USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 587 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 209 HIS :FLIP no HD1:sc= 0.274 F(o=-0.001,f=0.6) USER MOD Set 1.2: A 211 SER OG : rot 33:sc= 0.33 USER MOD Single : A 176 SER OG : rot 180:sc= 0 USER MOD Single : A 179 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 182 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.91) USER MOD Single : A 184 THR OG1 : rot -19:sc= 0.339 USER MOD Single : A 188 CYS SG : rot 180:sc= -0.0567 USER MOD Single : A 191 MET CE :methyl -167:sc=-0.000226 (180deg=-0.171) USER MOD Single : A 193 THR OG1 : rot 180:sc= 0 USER MOD Single : A 194 TYR OH : rot 180:sc= 0 USER MOD Single : A 195 SER OG : rot 31:sc= 0.0287 USER MOD Single : A 196 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 197 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 198 SER OG : rot 180:sc= 0 USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 203 SER OG : rot 180:sc= 0 USER MOD Single : A 204 ASN : amide:sc= 0.243 K(o=0.24,f=-5.2!) USER MOD Single : A 205 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00962) USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 214 MET CE :methyl 171:sc= 0 (180deg=-0.0691) USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 CYS SG : rot 104:sc= 0.227 USER MOD Single : A 224 SER OG : rot 180:sc= 0.136 USER MOD Single : A 228 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 231 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 234 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 235 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 236 HIS : no HD1:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 237 THR OG1 : rot 39:sc= 0.03 USER MOD Single : A 241 SER OG : rot 98:sc= 1.24 USER MOD Single : A 243 HIS : no HD1:sc= -0.0939 X(o=-0.094,f=0) USER MOD Single : A 244 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 36.767 -29.279 -42.494 1.00 44.44 N ATOM 2 CA ARG A 175 37.340 -28.715 -43.731 1.00 25.31 C ATOM 3 C ARG A 175 36.252 -28.397 -44.771 1.00 23.33 C ATOM 4 O ARG A 175 36.567 -28.123 -45.920 1.00 72.25 O ATOM 5 CB ARG A 175 38.481 -29.596 -44.299 1.00 63.20 C ATOM 6 CG ARG A 175 39.750 -29.564 -43.424 1.00 35.43 C ATOM 7 CD ARG A 175 41.047 -29.906 -44.183 1.00 51.31 C ATOM 8 NE ARG A 175 41.159 -31.327 -44.575 1.00 63.41 N ATOM 9 CZ ARG A 175 42.262 -31.905 -45.084 1.00 22.04 C ATOM 10 NH1 ARG A 175 43.363 -31.189 -45.309 1.00 63.22 N1+ ATOM 11 NH2 ARG A 175 42.263 -33.208 -45.363 1.00 52.51 N ATOM 0 HA ARG A 175 37.800 -27.762 -43.470 1.00 25.31 H new ATOM 0 HB2 ARG A 175 38.131 -30.625 -44.386 1.00 63.20 H new ATOM 0 HB3 ARG A 175 38.730 -29.257 -45.305 1.00 63.20 H new ATOM 0 HG2 ARG A 175 39.850 -28.572 -42.984 1.00 35.43 H new ATOM 0 HG3 ARG A 175 39.628 -30.267 -42.600 1.00 35.43 H new ATOM 0 HD2 ARG A 175 41.105 -29.287 -45.079 1.00 51.31 H new ATOM 0 HD3 ARG A 175 41.901 -29.644 -43.558 1.00 51.31 H new ATOM 0 HE ARG A 175 40.335 -31.915 -44.450 1.00 63.41 H new ATOM 0 HH11 ARG A 175 43.375 -30.192 -45.095 1.00 63.22 H new ATOM 0 HH12 ARG A 175 44.193 -31.638 -45.695 1.00 63.22 H new ATOM 0 HH21 ARG A 175 41.427 -33.767 -45.191 1.00 52.51 H new ATOM 0 HH22 ARG A 175 43.099 -33.646 -45.749 1.00 52.51 H new ATOM 25 N SER A 176 34.978 -28.431 -44.387 1.00 54.30 N ATOM 26 CA SER A 176 33.850 -27.897 -45.138 1.00 40.15 C ATOM 27 C SER A 176 32.718 -27.647 -44.128 1.00 12.11 C ATOM 28 O SER A 176 32.891 -27.937 -42.937 1.00 40.04 O ATOM 29 CB SER A 176 33.467 -28.855 -46.279 1.00 24.33 C ATOM 30 OG SER A 176 33.427 -30.207 -45.857 1.00 71.11 O ATOM 0 H SER A 176 34.693 -28.852 -43.502 1.00 54.30 H new ATOM 0 HA SER A 176 34.090 -26.954 -45.629 1.00 40.15 H new ATOM 0 HB2 SER A 176 32.492 -28.572 -46.676 1.00 24.33 H new ATOM 0 HB3 SER A 176 34.185 -28.752 -47.093 1.00 24.33 H new ATOM 0 HG SER A 176 33.178 -30.778 -46.613 1.00 71.11 H new ATOM 36 N LEU A 177 31.585 -27.103 -44.585 1.00 42.40 N ATOM 37 CA LEU A 177 30.382 -26.843 -43.792 1.00 14.14 C ATOM 38 C LEU A 177 29.148 -27.126 -44.651 1.00 25.25 C ATOM 39 O LEU A 177 29.258 -27.185 -45.881 1.00 72.32 O ATOM 40 CB LEU A 177 30.374 -25.376 -43.308 1.00 62.05 C ATOM 41 CG LEU A 177 30.842 -25.194 -41.855 1.00 74.24 C ATOM 42 CD1 LEU A 177 30.945 -23.701 -41.525 1.00 32.31 C ATOM 43 CD2 LEU A 177 29.863 -25.850 -40.877 1.00 21.13 C ATOM 0 H LEU A 177 31.478 -26.820 -45.559 1.00 42.40 H new ATOM 0 HA LEU A 177 30.371 -27.493 -42.917 1.00 14.14 H new ATOM 0 HB2 LEU A 177 31.015 -24.785 -43.962 1.00 62.05 H new ATOM 0 HB3 LEU A 177 29.364 -24.977 -43.406 1.00 62.05 H new ATOM 0 HG LEU A 177 31.817 -25.670 -41.754 1.00 74.24 H new ATOM 0 HD11 LEU A 177 31.277 -23.578 -40.494 1.00 32.31 H new ATOM 0 HD12 LEU A 177 31.663 -23.229 -42.196 1.00 32.31 H new ATOM 0 HD13 LEU A 177 29.969 -23.233 -41.650 1.00 32.31 H new ATOM 0 HD21 LEU A 177 30.218 -25.707 -39.856 1.00 21.13 H new ATOM 0 HD22 LEU A 177 28.879 -25.394 -40.987 1.00 21.13 H new ATOM 0 HD23 LEU A 177 29.795 -26.917 -41.091 1.00 21.13 H new ATOM 55 N ARG A 178 27.979 -27.293 -44.021 1.00 24.30 N ATOM 56 CA ARG A 178 26.663 -27.415 -44.660 1.00 3.45 C ATOM 57 C ARG A 178 25.638 -26.612 -43.846 1.00 25.42 C ATOM 58 O ARG A 178 25.940 -26.176 -42.730 1.00 34.30 O ATOM 59 CB ARG A 178 26.226 -28.899 -44.753 1.00 73.44 C ATOM 60 CG ARG A 178 26.742 -29.666 -45.984 1.00 23.23 C ATOM 61 CD ARG A 178 28.180 -30.198 -45.867 1.00 61.32 C ATOM 62 NE ARG A 178 29.014 -29.724 -46.987 1.00 43.12 N ATOM 63 CZ ARG A 178 29.441 -30.405 -48.057 1.00 4.41 C ATOM 64 NH1 ARG A 178 29.212 -31.713 -48.173 1.00 33.23 N1+ ATOM 65 NH2 ARG A 178 30.101 -29.762 -49.019 1.00 63.23 N ATOM 0 H ARG A 178 27.922 -27.349 -43.004 1.00 24.30 H new ATOM 0 HA ARG A 178 26.722 -27.021 -45.675 1.00 3.45 H new ATOM 0 HB2 ARG A 178 26.565 -29.416 -43.856 1.00 73.44 H new ATOM 0 HB3 ARG A 178 25.137 -28.940 -44.752 1.00 73.44 H new ATOM 0 HG2 ARG A 178 26.075 -30.507 -46.175 1.00 23.23 H new ATOM 0 HG3 ARG A 178 26.684 -29.010 -46.852 1.00 23.23 H new ATOM 0 HD2 ARG A 178 28.616 -29.873 -44.922 1.00 61.32 H new ATOM 0 HD3 ARG A 178 28.168 -31.288 -45.854 1.00 61.32 H new ATOM 0 HE ARG A 178 29.304 -28.747 -46.940 1.00 43.12 H new ATOM 0 HH11 ARG A 178 28.705 -32.209 -47.440 1.00 33.23 H new ATOM 0 HH12 ARG A 178 29.544 -32.218 -48.995 1.00 33.23 H new ATOM 0 HH21 ARG A 178 30.276 -28.761 -48.936 1.00 63.23 H new ATOM 0 HH22 ARG A 178 30.431 -30.271 -49.839 1.00 63.23 H new ATOM 79 N GLN A 179 24.432 -26.436 -44.390 1.00 24.00 N ATOM 80 CA GLN A 179 23.223 -25.979 -43.706 1.00 3.32 C ATOM 81 C GLN A 179 22.028 -26.366 -44.594 1.00 35.51 C ATOM 82 O GLN A 179 22.231 -26.771 -45.744 1.00 2.32 O ATOM 83 CB GLN A 179 23.301 -24.453 -43.493 1.00 52.52 C ATOM 84 CG GLN A 179 22.324 -23.928 -42.426 1.00 55.30 C ATOM 85 CD GLN A 179 22.834 -22.656 -41.758 1.00 71.53 C ATOM 86 OE1 GLN A 179 23.952 -22.640 -41.238 1.00 14.25 O ATOM 87 NE2 GLN A 179 22.047 -21.598 -41.740 1.00 3.14 N ATOM 0 H GLN A 179 24.265 -26.620 -45.379 1.00 24.00 H new ATOM 0 HA GLN A 179 23.114 -26.439 -42.724 1.00 3.32 H new ATOM 0 HB2 GLN A 179 24.318 -24.187 -43.205 1.00 52.52 H new ATOM 0 HB3 GLN A 179 23.096 -23.952 -44.439 1.00 52.52 H new ATOM 0 HG2 GLN A 179 21.356 -23.732 -42.887 1.00 55.30 H new ATOM 0 HG3 GLN A 179 22.167 -24.697 -41.669 1.00 55.30 H new ATOM 0 HE21 GLN A 179 21.127 -21.639 -42.178 1.00 3.14 H new ATOM 0 HE22 GLN A 179 22.358 -20.738 -41.288 1.00 3.14 H new ATOM 96 N ARG A 180 20.794 -26.194 -44.117 1.00 65.05 N ATOM 97 CA ARG A 180 19.600 -26.081 -44.956 1.00 64.25 C ATOM 98 C ARG A 180 18.921 -24.754 -44.656 1.00 43.03 C ATOM 99 O ARG A 180 19.006 -24.265 -43.530 1.00 61.12 O ATOM 100 CB ARG A 180 18.611 -27.231 -44.706 1.00 54.40 C ATOM 101 CG ARG A 180 18.878 -28.457 -45.594 1.00 40.31 C ATOM 102 CD ARG A 180 17.689 -29.431 -45.558 1.00 25.33 C ATOM 103 NE ARG A 180 16.466 -28.838 -46.148 1.00 63.12 N ATOM 104 CZ ARG A 180 15.199 -29.025 -45.759 1.00 4.44 C ATOM 105 NH1 ARG A 180 14.911 -29.862 -44.774 1.00 33.41 N1+ ATOM 106 NH2 ARG A 180 14.229 -28.351 -46.366 1.00 74.54 N ATOM 0 H ARG A 180 20.593 -26.128 -43.119 1.00 65.05 H new ATOM 0 HA ARG A 180 19.907 -26.134 -46.001 1.00 64.25 H new ATOM 0 HB2 ARG A 180 18.666 -27.529 -43.659 1.00 54.40 H new ATOM 0 HB3 ARG A 180 17.596 -26.875 -44.883 1.00 54.40 H new ATOM 0 HG2 ARG A 180 19.059 -28.135 -46.620 1.00 40.31 H new ATOM 0 HG3 ARG A 180 19.781 -28.966 -45.256 1.00 40.31 H new ATOM 0 HD2 ARG A 180 17.949 -30.340 -46.100 1.00 25.33 H new ATOM 0 HD3 ARG A 180 17.490 -29.721 -44.526 1.00 25.33 H new ATOM 0 HE ARG A 180 16.606 -28.215 -46.943 1.00 63.12 H new ATOM 0 HH11 ARG A 180 15.658 -30.372 -44.303 