new ATOM 0 HA3 GLY A 221 -7.946 -3.212 -4.482 -0.10 0.02 H new ATOM 907 N TYR A 222 -6.631 -2.190 -1.776 -0.36 0.02 N ATOM 908 CA TYR A 222 -6.884 -1.953 -0.374 1.00 0.02 C ATOM 909 C TYR A 222 -8.240 -1.286 -0.137 0.48 0.02 C ATOM 910 O TYR A 222 -8.923 -0.878 -1.075 -0.48 0.02 O ATOM 911 CB TYR A 222 -5.777 -1.087 0.206 -0.20 0.02 C ATOM 912 CG TYR A 222 -5.769 0.305 -0.361 1.00 0.02 C ATOM 913 CD1 TYR A 222 -5.181 0.564 -1.584 -0.14 0.02 C ATOM 914 CD2 TYR A 222 -6.350 1.351 0.327 -0.14 0.02 C ATOM 915 CE1 TYR A 222 -5.166 1.838 -2.115 -0.14 0.02 C ATOM 916 CE2 TYR A 222 -6.344 2.634 -0.193 -0.14 0.02 C ATOM 917 CZ TYR A 222 -5.749 2.871 -1.414 0.20 0.02 C ATOM 918 OH TYR A 222 -5.740 4.145 -1.935 -0.60 0.02 O ATOM 0 H TYR A 222 -5.873 -1.639 -2.179 -0.36 0.02 H new ATOM 0 HA TYR A 222 -6.903 -2.921 0.126 1.00 0.02 H new ATOM 0 HB2 TYR A 222 -5.894 -1.033 1.288 -0.20 0.02 H new ATOM 0 HB3 TYR A 222 -4.814 -1.559 0.012 -0.20 0.02 H new ATOM 0 HD1 TYR A 222 -4.725 -0.245 -2.135 -0.14 0.02 H new ATOM 0 HD2 TYR A 222 -6.816 1.166 1.284 -0.14 0.02 H new ATOM 0 HE1 TYR A 222 -4.701 2.024 -3.072 -0.14 0.02 H new ATOM 0 HE2 TYR A 222 -6.803 3.444 0.354 -0.14 0.02 H new ATOM 0 HH TYR A 222 -6.193 4.755 -1.316 -0.60 0.02 H new ATOM 928 N THR A 223 -8.599 -1.160 1.139 -0.36 0.02 N ATOM 929 CA THR A 223 -9.846 -0.520 1.547 1.00 0.02 C ATOM 930 C THR A 223 -9.616 0.220 2.850 0.48 0.02 C ATOM 931 O THR A 223 -8.893 -0.255 3.721 -0.48 0.02 O ATOM 932 CB THR A 223 -10.974 -1.547 1.698 0.18 0.02 C ATOM 933 OG1 THR A 223 -11.555 -1.826 0.439 -0.68 0.02 O ATOM 934 CG2 THR A 223 -12.095 -1.105 2.621 -0.30 0.02 C ATOM 0 H THR A 223 -8.034 -1.499 1.918 -0.36 0.02 H new ATOM 0 HA THR A 223 -10.153 0.186 0.775 1.00 0.02 H new ATOM 0 HB THR A 223 -10.499 -2.425 2.135 0.18 0.02 H new ATOM 0 HG1 THR A 223 -10.954 -2.401 -0.079 -0.68 0.02 H new ATOM 0 HG21 THR A 223 -12.853 -1.887 2.674 -0.30 0.02 H new ATOM 0 HG22 THR A 223 -11.694 -0.920 3.618 -0.30 0.02 H new ATOM 0 HG23 THR A 223 -12.544 -0.190 2.235 -0.30 0.02 H new ATOM 942 N CYS A 224 -10.184 1.407 2.963 -0.36 0.02 N ATOM 943 CA CYS A 224 -9.977 2.214 4.150 1.00 0.02 C ATOM 944 C CYS A 224 -11.258 2.497 4.912 0.48 0.02 C ATOM 945 O CYS A 224 -12.070 3.326 4.502 -0.48 0.02 O ATOM 946 CB CYS A 224 -9.314 3.524 3.752 0.20 0.02 C ATOM 947 SG CYS A 224 -7.914 3.295 2.617 -0.20 0.02 S ATOM 0 H CYS A 224 -10.785 1.829 2.256 -0.36 0.02 