USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=22 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 : no HD1:sc= 0.877 K(o=2.1,f=-5.4!) USER MOD Set 1.2: A 211 SER OG : rot 85:sc= 1.24 USER MOD Single : A 176 SER OG : rot 180:sc= 0 USER MOD Single : A 179 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.47) USER MOD Single : A 182 GLN : amide:sc= 0.877 K(o=0.88,f=0) USER MOD Single : A 184 THR OG1 : rot -27:sc= 0.18 USER MOD Single : A 188 CYS SG : rot 14:sc= 0.207 USER MOD Single : A 191 MET CE :methyl 174:sc= 0 (180deg=-0.0146) 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 180:sc= 0 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+ -173:sc= 1.24 (180deg=1.01) USER MOD Single : A 203 SER OG : rot 153:sc= 1.05 USER MOD Single : A 204 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 205 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00938) USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= -0.0236 (180deg=-0.0236) USER MOD Single : A 214 MET CE :methyl -166:sc= -0.443 (180deg=-0.76) USER MOD Single : A 217 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0041) USER MOD Single : A 218 CYS SG : rot -54:sc= 0.512 USER MOD Single : A 224 SER OG : rot 44:sc= 0.312 USER MOD Single : A 228 GLN : amide:sc= -0.0759 K(o=-0.076,f=-0.69) USER MOD Single : A 229 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.19) USER MOD Single : A 231 HIS : no HE2:sc= -0.016 K(o=-0.016,f=-0.6) USER MOD Single : A 234 LYS NZ :NH3+ -169:sc= 2.81 (180deg=2.54) USER MOD Single : A 235 GLN : amide:sc= -0.359 K(o=-0.36,f=-4.5!) USER MOD Single : A 236 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 237 THR OG1 : rot -96:sc= 0.854 USER MOD Single : A 241 SER OG : rot 180:sc= 0 USER MOD Single : A 243 HIS : no HD1:sc= -0.0385 X(o=-0.039,f=0) USER MOD Single : A 244 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 13.820 -62.087 -32.772 1.00 44.44 N ATOM 2 CA ARG A 175 12.826 -61.016 -32.866 1.00 25.31 C ATOM 3 C ARG A 175 13.293 -59.871 -31.968 1.00 23.33 C ATOM 4 O ARG A 175 14.219 -60.079 -31.182 1.00 72.25 O ATOM 5 CB ARG A 175 11.408 -61.517 -32.512 1.00 63.20 C ATOM 6 CG ARG A 175 11.238 -62.078 -31.088 1.00 35.43 C ATOM 7 CD ARG A 175 9.785 -62.531 -30.867 1.00 51.31 C ATOM 8 NE ARG A 175 9.590 -63.166 -29.547 1.00 63.41 N ATOM 9 CZ ARG A 175 8.466 -63.766 -29.122 1.00 22.04 C ATOM 10 NH1 ARG A 175 7.381 -63.802 -29.895 1.00 63.22 N1+ ATOM 11 NH2 ARG A 175 8.434 -64.334 -27.918 1.00 52.51 N ATOM 0 HA ARG A 175 12.748 -60.659 -33.893 1.00 25.31 H new ATOM 0 HB2 ARG A 175 10.707 -60.693 -32.645 1.00 63.20 H new ATOM 0 HB3 ARG A 175 11.127 -62.292 -33.225 1.00 63.20 H new ATOM 0 HG2 ARG A 175 11.916 -62.918 -30.937 1.00 35.43 H new ATOM 0 HG3 ARG A 175 11.505 -61.317 -30.355 1.00 35.43 H new ATOM 0 HD2 ARG A 175 9.121 -61.671 -30.956 1.00 51.31 H new ATOM 0 HD3 ARG A 175 9.503 -63.234 -31.651 1.00 51.31 H new ATOM 0 HE ARG A 175 10.379 -63.147 -28.901 1.00 63.41 H new ATOM 0 HH11 ARG A 175 7.399 -63.371 -30.819 1.00 63.22 H new ATOM 0 HH12 ARG A 175 6.533 -64.260 -29.562 1.00 63.22 H new ATOM 0 HH21 ARG A 175 9.261 -64.312 -27.322 1.00 52.51 H new ATOM 0 HH22 ARG A 175 7.582 -64.791 -27.592 1.00 52.51 H new ATOM 25 N SER A 176 12.663 -58.708 -32.061 1.00 54.30 N ATOM 26 CA SER A 176 13.020 -57.495 -31.338 1.00 40.15 C ATOM 27 C SER A 176 11.732 -56.810 -30.858 1.00 12.11 C ATOM 28 O SER A 176 10.632 -57.286 -31.150 1.00 40.04 O ATOM 29 CB SER A 176 13.879 -56.610 -32.259 1.00 24.33 C ATOM 30 OG SER A 176 13.353 -56.577 -33.576 1.00 