1.00 33.41 H new ATOM 0 HH12 ARG A 180 13.942 -29.997 -44.486 1.00 33.41 H new ATOM 0 HH21 ARG A 180 14.454 -27.700 -47.119 1.00 74.54 H new ATOM 0 HH22 ARG A 180 13.259 -28.484 -46.080 1.00 74.54 H new ATOM 120 N LEU A 181 18.193 -24.237 -45.642 1.00 42.44 N ATOM 121 CA LEU A 181 17.435 -22.997 -45.573 1.00 73.23 C ATOM 122 C LEU A 181 16.020 -23.221 -46.105 1.00 71.21 C ATOM 123 O LEU A 181 15.748 -24.270 -46.699 1.00 74.14 O ATOM 124 CB LEU A 181 18.169 -21.854 -46.298 1.00 33.22 C ATOM 125 CG LEU A 181 18.731 -22.026 -47.729 1.00 33.35 C ATOM 126 CD1 LEU A 181 20.114 -22.694 -47.735 1.00 5.21 C ATOM 127 CD2 LEU A 181 17.807 -22.774 -48.700 1.00 70.12 C ATOM 0 H LEU A 181 18.114 -24.694 -46.551 1.00 42.44 H new ATOM 0 HA LEU A 181 17.349 -22.689 -44.531 1.00 73.23 H new ATOM 0 HB2 LEU A 181 17.483 -21.007 -46.328 1.00 33.22 H new ATOM 0 HB3 LEU A 181 19.006 -21.564 -45.663 1.00 33.22 H new ATOM 0 HG LEU A 181 18.813 -21.002 -48.093 1.00 33.35 H new ATOM 0 HD11 LEU A 181 20.466 -22.793 -48.762 1.00 5.21 H new ATOM 0 HD12 LEU A 181 20.816 -22.082 -47.168 1.00 5.21 H new ATOM 0 HD13 LEU A 181 20.043 -23.682 -47.279 1.00 5.21 H new ATOM 0 HD21 LEU A 181 18.286 -22.845 -49.676 1.00 70.12 H new ATOM 0 HD22 LEU A 181 17.612 -23.776 -48.318 1.00 70.12 H new ATOM 0 HD23 LEU A 181 16.866 -22.233 -48.796 1.00 70.12 H new ATOM 139 N GLN A 182 15.135 -22.244 -45.917 1.00 62.31 N ATOM 140 CA GLN A 182 13.703 -22.324 -46.182 1.00 40.10 C ATOM 141 C GLN A 182 13.317 -21.265 -47.217 1.00 63.11 C ATOM 142 O GLN A 182 12.300 -20.588 -47.103 1.00 12.30 O ATOM 143 CB GLN A 182 12.948 -22.151 -44.850 1.00 72.53 C ATOM 144 CG GLN A 182 11.558 -22.792 -44.898 1.00 23.40 C ATOM 145 CD GLN A 182 11.587 -24.325 -44.887 1.00 41.05 C ATOM 146 OE1 GLN A 182 12.631 -24.965 -44.754 1.00 54.13 O ATOM 147 NE2 GLN A 182 10.434 -24.950 -44.998 1.00 22.23 N ATOM 0 H GLN A 182 15.413 -21.331 -45.558 1.00 62.31 H new ATOM 0 HA GLN A 182 13.433 -23.294 -46.599 1.00 40.10 H new ATOM 0 HB2 GLN A 182 13.527 -22.599 -44.043 1.00 72.53 H new ATOM 0 HB3 GLN A 182 12.851 -21.090 -44.622 1.00 72.53 H new ATOM 0 HG2 GLN A 182 10.976 -22.442 -44.045 1.00 23.40 H new ATOM 0 HG3 GLN A 182 11.042 -22.453 -45.796 1.00 23.40 H new ATOM 0 HE21 GLN A 182 9.572 -24.415 -45.108 1.00 22.23 H new ATOM 0 HE22 GLN A 182 10.402 -25.969 -44.974 1.00 22.23 H new ATOM 156 N ASP A 183 14.133 -21.119 -48.258 1.00 20.03 N ATOM 157 CA ASP A 183 14.191 -19.983 -49.162 1.00 43.12 C ATOM 158 C ASP A 183 13.910 -20.468 -50.586 1.00 32.23 C ATOM 159 O ASP A 183 14.496 -20.065 -51.583 1.00 34.24 O ATOM 160 CB ASP A 183 15.560 -19.325 -49.007 1.00 20.31 C ATOM 161 CG ASP A 183 15.639 -18.423 -47.779 1.00 12.13 C ATOM 162 OD1 ASP A 183 14.712 -17.605 -47.568 1.00 23.45 O1- ATOM 163 OD2 ASP A 183 16.595 -18.589 -46.982 1.00 22.45 O ATOM 0 H ASP A 183 14.812 -21.839 -48.505 1.00 20.03 H new ATOM 0 HA ASP A 183 13.435 -19.233 -48.930 1.00 43.12 H new ATOM 0 HB2 ASP A 183 16.325 -20.098 -48.936 1.00 20.31 H new ATOM 0 HB3 ASP A 183 15.781 -18.739 -49.899 1.00 20.31 H new ATOM 168 N THR A 184 13.040 -21.461 -50.632 1.00 51.30 N ATOM 169 CA THR A 184 12.635 -22.260 -51.770 1.00 22.11 C ATOM 170 C THR A 184 11.119 -22.503 -51.723 1.00 53.13 C ATOM 171 O THR A 184 10.577 -23.115 -52.640 1.00 71.31 O ATOM 172 CB THR A 184 13.476 -23.555 -51.777 1.00 3.31 C ATOM 173 OG1 THR A 184 13.167 -24.370 -52.887 1.00 25.41 O ATOM 174 CG2 THR A 184 13.324 -24.402 -50.499 1.00 51.10 C ATOM 0 H THR A 184 12.552 -21.756 -49.786 1.00 51.30 H new ATOM 0 HA THR A 184 12.824 -21.744 -52.711 1.00 22.11 H new ATOM 0 HB THR A 184 14.508 -23.210 -51.834 1.00 3.31 H new ATOM 0 HG1 THR A 184 12.296 -24.109 -53.252 1.00 25.41 H new ATOM 0 HG21 THR A 184 13.944 -25.295 -50.578 1.00 51.10 H new ATOM 0 HG22 THR A 184 13.639 -23.817 -49.635 1.00 51.10 H new ATOM 0 HG23 THR A 184 12.281 -24.695 -50.378 1.00 51.10 H new ATOM 182 N VAL A 185 10.430 -22.024 -50.682 1.00 43.51 N ATOM 183 CA VAL A 185 8.990 -22.188 -50.492 1.00 73.04 C ATOM 184 C VAL A 185 8.263 -20.850 -50.722 1.00 11.42 C ATOM 185 O VAL A 185 7.309 -20.515 -50.018 1.00 54.52 O ATOM 186 CB VAL A 185 8.716 -22.840 -49.120 1.00 23.54 C ATOM 187 CG1 VAL A 185 9.262 -24.277 -49.065 1.00 72.43 C ATOM 188 CG2 VAL A 185 9.290 -22.074 -47.924 1.00 23.12 C ATOM 0 H VAL A 185 10.873 -21.497 -49.929 1.00 43.51 H new ATOM 0 HA VAL A 185 8.580 -22.870 -51.237 1.00 73.04 H new ATOM 0 HB VAL A 185 7.630 -22.826 -49.033 1.00 23.54 H new ATOM 0 HG11 VAL A 185 9.053 -24.708 -48.086 1.00 72.43 H new ATOM 0 HG12 VAL A 185 8.782 -24.879 -49.837 1.00 72.43 H new ATOM 0 HG13 VAL A 185 10.339 -24.264 -49.233 1.00 72.43 H new ATOM 0 HG21 VAL A 185 9.049 -22.605 -47.003 1.00 23.12 H new ATOM 0 HG22 VAL A 185 10.372 -21.997 -48.027 1.00 23.12 H new ATOM 0 HG23 VAL A 185 8.857 -21.074 -47.891 1.00 23.12 H new ATOM 198 N GLY A 186 8.732 -20.058 -51.690 1.00 64.11 N ATOM 199 CA GLY A 186 8.307 -18.684 -51.926 1.00 14.24 C ATOM 200 C GLY A 186 6.933 -18.586 -52.591 1.00 62.45 C ATOM 201 O GLY A 186 6.836 -18.198 -53.758 1.00 21.23 O ATOM 0 H GLY A 186 9.443 -20.371 -52.352 1.00 64.11 H new ATOM 0 HA2 GLY A 186 8.283 -18.149 -50.976 1.00 14.24 H new ATOM 0 HA3 GLY A 186 9.045 -18.185 -52.555 1.00 14.24 H new ATOM 205 N LEU A 187 5.868 -18.906 -51.855 1.00 72.41 N ATOM 206 CA LEU A 187 4.485 -18.683 -52.264 1.00 12.03 C ATOM 207 C LEU A 187 3.893 -17.565 -51.412 1.00 61.21 C ATOM 208 O LEU A 187 4.055 -17.558 -50.190 1.00 12.43 O ATOM 209 CB LEU A 187 3.651 -19.965 -52.158 1.00 63.55 C ATOM 210 CG LEU A 187 4.061 -21.110 -53.101 1.00 32.34 C ATOM 211 CD1 LEU A 187 3.079 -22.274 -52.914 1.00 15.23 C ATOM 212 CD2 LEU A 187 4.063 -20.698 -54.580 1.00 11.21 C ATOM 0 H LEU A 187 5.948 -19.338 -50.935 1.00 72.41 H new ATOM 0 HA LEU A 187 4.467 -18.387 -53.313 1.00 12.03 H new ATOM 0 HB2 LEU A 187 3.705 -20.328 -51.132 1.00 63.55 H new ATOM 0 HB3 LEU A 187 2.608 -19.715 -52.353 1.00 63.55 H new ATOM 0 HG LEU A 187 5.081 -21.396 -52.843 1.00 32.34 H new ATOM 0 HD11 LEU A 187 3.356 -23.094 -53.576 1.00 15.23 H new ATOM 0 HD12 LEU A 187 3.113 -22.616 -51.879 1.00 15.23 H new ATOM 0 HD13 LEU A 187 2.069 -21.940 -53.153 1.00 15.23 H new ATOM 0 HD21 LEU A 187 4.360 -21.548 -55.194 1.00 11.21 H new ATOM 0 HD22 LEU A 187 3.063 -20.374 -54.869 1.00 11.21 H new ATOM 0 HD23 LEU A 187 4.767 -19.879 -54.729 1.00 11.21 H new ATOM 224 N CYS A 188 3.215 -16.614 -52.051 1.00 5.10 N ATOM 225 CA CYS A 188 2.585 -15.451 -51.442 1.00 41.23 C ATOM 226 C CYS A 188 1.246 -15.249 -52.147 1.00 61.24 C ATOM 227 O CYS A 188 1.231 -15.040 -53.364 1.00 13.40 O ATOM 228 CB CYS A 188 3.466 -14.207 -51.632 1.00 24.44 C ATOM 229 SG CYS A 188 5.125 -14.411 -50.927 1.00 53.45 S ATOM 0 H CYS A 188 3.085 -16.638 -53.062 1.00 5.10 H new ATOM 0 HA CYS A 188 2.447 -15.604 -50.372 1.00 41.23 H new ATOM 0 HB2 CYS A 188 3.552 -13.987 -52.696 1.00 24.44 H new ATOM 0 HB3 CYS A 188 2.981 -13.349 -51.167 1.00 24.44 H new ATOM 0 HG CYS A 188 5.816 -13.328 -51.123 1.00 53.45 H new ATOM 235 N PHE A 189 0.130 -15.342 -51.427 1.00 52.22 N ATOM 236 CA PHE A 189 -1.210 -15.324 -52.014 1.00 21.13 C ATOM 237 C PHE A 189 -2.214 -14.705 -51.024 1.00 22.14 C ATOM 238 O PHE A 189 -1.932 -14.668 -49.820 1.00 63.21 O ATOM 239 CB PHE A 189 -1.593 -16.762 -52.410 1.00 11.22 C ATOM 240 CG PHE A 189 -1.270 -17.841 -51.387 1.00 52.44 C ATOM 241 CD1 PHE A 189 -2.180 -18.137 -50.356 1.00 72.12 C ATOM 242 CD2 PHE A 189 -0.065 -18.564 -51.481 1.00 41.44 C ATOM 243 CE1 PHE A 189 -1.889 -19.155 -49.428 1.00 71.13 C ATOM 244 CE2 PHE A 189 0.236 -19.564 -50.540 1.00 33.44 C ATOM 245 CZ PHE A 189 -0.675 -19.858 -49.512 1.00 32.31 C ATOM 0 H PHE A 189 0.129 -15.433 -50.411 1.00 52.22 H new ATOM 0 HA PHE A 189 -1.227 -14.704 -52.910 1.00 21.13 H new ATOM 0 HB2 PHE A 189 -2.664 -16.790 -52.613 1.00 11.22 H new ATOM 0 HB3 PHE A 189 -1.085 -17.009 -53.343 1.00 11.22 H new ATOM 0 HD1 PHE A 189 -3.103 -17.582 -50.276 1.00 72.12 H new ATOM 0 HD2 PHE A 189 0.630 -18.349 -52.279 1.00 41.44 H new ATOM 0 HE1 PHE A 189 -2.599 -19.396 -48.651 1.00 71.13 H new ATOM 0 HE2 PHE A 189 1.168 -20.106 -50.607 1.00 33.44 H new ATOM 0 HZ PHE A 189 -0.443 -20.624 -48.787 1.00 32.31 H new ATOM 255 N PRO A 190 -3.365 -14.191 -51.497 1.00 74.42 N ATOM 256 CA PRO A 190 -4.345 -13.523 -50.643 1.00 62.01 C ATOM 257 C PRO A 190 -5.124 -14.527 -49.784 1.00 31.33 C ATOM 258 O PRO A 190 -5.092 -15.733 -50.044 1.00 55.50 O ATOM 259 CB PRO A 190 -5.257 -12.764 -51.609 1.00 44.41 C ATOM 260 CG PRO A 190 -5.208 -13.598 -52.880 1.00 32.21 C ATOM 261 CD PRO A 190 -3.770 -14.105 -52.897 1.00 14.15 C ATOM 0 HA PRO A 190 -3.872 -12.851 -49.927 1.00 62.01 H new ATOM 0 HB2 PRO