H new ATOM 0 HA CYS A 224 -9.336 1.643 4.822 1.00 0.02 H new ATOM 0 HB2 CYS A 224 -10.054 4.171 3.281 0.20 0.02 H new ATOM 0 HB3 CYS A 224 -8.967 4.037 4.649 0.20 0.02 H new ATOM 952 N TYR A 225 -11.400 1.846 6.059 -0.36 0.02 N ATOM 953 CA TYR A 225 -12.544 2.073 6.917 1.00 0.02 C ATOM 954 C TYR A 225 -12.072 2.836 8.162 0.48 0.02 C ATOM 955 O TYR A 225 -11.163 3.660 8.056 -0.48 0.02 O ATOM 956 CB TYR A 225 -13.277 0.761 7.262 -0.20 0.02 C ATOM 957 CG TYR A 225 -12.434 -0.337 7.879 1.00 0.02 C ATOM 958 CD1 TYR A 225 -11.400 -0.944 7.174 -0.14 0.02 C ATOM 959 CD2 TYR A 225 -12.705 -0.795 9.164 -0.14 0.02 C ATOM 960 CE1 TYR A 225 -10.664 -1.969 7.732 -0.14 0.02 C ATOM 961 CE2 TYR A 225 -11.968 -1.817 9.731 -0.14 0.02 C ATOM 962 CZ TYR A 225 -10.950 -2.403 9.010 0.20 0.02 C ATOM 963 OH TYR A 225 -10.215 -3.424 9.567 -0.60 0.02 O ATOM 0 H TYR A 225 -10.735 1.158 6.412 -0.36 0.02 H new ATOM 0 HA TYR A 225 -13.283 2.679 6.392 1.00 0.02 H new ATOM 0 HB2 TYR A 225 -14.091 0.994 7.949 -0.20 0.02 H new ATOM 0 HB3 TYR A 225 -13.731 0.373 6.350 -0.20 0.02 H new ATOM 0 HD1 TYR A 225 -11.170 -0.608 6.174 -0.14 0.02 H new ATOM 0 HD2 TYR A 225 -13.507 -0.343 9.729 -0.14 0.02 H new ATOM 0 HE1 TYR A 225 -9.866 -2.431 7.170 -0.14 0.02 H new ATOM 0 HE2 TYR A 225 -12.188 -2.155 10.733 -0.14 0.02 H new ATOM 0 HH TYR A 225 -9.285 -3.362 9.263 -0.60 0.02 H new ATOM 973 N CYS A 226 -12.655 2.586 9.331 -0.36 0.02 N ATOM 974 CA CYS A 226 -12.221 3.294 10.536 1.00 0.02 C ATOM 975 C CYS A 226 -12.624 2.565 11.809 0.48 0.02 C ATOM 976 O CYS A 226 -11.825 1.850 12.405 -0.48 0.02 O ATOM 977 CB CYS A 226 -12.787 4.694 10.571 0.20 0.02 C ATOM 978 SG CYS A 226 -11.533 6.007 10.373 -0.20 0.02 S ATOM 0 H CYS A 226 -13.411 1.916 9.471 -0.36 0.02 H new ATOM 0 HA CYS A 226 -11.133 3.336 10.494 1.00 0.02 H new ATOM 0 HB2 CYS A 226 -13.531 4.794 9.781 0.20 0.02 H new ATOM 0 HB3 CYS A 226 -13.306 4.841 11.518 0.20 0.02 H new ATOM 983 N ASP A 227 -13.879 2.758 12.214 -0.36 0.02 N ATOM 984 CA ASP A 227 -14.435 2.140 13.412 1.00 0.02 C ATOM 985 C ASP A 227 -13.363 1.644 14.378 0.48 0.02 C ATOM 986 O ASP A 227 -13.295 0.460 14.707 -0.48 0.02 O ATOM 987 CB ASP A 227 -15.390 1.024 13.008 -0.45 0.02 C ATOM 988 CG ASP A 227 -14.674 -0.181 12.429 0.49 0.02 C ATOM 989 OD1 ASP A 227 -13.529 -0.020 11.958 -0.62 0.02 O ATOM 990 OD2 ASP A 227 -15.258 -1.284 12.448 -0.62 0.02 O ATOM 0 H ASP A 227 -14.541 3.352 11.715 -0.36 0.02 H new ATOM 0 HA ASP A 227 -14.986 2.905 13.959 1.00 0.02 H new ATOM 0 HB2 ASP A 227 -15.968 0.714 13.878 -0.45 0.02 H new ATOM 0 HB3 ASP A 227 -16.099 1.407 12.274 -0.45 0.02 H new ATOM 995 N GLY A 228 -12.536 2.581 14.836 -0.36 0.02 N ATOM 996 CA GLY A 228 -11.478 2.261 15.773 -0.10 0.02 C ATOM 997 C GLY A 228 -11.531 3.149 17.000 0.48 0.02 C ATOM 998 O GLY A 228 -12.444 3.028 17.817 -0.48 0.02 O ATOM 0 H GLY A 228 -12.583 3.565 14.570 -0.36 0.02 H new ATOM 0 HA2 GLY A 228 -11.562 1.217 16.075 -0.10 0.02 H new ATOM 0 HA3 GLY A 228 -10.511 2.374 15.283 -0.10 0.02 H new ATOM 1002 N LYS A 229 -10.554 4.044 17.137 -0.36 0.02 N ATOM 1003 CA LYS A 229 -10.498 4.955 18.278 1.00 0.02 C ATOM 1004 C LYS A 229 -11.856 5.604 18.541 0.48 0.02 C ATOM 1005 O LYS A 229 -12.367 5.559 19.661 -0.48 0.02 O ATOM 1006 CB LYS A 229 -9.443 6.037 18.038 -0.20 0.02 C ATOM 1007 CG LYS A 229 -9.565 6.721 16.684 -0.20 0.02 C ATOM 1008 CD LYS A 229 -10.188 8.103 16.811 -0.20 0.02 C ATOM 1009 CE LYS A 229 -9.512 9.106 15.889 0.30 5.02 C ATOM 1010 NZ LYS A 229 -10.218 9.225 14.584 -0.81 0.02 N ATOM 0 H LYS A 229 -9.790 4.157 16.471 -0.36 0.02 H new ATOM 0 HA LYS A 229 -10.225 4.371 19.157 1.00 0.02 H new ATOM 0 HB2 LYS A 229 -9.521 6.789 18.823 -0.20 0.02 H new ATOM 0 HB3 LYS A 229 -8.452 5.591 18.122 -0.20 0.02 H new ATOM 0 HG2 LYS A 229 -8.579 6.806 16.228 -0.20 0.02 H new ATOM 0 HG3 LYS A 229 -10.172 6.107 16.019 -0.20 0.02 H new ATOM 0 HD2 LYS A 229 -11.250 8.048 16.574 -0.20 0.02 H new ATOM 0 HD3 LYS A 229 -10.109 8.445 17.843 -0.20 0.02 H new ATOM 0 HE2 LYS A 229 -9.480 10.081 16.375 0.30 5.02 H new ATOM 0 HE3 LYS A 229 -8.480 8.802 15.717 0.30 5.02 H new ATOM 0 HZ1 LYS A 229 -9.638 9.784 13.925 -0.81 0.02 H new ATOM 0 HZ2 LYS A 229 -10.376 8.277 14.187 -0.81 0.02 H new ATOM 0 HZ3 LYS A 229 -11.133 9.698 14.726 -0.81 0.02 H new ATOM 1024 N LYS A 230 -12.438 6.203 17.506 -0.36 0.02 N ATOM 1025 CA LYS A 230 -13.736 6.852 17.636 1.00 0.02 C ATOM 1026 C LYS A 230 -14.850 5.818 17.686 0.48 0.02 C ATOM 1027 O LYS A 230 -15.835 5.988 18.405 -0.48 0.02 O ATOM 1028 CB LYS A 230 -13.964 7.814 16.475 -0.20 0.02 C ATOM 1029 CG LYS A 230 -13.582 9.252 16.790 -0.20 0.02 C ATOM 1030 CD LYS A 230 -14.707 10.217 16.452 -0.20 0.02 C ATOM 1031 CE LYS A 230 -14.456 11.596 17.039 0.30 5.02 C ATOM 1032 NZ LYS A 230 -15.441 12.597 16.545 -0.81 0.02 N ATOM 0 H LYS A 230 -12.032 6.252 16.572 -0.36 