71.11 O ATOM 0 H SER A 176 11.854 -58.579 -32.669 1.00 54.30 H new ATOM 0 HA SER A 176 13.616 -57.708 -30.451 1.00 40.15 H new ATOM 0 HB2 SER A 176 13.923 -55.598 -31.857 1.00 24.33 H new ATOM 0 HB3 SER A 176 14.901 -56.989 -32.282 1.00 24.33 H new ATOM 0 HG SER A 176 13.917 -56.007 -34.139 1.00 71.11 H new ATOM 36 N LEU A 177 11.858 -55.731 -30.080 1.00 42.40 N ATOM 37 CA LEU A 177 10.759 -54.927 -29.552 1.00 14.14 C ATOM 38 C LEU A 177 11.314 -53.576 -29.077 1.00 25.25 C ATOM 39 O LEU A 177 12.529 -53.387 -29.062 1.00 72.32 O ATOM 40 CB LEU A 177 10.011 -55.656 -28.409 1.00 62.05 C ATOM 41 CG LEU A 177 10.766 -55.843 -27.069 1.00 74.24 C ATOM 42 CD1 LEU A 177 9.763 -56.254 -25.985 1.00 32.31 C ATOM 43 CD2 LEU A 177 11.865 -56.913 -27.141 1.00 21.13 C ATOM 0 H LEU A 177 12.771 -55.381 -29.790 1.00 42.40 H new ATOM 0 HA LEU A 177 10.030 -54.763 -30.345 1.00 14.14 H new ATOM 0 HB2 LEU A 177 9.092 -55.107 -28.204 1.00 62.05 H new ATOM 0 HB3 LEU A 177 9.720 -56.642 -28.772 1.00 62.05 H new ATOM 0 HG LEU A 177 11.246 -54.892 -26.838 1.00 74.24 H new ATOM 0 HD11 LEU A 177 10.285 -56.388 -25.038 1.00 32.31 H new ATOM 0 HD12 LEU A 177 9.007 -55.477 -25.875 1.00 32.31 H new ATOM 0 HD13 LEU A 177 9.283 -57.190 -26.270 1.00 32.31 H new ATOM 0 HD21 LEU A 177 12.356 -56.996 -26.171 1.00 21.13 H new ATOM 0 HD22 LEU A 177 11.422 -57.873 -27.406 1.00 21.13 H new ATOM 0 HD23 LEU A 177 12.599 -56.631 -27.896 1.00 21.13 H new ATOM 55 N ARG A 178 10.419 -52.686 -28.633 1.00 24.30 N ATOM 56 CA ARG A 178 10.689 -51.435 -27.918 1.00 3.45 C ATOM 57 C ARG A 178 11.819 -50.596 -28.528 1.00 25.42 C ATOM 58 O ARG A 178 12.861 -50.373 -27.906 1.00 34.30 O ATOM 59 CB ARG A 178 10.869 -51.725 -26.417 1.00 73.44 C ATOM 60 CG ARG A 178 10.673 -50.458 -25.567 1.00 23.23 C ATOM 61 CD ARG A 178 11.112 -50.675 -24.116 1.00 61.32 C ATOM 62 NE ARG A 178 10.285 -51.665 -23.409 1.00 43.12 N ATOM 63 CZ ARG A 178 10.545 -52.206 -22.214 1.00 4.41 C ATOM 64 NH1 ARG A 178 11.642 -51.868 -21.543 1.00 33.23 N1+ ATOM 65 NH2 ARG A 178 9.693 -53.084 -21.697 1.00 63.23 N ATOM 0 H ARG A 178 9.419 -52.831 -28.774 1.00 24.30 H new ATOM 0 HA ARG A 178 9.817 -50.791 -28.035 1.00 3.45 H new ATOM 0 HB2 ARG A 178 10.155 -52.487 -26.105 1.00 73.44 H new ATOM 0 HB3 ARG A 178 11.865 -52.131 -26.241 1.00 73.44 H new ATOM 0 HG2 ARG A 178 11.244 -49.637 -26.001 1.00 23.23 H new ATOM 0 HG3 ARG A 178 9.624 -50.164 -25.589 1.00 23.23 H new ATOM 0 HD2 ARG A 178 12.152 -51.001 -24.101 1.00 61.32 H new ATOM 0 HD3 ARG A 178 11.068 -49.725 -23.583 1.00 61.32 H new ATOM 0 HE ARG A 178 9.430 -51.968 -23.876 1.00 43.12 H new ATOM 0 HH11 ARG A 178 12.294 -51.191 -21.939 1.00 33.23 H new ATOM 0 HH12 ARG A 178 11.832 -52.286 -20.632 1.00 33.23 H new ATOM 0 HH21 ARG A 178 8.850 -53.340 -22.211 1.00 63.23 H new ATOM 0 HH22 ARG A 178 9.882 -53.503 -20.786 1.00 63.23 H new ATOM 79 N GLN A 179 11.577 -50.075 -29.731 1.00 24.00 N ATOM 80 CA GLN A 179 12.393 -49.007 -30.300 1.00 3.32 C ATOM 81 C GLN A 179 12.249 -47.773 -29.388 1.00 35.51 C ATOM 82 O GLN A 179 11.155 -47.507 -28.890 1.00 2.32 O ATOM 83 CB GLN A 179 11.900 -48.718 -31.740 1.00 52.52 C ATOM 84 CG GLN A 179 12.972 -48.219 -32.726 1.00 55.30 C ATOM 85 CD GLN A 179 13.683 -46.948 -32.269 1.00 71.53 C ATOM 86 OE1 GLN A 179 13.075 -45.897 -32.090 1.00 14.25 O ATOM 87 NE2 GLN A 179 14.975 -47.042 -31.991 1.00 3.14 N ATOM 0 H GLN A 179 10.813 -50.381 -30.334 1.00 24.00 H new ATOM 0 HA GLN A 179 13.446 -49.284 -30.357 1.00 3.32 H new ATOM 0 HB2 GLN A 179 11.459 -49.630 -32.143 1.00 52.52 H