A 190 -6.273 -12.684 -51.222 1.00 44.41 H new ATOM 0 HB3 PRO A 190 -4.901 -11.749 -51.782 1.00 44.41 H new ATOM 0 HG2 PRO A 190 -5.926 -14.418 -52.853 1.00 32.21 H new ATOM 0 HG3 PRO A 190 -5.437 -13.002 -53.764 1.00 32.21 H new ATOM 0 HD2 PRO A 190 -3.704 -15.078 -53.384 1.00 14.15 H new ATOM 0 HD3 PRO A 190 -3.122 -13.426 -53.451 1.00 14.15 H new ATOM 269 N MET A 191 -5.860 -14.035 -48.779 1.00 5.12 N ATOM 270 CA MET A 191 -6.516 -14.869 -47.763 1.00 32.15 C ATOM 271 C MET A 191 -8.039 -14.781 -47.741 1.00 53.20 C ATOM 272 O MET A 191 -8.645 -15.392 -46.867 1.00 13.41 O ATOM 273 CB MET A 191 -5.938 -14.604 -46.363 1.00 33.21 C ATOM 274 CG MET A 191 -6.235 -13.194 -45.836 1.00 23.31 C ATOM 275 SD MET A 191 -5.758 -12.884 -44.115 1.00 33.12 S ATOM 276 CE MET A 191 -6.940 -13.949 -43.234 1.00 34.42 C ATOM 0 H MET A 191 -6.019 -13.036 -48.647 1.00 5.12 H new ATOM 0 HA MET A 191 -6.290 -15.893 -48.062 1.00 32.15 H new ATOM 0 HB2 MET A 191 -6.344 -15.337 -45.666 1.00 33.21 H new ATOM 0 HB3 MET A 191 -4.859 -14.754 -46.390 1.00 33.21 H new ATOM 0 HG2 MET A 191 -5.722 -12.472 -46.472 1.00 23.31 H new ATOM 0 HG3 MET A 191 -7.304 -13.005 -45.938 1.00 23.31 H new ATOM 0 HE1 MET A 191 -6.934 -13.700 -42.173 1.00 34.42 H new ATOM 0 HE2 MET A 191 -7.941 -13.793 -43.637 1.00 34.42 H new ATOM 0 HE3 MET A 191 -6.655 -14.993 -43.363 1.00 34.42 H new ATOM 286 N ARG A 192 -8.657 -14.062 -48.683 1.00 54.31 N ATOM 287 CA ARG A 192 -10.062 -13.642 -48.662 1.00 71.24 C ATOM 288 C ARG A 192 -10.227 -12.500 -47.657 1.00 74.33 C ATOM 289 O ARG A 192 -9.621 -12.487 -46.586 1.00 44.54 O ATOM 290 CB ARG A 192 -11.019 -14.815 -48.361 1.00 53.03 C ATOM 291 CG ARG A 192 -12.440 -14.594 -48.907 1.00 10.34 C ATOM 292 CD ARG A 192 -12.556 -14.873 -50.415 1.00 64.52 C ATOM 293 NE ARG A 192 -12.482 -16.319 -50.704 1.00 53.10 N ATOM 294 CZ ARG A 192 -13.502 -17.143 -50.977 1.00 23.44 C ATOM 295 NH1 ARG A 192 -14.746 -16.685 -51.088 1.00 33.24 N1+ ATOM 296 NH2 ARG A 192 -13.290 -18.444 -51.120 1.00 13.53 N ATOM 0 H ARG A 192 -8.169 -13.742 -49.520 1.00 54.31 H new ATOM 0 HA ARG A 192 -10.335 -13.286 -49.655 1.00 71.24 H new ATOM 0 HB2 ARG A 192 -10.610 -15.729 -48.791 1.00 53.03 H new ATOM 0 HB3 ARG A 192 -11.071 -14.966 -47.283 1.00 53.03 H new ATOM 0 HG2 ARG A 192 -13.134 -15.240 -48.369 1.00 10.34 H new ATOM 0 HG3 ARG A 192 -12.743 -13.566 -48.709 1.00 10.34 H new ATOM 0 HD2 ARG A 192 -13.499 -14.474 -50.789 1.00 64.52 H new ATOM 0 HD3 ARG A 192 -11.758 -14.353 -50.945 1.00 64.52 H new ATOM 0 HE ARG A 192 -11.551 -16.737 -50.695 1.00 53.10 H new ATOM 0 HH11 ARG A 192 -14.936 -15.691 -50.965 1.00 33.24 H new ATOM 0 HH12 ARG A 192 -15.510 -17.328 -51.296 1.00 33.24 H new ATOM 0 HH21 ARG A 192 -12.347 -18.821 -51.022 1.00 13.53 H new ATOM 0 HH22 ARG A 192 -14.070 -19.068 -51.328 1.00 13.53 H new ATOM 310 N THR A 193 -11.005 -11.489 -48.023 1.00 21.21 N ATOM 311 CA THR A 193 -11.150 -10.239 -47.287 1.00 71.03 C ATOM 312 C THR A 193 -12.119 -9.370 -48.078 1.00 61.34 C ATOM 313 O THR A 193 -12.249 -9.521 -49.300 1.00 73.14 O ATOM 314 CB THR A 193 -9.777 -9.533 -47.137 1.00 53.20 C ATOM 315 OG1 THR A 193 -9.901 -8.234 -46.587 1.00 41.42 O ATOM 316 CG2 THR A 193 -9.036 -9.428 -48.475 1.00 75.33 C ATOM 0 H THR A 193 -11.572 -11.518 -48.870 1.00 21.21 H new ATOM 0 HA THR A 193 -11.528 -10.421 -46.281 1.00 71.03 H new ATOM 0 HB THR A 193 -9.201 -10.157 -46.454 1.00 53.20 H new ATOM 0 HG1 THR A 193 -9.013 -7.826 -46.508 1.00 41.42 H new ATOM 0 HG21 THR A 193 -8.080 -8.927 -48.323 1.00 75.33 H new ATOM 0 HG22 THR A 193 -8.863 -10.427 -48.874 1.00 75.33 H new ATOM 0 HG23 THR A 193 -9.638 -8.855 -49.180 1.00 75.33 H new ATOM 324 N TYR A 194 -12.749 -8.414 -47.405 1.00 32.21 N ATOM 325 CA TYR A 194 -13.529 -7.359 -48.019 1.00 24.41 C ATOM 326 C TYR A 194 -13.388 -6.033 -47.277 1.00 2.42 C ATOM 327 O TYR A 194 -14.142 -5.092 -47.538 1.00 43.14 O ATOM 328 CB TYR A 194 -14.990 -7.821 -48.063 1.00 72.14 C ATOM 329 CG TYR A 194 -15.483 -8.305 -46.711 1.00 73.13 C ATOM 330 CD1 TYR A 194 -15.811 -7.380 -45.705 1.00 72.31 C ATOM 331 CD2 TYR A 194 -15.486 -9.679 -46.419 1.00 45.31 C ATOM 332 CE1 TYR A 194 -16.129 -7.822 -44.413 1.00 32.21 C ATOM 333 CE2 TYR A 194 -15.816 -10.131 -45.133 1.00 5.30 C ATOM 334 CZ TYR A 194 -16.144 -9.204 -44.117 1.00 42.51 C ATOM 335 OH TYR A 194 -16.485 -9.633 -42.871 1.00 72.23 O ATOM 0 H TYR A 194 -12.727 -8.355 -46.387 1.00 32.21 H new ATOM 0 HA TYR A 194 -13.160 -7.175 -49.028 1.00 24.41 H new ATOM 0 HB2 TYR A 194 -15.619 -6.998 -48.403 1.00 72.14 H new ATOM 0 HB3 TYR A 194 -15.093 -8.624 -48.793 1.00 72.14 H new ATOM 0 HD1 TYR A 194 -15.818 -6.323 -45.928 1.00 72.31 H new ATOM 0 HD2 TYR A 194 -15.233 -10.392 -47.190 1.00 45.31 H new ATOM 0 HE1 TYR A 194 -16.363 -7.104 -43.641 1.00 32.21 H new ATOM 0 HE2 TYR A 194 -15.820 -11.189 -44.918 1.00 5.30 H new ATOM 0 HH TYR A 194 -16.445 -10.612 -42.840 1.00 72.23 H new ATOM 345 N SER A 195 -12.405 -5.918 -46.385 1.00 32.13 N ATOM 346 CA SER A 195 -12.216 -4.718 -45.576 1.00 10.15 C ATOM 347 C SER A 195 -10.750 -4.506 -45.213 1.00 61.15 C ATOM 348 O SER A 195 -10.143 -5.336 -44.533 1.00 42.40 O ATOM 349 CB SER A 195 -13.171 -4.707 -44.369 1.00 65.44 C ATOM 350 OG SER A 195 -12.992 -5.789 -43.472 1.00 24.24 O ATOM 0 H SER A 195 -11.720 -6.652 -46.204 1.00 32.13 H new ATOM 0 HA SER A 195 -12.487 -3.850 -46.177 1.00 10.15 H new ATOM 0 HB2 SER A 195 -13.037 -3.773 -43.824 1.00 65.44 H new ATOM 0 HB3 SER A 195 -14.198 -4.719 -44.734 1.00 65.44 H new ATOM 0 HG SER A 195 -12.052 -6.065 -43.476 1.00 24.24 H new ATOM 356 N LYS A 196 -10.163 -3.410 -45.706 1.00 35.23 N ATOM 357 CA LYS A 196 -8.778 -3.029 -45.407 1.00 32.13 C ATOM 358 C LYS A 196 -8.563 -1.519 -45.346 1.00 0.52 C ATOM 359 O LYS A 196 -7.458 -1.040 -45.097 1.00 54.11 O ATOM 360 CB LYS A 196 -7.889 -3.731 -46.452 1.00 20.51 C ATOM 361 CG LYS A 196 -6.368 -3.553 -46.312 1.00 51.31 C ATOM 362 CD LYS A 196 -5.690 -4.567 -47.241 1.00 13.40 C ATOM 363 CE LYS A 196 -4.209 -4.317 -47.512 1.00 13.14 C ATOM 364 NZ LYS A 196 -3.366 -4.376 -46.305 1.00 11.14 N1+ ATOM 0 H LYS A 196 -10.639 -2.757 -46.329 1.00 35.23 H new ATOM 0 HA LYS A 196 -8.508 -3.356 -44.403 1.00 32.13 H new ATOM 0 HB2 LYS A 196 -8.109 -4.798 -46.421 1.00 20.51 H new ATOM 0 HB3 LYS A 196 -8.182 -3.374 -47.439 1.00 20.51 H new ATOM 0 HG2 LYS A 196 -6.076 -2.537 -46.578 1.00 51.31 H new ATOM 0 HG3 LYS A 196 -6.058 -3.714 -45.279 1.00 51.31 H new ATOM 0 HD2 LYS A 196 -5.800 -5.561 -46.808 1.00 13.40 H new ATOM 0 HD3 LYS A 196 -6.220 -4.573 -48.193 1.00 13.40 H new ATOM 0 HE2 LYS A 196 -3.851 -5.054 -48.230 1.00 13.14 H new ATOM 0 HE3 LYS A 196 -4.094 -3.338 -47.977 1.00 13.14 H new ATOM 0 HZ1 LYS A 196 -2.375 -4.197 -46.565 1.00 11.14 H new ATOM 0 HZ2 LYS A 196 -3.682 -3.655 -45.626 1.00 11.14 H new ATOM 0 HZ3 LYS A 196 -3.446 -5.318 -45.872 1.00 11.14 H new ATOM 378 N GLN A 197 -9.638 -0.762 -45.473 1.00 54.34 N ATOM 379 CA GLN A 197 -9.598 0.670 -45.754 1.00 31.24 C ATOM 380 C GLN A 197 -9.879 1.512 -44.505 1.00 14.24 C ATOM 381 O GLN A 197 -9.971 2.737 -44.576 1.00 54.12 O ATOM 382 CB GLN A 197 -10.516 0.969 -46.957 1.00 52.12 C ATOM 383 CG GLN A 197 -10.164 2.285 -47.669 1.00 43.43 C ATOM 384 CD GLN A 197 -10.993 2.507 -48.932 1.00 62.31 C ATOM 385 OE1 GLN A 197 -12.220 2.420 -48.906 1.00 22.03 O ATOM 386 NE2 GLN A 197 -10.359 2.798 -50.057 1.00 44.20 N ATOM 0 H GLN A 197 -10.585 -1.129 -45.383 1.00 54.34 H new ATOM 0 HA GLN A 197 -8.589 0.967 -46.039 1.00 31.24 H new ATOM 0 HB2 GLN A 197 -10.450 0.147 -47.670 1.00 52.12 H new ATOM 0 HB3 GLN A 197 -11.550 1.012 -46.616 1.00 52.12 H new ATOM 0 HG2 GLN A 197 -10.321 3.118 -46.984 1.00 43.43 H new ATOM 0 HG3 GLN A 197 -9.105 2.282 -47.929 1.00 43.43 H new ATOM 0 HE21 GLN A 197 -9.341 2.867 -50.066 1.00 44.20 H new ATOM 0 HE22 GLN A 197 -10.888 2.953 -50.915 1.00 44.20 H new ATOM 395 N SER A 198 -10.012 0.878 -43.342 1.00 41.44 N ATOM 396 CA SER A 198 -10.146 1.558 -42.065 1.00 54.41 C ATOM 397 C SER A 198 -9.623 0.635 -40.967 1.00 63.14 C ATOM 398 O SER A 198 -10.268 -0.356 -40.605 1.00 14.14 O ATOM 399 CB SER A 198 -11.604 1.994 -41.853 1.00 23.42 C ATOM 400 OG SER A 198 -11.656 3.323 -41.373 1.00 4.34 O ATOM 0 H SER A 198 -10.029 -0.139 -43.264 1.00 41.44 H new ATOM 0 HA SER A 198 -9.551 2.471 -42.040 1.00 54.41 H new ATOM 0 HB2 SER A 198 -12.153 1.918 -42.791 1.00 23.42 H new ATOM 0 HB3 SER A 198 -12.091 1.325 -41.143 1.00 23.42 H new ATOM 0 HG SER A 198 -12.591 3.588 -41.244 1.00 4.34 H new ATOM 406 N LYS A 199 -8.426 0.934 -40.468 1.00 11.23 N ATOM 407 CA LYS A 199 -7.761 0.204 -39.397 1.00 2.21 C ATOM 408 C LYS A 199 -7.498 1.198 -38.262 1.00 2.30 C ATOM 409 O LYS A 199 -6.380 1.692 -38.146 1.00 75.01 O ATOM 410 CB LYS A 199 -6.475 -0.441 -39.944 1.00 55.42 C ATOM 411 CG LYS A 199 -6.741 -1.549 -40.980 1.00 60.32 C ATOM 412 CD LYS A 199 -7.246 -2.869 -40.382 1.00 62.24 C ATOM 413 CE LYS A 199 -6.145 -3.516 -39.533 1.00 63.50 C ATOM 414 NZ LYS A 199 -6.519 -4.846 -39.017 1.00 45.33 N1+ ATOM 0 H LYS A 199 -7.874 1.720 -40.812 1.00 11.23 H new ATOM 0 HA LYS A 199 -8.374 -0.609 -39.008 1.00 2.21 H new ATOM 0 HB2 LYS A 199 -5.855 0.331 -40.400 1.00 55.42 H new ATOM 0 HB3 LYS A 199 -5.905 -0.859 -39.114 1.00 55.42 H new ATOM 0 HG2 LYS A 199 -7.474 -1.187 -41.701 1.00 60.32 H new ATOM 0 HG3 LYS A 199 -5.821 -1.743 -41.531 1.00 60.32 H new ATOM 0 HD2 LYS A 199 -8.129 -2.686 -39.769 1.00 62.24 H new ATOM 0 HD3 LYS A 199 -7.547 -3.548 -41.180 1.00 62.24 H new ATOM 0 HE2 LYS A 199 -5.239 -3.607 -40.132 1.00 63.50 H new ATOM 0 HE3 LYS A 199 -5.909 -2.861 -38.695 1.00 63.50 H new ATOM 0 HZ1 LYS A 199 -5.736 -5.232 -38.452 1.00 45.33 H new ATOM 0 HZ2 LYS A 199 -7.367 -4.761 -38.421 1.00 45.33 H new ATOM 0 HZ3 LYS A 199 -6.718 -5.484 -39.814 1.00 45.33 H new ATOM 428 N PRO A 200 -8.518 1.552 -37.464 1.00 22.33 N ATOM 429 CA PRO A 200 -8.364 2.510 -36.383 1.00 61.21 C ATOM 430 C PRO A 200 -7.527 1.874 -35.272 1.00 63.15 C ATOM 431 O PRO A 200 -7.985 0.942 -34.606 1.00 70.42 O ATOM 432 CB PRO A 200 -9.786 2.855 -35.935 1.00 43.42 C ATOM 433 CG PRO A 200 -10.588 1.603 -36.278 1.00 75.53 C ATOM 434 CD PRO A 200 -9.892 1.075 -37.530 1.00 21.14 C ATOM 0 HA PRO A 200 -7.841 3.420 -36.677 1.00 61.21 H new ATOM 0 HB2 PRO A 200 -9.827 3.077 -34.869 1.00 43.42 H new ATOM 0 HB3 PRO A 200 -10.169 3.731 -36.458 1.00 43.42 H new ATOM 0 HG2 PRO A 200 -10.565 0.875 -35.467 1.00 75.53 H new ATOM 0 HG3 PRO A 200 -11.636 1.835 -36.468 1.00 75.53 H new ATOM 0 HD2 PRO A 200 -9.925 -0.014 -37.563 1.00 21.14 H new ATOM 0 HD3 PRO A 200 -10.386 1.436 -38.432 1.00 21.14 H new ATOM 442 N LEU A 201 -6.293 2.337 -35.087 1.00 44.43 N ATOM 443 CA LEU A 201 -5.368 1.799 -34.101 1.00 11.42 C ATOM 444 C LEU A 201 -4.488 2.923 -33.580 1.00 51.40 C ATOM 445 O LEU A 201 -3.756 3.554 -34.346 1.00 54.24 O ATOM 446 CB LEU A 201 -4.592 0.605 -34.694 1.00 24.05 C ATOM 447 CG LEU A 201 -3.568 0.908 -35.813 1.00 44.05 C ATOM 448 CD1 LEU A 201 -2.140 0.911 -35.256 1.00 42.43 C ATOM 449 CD2 LEU A 201 -3.630 -0.124 -36.943 1.00 3.33 C ATOM 0 H LEU A 201 -5.904 3.109 -35.628 1.00 44.43 H new ATOM 0 HA LEU A 201 -5.902 1.398 -33.240 1.00 11.42 H new ATOM 0 HB2 LEU A 201 -4.064 0.108 -33.880 1.00 24.05 H new ATOM 0 HB3 LEU A 201 -5.318 -0.108 -35.085 1.00 24.05 H new ATOM 0 HG LEU A 201 -3.827 1.890 -36.208 1.00 44.05 H new ATOM 0 HD11 LEU A 201 -1.436 1.126 -36.060 1.00 42.43 H new ATOM 0 HD12 LEU A 201 -2.053 1.675 -34.483 1.00 42.43 H new ATOM 0 HD13 LEU A 201 -1.914 -0.066 -34.828 1.00 42.43 H new ATOM 0 HD21 LEU A 201 -2.894 0.128 -37.707 1.00 3.33 H new ATOM 0 HD22 LEU A 201 -3.413 -1.115 -36.543 1.00 3.33 H new ATOM 0 HD23 LEU A 201 -4.627 -0.121 -37.384 1.00 3.33 H new ATOM 461 N PHE A 202 -4.596 3.224 -32.287 1.00 5.10 N ATOM 462 CA PHE A 202 -3.710 4.167 -31.623 1.00 64.12 C ATOM 463 C PHE A 202 -3.732 3.908 -30.114 1.00 52.51 C ATOM 464 O PHE A 202 -4.590 3.174 -29.617 1.00 4.24 O ATOM 465 CB PHE A 202 -4.142 5.608 -31.948 1.00 64.31 C ATOM 466 CG PHE A 202 -2.975 6.570 -32.004 1.00 42.43 C ATOM 467 CD1 PHE A 202 -2.140 6.592 -33.139 1.00 30.41 C ATOM 468 CD2 PHE A 202 -2.709 7.433 -30.927 1.00 65.05 C ATOM 469 CE1 PHE A 202 -1.042 7.468 -33.191 1.00 24.05 C ATOM 470 CE2 PHE A 202 -1.604 8.299 -30.970 1.00 14.43 C ATOM 471 CZ PHE A 202 -0.772 8.318 -32.103 1.00 35.32 C ATOM 0 H PHE A 202 -5.302 2.818 -31.673 1.00 5.10 H new ATOM 0 HA PHE A 202 -2.689 4.033 -31.982 1.00 64.12 H new ATOM 0 HB2 PHE A 202 -4.663 5.619 -32.905 1.00 64.31 H new ATOM 0 HB3 PHE A 202 -4.852 5.949 -31.195 1.00 64.31 H new ATOM 0 HD1 PHE A 202 -2.344 5.934 -33.971 1.00 30.41 H new ATOM 0 HD2 PHE A 202 -3.357 7.430 -30.063 1.00 65.05 H new ATOM 0 HE1 PHE A 202 -0.407 7.489 -34.064 1.00 24.05 H new ATOM 0 HE2 PHE A 202 -1.394 8.949 -30.134 1.00 14.43 H new ATOM 0 HZ PHE A 202 0.076 8.986 -32.138 1.00 35.32 H new ATOM 481 N SER A 203 -2.800 4.528 -29.381 1.00 15.14 N ATOM 482 CA SER A 203 -2.617 4.438 -27.926 1.00 33.33 C ATOM 483 C SER A 203 -2.331 3.016 -27.406 1.00 3.11 C ATOM 484 O SER A 203 -2.048 2.826 -26.226 1.00 43.21 O ATOM 485 CB SER A 203 -3.803 5.087 -27.197 1.00 34.23 C ATOM 486 OG SER A 203 -3.364 5.984 -26.189 1.00 54.15 O ATOM 0 H SER A 203 -2.111 5.144 -29.813 1.00 15.14 H new ATOM 0 HA SER A 203 -1.710 4.998 -27.699 1.00 33.33 H new ATOM 0 HB2 SER A 203 -4.425 5.621 -27.915 1.00 34.23 H new ATOM 0 HB3 SER A 203 -4.426 4.312 -26.750 1.00 34.23 H new ATOM 0 HG SER A 203 -4.141 6.382 -25.744 1.00 54.15 H new ATOM 492 N ASN A 204 -2.319 2.013 -28.275 1.00 33.34 N ATOM 493 CA ASN A 204 -2.427 0.596 -27.960 1.00 23.22 C ATOM 494 C ASN A 204 -1.151 -0.177 -28.307 1.00 63.13 C ATOM 495 O ASN A 204 -1.201 -1.404 -28.325 1.00 34.55 O ATOM 496 CB ASN A 204 -3.636 0.016 -28.725 1.00 43.13 C ATOM 497 CG ASN A 204 -3.345 -0.088 -30.221 1.00 52.12 C ATOM 498 OD1 ASN A 204 -2.837 0.856 -30.823 1.00 12.14 O ATOM 499 ND2 ASN A 204 -3.632 -1.213 -30.844 1.00 65.03 N ATOM 0 H ASN A 204 -2.228 2.178 -29.277 1.00 33.34 H new ATOM 0 HA ASN A 204 -2.569 0.489 -26.885 1.00 23.22 H new ATOM 0 HB2 ASN A 204 -3.881 -0.970 -28.330 1.00 43.13 H new ATOM 0 HB3 ASN A 204 -4.509 0.649 -28.565 1.00 43.13 H new ATOM 0 HD21 ASN A 204 -3.433 -1.310 -31.840 1.00 65.03 H new ATOM 0 HD22 ASN A 204 -4.053 -1.987 -30.331 1.00 65.03 H new ATOM 506 N LYS A 205 -0.030 0.497 -28.609 1.00 32.23 N ATOM 507 CA LYS A 205 1.177 -0.169 -29.106 1.00 5.31 C ATOM 508 C LYS A 205 2.362 -0.103 -28.148 1.00 74.31 C ATOM 509 O LYS A 205 3.126 -1.062 -28.133 1.00 44.22 O ATOM 510 CB LYS A 205 1.554 0.354 -30.501 1.00 4.33 C ATOM 511 CG LYS A 205 0.451 0.083 -31.544 1.00 24.12 C ATOM 512 CD LYS A 205 -0.097 1.365 -32.176 1.00 43.10 C ATOM 513 CE LYS A 205 0.913 1.960 -33.164 1.00 53.42 C ATOM 514 NZ LYS A 205 0.441 3.229 -33.750 1.00 41.42 N1+ ATOM 0 H LYS A 205 0.062 1.509 -28.516 1.00 32.23 H new ATOM 0 HA LYS A 205 0.926 -1.227 -29.181 1.00 5.31 H new ATOM 0 HB2 LYS A 205 1.744 1.426 -30.446 1.00 4.33 H new ATOM 0 HB3 LYS A 205 2.482 -0.118 -30.825 1.00 4.33 H new ATOM 0 HG2 LYS A 205 0.849 -0.561 -32.328 1.00 24.12 H new ATOM 0 HG3 LYS A 205 -0.366 -0.460 -31.069 1.00 24.12 H new ATOM 0 HD2 LYS A 205 -1.033 1.150 -32.691 1.00 43.10 H new ATOM 0 HD3 LYS A 205 -0.322 2.093 -31.396 1.00 43.10 H new ATOM 0 HE2 LYS A 205 1.861 2.128 -32.654 1.00 53.42 H new ATOM 0 HE3 LYS A 205 1.104 1.242 -33.962 1.00 53.42 H new ATOM 0 HZ1 LYS A 205 0.937 3.403 -34.647 1.00 41.42 H new ATOM 0 HZ2 LYS A 205 -0.582 3.171 -33.926 1.00 41.42 H new ATOM 0 HZ3 LYS A 205 0.635 4.009 -33.090 1.00 41.42 H new ATOM 528 N ARG A 206 2.579 0.980 -27.394 1.00 72.04 N ATOM 529 CA ARG A 206 3.741 1.108 -26.499 1.00 44.22 C ATOM 530 C ARG A 206 3.454 1.981 -25.269 1.00 14.02 C ATOM 531 O ARG A 206 4.400 2.484 -24.654 1.00 71.11 O ATOM 532 CB ARG A 206 4.988 1.590 -27.288 1.00 34.22 C ATOM 533 CG ARG A 206 5.789 0.478 -28.004 1.00 44.22 C ATOM 534 CD ARG A 206 7.290 0.738 -27.827 1.00 73.05 C ATOM 535 NE ARG A 206 8.155 -0.172 -28.596 1.00 44.20 N ATOM 536 CZ ARG A 206 9.497 -0.131 -28.542 1.00 1.34 C ATOM 537 NH1 ARG A 206 10.093 0.645 -27.647 1.00 3.11 N1+ ATOM 538 NH2 ARG A 206 10.236 -0.847 -29.375 1.00 20.34 N ATOM 0 H ARG A 206 1.959 1.790 -27.384 1.00 72.04 H new ATOM 0 HA ARG A 206 3.958 0.115 -26.104 1.00 44.22 H new ATOM 0 HB2 ARG A 206 4.667 2.320 -28.032 1.00 34.22 H new ATOM 0 HB3 ARG A 206 5.655 2.109 -26.599 1.00 34.22 H new ATOM 0 HG2 ARG A 206 5.526 -0.497 -27.593 1.00 44.22 H new ATOM 0 HG3 ARG A 206 5.535 0.456 -29.064 1.00 44.22 H new ATOM 0 HD2 ARG A 206 7.507 1.764 -28.123 1.00 73.05 H new ATOM 0 HD3 ARG A 206 7.540 0.652 -26.770 1.00 73.05 H new ATOM 0 HE ARG A 206 7.714 -0.867 -29.199 1.00 44.20 H new ATOM 0 HH11 ARG A 206 9.533 1.206 -27.005 1.00 3.11 H new ATOM 0 HH12 ARG A 206 11.111 0.681 -27.601 1.00 3.11 H new ATOM 0 HH21 ARG A 206 9.788 -1.442 -30.072 1.00 20.34 H new ATOM 0 HH22 ARG A 206 11.254 -0.804 -29.320 1.00 20.34 H new ATOM 552 N LYS A 207 2.190 2.193 -24.890 1.00 13.45 N ATOM 553 CA LYS A 207 1.793 2.918 -23.694 1.00 44.04 C ATOM 554 C LYS A 207 1.171 1.973 -22.683 1.00 62.01 C ATOM 555 O LYS A 207 0.212 1.271 -23.018 1.00 42.43 O ATOM 556 CB LYS A 207 0.782 4.028 -24.001 1.00 24.21 C ATOM 557 CG LYS A 207 1.381 5.211 -24.767 1.00 43.43 C ATOM 558 CD LYS A 207 0.335 6.319 -24.941 1.00 14.11 C ATOM 559 CE LYS A 207 0.155 7.137 -23.654 1.00 12.52 C ATOM 560 NZ LYS