0.02 H new ATOM 0 HA LYS A 230 -13.746 7.416 18.569 1.00 0.02 H new ATOM 0 HB2 LYS A 230 -13.388 7.474 15.614 -0.20 0.02 H new ATOM 0 HB3 LYS A 230 -15.015 7.781 16.188 -0.20 0.02 H new ATOM 0 HG2 LYS A 230 -13.332 9.339 17.847 -0.20 0.02 H new ATOM 0 HG3 LYS A 230 -12.688 9.523 16.228 -0.20 0.02 H new ATOM 0 HD2 LYS A 230 -14.808 10.295 15.369 -0.20 0.02 H new ATOM 0 HD3 LYS A 230 -15.650 9.825 16.833 -0.20 0.02 H new ATOM 0 HE2 LYS A 230 -14.507 11.542 18.126 0.30 5.02 H new ATOM 0 HE3 LYS A 230 -13.448 11.922 16.783 0.30 5.02 H new ATOM 0 HZ1 LYS A 230 -15.236 13.524 16.969 -0.81 0.02 H new ATOM 0 HZ2 LYS A 230 -15.375 12.667 15.509 -0.81 0.02 H new ATOM 0 HZ3 LYS A 230 -16.401 12.300 16.811 -0.81 0.02 H new ATOM 1046 N GLY A 231 -14.692 4.744 16.920 -0.36 0.02 N ATOM 1047 CA GLY A 231 -15.697 3.704 16.898 -0.10 0.02 C ATOM 1048 C GLY A 231 -16.911 4.094 16.083 0.48 0.02 C ATOM 1049 O GLY A 231 -17.957 4.429 16.639 -0.48 0.02 O ATOM 0 H GLY A 231 -13.887 4.578 16.316 -0.36 0.02 H new ATOM 0 HA2 GLY A 231 -15.264 2.792 16.487 -0.10 0.02 H new ATOM 0 HA3 GLY A 231 -16.005 3.478 17.919 -0.10 0.02 H new ATOM 1053 N PHE A 232 -16.780 4.042 14.761 -0.36 0.02 N ATOM 1054 CA PHE A 232 -17.881 4.381 13.878 1.00 0.02 C ATOM 1055 C PHE A 232 -17.953 3.452 12.657 0.48 0.02 C ATOM 1056 O PHE A 232 -18.050 2.235 12.813 -0.48 0.02 O ATOM 1057 CB PHE A 232 -17.822 5.842 13.465 -0.16 0.02 C ATOM 1058 CG PHE A 232 -16.474 6.410 13.135 0.03 0.02 C ATOM 1059 CD1 PHE A 232 -15.809 6.066 11.964 -0.16 0.02 C ATOM 1060 CD2 PHE A 232 -15.917 7.380 13.957 -0.16 0.02 C ATOM 1061 CE1 PHE A 232 -14.624 6.685 11.636 -0.15 0.02 C ATOM 1062 CE2 PHE A 232 -14.720 7.979 13.632 -0.15 0.02 C ATOM 1063 CZ PHE A 232 -14.077 7.636 12.468 -0.15 0.02 C ATOM 0 H PHE A 232 -15.922 3.768 14.282 -0.36 0.02 H new ATOM 0 HA PHE A 232 -18.802 4.230 14.441 1.00 0.02 H new ATOM 0 HB2 PHE A 232 -18.465 5.973 12.595 -0.16 0.02 H new ATOM 0 HB3 PHE A 232 -18.251 6.438 14.271 -0.16 0.02 H new ATOM 0 HD1 PHE A 232 -16.223 5.312 11.311 -0.16 0.02 H new ATOM 0 HD2 PHE A 232 -16.429 7.669 14.863 -0.16 0.02 H new ATOM 0 HE1 PHE A 232 -14.119 6.422 10.718 -0.15 0.02 H new ATOM 0 HE2 PHE A 232 -14.288 8.717 14.291 -0.15 0.02 H new ATOM 0 HZ PHE A 232 -13.144 8.112 12.206 -0.15 0.02 H new ATOM 1073 N LYS A 233 -17.957 4.018 11.446 -0.36 0.02 N ATOM 1074 CA LYS A 233 -18.078 3.220 10.233 1.00 0.02 C ATOM 1075 C LYS