new ATOM 0 HB3 GLN A 179 11.105 -47.974 -31.690 1.00 52.52 H new ATOM 0 HG2 GLN A 179 13.712 -49.006 -32.873 1.00 55.30 H new ATOM 0 HG3 GLN A 179 12.505 -48.036 -33.694 1.00 55.30 H new ATOM 0 HE21 GLN A 179 15.467 -47.922 -32.145 1.00 3.14 H new ATOM 0 HE22 GLN A 179 15.478 -46.234 -31.623 1.00 3.14 H new ATOM 96 N ARG A 180 13.323 -47.004 -29.189 1.00 65.05 N ATOM 97 CA ARG A 180 13.255 -45.588 -28.829 1.00 64.25 C ATOM 98 C ARG A 180 14.522 -44.900 -29.337 1.00 43.03 C ATOM 99 O ARG A 180 15.520 -45.581 -29.593 1.00 61.12 O ATOM 100 CB ARG A 180 13.062 -45.367 -27.316 1.00 54.40 C ATOM 101 CG ARG A 180 14.092 -46.054 -26.407 1.00 40.31 C ATOM 102 CD ARG A 180 13.599 -47.417 -25.899 1.00 25.33 C ATOM 103 NE ARG A 180 14.577 -48.035 -24.988 1.00 63.12 N ATOM 104 CZ ARG A 180 14.822 -47.657 -23.724 1.00 4.44 C ATOM 105 NH1 ARG A 180 14.105 -46.713 -23.127 1.00 33.41 N1+ ATOM 106 NH2 ARG A 180 15.804 -48.234 -23.040 1.00 74.54 N ATOM 0 H ARG A 180 14.277 -47.354 -29.275 1.00 65.05 H new ATOM 0 HA ARG A 180 12.376 -45.149 -29.301 1.00 64.25 H new ATOM 0 HB2 ARG A 180 13.087 -44.295 -27.118 1.00 54.40 H new ATOM 0 HB3 ARG A 180 12.068 -45.719 -27.040 1.00 54.40 H new ATOM 0 HG2 ARG A 180 15.025 -46.188 -26.954 1.00 40.31 H new ATOM 0 HG3 ARG A 180 14.311 -45.409 -25.556 1.00 40.31 H new ATOM 0 HD2 ARG A 180 12.647 -47.292 -25.383 1.00 25.33 H new ATOM 0 HD3 ARG A 180 13.419 -48.079 -26.746 1.00 25.33 H new ATOM 0 HE ARG A 180 15.117 -48.821 -25.350 1.00 63.12 H new ATOM 0 HH11 ARG A 180 13.345 -46.255 -23.630 1.00 33.41 H new ATOM 0 HH12 ARG A 180 14.314 -46.446 -22.165 1.00 33.41 H new ATOM 0 HH21 ARG A 180 16.370 -48.962 -23.476 1.00 74.54 H new ATOM 0 HH22 ARG A 180 15.992 -47.949 -22.079 1.00 74.54 H new ATOM 120 N LEU A 181 14.518 -43.572 -29.444 1.00 42.44 N ATOM 121 CA LEU A 181 15.700 -42.759 -29.713 1.00 73.23 C ATOM 122 C LEU A 181 15.517 -41.404 -29.027 1.00 71.21 C ATOM 123 O LEU A 181 14.379 -40.966 -28.845 1.00 74.14 O ATOM 124 CB LEU A 181 15.869 -42.571 -31.232 1.00 33.22 C ATOM 125 CG LEU A 181 17.307 -42.167 -31.615 1.00 33.35 C ATOM 126 CD1 LEU A 181 18.205 -43.404 -31.739 1.00 5.21 C ATOM 127 CD2 LEU A 181 17.303 -41.380 -32.925 1.00 70.12 C ATOM 0 H LEU A 181 13.668 -43.018 -29.343 1.00 42.44 H new ATOM 0 HA LEU A 181 16.593 -43.250 -29.328 1.00 73.23 H new ATOM 0 HB2 LEU A 181 15.606 -43.498 -31.742 1.00 33.22 H new ATOM 0 HB3 LEU A 181 15.174 -41.807 -31.581 1.00 33.22 H new ATOM 0 HG LEU A 181 17.708 -41.532 -30.825 1.00 33.35 H new ATOM 0 HD11 LEU A 181 19.215 -43.095 -32.010 1.00 5.21 H new ATOM 0 HD12 LEU A 181 18.231 -43.932 -30.786 1.00 5.21 H new ATOM 0 HD13 LEU A 181 17.809 -44.065 -32.510 1.00 5.21 H new ATOM 0 HD21 LEU A 181 18.324 -41.100 -33.185 1.00 70.12 H new ATOM 0 HD22 LEU A 181 16.883 -41.997 -33.719 1.00 70.12 H new ATOM 0 HD23 LEU A 181 16.699 -40.480 -32.807 1.00 70.12 H new ATOM 139 N GLN A 182 16.600 -40.723 -28.665 1.00 62.31 N ATOM 140 CA GLN A 182 16.618 -39.381 -28.091 1.00 40.10 C ATOM 141 C GLN A 182 17.977 -38.746 -28.431 1.00 63.11 C ATOM 142 O GLN A 182 18.710 -39.301 -29.247 1.00 12.30 O ATOM 143 CB GLN A 182 16.320 -39.466 -26.569 1.00 72.53 C ATOM 144 CG GLN A 182 14.922 -38.941 -26.181 1.00 23.40 C ATOM 145 CD GLN A 182 14.080 -39.976 -25.426 1.00 41.05 C ATOM 146 OE1 GLN A 182 13.957 -39.937 -24.205 1.00 54.13 O ATOM 147 NE2 GLN A 182 13.466 -40.914 -26.130 1.00 22.23 N ATOM 0 H GLN A 182 17.537 -41.112 -28.769 1.00 62.31 H new ATOM 0 HA GLN A 182 15.842 -38.740 -28.509 1.00 40.10 H new ATOM 0 HB2 GLN A 182 