A 207 -1.171 7.782 -23.616 1.00 13.51 N1+ ATOM 0 H LYS A 207 1.395 1.851 -25.429 1.00 13.45 H new ATOM 0 HA LYS A 207 2.698 3.369 -23.289 1.00 44.04 H new ATOM 0 HB2 LYS A 207 -0.039 3.609 -24.582 1.00 24.21 H new ATOM 0 HB3 LYS A 207 0.358 4.390 -23.065 1.00 24.21 H new ATOM 0 HG2 LYS A 207 2.246 5.600 -24.230 1.00 43.43 H new ATOM 0 HG3 LYS A 207 1.735 4.879 -25.743 1.00 43.43 H new ATOM 0 HD2 LYS A 207 0.637 6.980 -25.753 1.00 14.11 H new ATOM 0 HD3 LYS A 207 -0.619 5.877 -25.228 1.00 14.11 H new ATOM 0 HE2 LYS A 207 0.272 6.487 -22.787 1.00 12.52 H new ATOM 0 HE3 LYS A 207 0.934 7.896 -23.590 1.00 12.52 H new ATOM 0 HZ1 LYS A 207 -1.266 8.328 -22.736 1.00 13.51 H new ATOM 0 HZ2 LYS A 207 -1.270 8.419 -24.432 1.00 13.51 H new ATOM 0 HZ3 LYS A 207 -1.912 7.054 -23.653 1.00 13.51 H new ATOM 574 N ILE A 208 1.646 2.012 -21.447 1.00 1.30 N ATOM 575 CA ILE A 208 0.991 1.452 -20.281 1.00 11.50 C ATOM 576 C ILE A 208 1.101 2.521 -19.174 1.00 21.22 C ATOM 577 O ILE A 208 1.926 3.437 -19.269 1.00 5.12 O ATOM 578 CB ILE A 208 1.610 0.076 -19.913 1.00 32.34 C ATOM 579 CG1 ILE A 208 1.900 -0.912 -21.078 1.00 21.11 C ATOM 580 CG2 ILE A 208 0.627 -0.648 -18.984 1.00 34.12 C ATOM 581 CD1 ILE A 208 3.242 -0.722 -21.792 1.00 64.43 C ATOM 0 H ILE A 208 2.537 2.455 -21.223 1.00 1.30 H new ATOM 0 HA ILE A 208 -0.062 1.231 -20.453 1.00 11.50 H new ATOM 0 HB ILE A 208 2.579 0.327 -19.481 1.00 32.34 H new ATOM 0 HG12 ILE A 208 1.858 -1.928 -20.687 1.00 21.11 H new ATOM 0 HG13 ILE A 208 1.102 -0.821 -21.814 1.00 21.11 H new ATOM 0 HG21 ILE A 208 1.036 -1.620 -18.708 1.00 34.12 H new ATOM 0 HG22 ILE A 208 0.470 -0.052 -18.085 1.00 34.12 H new ATOM 0 HG23 ILE A 208 -0.324 -0.787 -19.498 1.00 34.12 H new ATOM 0 HD11 ILE A 208 3.340 -1.463 -22.585 1.00 64.43 H new ATOM 0 HD12 ILE A 208 3.287 0.279 -22.222 1.00 64.43 H new ATOM 0 HD13 ILE A 208 4.055 -0.846 -21.077 1.00 64.43 H new ATOM 593 N HIS A 209 0.229 2.480 -18.166 1.00 41.32 N ATOM 594 CA HIS A 209 0.139 3.492 -17.117 1.00 63.01 C ATOM 595 C HIS A 209 0.998 3.074 -15.919 1.00 55.52 C ATOM 596 O HIS A 209 1.108 1.879 -15.638 1.00 14.34 O ATOM 597 CB HIS A 209 -1.335 3.651 -16.703 1.00 3.24 C ATOM 598 CG HIS A 209 -1.673 4.966 -16.050 1.00 14.44 C ATOM 599 ND1 HIS A 209 -2.316 5.140 -14.854 1.00 43.42 N flip ATOM 600 CD2 HIS A 209 -1.473 6.217 -16.592 1.00 41.34 C flip ATOM 601 CE1 HIS A 209 -2.454 6.515 -14.647 1.00 35.43 C flip ATOM 602 NE2 HIS A 209 -1.967 7.126 -15.739 1.00 2.45 N flip ATOM 0 H HIS A 209 -0.448 1.725 -18.055 1.00 41.32 H new ATOM 0 HA HIS A 209 0.511 4.448 -17.486 1.00 63.01 H new ATOM 0 HB2 HIS A 209 -1.961 3.530 -17.587 1.00 3.24 H new ATOM 0 HB3 HIS A 209 -1.593 2.844 -16.017 1.00 3.24 H new ATOM 0 HD2 HIS A 209 -1.000 6.429 -17.540 1.00 41.34 H new ATOM 0 HE1 HIS A 209 -2.873 6.995 -13.775 1.00 35.43 H new ATOM 0 HE2 HIS A 209 -1.972 8.134 -15.897 1.00 2.45 H new ATOM 610 N LEU A 210 1.530 4.037 -15.153 1.00 24.30 N ATOM 611 CA LEU A 210 2.294 3.736 -13.928 1.00 74.33 C ATOM 612 C LEU A 210 1.426 3.182 -12.798 1.00 64.15 C ATOM 613 O LEU A 210 1.949 2.680 -11.802 1.00 4.22 O ATOM 614 CB LEU A 210 3.049 4.977 -13.425 1.00 35.43 C ATOM 615 CG LEU A 210 4.559 4.944 -13.682 1.00 23.31 C ATOM 616 CD1 LEU A 210 5.276 3.853 -12.882 1.00 42.23 C ATOM 617 CD2 LEU A 210 4.898 4.817 -15.173 1.00 61.45 C ATOM 0 H LEU A 210 1.447 5.033 -15.358 1.00 24.30 H new ATOM 0 HA LEU A 210 3.005 2.960 -14.210 1.00 74.33 H new ATOM 0 HB2 LEU A 210 2.630 5.862 -13.904 1.00 35.43 H new ATOM 0 HB3 LEU A 210 2.877 5.083 -12.354 1.00 35.43 H new ATOM 0 HG LEU A 210 4.928 5.908 -13.331 1.00 23.31 H new ATOM 0 HD11 LEU A 210 6.342 3.879 -13.106 1.00 42.23 H new ATOM 0 HD12 LEU A 210 5.125 4.024 -11.816 1.00 42.23 H new ATOM 0 HD13 LEU A 210 4.872 2.878 -13.154 1.00 42.23 H new ATOM 0 HD21 LEU A 210 5.980 4.798 -15.300 1.00 61.45 H new ATOM 0 HD22 LEU A 210 4.471 3.895 -15.566 1.00 61.45 H new ATOM 0 HD23 LEU A 210 4.484 5.668 -15.714 1.00 61.45 H new ATOM 629 N SER A 211 0.110 3.272 -12.945 1.00 3.02 N ATOM 630 CA SER A 211 -0.886 2.716 -12.050 1.00 64.31 C ATOM 631 C SER A 211 -1.948 2.026 -12.916 1.00 54.04 C ATOM 632 O SER A 211 -3.144 2.261 -12.761 1.00 2.11 O ATOM 633 CB SER A 211 -1.408 3.823 -11.114 1.00 73.53 C ATOM 634 OG SER A 211 -1.534 5.075 -11.775 1.00 23.32 O ATOM 0 H SER A 211 -0.309 3.762 -13.735 1.00 3.02 H new ATOM 0 HA SER A 211 -0.485 1.955 -11.380 1.00 64.31 H new ATOM 0 HB2 SER A 211 -2.377 3.528 -10.712 1.00 73.53 H new ATOM 0 HB3 SER A 211 -0.730 3.929 -10.267 1.00 73.53 H new ATOM 0 HG SER A 211 -1.776 4.927 -12.713 1.00 23.32 H new ATOM 640 N GLU A 212 -1.509 1.237 -13.906 1.00 61.43 N ATOM 641 CA GLU A 212 -2.369 0.329 -14.659 1.00 71.32 C ATOM 642 C GLU A 212 -3.185 -0.508 -13.667 1.00 51.54 C ATOM 643 O GLU A 212 -2.598 -1.215 -12.852 1.00 40.14 O ATOM 644 CB GLU A 212 -1.550 -0.528 -15.645 1.00 52.21 C ATOM 645 CG GLU A 212 -0.382 -1.328 -15.039 1.00 41.53 C ATOM 646 CD GLU A 212 0.406 -2.117 -16.088 1.00 31.35 C ATOM 647 OE1 GLU A 212 -0.179 -2.907 -16.863 1.00 43.43 O ATOM 648 OE2 GLU A 212 1.650 -1.974 -16.160 1.00 24.25 O1- ATOM 0 H GLU A 212 -0.534 1.215 -14.206 1.00 61.43 H new ATOM 0 HA GLU A 212 -3.064 0.896 -15.278 1.00 71.32 H new ATOM 0 HB2 GLU A 212 -2.227 -1.227 -16.136 1.00 52.21 H new ATOM 0 HB3 GLU A 212 -1.152 0.127 -16.420 1.00 52.21 H new ATOM 0 HG2 GLU A 212 0.292 -0.644 -14.524 1.00 41.53 H new ATOM 0 HG3 GLU A 212 -0.770 -2.017 -14.289 1.00 41.53 H new ATOM 655 N LEU A 213 -4.514 -0.376 -13.653 1.00 24.44 N ATOM 656 CA LEU A 213 -5.382 -1.043 -12.683 1.00 44.23 C ATOM 657 C LEU A 213 -6.676 -1.503 -13.345 1.00 32.50 C ATOM 658 O LEU A 213 -7.000 -1.088 -14.460 1.00 52.31 O ATOM 659 CB LEU A 213 -5.660 -0.102 -11.492 1.00 53.53 C ATOM 660 CG LEU A 213 -5.261 -0.726 -10.138 1.00 40.33 C ATOM 661 CD1 LEU A 213 -4.727 0.368 -9.221 1.00 1.01 C ATOM 662 CD2 LEU A 213 -6.412 -1.479 -9.456 1.00 32.21 C ATOM 0 H LEU A 213 -5.021 0.203 -14.322 1.00 24.44 H new ATOM 0 HA LEU A 213 -4.876 -1.931 -12.305 1.00 44.23 H new ATOM 0 HB2 LEU A 213 -5.112 0.830 -11.634 1.00 53.53 H new ATOM 0 HB3 LEU A 213 -6.720 0.151 -11.473 1.00 53.53 H new ATOM 0 HG LEU A 213 -4.488 -1.468 -10.336 1.00 40.33 H new ATOM 0 HD11 LEU A 213 -4.443 -0.067 -8.263 1.00 1.01 H new ATOM 0 HD12 LEU A 213 -3.855 0.834 -9.680 1.00 1.01 H new ATOM 0 HD13 LEU A 213 -5.500 1.120 -9.064 1.00 1.01 H new ATOM 0 HD21 LEU A 213 -6.065 -1.893 -8.509 1.00 32.21 H new ATOM 0 HD22 LEU A 213 -7.237 -0.791 -9.271 1.00 32.21 H new ATOM 0 HD23 LEU A 213 -6.752 -2.288 -10.103 1.00 32.21 H new ATOM 674 N MET A 214 -7.386 -2.386 -12.638 1.00 0.24 N ATOM 675 CA MET A 214 -8.698 -2.942 -12.951 1.00 32.05 C ATOM 676 C MET A 214 -9.309 -3.494 -11.649 1.00 23.33 C ATOM 677 O MET A 214 -9.327 -4.711 -11.449 1.00 53.34 O ATOM 678 CB MET A 214 -8.618 -4.022 -14.062 1.00 13.22 C ATOM 679 CG MET A 214 -8.594 -3.442 -15.481 1.00 41.51 C ATOM 680 SD MET A 214 -9.037 -4.598 -16.811 1.00 21.51 S ATOM 681 CE MET A 214 -10.825 -4.762 -16.541 1.00 63.42 C ATOM 0 H MET A 214 -7.025 -2.759 -11.760 1.00 0.24 H new ATOM 0 HA MET A 214 -9.343 -2.159 -13.351 1.00 32.05 H new ATOM 0 HB2 MET A 214 -7.722 -4.623 -13.909 1.00 13.22 H new ATOM 0 HB3 MET A 214 -9.472 -4.693 -13.967 1.00 13.22 H new ATOM 0 HG2 MET A 214 -9.278 -2.594 -15.519 1.00 41.51 H new ATOM 0 HG3 MET A 214 -7.594 -3.055 -15.679 1.00 41.51 H new ATOM 0 HE1 MET A 214 -11.270 -5.311 -17.371 1.00 63.42 H new ATOM 0 HE2 MET A 214 -11.005 -5.302 -15.611 1.00 63.42 H new ATOM 0 HE3 MET A 214 -11.276 -3.772 -16.478 1.00 63.42 H new ATOM 691 N LEU A 215 -9.729 -2.619 -10.723 1.00 34.21 N ATOM 692 CA LEU A 215 -10.616 -2.933 -9.592 1.00 73.12 C ATOM 693 C LEU A 215 -11.076 -1.629 -8.937 1.00 63.53 C ATOM 694 O LEU A 215 -10.316 -0.665 -8.849 1.00 4.22 O ATOM 695 CB LEU A 215 -9.929 -3.877 -8.577 1.00 11.32 C ATOM 696 CG LEU A 215 -10.665 -4.120 -7.239 1.00 5.51 C ATOM 697 CD1 LEU A 215 -10.483 -5.560 -6.752 1.00 20.01 C ATOM 698 CD2 LEU A 215 -10.146 -3.191 -6.140 1.00 75.40 C ATOM 0 H LEU A 215 -9.450 -1.638 -10.742 1.00 34.21 H new ATOM 0 HA LEU A 215 -11.491 -3.467 -9.962 1.00 73.12 H new ATOM 0 HB2 LEU A 215 -9.777 -4.842 -9.060 1.00 11.32 H new ATOM 0 HB3 LEU A 215 -8.942 -3.473 -8.353 1.00 11.32 H new ATOM 0 HG LEU A 215 -11.719 -3.921 -7.432 1.00 5.51 H new ATOM 0 HD11 LEU A 215 -11.013 -5.695 -5.809 1.00 20.01 H new ATOM 0 HD12 LEU A 215 -10.883 -6.249 -7.496 1.00 20.01 H new ATOM 0 HD13 LEU A 215 -9.422 -5.763 -6.604 1.00 20.01 H new ATOM 0 HD21 LEU A 215 -10.684 -3.388 -5.213 1.00 75.40 H new ATOM 0 HD22 LEU A 215 -9.082 -3.368 -5.986 1.00 75.40 H new ATOM 0 HD23 LEU A 215 -10.302 -2.154 -6.437 1.00 75.40 H new