A 233 -17.274 3.795 9.066 0.48 0.02 C ATOM 1076 O LYS A 233 -16.604 4.820 9.193 -0.48 0.02 O ATOM 1077 CB LYS A 233 -19.543 3.158 9.846 -0.20 0.02 C ATOM 1078 CG LYS A 233 -20.232 1.863 10.246 -0.20 0.02 C ATOM 1079 CD LYS A 233 -20.065 0.788 9.182 -0.20 0.02 C ATOM 1080 CE LYS A 233 -19.242 -0.383 9.695 0.30 5.02 C ATOM 1081 NZ LYS A 233 -17.797 -0.233 9.368 -0.81 0.02 N ATOM 0 H LYS A 233 -17.878 5.022 11.285 -0.36 0.02 H new ATOM 0 HA LYS A 233 -17.677 2.228 10.442 1.00 0.02 H new ATOM 0 HB2 LYS A 233 -20.067 3.995 10.309 -0.20 0.02 H new ATOM 0 HB3 LYS A 233 -19.629 3.286 8.767 -0.20 0.02 H new ATOM 0 HG2 LYS A 233 -19.820 1.508 11.191 -0.20 0.02 H new ATOM 0 HG3 LYS A 233 -21.293 2.051 10.411 -0.20 0.02 H new ATOM 0 HD2 LYS A 233 -21.046 0.433 8.865 -0.20 0.02 H new ATOM 0 HD3 LYS A 233 -19.582 1.216 8.304 -0.20 0.02 H new ATOM 0 HE2 LYS A 233 -19.363 -0.466 10.775 0.30 5.02 H new ATOM 0 HE3 LYS A 233 -19.618 -1.309 9.260 0.30 5.02 H new ATOM 0 HZ1 LYS A 233 -17.510 -0.986 8.711 -0.81 0.02 H new ATOM 0 HZ2 LYS A 233 -17.636 0.694 8.924 -0.81 0.02 H new ATOM 0 HZ3 LYS A 233 -17.235 -0.301 10.240 -0.81 0.02 H new ATOM 1095 N LEU A 234 -17.371 3.118 7.921 -0.36 0.02 N ATOM 1096 CA LEU A 234 -16.683 3.536 6.701 1.00 0.02 C ATOM 1097 C LEU A 234 -17.681 4.077 5.679 0.48 0.02 C ATOM 1098 O LEU A 234 -18.570 3.354 5.229 -0.48 0.02 O ATOM 1099 CB LEU A 234 -15.914 2.355 6.096 -0.20 0.02 C ATOM 1100 CG LEU A 234 -15.613 2.459 4.593 -0.10 0.02 C ATOM 1101 CD1 LEU A 234 -14.762 3.683 4.299 -0.30 0.02 C ATOM 1102 CD2 LEU A 234 -14.923 1.199 4.089 -0.30 0.02 C ATOM 0 H LEU A 234 -17.926 2.269 7.814 -0.36 0.02 H new ATOM 0 HA LEU A 234 -15.980 4.328 6.959 1.00 0.02 H new ATOM 0 HB2 LEU A 234 -14.970 2.247 6.631 -0.20 0.02 H new ATOM 0 HB3 LEU A 234 -16.486 1.444 6.272 -0.20 0.02 H new ATOM 0 HG LEU A 234 -16.562 2.563 4.066 -0.10 0.02 H new ATOM 0 HD11 LEU A 234 -14.560 3.738 3.229 -0.30 0.02 H new ATOM 0 HD12 LEU A 234 -15.294 4.580 4.614 -0.30 0.02 H new ATOM 0 HD13 LEU A 234 -13.820 3.610 4.842 -0.30 0.02 H new ATOM 0 HD21 LEU A 234 -14.720 1.297 3.022 -0.30 0.02 H new ATOM 0 HD22 LEU A 234 -13.984 1.059 4.625 -0.30 0.02 H new ATOM 0 HD23 LEU A 234 -15.569 0.338 4.258 -0.30 0.02 H new ATOM 1114 N ALA A 235 -17.534 5.350 5.319 -0.36 0.02 N ATOM 1115 CA ALA A 235 -18.426 5.984 4.351 1.00 0.02 C ATOM 1116 C ALA A 235 -18.555 5.157 3.072 0.48 0.02 C ATOM 1117 O ALA A 235 -18.046 4.040 2.983 -0.48 0.02 O ATOM 1118 CB ALA A 235 -17.930 7.383 4.021 -0.30 0.02 C ATOM 0 H ALA A 235 -16.805 5.963 5.683 -0.36 0.02 H new ATOM 0 HA ALA A 235 -19.415 6.048 4.805 1.00 0.02 H new ATOM 0 HB1 ALA A 235 -18.602 7.846 3.299 -0.30 0.02 H new ATOM 0 HB2 ALA A 235 -17.904 7.984 4.930 -0.30 0.02 H new ATOM 0 HB3 ALA A 235 -16.928 7.323 3.597 -0.30 0.02 H new ATOM 1124 N GLN A 236 -19.241 5.720 2.084 -0.36 0.02 N ATOM 1125 CA GLN A 236 -19.443 5.041 0.808 1.00 0.02 C ATOM 1126 C GLN A 236 -18.327 5.363 -0.185 0.48 0.02 C ATOM 1127 O GLN A 236 -18.426 5.033 -1.367 -0.48 0.02 O ATOM 1128 CB GLN A 236 -20.797 5.428 0.212 -0.20 0.02 C ATOM 1129 CG GLN A 236 -21.336 4.412 -0.783 -0.20 0.02 C ATOM 1130 CD GLN A 236 -22.586 3.714 -0.285 0.48 0.02 C ATOM 1131 OE1 GLN A 236 -22.516 2.638 0.310 -0.48 0.02 O ATOM 1132 NE2 GLN A 236 -23.740 4.325 -0.525 -0.52 0.02 N ATOM 0 H GLN A 236 -19.667 6.645 2.141 -0.36 0.02 H new ATOM 0 HA GLN A 236 -19.424 3.968 0.999 1.00 0.02 H new ATOM 0 HB2 GLN A 236 -21.518 5.551 1.020 -0.20 0.02 H new ATOM 0 HB3 GLN A 236 -20.704 6.395 -0.283 -0.20 0.02 H new ATOM 0 HG2 GLN A 236 -21.556 4.913 -1.726 -0.20 0.02 H new ATOM 0 HG3 GLN A 236 -20.567 3.668 -0.989 -0.20 0.02 H new ATOM 0 HE21 GLN A 236 -23.752 5.216 -1.022 -0.52 0.02 H new ATOM 0 HE22 GLN A 236 -24.615 3.904 -0.213 -0.52 0.02 H new ATOM 1141 N ASP A 237 -17.269 6.010 0.294 -0.36 0.02 N ATOM 1142 CA ASP A 237 -16.143 6.374 -0.566 1.00 0.02 C ATOM 1143 C ASP A 237 -15.119 5.243 -0.645 0.48 0.02 C ATOM 1144 O ASP A 237 -14.389 5.125 -1.629 -0.48 0.02 O ATOM 1145 CB ASP A 237 -15.464 7.655 -0.065 -0.45 0.02 C ATOM 1146 CG ASP A 237 -16.435 8.614 0.600 0.49 0.02 C ATOM 1147 OD1 ASP A 237 -17.222 9.259 -0.124 -0.62 0.02 O ATOM 1148 OD2 ASP A 237 -16.408 8.718 1.845 -0.62 0.02 O ATOM 0 H ASP A 237 -17.166 6.293 1.268 -0.36 0.02 H new ATOM 0 HA ASP A 237 -16.540 6.552 -1.565 1.00 0.02 H new ATOM 0 HB2 ASP A 237 -14.678 7.391 0.643 -0.45 0.02 H new ATOM 0 HB3 ASP A 237 -14.982 8.157 -0.904 -0.45 0.02 H new ATOM 1153 N GLN A 238 -15.064 4.420 0.398 -0.36 0.02 N ATOM 1154 CA GLN A 238 -14.121 3.305 0.446 1.00 0.02 C ATOM 1155 C GLN A 238 -12.687 3.818 0.537 0.48 0.02 C ATOM 1156 O GLN A 238 -11.768 3.256 -0.059 -0.48 0.02 O ATOM 1157 CB GLN A 238 -14.288 2.403 -0.778 -0.20 0.02 C ATOM 1158 CG GLN A 238 -13.587 1.059 -0.647 -0.20 0.02 C ATOM 1159 CD GLN A 238 -13.575 0.279 -1.948 0.48 0.02 C ATOM 1160 OE1 GLN A 238 -14.117 -0.823 -2.029 -0.48 0.02 O ATOM 1161 NE2 GLN A 238 -12.953 0.848 -2.974 -0.52 0.02 N ATOM 0 H GLN A 238 -15.660 4.503 1.221 -0.36 0.02 H new ATOM 0 HA GLN A 238 -14.335 2.717 1.338 1.00 0.02 H new ATOM 0 HB2 GLN A 238 -15.351 2.233 -0.951 -0.20 0.02 H new ATOM 0 HB3 GLN A 238 -13.901 2.921 -1.656 -0.20 0.02 H new ATOM 0 HG2 GLN A 238 -12.562 1.219 -0.314 -0.20 0.02 H new ATOM 0 HG3 GLN A 238 -14.083 0.468 0.122 -0.20 0.02 H new ATOM 0 HE21 GLN A 238 -12.517 1.763 -2.862 -0.52 0.02 H new ATOM 0 HE22 GLN A 238 -12.911 0.370 -3.874 -0.52 0.02 H new ATOM 1170 N LYS A 239 -12.513 4.885 1.304 -0.36 0.02 N ATOM 1171 CA LYS A 239 -11.205 5.496 1.515 1.00 0.02 C ATOM 1172 C LYS A 239 -11.241 6.324 2.792 0.48 0.02 C ATOM 1173 O LYS A 239 -10.340 6.250 3.628 -0.48 0.02 O ATOM 1174 CB LYS A 239 -10.810 6.370 0.324 -0.20 0.02 C ATOM 1175 CG LYS A 239 -11.809 7.473 0.017 -0.20 0.02 C ATOM 1176 CD LYS A 239 -11.775 7.862 -1.453 -0.20 0.02 C ATOM 1177 CE LYS A 239 -11.853 9.370 -1.632 0.30 5.02 C ATOM 1178 NZ LYS A 239 -13.236 9.882 -1.431 -0.81 0.02 N ATOM 0 H LYS A 239 -13.273 5.353 1.798 -0.36 0.02 H new ATOM 0 HA LYS A 239 -10.457 4.709 1.611 1.00 0.02 H new ATOM 0 HB2 LYS A 239 -9.836 6.819 0.521 -0.20 0.02 H new ATOM 0 HB3 LYS A 239 -10.698 5.738 -0.557 -0.20 0.02 H new ATOM 0 HG2 LYS A 239 -12.812 7.141 0.284 -0.20 0.02 H new ATOM 0 HG3 LYS A 239 -11.589 8.346 0.631 -0.20 0.02 H new ATOM 0 HD2 LYS A 239 -10.858 7.487 -1.909 -0.20 0.02 H new ATOM 0 HD3 LYS A 239 -12.607 7.389 -1.975 -0.20 0.02 H new ATOM 0 HE2 LYS A 239 -11.180 9.855 -0.925 0.30 5.02 H new ATOM 0 HE3 LYS A 239 -11.509 9.635 -2.632 0.30 5.02 H new ATOM 0 HZ1 LYS A 239 -13.247 10.914 -1.562 -0.81 0.02 H new ATOM 0 HZ2 LYS A 239 -13.874 9.439 -2.122 -0.81 0.02 H new ATOM 0 HZ3 LYS A 239 -13.555 9.652 -0.468 -0.81 0.02 H new ATOM 1192 N SER A 240 -12.316 7.089 2.947 -0.36 0.02 N ATOM 1193 CA SER A 240 -12.516 7.907 4.132 1.00 0.02 C ATOM 1194 C SER A 240 -13.511 7.208 5.049 0.48 0.02 C ATOM 1195 O SER A 240 -14.186 6.271 4.631 -0.48 0.02 O ATOM 1196 CB SER A 240 -13.029 9.298 3.750 0.08 0.02 C ATOM 1197 OG SER A 240 -12.170 10.312 4.242 -0.68 0.02 O ATOM 0 H SER A 240 -13.066 7.158 2.259 -0.36 0.02 H new ATOM 0 HA SER A 240 -11.565 8.033 4.649 1.00 0.02 H new ATOM 0 HB2 SER A 240 -13.104 9.376 2.665 0.08 0.02 H new ATOM 0 HB3 SER A 240 -14.033 9.441 4.150 0.08 