16.411 -40.503 -26.247 1.00 72.53 H new ATOM 0 HB3 GLN A 182 17.075 -38.897 -26.027 1.00 72.53 H new ATOM 0 HG2 GLN A 182 15.034 -38.051 -25.562 1.00 23.40 H new ATOM 0 HG3 GLN A 182 14.391 -38.638 -27.083 1.00 23.40 H new ATOM 0 HE21 GLN A 182 13.572 -40.942 -27.144 1.00 22.23 H new ATOM 0 HE22 GLN A 182 12.887 -41.609 -25.658 1.00 22.23 H new ATOM 156 N ASP A 183 18.293 -37.582 -27.846 1.00 20.03 N ATOM 157 CA ASP A 183 19.564 -36.855 -27.941 1.00 43.12 C ATOM 158 C ASP A 183 19.941 -36.448 -29.379 1.00 32.23 C ATOM 159 O ASP A 183 21.100 -36.219 -29.725 1.00 34.24 O ATOM 160 CB ASP A 183 20.626 -37.671 -27.212 1.00 20.31 C ATOM 161 CG ASP A 183 21.904 -36.921 -26.834 1.00 12.13 C ATOM 162 OD1 ASP A 183 21.899 -35.666 -26.779 1.00 23.45 O1- ATOM 163 OD2 ASP A 183 22.844 -37.590 -26.367 1.00 22.45 O ATOM 0 H ASP A 183 17.622 -37.092 -27.255 1.00 20.03 H new ATOM 0 HA ASP A 183 19.469 -35.887 -27.448 1.00 43.12 H new ATOM 0 HB2 ASP A 183 20.183 -38.076 -26.302 1.00 20.31 H new ATOM 0 HB3 ASP A 183 20.898 -38.520 -27.840 1.00 20.31 H new ATOM 168 N THR A 184 18.926 -36.352 -30.229 1.00 51.30 N ATOM 169 CA THR A 184 18.989 -36.108 -31.663 1.00 22.11 C ATOM 170 C THR A 184 18.430 -34.721 -32.011 1.00 53.13 C ATOM 171 O THR A 184 18.505 -34.308 -33.171 1.00 71.31 O ATOM 172 CB THR A 184 18.233 -37.261 -32.364 1.00 3.31 C ATOM 173 OG1 THR A 184 18.179 -37.098 -33.770 1.00 25.41 O ATOM 174 CG2 THR A 184 16.789 -37.436 -31.859 1.00 51.10 C ATOM 0 H THR A 184 17.963 -36.451 -29.907 1.00 51.30 H new ATOM 0 HA THR A 184 20.021 -36.097 -32.014 1.00 22.11 H new ATOM 0 HB THR A 184 18.812 -38.149 -32.113 1.00 3.31 H new ATOM 0 HG1 THR A 184 18.235 -36.145 -33.991 1.00 25.41 H new ATOM 0 HG21 THR A 184 16.315 -38.261 -32.391 1.00 51.10 H new ATOM 0 HG22 THR A 184 16.801 -37.652 -30.791 1.00 51.10 H new ATOM 0 HG23 THR A 184 16.228 -36.519 -32.037 1.00 51.10 H new ATOM 182 N VAL A 185 17.855 -34.005 -31.043 1.00 43.51 N ATOM 183 CA VAL A 185 17.028 -32.823 -31.289 1.00 73.04 C ATOM 184 C VAL A 185 17.913 -31.580 -31.142 1.00 11.42 C ATOM 185 O VAL A 185 17.659 -30.673 -30.351 1.00 54.52 O ATOM 186 CB VAL A 185 15.789 -32.857 -30.372 1.00 23.54 C ATOM 187 CG1 VAL A 185 14.729 -31.842 -30.809 1.00 72.43 C ATOM 188 CG2 VAL A 185 15.109 -34.243 -30.369 1.00 23.12 C ATOM 0 H VAL A 185 17.952 -34.233 -30.054 1.00 43.51 H new ATOM 0 HA VAL A 185 16.628 -32.801 -32.303 1.00 73.04 H new ATOM 0 HB VAL A 185 16.162 -32.616 -29.377 1.00 23.54 H new ATOM 0 HG11 VAL A 185 13.873 -31.898 -30.137 1.00 72.43 H new ATOM 0 HG12 VAL A 185 15.151 -30.838 -30.776 1.00 72.43 H new ATOM 0 HG13 VAL A 185 14.408 -32.067 -31.826 1.00 72.43 H new ATOM 0 HG21 VAL A 185 14.241 -34.221 -29.710 1.00 23.12 H new ATOM 0 HG22 VAL A 185 14.790 -34.494 -31.381 1.00 23.12 H new ATOM 0 HG23 VAL A 185 15.815 -34.994 -30.014 1.00 23.12 H new ATOM 198 N GLY A 186 18.989 -31.576 -31.919 1.00 64.11 N ATOM 199 CA GLY A 186 20.094 -30.643 -31.877 1.00 14.24 C ATOM 200 C GLY A 186 21.296 -31.396 -32.414 1.00 62.45 C ATOM 201 O GLY A 186 21.828 -31.026 -33.460 1.00 21.23 O ATOM 0 H GLY A 186 19.115 -32.279 -32.647 1.00 64.11 H new ATOM 0 HA2 GLY A 186 19.884 -29.761 -32.482 1.00 14.24 H new ATOM 0 HA3 GLY A 186 20.273 -30.296 -30.859 1.00 14.24 H new ATOM 205 N LEU A 187 21.600 -32.536 -31.781 1.00 72.41 N ATOM 206 CA LEU A 187 22.667 -33.475 -32.127 1.00 12.03 C ATOM 207 C LEU A 187 24.040 -32.833 -31.920 1.00 61.21 C ATOM 208 O LEU A 187 24.180 -31.611 -31.880 1.00 12.43 O ATOM 209 CB LEU A 187 22.415 -34.096 -33.522 1.00 63.55 