ATOM 710 N GLU A 216 -12.308 -1.641 -8.429 1.00 42.34 N ATOM 711 CA GLU A 216 -12.963 -0.599 -7.634 1.00 21.22 C ATOM 712 C GLU A 216 -14.006 -1.262 -6.702 1.00 61.20 C ATOM 713 O GLU A 216 -15.179 -0.863 -6.672 1.00 11.33 O ATOM 714 CB GLU A 216 -13.696 0.401 -8.543 1.00 25.21 C ATOM 715 CG GLU A 216 -12.928 1.396 -9.406 1.00 54.02 C ATOM 716 CD GLU A 216 -13.944 2.411 -9.947 1.00 1.13 C ATOM 717 OE1 GLU A 216 -14.935 2.000 -10.601 1.00 13.22 O ATOM 718 OE2 GLU A 216 -13.835 3.620 -9.647 1.00 44.35 O1- ATOM 0 H GLU A 216 -12.923 -2.442 -8.573 1.00 42.34 H new ATOM 0 HA GLU A 216 -12.203 -0.070 -7.059 1.00 21.22 H new ATOM 0 HB2 GLU A 216 -14.326 -0.182 -9.215 1.00 25.21 H new ATOM 0 HB3 GLU A 216 -14.362 0.982 -7.905 1.00 25.21 H new ATOM 0 HG2 GLU A 216 -12.158 1.898 -8.820 1.00 54.02 H new ATOM 0 HG3 GLU A 216 -12.423 0.884 -10.225 1.00 54.02 H new ATOM 725 N LYS A 217 -13.646 -2.331 -5.988 1.00 71.23 N ATOM 726 CA LYS A 217 -14.593 -3.124 -5.211 1.00 24.12 C ATOM 727 C LYS A 217 -13.858 -3.718 -4.019 1.00 41.53 C ATOM 728 O LYS A 217 -12.939 -4.513 -4.212 1.00 65.12 O ATOM 729 CB LYS A 217 -15.218 -4.187 -6.132 1.00 63.53 C ATOM 730 CG LYS A 217 -16.254 -5.066 -5.415 1.00 33.31 C ATOM 731 CD LYS A 217 -17.474 -5.401 -6.284 1.00 21.23 C ATOM 732 CE LYS A 217 -17.154 -6.159 -7.580 1.00 11.23 C ATOM 733 NZ LYS A 217 -18.367 -6.388 -8.397 1.00 34.23 N1+ ATOM 0 H LYS A 217 -12.685 -2.670 -5.934 1.00 71.23 H new ATOM 0 HA LYS A 217 -15.411 -2.518 -4.820 1.00 24.12 H new ATOM 0 HB2 LYS A 217 -15.693 -3.692 -6.979 1.00 63.53 H new ATOM 0 HB3 LYS A 217 -14.428 -4.821 -6.535 1.00 63.53 H new ATOM 0 HG2 LYS A 217 -15.776 -5.993 -5.099 1.00 33.31 H new ATOM 0 HG3 LYS A 217 -16.589 -4.556 -4.512 1.00 33.31 H new ATOM 0 HD2 LYS A 217 -18.170 -5.997 -5.694 1.00 21.23 H new ATOM 0 HD3 LYS A 217 -17.986 -4.473 -6.539 1.00 21.23 H new ATOM 0 HE2 LYS A 217 -16.426 -5.594 -8.161 1.00 11.23 H new ATOM 0 HE3 LYS A 217 -16.694 -7.117 -7.337 1.00 11.23 H new ATOM 0 HZ1 LYS A 217 -18.110 -6.902 -9.264 1.00 34.23 H new ATOM 0 HZ2 LYS A 217 -19.052 -6.949 -7.852 1.00 34.23 H new ATOM 0 HZ3 LYS A 217 -18.792 -5.474 -8.651 1.00 34.23 H new ATOM 747 N CYS A 218 -14.247 -3.340 -2.800 1.00 72.34 N ATOM 748 CA CYS A 218 -13.611 -3.744 -1.548 1.00 52.25 C ATOM 749 C CYS A 218 -14.669 -4.357 -0.612 1.00 53.24 C ATOM 750 O CYS A 218 -15.101 -3.688 0.326 1.00 3.44 O ATOM 751 CB CYS A 218 -12.905 -2.508 -0.954 1.00 41.44 C ATOM 752 SG CYS A 218 -12.011 -2.909 0.575 1.00 24.22 S ATOM 0 H CYS A 218 -15.044 -2.721 -2.654 1.00 72.34 H new ATOM 0 HA CYS A 218 -12.857 -4.516 -1.703 1.00 52.25 H new ATOM 0 HB2 CYS A 218 -12.208 -2.101 -1.686 1.00 41.44 H new ATOM 0 HB3 CYS A 218 -13.642 -1.731 -0.750 1.00 41.44 H new ATOM 0 HG CYS A 218 -10.737 -2.980 0.327 1.00 24.22 H new ATOM 758 N PRO A 219 -15.144 -5.593 -0.855 1.00 2.24 N ATOM 759 CA PRO A 219 -16.244 -6.172 -0.090 1.00 23.03 C ATOM 760 C PRO A 219 -15.846 -6.724 1.289 1.00 53.55 C ATOM 761 O PRO A 219 -16.742 -7.099 2.050 1.00 51.44 O ATOM 762 CB PRO A 219 -16.799 -7.281 -0.991 1.00 13.32 C ATOM 763 CG PRO A 219 -15.563 -7.765 -1.736 1.00 34.20 C ATOM 764 CD PRO A 219 -14.785 -6.471 -1.961 1.00 63.34 C ATOM 0 HA PRO A 219 -16.975 -5.401 0.152 1.00 23.03 H new ATOM 0 HB2 PRO A 219 -17.260 -8.080 -0.411 1.00 13.32 H new ATOM 0 HB3 PRO A 219 -17.560 -6.904 -1.674 1.00 13.32 H new ATOM 0 HG2 PRO A 219 -14.992 -8.485 -1.150 1.00 34.20 H new ATOM 0 HG3 PRO A 219 -15.821 -8.252 -2.676 1.00 34.20 H new ATOM 0 HD2 PRO A 219 -13.711 -6.659 -1.978 1.00 63.34 H new ATOM 0 HD3 PRO A 219 -15.045 -6.020 -2.918 1.00 63.34 H new ATOM 772 N PHE A 220 -14.559 -6.831 1.639 1.00 52.33 N ATOM 773 CA PHE A 220 -14.128 -7.288 2.953 1.00 13.33 C ATOM 774 C PHE A 220 -13.729 -6.087 3.815 1.00 31.11 C ATOM 775 O PHE A 220 -13.158 -5.123 3.295 1.00 61.21 O ATOM 776 CB PHE A 220 -12.930 -8.240 2.829 1.00 12.53 C ATOM 777 CG PHE A 220 -13.143 -9.479 1.983 1.00 53.04 C ATOM 778 CD1 PHE A 220 -14.253 -10.323 2.182 1.00 11.32 C ATOM 779 CD2 PHE A 220 -12.168 -9.834 1.038 1.00 43.24 C ATOM 780 CE1 PHE A 220 -14.374 -11.515 1.448 1.00 35.04 C ATOM 781 CE2 PHE A 220 -12.287 -11.020 0.302 1.00 24.41 C ATOM 782 CZ PHE A 220 -13.384 -11.871 0.516 1.00 24.35 C ATOM 0 H PHE A 220 -13.789 -6.601 1.012 1.00 52.33 H new ATOM 0 HA PHE A 220 -14.957 -7.820 3.420 1.00 13.33 H new ATOM 0 HB2 PHE A 220 -12.091 -7.682 2.414 1.00 12.53 H new ATOM 0 HB3 PHE A 220 -12.638 -8.555 3.831 1.00 12.53 H new ATOM 0 HD1 PHE A 220 -15.013 -10.053 2.900 1.00 11.32 H new ATOM 0 HD2 PHE A 220 -11.318 -9.187 0.877 1.00 43.24 H new ATOM 0 HE1 PHE A 220 -15.228 -12.158 1.600 1.00 35.04 H new ATOM 0 HE2 PHE A 220 -11.536 -11.280 -0.429 1.00 24.41 H new ATOM 0 HZ PHE A 220 -13.466 -12.797 -0.034 1.00 24.35 H new ATOM 792 N PRO A 221 -13.916 -6.167 5.144 1.00 52.42 N ATOM 793 CA PRO A 221 -13.412 -5.170 6.073 1.00 64.02 C ATOM 794 C PRO A 221 -11.883 -5.135 6.033 1.00 52.52 C ATOM 795 O PRO A 221 -11.221 -6.177 6.036 1.00 61.24 O ATOM 796 CB PRO A 221 -13.933 -5.591 7.451 1.00 3.32 C ATOM 797 CG PRO A 221 -14.086 -7.104 7.326 1.00 31.34 C ATOM 798 CD PRO A 221 -14.512 -7.276 5.867 1.00 13.23 C ATOM 0 HA PRO A 221 -13.747 -4.164 5.822 1.00 64.02 H new ATOM 0 HB2 PRO A 221 -13.235 -5.322 8.244 1.00 3.32 H new ATOM 0 HB3 PRO A 221 -14.882 -5.109 7.686 1.00 3.32 H new ATOM 0 HG2 PRO A 221 -13.153 -7.625 7.540 1.00 31.34 H new ATOM 0 HG3 PRO A 221 -14.834 -7.494 8.016 1.00 31.34 H new ATOM 0 HD2 PRO A 221 -14.168 -8.231 5.470 1.00 13.23 H new ATOM 0 HD3 PRO A 221 -15.598 -7.265 5.773 1.00 13.23 H new ATOM 806 N ALA A 222 -11.328 -3.923 6.038 1.00 15.10 N ATOM 807 CA ALA A 222 -9.901 -3.668 6.177 1.00 33.50 C ATOM 808 C ALA A 222 -9.492 -3.962 7.623 1.00 45.31 C ATOM 809 O ALA A 222 -9.393 -3.061 8.451 1.00 5.14 O ATOM 810 CB ALA A 222 -9.601 -2.218 5.768 1.00 54.51 C ATOM 0 H ALA A 222 -11.878 -3.069 5.942 1.00 15.10 H new ATOM 0 HA ALA A 222 -9.319 -4.316 5.522 1.00 33.50 H new ATOM 0 HB1 ALA A 222 -8.533 -2.024 5.871 1.00 54.51 H new ATOM 0 HB2 ALA A 222 -9.899 -2.063 4.731 1.00 54.51 H new ATOM 0 HB3 ALA A 222 -10.157 -1.536 6.411 1.00 54.51 H new ATOM 816 N GLY A 223 -9.314 -5.242 7.936 1.00 72.54 N ATOM 817 CA GLY A 223 -9.011 -5.701 9.280 1.00 54.34 C ATOM 818 C GLY A 223 -8.984 -7.220 9.372 1.00 13.20 C ATOM 819 O GLY A 223 -9.336 -7.770 10.410 1.00 13.51 O ATOM 0 H GLY A 223 -9.378 -5.996 7.252 1.00 72.54 H new ATOM 0 HA2 GLY A 223 -8.045 -5.302 9.590 1.00 54.34 H new ATOM 0 HA3 GLY A 223 -9.755 -5.309 9.973 1.00 54.34 H new ATOM 823 N SER A 224 -8.631 -7.920 8.291 1.00 12.10 N ATOM 824 CA SER A 224 -8.575 -9.371 8.264 1.00 32.34 C ATOM 825 C SER A 224 -7.577 -9.822 7.196 1.00 62.33 C ATOM 826 O SER A 224 -7.241 -9.069 6.280 1.00 52.54 O ATOM 827 CB SER A 224 -9.996 -9.898 8.015 1.00 2.20 C ATOM 828 OG SER A 224 -10.053 -11.311 7.933 1.00 61.34 O ATOM 0 H SER A 224 -8.375 -7.485 7.405 1.00 12.10 H new ATOM 0 HA SER A 224 -8.224 -9.778 9.212 1.00 32.34 H new ATOM 0 HB2 SER A 224 -10.650 -9.559 8.819 1.00 2.20 H new ATOM 0 HB3 SER A 224 -10.380 -9.470 7.089 1.00 2.20 H new ATOM 0 HG SER A 224 -10.978 -11.592 7.776 1.00 61.34 H new ATOM 834 N ASP A 225 -7.183 -11.091 7.269 1.00 61.25 N ATOM 835 CA ASP A 225 -6.489 -11.838 6.219 1.00 53.22 C ATOM 836 C ASP A 225 -7.337 -11.885 4.941 1.00 11.51 C ATOM 837 O ASP A 225 -6.824 -12.098 3.841 1.00 20.21 O ATOM 838 CB ASP A 225 -6.259 -13.266 6.736 1.00 65.42 C ATOM 839 CG ASP A 225 -5.250 -14.105 5.942 1.00 1.12 C ATOM 840 OD1 ASP A 225 -4.588 -13.597 5.011 1.00 54.24 O1- ATOM 841 OD2 ASP A 225 -5.074 -15.293 6.296 1.00 40.32 O ATOM 0 H ASP A 225 -7.346 -11.656 8.103 1.00 61.25 H new ATOM 0 HA ASP A 225 -5.543 -11.353 5.980 1.00 53.22 H new ATOM 0 HB2 ASP A 225 -5.922 -13.208 7.771 1.00 65.42 H new ATOM 0 HB3 ASP A 225 -7.215 -13.789 6.741 1.00 65.42 H new ATOM 846 N LEU A 226 -8.655 -11.675 5.065 1.00 65.13 N ATOM 847 CA LEU A 226 -9.551 -11.560 3.920 1.00 13.44 C ATOM 848 C LEU A 226 -9.076 -10.413 3.019 1.00 72.23 C ATOM 849 O LEU A 226 -8.947 -10.581 1.804 1.00 44.25 O ATOM 850 CB LEU A 226 -11.002 -11.280 4.363 1.00 21.33 C ATOM 851 CG LEU A 226 -11.732 -12.425 5.090 1.00 42.04 C ATOM 852 CD1 LEU A 226 -13.069 -11.909 5.636 1.00 2.14 C ATOM 853 CD2 LEU A 226 -11.997 -13.612 4.158 1.00 31.03 C ATOM 0 H LEU A 226 -9.124 -11.581 5.966 1.00 65.13 H new ATOM 0 HA LEU A 226 -9.533 -12.507 3.380 1.00 13.44 H new ATOM 0 HB2 LEU A 226 -10.997 -10.409 5.018 1.00 21.33 H new ATOM 0 HB3 LEU A 226 -11.582 -11.012 3.480 1.00 21.33 H new ATOM 0 HG LEU A 226 -11.091 -12.767 5.903 1.00 42.04 H new ATOM 0 HD11 LEU A 226 -13.588 -12.717 6.151 1.00 2.14 H new ATOM 0 HD12 LEU A 226 -12.886 -11.092 