0.02 H new ATOM 0 HG SER A 240 -12.519 11.190 3.983 -0.68 0.02 H new ATOM 1203 N CYS A 241 -13.593 7.645 6.295 -0.36 0.02 N ATOM 1204 CA CYS A 241 -14.504 7.021 7.246 1.00 0.02 C ATOM 1205 C CYS A 241 -15.436 8.039 7.894 0.48 0.02 C ATOM 1206 O CYS A 241 -15.064 9.191 8.115 -0.48 0.02 O ATOM 1207 CB CYS A 241 -13.706 6.297 8.319 0.20 0.02 C ATOM 1208 SG CYS A 241 -12.360 7.283 9.036 -0.20 0.02 S ATOM 0 H CYS A 241 -13.047 8.421 6.671 -0.36 0.02 H new ATOM 0 HA CYS A 241 -15.122 6.310 6.698 1.00 0.02 H new ATOM 0 HB2 CYS A 241 -14.383 5.993 9.117 0.20 0.02 H new ATOM 0 HB3 CYS A 241 -13.287 5.386 7.892 0.20 0.02 H new ATOM 1213 N GLU A 242 -16.651 7.593 8.201 -0.36 0.02 N ATOM 1214 CA GLU A 242 -17.650 8.446 8.833 1.00 0.02 C ATOM 1215 C GLU A 242 -18.465 7.656 9.855 0.48 0.02 C ATOM 1216 O GLU A 242 -18.625 6.442 9.728 -0.48 0.02 O ATOM 1217 CB GLU A 242 -18.579 9.050 7.778 -0.20 0.02 C ATOM 1218 CG GLU A 242 -17.871 9.978 6.805 -0.45 0.02 C ATOM 1219 CD GLU A 242 -18.808 10.554 5.762 0.49 0.02 C ATOM 1220 OE1 GLU A 242 -19.732 9.832 5.331 -0.62 0.02 O ATOM 1221 OE2 GLU A 242 -18.619 11.727 5.376 -0.62 0.02 O ATOM 0 H GLU A 242 -16.967 6.640 8.021 -0.36 0.02 H new ATOM 0 HA GLU A 242 -17.131 9.253 9.350 1.00 0.02 H new ATOM 0 HB2 GLU A 242 -19.053 8.243 7.219 -0.20 0.02 H new ATOM 0 HB3 GLU A 242 -19.375 9.601 8.279 -0.20 0.02 H new ATOM 0 HG2 GLU A 242 -17.405 10.793 7.359 -0.45 0.02 H new ATOM 0 HG3 GLU A 242 -17.070 9.433 6.307 -0.45 0.02 H new ATOM 1228 N VAL A 243 -18.978 8.350 10.867 -0.36 0.02 N ATOM 1229 CA VAL A 243 -19.776 7.708 11.907 1.00 0.02 C ATOM 1230 C VAL A 243 -21.242 7.615 11.495 0.48 0.02 C ATOM 1231 O VAL A 243 -21.705 8.366 10.636 -0.48 0.02 O ATOM 1232 CB VAL A 243 -19.664 8.464 13.247 -0.10 0.02 C ATOM 1233 CG1 VAL A 243 -20.055 9.925 13.075 -0.30 0.02 C ATOM 1234 CG2 VAL A 243 -20.516 7.796 14.319 -0.30 0.02 C ATOM 0 H VAL A 243 -18.856 9.355 10.989 -0.36 0.02 H new ATOM 0 HA VAL A 243 -19.380 6.701 12.039 1.00 0.02 H new ATOM 0 HB VAL A 243 -18.624 8.427 13.572 -0.10 0.02 H new ATOM 0 HG11 VAL A 243 -19.969 10.440 14.032 -0.30 0.02 H new ATOM 0 HG12 VAL A 243 -19.392 10.396 12.349 -0.30 0.02 H new ATOM 0 HG13 VAL A 243 -21.084 9.987 12.721 -0.30 0.02 H new ATOM 0 HG21 VAL A 243 -20.421 8.347 15.255 -0.30 0.02 H new ATOM 0 HG22 VAL A 243 -21.560 7.792 14.004 -0.30 0.02 H new ATOM 0 HG23 VAL A 243 -20.178 6.770 14.466 -0.30 0.02 H new