C ATOM 210 CG LEU A 187 23.374 -35.239 -33.916 1.00 32.34 C ATOM 211 CD1 LEU A 187 22.624 -36.354 -34.652 1.00 15.23 C ATOM 212 CD2 LEU A 187 24.506 -34.746 -34.830 1.00 11.21 C ATOM 0 H LEU A 187 21.073 -32.843 -30.964 1.00 72.41 H new ATOM 0 HA LEU A 187 22.660 -34.325 -31.445 1.00 12.03 H new ATOM 0 HB2 LEU A 187 21.393 -34.473 -33.555 1.00 63.55 H new ATOM 0 HB3 LEU A 187 22.488 -33.308 -34.271 1.00 63.55 H new ATOM 0 HG LEU A 187 23.798 -35.618 -32.986 1.00 32.34 H new ATOM 0 HD11 LEU A 187 23.322 -37.147 -34.919 1.00 15.23 H new ATOM 0 HD12 LEU A 187 21.846 -36.758 -34.004 1.00 15.23 H new ATOM 0 HD13 LEU A 187 22.170 -35.951 -35.557 1.00 15.23 H new ATOM 0 HD21 LEU A 187 25.158 -35.581 -35.084 1.00 11.21 H new ATOM 0 HD22 LEU A 187 24.081 -34.327 -35.742 1.00 11.21 H new ATOM 0 HD23 LEU A 187 25.083 -33.979 -34.313 1.00 11.21 H new ATOM 224 N CYS A 188 25.067 -33.664 -31.731 1.00 5.10 N ATOM 225 CA CYS A 188 26.374 -33.276 -31.206 1.00 41.23 C ATOM 226 C CYS A 188 26.264 -32.346 -29.985 1.00 61.24 C ATOM 227 O CYS A 188 27.062 -31.420 -29.824 1.00 13.40 O ATOM 228 CB CYS A 188 27.370 -32.835 -32.297 1.00 24.44 C ATOM 229 SG CYS A 188 26.703 -31.677 -33.535 1.00 53.45 S ATOM 0 H CYS A 188 25.008 -34.659 -31.947 1.00 5.10 H new ATOM 0 HA CYS A 188 26.837 -34.180 -30.810 1.00 41.23 H new ATOM 0 HB2 CYS A 188 28.230 -32.370 -31.815 1.00 24.44 H new ATOM 0 HB3 CYS A 188 27.735 -33.723 -32.813 1.00 24.44 H new ATOM 0 HG CYS A 188 25.576 -31.188 -33.109 1.00 53.45 H new ATOM 235 N PHE A 189 25.331 -32.700 -29.100 1.00 52.22 N ATOM 236 CA PHE A 189 25.090 -32.208 -27.751 1.00 21.13 C ATOM 237 C PHE A 189 24.419 -30.818 -27.688 1.00 22.14 C ATOM 238 O PHE A 189 24.410 -30.069 -28.671 1.00 63.21 O ATOM 239 CB PHE A 189 26.354 -32.396 -26.875 1.00 11.22 C ATOM 240 CG PHE A 189 26.338 -33.711 -26.112 1.00 52.44 C ATOM 241 CD1 PHE A 189 26.084 -34.928 -26.778 1.00 72.12 C ATOM 242 CD2 PHE A 189 26.491 -33.711 -24.715 1.00 41.44 C ATOM 243 CE1 PHE A 189 25.947 -36.120 -26.048 1.00 71.13 C ATOM 244 CE2 PHE A 189 26.345 -34.902 -23.986 1.00 33.44 C ATOM 245 CZ PHE A 189 26.074 -36.110 -24.650 1.00 32.31 C ATOM 0 H PHE A 189 24.651 -33.420 -29.344 1.00 52.22 H new ATOM 0 HA PHE A 189 24.318 -32.830 -27.299 1.00 21.13 H new ATOM 0 HB2 PHE A 189 27.241 -32.357 -27.508 1.00 11.22 H new ATOM 0 HB3 PHE A 189 26.430 -31.570 -26.168 1.00 11.22 H new ATOM 0 HD1 PHE A 189 25.994 -34.943 -27.854 1.00 72.12 H new ATOM 0 HD2 PHE A 189 26.722 -32.790 -24.200 1.00 41.44 H new ATOM 0 HE1 PHE A 189 25.743 -37.047 -26.564 1.00 71.13 H new ATOM 0 HE2 PHE A 189 26.441 -34.889 -22.910 1.00 33.44 H new ATOM 0 HZ PHE A 189 25.964 -37.026 -24.088 1.00 32.31 H new ATOM 255 N PRO A 190 23.761 -30.507 -26.553 1.00 74.42 N ATOM 256 CA PRO A 190 22.926 -29.317 -26.384 1.00 62.01 C ATOM 257 C PRO A 190 23.761 -28.062 -26.120 1.00 31.33 C ATOM 258 O PRO A 190 24.989 -28.071 -26.253 1.00 55.50 O ATOM 259 CB PRO A 190 21.996 -29.667 -25.216 1.00 44.41 C ATOM 260 CG PRO A 190 22.872 -30.549 -24.335 1.00 32.21 C ATOM 261 CD PRO A 190 23.634 -31.363 -25.373 1.00 14.15 C ATOM 0 HA PRO A 190 22.364 -29.073 -27.286 1.00 62.01 H new ATOM 0 HB2 PRO A 190 21.659 -28.776 -24.687 1.00 44.41 H new ATOM 0 HB3 PRO A 190 21.103 -30.193 -25.554 1.00 44.41 H new ATOM 0 HG2 PRO A 190 23.540 -29.962 -23.704 1.00 32.21 H new ATOM 0 HG3 PRO A 190 22.281 -31.181 -23.672 1.00 32.21 H new ATOM 0 HD2 PRO A 190 24.615 -31.654 -24.996 1.00 14.15 H new ATOM 0 HD3 PRO A 190 23.100 -32.282 -25.615 1.00 14.15 H new ATOM 269 N MET A 191 