6.334 1.00 2.14 H new ATOM 0 HD13 LEU A 226 -13.685 -11.550 4.811 1.00 2.14 H new ATOM 0 HD21 LEU A 226 -12.513 -14.399 4.708 1.00 31.03 H new ATOM 0 HD22 LEU A 226 -12.617 -13.287 3.322 1.00 31.03 H new ATOM 0 HD23 LEU A 226 -11.050 -13.996 3.779 1.00 31.03 H new ATOM 865 N ALA A 227 -8.797 -9.251 3.625 1.00 33.13 N ATOM 866 CA ALA A 227 -8.333 -8.059 2.927 1.00 31.51 C ATOM 867 C ALA A 227 -6.962 -8.315 2.297 1.00 61.32 C ATOM 868 O ALA A 227 -6.711 -7.888 1.172 1.00 1.22 O ATOM 869 CB ALA A 227 -8.264 -6.869 3.892 1.00 20.11 C ATOM 0 H ALA A 227 -8.891 -9.118 4.632 1.00 33.13 H new ATOM 0 HA ALA A 227 -9.042 -7.821 2.134 1.00 31.51 H new ATOM 0 HB1 ALA A 227 -7.916 -5.986 3.356 1.00 20.11 H new ATOM 0 HB2 ALA A 227 -9.255 -6.677 4.304 1.00 20.11 H new ATOM 0 HB3 ALA A 227 -7.572 -7.098 4.703 1.00 20.11 H new ATOM 875 N GLN A 228 -6.075 -9.046 2.976 1.00 2.11 N ATOM 876 CA GLN A 228 -4.759 -9.366 2.459 1.00 62.54 C ATOM 877 C GLN A 228 -4.853 -10.177 1.162 1.00 60.13 C ATOM 878 O GLN A 228 -4.109 -9.901 0.218 1.00 43.54 O ATOM 879 CB GLN A 228 -3.954 -10.095 3.542 1.00 74.33 C ATOM 880 CG GLN A 228 -2.470 -10.051 3.179 1.00 13.33 C ATOM 881 CD GLN A 228 -1.585 -10.499 4.334 1.00 64.54 C ATOM 882 OE1 GLN A 228 -1.113 -11.635 4.363 1.00 5.12 O ATOM 883 NE2 GLN A 228 -1.352 -9.653 5.321 1.00 5.01 N ATOM 0 H GLN A 228 -6.258 -9.430 3.903 1.00 2.11 H new ATOM 0 HA GLN A 228 -4.236 -8.444 2.204 1.00 62.54 H new ATOM 0 HB2 GLN A 228 -4.118 -9.625 4.512 1.00 74.33 H new ATOM 0 HB3 GLN A 228 -4.289 -11.129 3.628 1.00 74.33 H new ATOM 0 HG2 GLN A 228 -2.289 -10.691 2.315 1.00 13.33 H new ATOM 0 HG3 GLN A 228 -2.198 -9.037 2.887 1.00 13.33 H new ATOM 0 HE21 GLN A 228 -1.746 -8.713 5.291 1.00 5.01 H new ATOM 0 HE22 GLN A 228 -0.778 -9.940 6.114 1.00 5.01 H new ATOM 892 N LYS A 229 -5.757 -11.167 1.090 1.00 14.24 N ATOM 893 CA LYS A 229 -6.030 -11.868 -0.167 1.00 61.11 C ATOM 894 C LYS A 229 -6.583 -10.903 -1.208 1.00 50.14 C ATOM 895 O LYS A 229 -6.083 -10.898 -2.330 1.00 20.33 O ATOM 896 CB LYS A 229 -6.988 -13.059 0.020 1.00 43.15 C ATOM 897 CG LYS A 229 -6.264 -14.412 0.131 1.00 65.30 C ATOM 898 CD LYS A 229 -7.116 -15.550 -0.455 1.00 2.11 C ATOM 899 CE LYS A 229 -6.354 -16.876 -0.545 1.00 22.04 C ATOM 900 NZ LYS A 229 -6.024 -17.452 0.773 1.00 4.21 N1+ ATOM 0 H LYS A 229 -6.306 -11.496 1.884 1.00 14.24 H new ATOM 0 HA LYS A 229 -5.080 -12.271 -0.519 1.00 61.11 H new ATOM 0 HB2 LYS A 229 -7.584 -12.899 0.919 1.00 43.15 H new ATOM 0 HB3 LYS A 229 -7.681 -13.094 -0.820 1.00 43.15 H new ATOM 0 HG2 LYS A 229 -5.310 -14.361 -0.394 1.00 65.30 H new ATOM 0 HG3 LYS A 229 -6.041 -14.623 1.177 1.00 65.30 H new ATOM 0 HD2 LYS A 229 -8.004 -15.688 0.162 1.00 2.11 H new ATOM 0 HD3 LYS A 229 -7.460 -15.265 -1.449 1.00 2.11 H new ATOM 0 HE2 LYS A 229 -6.952 -17.593 -1.107 1.00 22.04 H new ATOM 0 HE3 LYS A 229 -5.433 -16.720 -1.106 1.00 22.04 H new ATOM 0 HZ1 LYS A 229 -5.510 -18.347 0.642 1.00 4.21 H new ATOM 0 HZ2 LYS A 229 -5.429 -16.785 1.304 1.00 4.21 H new ATOM 0 HZ3 LYS A 229 -6.901 -17.631 1.303 1.00 4.21 H new ATOM 914 N TRP A 230 -7.571 -10.076 -0.857 1.00 13.20 N ATOM 915 CA TRP A 230 -8.183 -9.115 -1.772 1.00 72.33 C ATOM 916 C TRP A 230 -7.133 -8.200 -2.400 1.00 31.00 C ATOM 917 O TRP A 230 -7.249 -7.874 -3.581 1.00 23.12 O ATOM 918 CB TRP A 230 -9.261 -8.306 -1.040 1.00 34.15 C ATOM 919 CG TRP A 230 -9.662 -7.012 -1.678 1.00 61.20 C ATOM 920 CD1 TRP A 230 -10.558 -6.870 -2.677 1.00 14.12 C ATOM 921 CD2 TRP A 230 -9.194 -5.664 -1.361 1.00 53.24 C ATOM 922 NE1 TRP A 230 -10.689 -5.533 -2.979 1.00 24.03 N ATOM 923 CE2 TRP A 230 -9.876 -4.739 -2.200 1.00 13.24 C ATOM 924 CE3 TRP A 230 -8.273 -5.130 -0.438 1.00 35.03 C ATOM 925 CZ2 TRP A 230 -9.650 -3.358 -2.134 1.00 2.33 C ATOM 926 CZ3 TRP A 230 -8.055 -3.741 -0.343 1.00 33.44 C ATOM 927 CH2 TRP A 230 -8.747 -2.853 -1.184 1.00 4.35 C ATOM 0 H TRP A 230 -7.971 -10.056 0.081 1.00 13.20 H new ATOM 0 HA TRP A 230 -8.656 -9.665 -2.585 1.00 72.33 H new ATOM 0 HB2 TRP A 230 -10.150 -8.929 -0.941 1.00 34.15 H new ATOM 0 HB3 TRP A 230 -8.906 -8.095 -0.031 1.00 34.15 H new ATOM 0 HD1 TRP A 230 -11.088 -7.676 -3.162 1.00 14.12 H new ATOM 0 HE1 TRP A 230 -11.316 -5.172 -3.697 1.00 24.03 H new ATOM 0 HE3 TRP A 230 -7.724 -5.798 0.209 1.00 35.03 H new ATOM 0 HZ2 TRP A 230 -10.165 -2.688 -2.807 1.00 2.33 H new ATOM 0 HZ3 TRP A 230 -7.352 -3.357 0.381 1.00 33.44 H new ATOM 0 HH2 TRP A 230 -8.585 -1.788 -1.100 1.00 4.35 H new ATOM 938 N HIS A 231 -6.090 -7.826 -1.657 1.00 41.52 N ATOM 939 CA HIS A 231 -4.987 -6.999 -2.135 1.00 44.11 C ATOM 940 C HIS A 231 -4.288 -7.592 -3.370 1.00 62.42 C ATOM 941 O HIS A 231 -3.631 -6.851 -4.102 1.00 2.10 O ATOM 942 CB HIS A 231 -3.977 -6.800 -0.987 1.00 73.30 C ATOM 943 CG HIS A 231 -3.662 -5.355 -0.719 1.00 1.23 C ATOM 944 ND1 HIS A 231 -2.515 -4.685 -1.075 1.00 54.43 N ATOM 945 CD2 HIS A 231 -4.467 -4.475 -0.054 1.00 54.44 C ATOM 946 CE1 HIS A 231 -2.617 -3.423 -0.631 1.00 44.02 C ATOM 947 NE2 HIS A 231 -3.801 -3.246 -0.018 1.00 72.12 N ATOM 0 H HIS A 231 -5.989 -8.099 -0.679 1.00 41.52 H new ATOM 0 HA HIS A 231 -5.399 -6.040 -2.449 1.00 44.11 H new ATOM 0 HB2 HIS A 231 -4.375 -7.253 -0.079 1.00 73.30 H new ATOM 0 HB3 HIS A 231 -3.054 -7.328 -1.228 1.00 73.30 H new ATOM 0 HD2 HIS A 231 -5.439 -4.689 0.366 1.00 54.44 H new ATOM 0 HE1 HIS A 231 -1.860 -2.662 -0.748 1.00 44.02 H new ATOM 0 HE2 HIS A 231 -4.147 -2.380 0.395 1.00 72.12 H new ATOM 955 N LEU A 232 -4.418 -8.903 -3.611 1.00 43.21 N ATOM 956 CA LEU A 232 -3.872 -9.589 -4.785 1.00 54.14 C ATOM 957 C LEU A 232 -4.836 -9.532 -5.973 1.00 63.01 C ATOM 958 O LEU A 232 -4.383 -9.476 -7.114 1.00 33.14 O ATOM 959 CB LEU A 232 -3.554 -11.036 -4.384 1.00 63.34 C ATOM 960 CG LEU A 232 -2.784 -11.868 -5.429 1.00 62.14 C ATOM 961 CD1 LEU A 232 -1.893 -12.884 -4.708 1.00 23.25 C ATOM 962 CD2 LEU A 232 -3.705 -12.657 -6.370 1.00 64.32 C ATOM 0 H LEU A 232 -4.918 -9.529 -2.979 1.00 43.21 H new ATOM 0 HA LEU A 232 -2.961 -9.088 -5.113 1.00 54.14 H new ATOM 0 HB2 LEU A 232 -2.973 -11.018 -3.462 1.00 63.34 H new ATOM 0 HB3 LEU A 232 -4.491 -11.546 -4.161 1.00 63.34 H new ATOM 0 HG LEU A 232 -2.209 -11.159 -6.024 1.00 62.14 H new ATOM 0 HD11 LEU A 232 -1.346 -13.475 -5.443 1.00 23.25 H new ATOM 0 HD12 LEU A 232 -1.186 -12.357 -4.067 1.00 23.25 H new ATOM 0 HD13 LEU A 232 -2.512 -13.544 -4.100 1.00 23.25 H new ATOM 0 HD21 LEU A 232 -3.102 -13.221 -7.081 1.00 64.32 H new ATOM 0 HD22 LEU A 232 -4.317 -13.345 -5.787 1.00 64.32 H new ATOM 0 HD23 LEU A 232 -4.351 -11.966 -6.911 1.00 64.32 H new ATOM 974 N ILE A 233 -6.148 -9.515 -5.706 1.00 20.31 N ATOM 975 CA ILE A 233 -7.248 -9.521 -6.683 1.00 12.23 C ATOM 976 C ILE A 233 -7.381 -8.145 -7.376 1.00 33.40 C ATOM 977 O ILE A 233 -8.214 -7.958 -8.265 1.00 73.01 O ATOM 978 CB ILE A 233 -8.570 -9.989 -5.990 1.00 31.24 C ATOM 979 CG1 ILE A 233 -8.340 -11.257 -5.124 1.00 41.21 C ATOM 980 CG2 ILE A 233 -9.704 -10.275 -7.001 1.00 11.11 C ATOM 981 CD1 ILE A 233 -9.564 -11.784 -4.364 1.00 1.50 C ATOM 0 H ILE A 233 -6.492 -9.496 -4.746 1.00 20.31 H new ATOM 0 HA ILE A 233 -7.027 -10.236 -7.475 1.00 12.23 H new ATOM 0 HB ILE A 233 -8.877 -9.159 -5.353 1.00 31.24 H new ATOM 0 HG12 ILE A 233 -7.969 -12.052 -5.771 1.00 41.21 H new ATOM 0 HG13 ILE A 233 -7.553 -11.041 -4.401 1.00 41.21 H new ATOM 0 HG21 ILE A 233 -10.597 -10.596 -6.465 1.00 11.11 H new ATOM 0 HG22 ILE A 233 -9.926 -9.369 -7.565 1.00 11.11 H new ATOM 0 HG23 ILE A 233 -9.390 -11.062 -7.687 1.00 11.11 H new ATOM 0 HD11 ILE A 233 -9.285 -12.670 -3.795 1.00 1.50 H new ATOM 0 HD12 ILE A 233 -9.928 -11.015 -3.683 1.00 1.50 H new ATOM 0 HD13 ILE A 233 -10.350 -12.042 -5.074 1.00 1.50 H new ATOM 993 N LYS A 234 -6.565 -7.153 -7.000 1.00 35.12 N ATOM 994 CA LYS A 234 -6.469 -5.905 -7.749 1.00 65.43 C ATOM 995 C LYS A 234 -6.083 -6.217 -9.198 1.00 71.04 C ATOM 996 O LYS A 234 -5.362 -7.180 -9.440 1.00 11.24 O ATOM 997 CB LYS A 234 -5.479 -4.948 -7.073 1.00 41.01 C ATOM 998 CG LYS A 234 -4.021 -5.434 -7.090 1.00 40.11 C ATOM 999 CD LYS A 234 -3.122 -4.422 -6.370 1.00 52.01 C ATOM 1000 CE LYS A 234 -2.746 -3.248 -7.286 1.00 24.13 C ATOM 1001 NZ LYS A 234 -1.640 -3.581 -8.199 1.00 64.53 N1+ ATOM 0 H LYS A 234 -5.962 -7.196 -6.178 1.00 35.12 H new ATOM 0 HA LYS A 234 -7.435 -5.399 -7.758 1.00 65.43 H new ATOM 0 HB2 LYS A 234 -5.533 -3.978 -7.568 1.00 41.01 H new ATOM 0 HB3 LYS A 234 -5.787 -4.795 -6.039 1.00 41.01 H new ATOM 0 HG2 LYS A 234 -3.948 -6.407 -6.605 1.00 40.11 H new ATOM 0 HG3 LYS A 234 -3.685 -5.564 -8.119 1.00 40.11 H new ATOM 0 HD2 LYS A 234 -3.634 -4.044 -5.485 1.00 52.01 H new ATOM 0 HD3 LYS A 234 -2.216 -4.920 -6.025 1.00 52.01 H new ATOM 0 HE2 LYS A 234 -3.618 -2.952 -7.869 