23.103 -26.969 -25.714 1.00 5.12 N ATOM 270 CA MET A 191 23.726 -25.699 -25.353 1.00 32.15 C ATOM 271 C MET A 191 24.399 -25.097 -26.594 1.00 53.20 C ATOM 272 O MET A 191 25.579 -24.722 -26.576 1.00 13.41 O ATOM 273 CB MET A 191 24.613 -25.826 -24.110 1.00 33.21 C ATOM 274 CG MET A 191 23.893 -26.437 -22.905 1.00 23.31 C ATOM 275 SD MET A 191 24.921 -26.436 -21.414 1.00 33.12 S ATOM 276 CE MET A 191 24.641 -24.724 -20.902 1.00 34.42 C ATOM 0 H MET A 191 22.087 -26.949 -25.626 1.00 5.12 H new ATOM 0 HA MET A 191 22.969 -24.980 -25.039 1.00 32.15 H new ATOM 0 HB2 MET A 191 25.481 -26.439 -24.354 1.00 33.21 H new ATOM 0 HB3 MET A 191 24.987 -24.839 -23.838 1.00 33.21 H new ATOM 0 HG2 MET A 191 22.977 -25.880 -22.712 1.00 23.31 H new ATOM 0 HG3 MET A 191 23.600 -27.460 -23.141 1.00 23.31 H new ATOM 0 HE1 MET A 191 25.110 -24.553 -19.933 1.00 34.42 H new ATOM 0 HE2 MET A 191 25.074 -24.048 -21.639 1.00 34.42 H new ATOM 0 HE3 MET A 191 23.570 -24.538 -20.825 1.00 34.42 H new ATOM 286 N ARG A 192 23.621 -25.065 -27.680 1.00 54.31 N ATOM 287 CA ARG A 192 24.063 -24.807 -29.049 1.00 71.24 C ATOM 288 C ARG A 192 23.137 -23.854 -29.822 1.00 74.33 C ATOM 289 O ARG A 192 23.284 -23.711 -31.042 1.00 44.54 O ATOM 290 CB ARG A 192 24.163 -26.171 -29.761 1.00 53.03 C ATOM 291 CG ARG A 192 25.249 -26.186 -30.838 1.00 10.34 C ATOM 292 CD ARG A 192 26.653 -26.312 -30.222 1.00 64.52 C ATOM 293 NE ARG A 192 27.172 -27.679 -30.377 1.00 53.10 N ATOM 294 CZ ARG A 192 27.632 -28.177 -31.530 1.00 23.44 C ATOM 295 NH1 ARG A 192 27.783 -27.395 -32.597 1.00 33.24 N1+ ATOM 296 NH2 ARG A 192 27.925 -29.465 -31.608 1.00 13.53 N ATOM 0 H ARG A 192 22.616 -25.227 -27.623 1.00 54.31 H new ATOM 0 HA ARG A 192 25.028 -24.300 -29.017 1.00 71.24 H new ATOM 0 HB2 ARG A 192 24.373 -26.948 -29.026 1.00 53.03 H new ATOM 0 HB3 ARG A 192 23.202 -26.413 -30.214 1.00 53.03 H new ATOM 0 HG2 ARG A 192 25.074 -27.018 -31.521 1.00 10.34 H new ATOM 0 HG3 ARG A 192 25.190 -25.271 -31.428 1.00 10.34 H new ATOM 0 HD2 ARG A 192 27.330 -25.605 -30.702 1.00 64.52 H new ATOM 0 HD3 ARG A 192 26.616 -26.050 -29.165 1.00 64.52 H new ATOM 0 HE ARG A 192 27.182 -28.284 -29.556 1.00 53.10 H new ATOM 0 HH11 ARG A 192 27.547 -26.404 -32.541 1.00 33.24 H new ATOM 0 HH12 ARG A 192 28.135 -27.787 -33.471 1.00 33.24 H new ATOM 0 HH21 ARG A 192 27.799 -30.067 -30.794 1.00 13.53 H new ATOM 0 HH22 ARG A 192 28.277 -29.856 -32.482 1.00 13.53 H new ATOM 310 N THR A 193 22.137 -23.248 -29.181 1.00 21.21 N ATOM 311 CA THR A 193 21.142 -22.452 -29.889 1.00 71.03 C ATOM 312 C THR A 193 20.623 -21.370 -28.949 1.00 61.34 C ATOM 313 O THR A 193 20.035 -21.665 -27.907 1.00 73.14 O ATOM 314 CB THR A 193 20.081 -23.347 -30.576 1.00 53.20 C ATOM 315 OG1 THR A 193 18.829 -22.721 -30.746 1.00 41.42 O ATOM 316 CG2 THR A 193 19.808 -24.717 -29.941 1.00 75.33 C ATOM 0 H THR A 193 21.997 -23.295 -28.172 1.00 21.21 H new ATOM 0 HA THR A 193 21.582 -21.921 -30.733 1.00 71.03 H new ATOM 0 HB THR A 193 20.575 -23.515 -31.533 1.00 53.20 H new ATOM 0 HG1 THR A 193 18.210 -23.341 -31.186 1.00 41.42 H new ATOM 0 HG21 THR A 193 19.046 -25.241 -30.519 1.00 75.33 H new ATOM 0 HG22 THR A 193 20.726 -25.304 -29.934 1.00 75.33 H new ATOM 0 HG23 THR A 193 19.457 -24.580 -28.918 1.00 75.33 H new ATOM 324 N TYR A 194 20.921 -20.116 -29.290 1.00 32.21 N ATOM 325 CA TYR A 194 20.585 -18.936 -28.496 1.00 24.41 C ATOM 326 C TYR A 194 20.230 -17.721 -29.370 1.00 2.42 C ATOM 327 O TYR A 194 20.319 -16.578 -28.921 1.00 43.14 O ATOM 328 CB TYR A 194 21.704 -18.642 -27.467 1.00 72.14 