1.00 24.13 H new ATOM 0 HE3 LYS A 234 -2.464 -2.390 -6.676 1.00 24.13 H new ATOM 0 HZ1 LYS A 234 -1.423 -2.758 -8.796 1.00 64.53 H new ATOM 0 HZ2 LYS A 234 -0.798 -3.838 -7.645 1.00 64.53 H new ATOM 0 HZ3 LYS A 234 -1.916 -4.382 -8.801 1.00 64.53 H new ATOM 1015 N GLN A 235 -6.507 -5.360 -10.131 1.00 72.02 N ATOM 1016 CA GLN A 235 -6.210 -5.466 -11.554 1.00 11.35 C ATOM 1017 C GLN A 235 -6.527 -6.873 -12.082 1.00 33.24 C ATOM 1018 O GLN A 235 -5.640 -7.618 -12.495 1.00 30.21 O ATOM 1019 CB GLN A 235 -4.762 -5.019 -11.785 1.00 22.32 C ATOM 1020 CG GLN A 235 -4.388 -4.742 -13.249 1.00 50.13 C ATOM 1021 CD GLN A 235 -2.879 -4.473 -13.379 1.00 24.00 C ATOM 1022 OE1 GLN A 235 -2.157 -4.402 -12.383 1.00 23.03 O ATOM 1023 NE2 GLN A 235 -2.350 -4.317 -14.580 1.00 43.20 N ATOM 0 H GLN A 235 -7.084 -4.550 -9.905 1.00 72.02 H new ATOM 0 HA GLN A 235 -6.852 -4.803 -12.133 1.00 11.35 H new ATOM 0 HB2 GLN A 235 -4.581 -4.115 -11.203 1.00 22.32 H new ATOM 0 HB3 GLN A 235 -4.095 -5.788 -11.396 1.00 22.32 H new ATOM 0 HG2 GLN A 235 -4.666 -5.594 -13.869 1.00 50.13 H new ATOM 0 HG3 GLN A 235 -4.949 -3.883 -13.618 1.00 50.13 H new ATOM 0 HE21 GLN A 235 -2.941 -4.374 -15.409 1.00 43.20 H new ATOM 0 HE22 GLN A 235 -1.350 -4.139 -14.678 1.00 43.20 H new ATOM 1032 N HIS A 236 -7.810 -7.240 -12.070 1.00 22.23 N ATOM 1033 CA HIS A 236 -8.229 -8.530 -12.596 1.00 73.33 C ATOM 1034 C HIS A 236 -7.976 -8.560 -14.103 1.00 63.54 C ATOM 1035 O HIS A 236 -8.599 -7.808 -14.853 1.00 34.42 O ATOM 1036 CB HIS A 236 -9.688 -8.814 -12.246 1.00 2.44 C ATOM 1037 CG HIS A 236 -10.094 -10.218 -12.604 1.00 4.45 C ATOM 1038 ND1 HIS A 236 -11.027 -10.607 -13.541 1.00 31.54 N ATOM 1039 CD2 HIS A 236 -9.600 -11.346 -12.011 1.00 72.22 C ATOM 1040 CE1 HIS A 236 -11.116 -11.946 -13.493 1.00 31.30 C ATOM 1041 NE2 HIS A 236 -10.273 -12.443 -12.563 1.00 63.23 N ATOM 0 H HIS A 236 -8.568 -6.664 -11.704 1.00 22.23 H new ATOM 0 HA HIS A 236 -7.643 -9.325 -12.135 1.00 73.33 H new ATOM 0 HB2 HIS A 236 -9.842 -8.654 -11.179 1.00 2.44 H new ATOM 0 HB3 HIS A 236 -10.330 -8.107 -12.771 1.00 2.44 H new ATOM 0 HD2 HIS A 236 -8.830 -11.384 -11.254 1.00 72.22 H new ATOM 0 HE1 HIS A 236 -11.770 -12.542 -14.112 1.00 31.30 H new ATOM 0 HE2 HIS A 236 -10.150 -13.424 -12.312 1.00 63.23 H new ATOM 1049 N THR A 237 -7.030 -9.397 -14.524 1.00 74.12 N ATOM 1050 CA THR A 237 -6.507 -9.456 -15.872 1.00 64.12 C ATOM 1051 C THR A 237 -7.615 -9.817 -16.866 1.00 22.14 C ATOM 1052 O THR A 237 -8.283 -10.849 -16.737 1.00 63.42 O ATOM 1053 CB THR A 237 -5.336 -10.449 -15.903 1.00 1.11 C ATOM 1054 OG1 THR A 237 -5.672 -11.667 -15.276 1.00 61.40 O ATOM 1055 CG2 THR A 237 -4.107 -9.905 -15.172 1.00 50.03 C ATOM 0 H THR A 237 -6.594 -10.078 -13.903 1.00 74.12 H new ATOM 0 HA THR A 237 -6.133 -8.479 -16.177 1.00 64.12 H new ATOM 0 HB THR A 237 -5.115 -10.604 -16.959 1.00 1.11 H new ATOM 0 HG1 THR A 237 -6.599 -11.900 -15.490 1.00 61.40 H new ATOM 0 HG21 THR A 237 -3.302 -10.639 -15.218 1.00 50.03 H new ATOM 0 HG22 THR A 237 -3.782 -8.979 -15.646 1.00 50.03 H new ATOM 0 HG23 THR A 237 -4.360 -9.709 -14.130 1.00 50.03 H new ATOM 1063 N ALA A 238 -7.806 -8.956 -17.866 1.00 64.25 N ATOM 1064 CA ALA A 238 -8.846 -9.054 -18.876 1.00 34.41 C ATOM 1065 C ALA A 238 -8.194 -8.934 -20.261 1.00 70.53 C ATOM 1066 O ALA A 238 -8.079 -7.809 -20.764 1.00 41.40 O ATOM 1067 CB ALA A 238 -9.907 -7.980 -18.606 1.00 14.52 C ATOM 0 H ALA A 238 -7.211 -8.138 -17.995 1.00 64.25 H new ATOM 0 HA ALA A 238 -9.356 -10.016 -18.841 1.00 34.41 H new ATOM 0 HB1 ALA A 238 -10.692 -8.046 -19.360 1.00 14.52 H new ATOM 0 HB2 ALA A 238 -10.339 -8.136 -17.617 1.00 14.52 H new ATOM 0 HB3 ALA A 238 -9.445 -6.994 -18.649 1.00 14.52 H new ATOM 1073 N PRO A 239 -7.689 -10.033 -20.853 1.00 61.40 N ATOM 1074 CA PRO A 239 -7.164 -10.047 -22.217 1.00 14.44 C ATOM 1075 C PRO A 239 -8.327 -9.974 -23.207 1.00 74.14 C ATOM 1076 O PRO A 239 -9.196 -10.840 -23.162 1.00 42.52 O ATOM 1077 CB PRO A 239 -6.425 -11.384 -22.356 1.00 51.21 C ATOM 1078 CG PRO A 239 -7.164 -12.310 -21.389 1.00 20.31 C ATOM 1079 CD PRO A 239 -7.614 -11.370 -20.269 1.00 1.53 C ATOM 0 HA PRO A 239 -6.503 -9.204 -22.419 1.00 14.44 H new ATOM 0 HB2 PRO A 239 -6.465 -11.759 -23.379 1.00 51.21 H new ATOM 0 HB3 PRO A 239 -5.372 -11.288 -22.093 1.00 51.21 H new ATOM 0 HG2 PRO A 239 -8.012 -12.797 -21.869 1.00 20.31 H new ATOM 0 HG3 PRO A 239 -6.514 -13.100 -21.013 1.00 20.31 H new ATOM 0 HD2 PRO A 239 -8.583 -11.675 -19.873 1.00 1.53 H new ATOM 0 HD3 PRO A 239 -6.909 -11.391 -19.438 1.00 1.53 H new ATOM 1087 N VAL A 240 -8.352 -8.978 -24.095 1.00 55.30 N ATOM 1088 CA VAL A 240 -9.310 -8.794 -25.195 1.00 73.31 C ATOM 1089 C VAL A 240 -10.797 -8.972 -24.806 1.00 73.24 C ATOM 1090 O VAL A 240 -11.638 -9.236 -25.671 1.00 4.41 O ATOM 1091 CB VAL A 240 -8.868 -9.621 -26.431 1.00 1.54 C ATOM 1092 CG1 VAL A 240 -7.454 -9.223 -26.891 1.00 2.11 C ATOM 1093 CG2 VAL A 240 -8.922 -11.147 -26.247 1.00 62.34 C ATOM 0 H VAL A 240 -7.661 -8.229 -24.066 1.00 55.30 H new ATOM 0 HA VAL A 240 -9.277 -7.740 -25.472 1.00 73.31 H new ATOM 0 HB VAL A 240 -9.607 -9.373 -27.193 1.00 1.54 H new ATOM 0 HG11 VAL A 240 -7.172 -9.820 -27.759 1.00 2.11 H new ATOM 0 HG12 VAL A 240 -7.442 -8.166 -27.158 1.00 2.11 H new ATOM 0 HG13 VAL A 240 -6.745 -9.401 -26.083 1.00 2.11 H new ATOM 0 HG21 VAL A 240 -8.595 -11.636 -27.165 1.00 62.34 H new ATOM 0 HG22 VAL A 240 -8.266 -11.438 -25.427 1.00 62.34 H new ATOM 0 HG23 VAL A 240 -9.944 -11.450 -26.019 1.00 62.34 H new ATOM 1103 N SER A 241 -11.135 -8.834 -23.520 1.00 23.54 N ATOM 1104 CA SER A 241 -12.402 -9.249 -22.927 1.00 33.20 C ATOM 1105 C SER A 241 -12.899 -8.159 -21.961 1.00 22.33 C ATOM 1106 O SER A 241 -12.752 -8.302 -20.741 1.00 4.10 O ATOM 1107 CB SER A 241 -12.214 -10.598 -22.216 1.00 73.01 C ATOM 1108 OG SER A 241 -11.670 -11.594 -23.063 1.00 42.03 O ATOM 0 H SER A 241 -10.504 -8.412 -22.839 1.00 23.54 H new ATOM 0 HA SER A 241 -13.158 -9.379 -23.701 1.00 33.20 H new ATOM 0 HB2 SER A 241 -11.559 -10.462 -21.356 1.00 73.01 H new ATOM 0 HB3 SER A 241 -13.176 -10.939 -21.833 1.00 73.01 H new ATOM 0 HG SER A 241 -10.705 -11.663 -22.909 1.00 42.03 H new ATOM 1114 N PRO A 242 -13.456 -7.050 -22.477 1.00 54.33 N ATOM 1115 CA PRO A 242 -14.119 -6.039 -21.666 1.00 33.53 C ATOM 1116 C PRO A 242 -15.389 -6.596 -21.014 1.00 62.22 C ATOM 1117 O PRO A 242 -15.816 -7.720 -21.287 1.00 3.45 O ATOM 1118 CB PRO A 242 -14.432 -4.880 -22.622 1.00 40.15 C ATOM 1119 CG PRO A 242 -14.537 -5.556 -23.986 1.00 23.42 C ATOM 1120 CD PRO A 242 -13.558 -6.721 -23.890 1.00 33.01 C ATOM 0 HA PRO A 242 -13.488 -5.708 -20.841 1.00 33.53 H new ATOM 0 HB2 PRO A 242 -15.361 -4.377 -22.352 1.00 40.15 H new ATOM 0 HB3 PRO A 242 -13.645 -4.126 -22.608 1.00 40.15 H new ATOM 0 HG2 PRO A 242 -15.552 -5.901 -24.184 1.00 23.42 H new ATOM 0 HG3 PRO A 242 -14.269 -4.874 -24.793 1.00 23.42 H new ATOM 0 HD2 PRO A 242 -13.914 -7.577 -24.464 1.00 33.01 H new ATOM 0 HD3 PRO A 242 -12.585 -6.446 -24.297 1.00 33.01 H new ATOM 1128 N HIS A 243 -16.039 -5.757 -20.210 1.00 45.13 N ATOM 1129 CA HIS A 243 -17.299 -6.046 -19.540 1.00 20.32 C ATOM 1130 C HIS A 243 -17.234 -7.321 -18.687 1.00 25.15 C ATOM 1131 O HIS A 243 -18.196 -8.094 -18.625 1.00 54.22 O ATOM 1132 CB HIS A 243 -18.471 -5.976 -20.537 1.00 51.05 C ATOM 1133 CG HIS A 243 -19.793 -5.706 -19.864 1.00 23.30 C ATOM 1134 ND1 HIS A 243 -20.824 -6.606 -19.682 1.00 43.14 N ATOM 1135 CD2 HIS A 243 -20.117 -4.552 -19.202 1.00 22.02 C ATOM 1136 CE1 HIS A 243 -21.739 -6.010 -18.898 1.00 63.04 C ATOM 1137 NE2 HIS A 243 -21.340 -4.771 -18.560 1.00 1.40 N ATOM 0 H HIS A 243 -15.687 -4.823 -20.001 1.00 45.13 H new ATOM 0 HA HIS A 243 -17.494 -5.265 -18.805 1.00 20.32 H new ATOM 0 HB2 HIS A 243 -18.274 -5.192 -21.269 1.00 51.05 H new ATOM 0 HB3 HIS A 243 -18.533 -6.916 -21.085 1.00 51.05 H new ATOM 0 HD2 HIS A 243 -19.536 -3.642 -19.180 1.00 22.02 H new ATOM 0 HE1 HIS A 243 -22.667 -6.464 -18.583 1.00 63.04 H new ATOM 0 HE2 HIS A 243 -21.834 -4.117 -17.953 1.00 1.40 H new ATOM 1145 N SER A 244 -16.130 -7.490 -17.961 1.00 53.22 N ATOM 1146 CA SER A 244 -15.973 -8.403 -16.846 1.00 22.22 C ATOM 1147 C SER A 244 -15.062 -7.644 -15.897 1.00 53.24 C ATOM 1148 O SER A 244 -15.592 -6.793 -15.148 1.00 34.02 O ATOM 1149 CB SER A 244 -15.449 -9.738 -17.384 1.00 24.31 C ATOM 1150 OG SER A 244 -15.184 -10.694 -16.375 1.00 51.22 O ATOM 0 H SER A 244 -15.279 -6.961 -18.151 1.00 53.22 H new ATOM 0 HA SER A 244 -16.878 -8.683 -16.308 1.00 22.22 H new ATOM 0 HB2 SER A 244 -16.179 -10.151 -18.080 1.00 24.31 H new ATOM 0 HB3 SER A 244 -14.535 -9.558 -17.950 1.00 24.31 H new ATOM 0 HG SER A 244 -14.855 -11.521 -16.786 1.00 51.22 H new TER 1156 SER A 244