C ATOM 329 CG TYR A 194 21.147 -18.468 -26.063 1.00 73.13 C ATOM 330 CD1 TYR A 194 20.394 -17.321 -25.739 1.00 45.31 C ATOM 331 CD2 TYR A 194 21.319 -19.482 -25.102 1.00 72.31 C ATOM 332 CE1 TYR A 194 19.784 -17.207 -24.479 1.00 5.30 C ATOM 333 CE2 TYR A 194 20.699 -19.380 -23.842 1.00 32.21 C ATOM 334 CZ TYR A 194 19.907 -18.252 -23.535 1.00 42.51 C ATOM 335 OH TYR A 194 19.228 -18.176 -22.358 1.00 72.23 O ATOM 0 H TYR A 194 21.417 -19.888 -30.151 1.00 32.21 H new ATOM 0 HA TYR A 194 19.677 -19.153 -27.934 1.00 24.41 H new ATOM 0 HB2 TYR A 194 22.427 -19.458 -27.473 1.00 72.14 H new ATOM 0 HB3 TYR A 194 22.240 -17.739 -27.760 1.00 72.14 H new ATOM 0 HD1 TYR A 194 20.286 -16.527 -26.463 1.00 45.31 H new ATOM 0 HD2 TYR A 194 21.930 -20.343 -25.332 1.00 72.31 H new ATOM 0 HE1 TYR A 194 19.220 -16.320 -24.231 1.00 5.30 H new ATOM 0 HE2 TYR A 194 20.829 -20.164 -23.111 1.00 32.21 H new ATOM 0 HH TYR A 194 19.417 -18.972 -21.819 1.00 72.23 H new ATOM 345 N SER A 195 19.800 -17.940 -30.616 1.00 32.13 N ATOM 346 CA SER A 195 19.286 -16.915 -31.533 1.00 10.15 C ATOM 347 C SER A 195 17.903 -16.397 -31.078 1.00 61.15 C ATOM 348 O SER A 195 16.915 -16.462 -31.815 1.00 42.40 O ATOM 349 CB SER A 195 19.240 -17.502 -32.954 1.00 65.44 C ATOM 350 OG SER A 195 20.537 -17.911 -33.359 1.00 24.24 O ATOM 0 H SER A 195 19.800 -18.872 -31.031 1.00 32.13 H new ATOM 0 HA SER A 195 19.952 -16.052 -31.527 1.00 10.15 H new ATOM 0 HB2 SER A 195 18.558 -18.352 -32.982 1.00 65.44 H new ATOM 0 HB3 SER A 195 18.852 -16.758 -33.650 1.00 65.44 H new ATOM 0 HG SER A 195 20.495 -18.284 -34.264 1.00 24.24 H new ATOM 356 N LYS A 196 17.801 -15.926 -29.833 1.00 35.23 N ATOM 357 CA LYS A 196 16.554 -15.622 -29.138 1.00 32.13 C ATOM 358 C LYS A 196 16.754 -14.469 -28.144 1.00 0.52 C ATOM 359 O LYS A 196 16.105 -14.423 -27.100 1.00 54.11 O ATOM 360 CB LYS A 196 16.027 -16.910 -28.478 1.00 20.51 C ATOM 361 CG LYS A 196 14.514 -16.860 -28.212 1.00 51.31 C ATOM 362 CD LYS A 196 14.066 -18.073 -27.392 1.00 13.40 C ATOM 363 CE LYS A 196 12.569 -17.992 -27.072 1.00 13.14 C ATOM 364 NZ LYS A 196 12.146 -19.054 -26.139 1.00 11.14 N1+ ATOM 0 H LYS A 196 18.623 -15.739 -29.259 1.00 35.23 H new ATOM 0 HA LYS A 196 15.798 -15.277 -29.843 1.00 32.13 H new ATOM 0 HB2 LYS A 196 16.251 -17.761 -29.121 1.00 20.51 H new ATOM 0 HB3 LYS A 196 16.553 -17.073 -27.537 1.00 20.51 H new ATOM 0 HG2 LYS A 196 14.264 -15.943 -27.679 1.00 51.31 H new ATOM 0 HG3 LYS A 196 13.974 -16.836 -29.159 1.00 51.31 H new ATOM 0 HD2 LYS A 196 14.275 -18.989 -27.945 1.00 13.40 H new ATOM 0 HD3 LYS A 196 14.638 -18.123 -26.466 1.00 13.40 H new ATOM 0 HE2 LYS A 196 12.343 -17.018 -26.639 1.00 13.14 H new ATOM 0 HE3 LYS A 196 11.996 -18.071 -27.996 1.00 13.14 H new ATOM 0 HZ1 LYS A 196 11.128 -18.964 -25.949 1.00 11.14 H new ATOM 0 HZ2 LYS A 196 12.338 -19.984 -26.562 1.00 11.14 H new ATOM 0 HZ3 LYS A 196 12.674 -18.964 -25.248 1.00 11.14 H new ATOM 378 N GLN A 197 17.695 -13.561 -28.408 1.00 54.34 N ATOM 379 CA GLN A 197 18.046 -12.485 -27.478 1.00 31.24 C ATOM 380 C GLN A 197 17.309 -11.167 -27.786 1.00 14.24 C ATOM 381 O GLN A 197 17.652 -10.124 -27.224 1.00 54.12 O ATOM 382 CB GLN A 197 19.579 -12.375 -27.351 1.00 52.12 C ATOM 383 CG GLN A 197 20.373 -12.023 -28.625 1.00 43.43 C ATOM 384 CD GLN A 197 21.238 -13.192 -29.115 1.00 62.31 C ATOM 385 OE1 GLN A 197 22.229 -13.560 -28.479 1.00 22.03 O ATOM 386 NE2 GLN A 197 20.900 -13.791 -30.244 1.00 44.20 N ATOM 0 H GLN A 197 18.236 -13.550 -29.273 1.00 54.34 H new ATOM 0 HA GLN A 197 17.681 -12.739 -26.483 1.00 31.24 H new ATOM 0 HB2 GLN A 197 19.801 -11.620 -26.596 1.00 52.12 H new ATOM 0 HB3 GLN A 197 19.955 -13.325 -26.972 1.00 52.12 H new ATOM 0 HG2 GLN A 197 19.679 -11.732 -29.414 1.00 43.43 H new ATOM 0 HG3 GLN A 197 21.010 -11.161 -28.427 1.00 43.43 H new ATOM 0 HE21 GLN A 197 20.078 -13.478 -30.761 1.00 44.20 H new ATOM 0 HE22 GLN A 197 21.461 -14.566 -30.598 1.00 44.20 H new ATOM 395 N SER A 198 16.291 -11.199 -28.651 1.00 41.44 N ATOM 396 CA SER A 198 15.708 -10.013 -29.278 1.00 54.41 C ATOM 397 C SER A 198 14.178 -10.066 -29.146 1.00 63.14 C ATOM 398 O SER A 198 13.535 -10.836 -29.866 1.00 14.14 O ATOM 399 CB SER A 198 16.167 -9.978 -30.746 1.00 23.42 C ATOM 400 OG SER A 198 17.499 -10.448 -30.912 1.00 4.34 O ATOM 0 H SER A 198 15.841 -12.068 -28.940 1.00 41.44 H new ATOM 0 HA SER A 198 16.041 -9.098 -28.789 1.00 54.41 H new ATOM 0 HB2 SER A 198 15.493 -10.587 -31.349 1.00 23.42 H new ATOM 0 HB3 SER A 198 16.096 -8.957 -31.121 1.00 23.42 H new ATOM 0 HG SER A 198 17.744 -10.408 -31.860 1.00 4.34 H new ATOM 406 N LYS A 199 13.594 -9.353 -28.174 1.00 11.23 N ATOM 407 CA LYS A 199 12.155 -9.361 -27.879 1.00 2.21 C ATOM 408 C LYS A 199 11.658 -7.943 -27.567 1.00 2.30 C ATOM 409 O LYS A 199 11.554 -7.586 -26.391 1.00 75.01 O ATOM 410 CB LYS A 199 11.824 -10.327 -26.722 1.00 55.42 C ATOM 411 CG LYS A 199 12.053 -11.802 -27.077 1.00 60.32 C ATOM 412 CD LYS A 199 13.413 -12.365 -26.652 1.00 62.24 C ATOM 413 CE LYS A 199 13.246 -13.205 -25.384 1.00 63.50 C ATOM 414 NZ LYS A 199 14.533 -13.755 -24.939 1.00 45.33 N1+ ATOM 0 H LYS A 199 14.123 -8.739 -27.555 1.00 11.23 H new ATOM 0 HA LYS A 199 11.634 -9.719 -28.767 1.00 2.21 H new ATOM 0 HB2 LYS A 199 12.436 -10.070 -25.857 1.00 55.42 H new ATOM 0 HB3 LYS A 199 10.783 -10.189 -26.429 1.00 55.42 H new ATOM 0 HG2 LYS A 199 11.268 -12.398 -26.612 1.00 60.32 H new ATOM 0 HG3 LYS A 199 11.948 -11.922 -28.155 1.00 60.32 H new ATOM 0 HD2 LYS A 199 13.832 -12.975 -27.452 1.00 62.24 H new ATOM 0 HD3 LYS A 199 14.115 -11.551 -26.471 1.00 62.24 H new ATOM 0 HE2 LYS A 199 12.816 -12.592 -24.592 1.00 63.50 H new ATOM 0 HE3 LYS A 199 12.546 -14.018 -25.573 1.00 63.50 H new ATOM 0 HZ1 LYS A 199 14.375 -14.414 -24.150 1.00 45.33 H new ATOM 0 HZ2 LYS A 199 14.986 -14.261 -25.727 1.00 45.33 H new ATOM 0 HZ3 LYS A 199 15.151 -12.980 -24.624 1.00 45.33 H new ATOM 428 N PRO A 200 11.380 -7.101 -28.571 1.00 22.33 N ATOM 429 CA PRO A 200 10.754 -5.798 -28.383 1.00 61.21 C ATOM 430 C PRO A 200 9.268 -5.979 -28.048 1.00 63.15 C ATOM 431 O PRO A 200 8.410 -5.966 -28.937 1.00 70.42 O ATOM 432 CB PRO A 200 10.982 -5.063 -29.704 1.00 43.42 C ATOM 433 CG PRO A 200 11.031 -6.182 -30.741 1.00 75.53 C ATOM 434 CD PRO A 200 11.698 -7.318 -29.970 1.00 21.14 C ATOM 0 HA PRO A 200 11.172 -5.229 -27.553 1.00 61.21 H new ATOM 0 HB2 PRO A 200 10.177 -4.359 -29.914 1.00 43.42 H new ATOM 0 HB3 PRO A 200 11.910 -4.491 -29.688 1.00 43.42 H new ATOM 0 HG2 PRO A 200 10.035 -6.457 -31.088 1.00 75.53 H new ATOM 0 HG3 PRO A 200 11.607 -5.895 -31.621 1.00 75.53 H new ATOM 0 HD2 PRO A 200 11.329 -8.286 -30.307 1.00 21.14 H new ATOM 0 HD3 PRO A 200 12.776 -7.315 -30.129 1.00 21.14 H new ATOM 442 N LEU A 201 8.950 -6.188 -26.770 1.00 44.43 N ATOM 443 CA LEU A 201 7.599 -6.470 -26.298 1.00 11.42 C ATOM 444 C LEU A 201 7.033 -5.243 -25.586 1.00 51.40 C ATOM 445 O LEU A 201 7.787 -4.512 -24.947 1.00 54.24 O ATOM 446 CB LEU A 201 7.616 -7.742 -25.434 1.00 24.05 C ATOM 447 CG LEU A 201 8.230 -7.587 -24.026 1.00 44.05 C ATOM 448 CD1 LEU A 201 7.148 -7.326 -22.967 1.00 42.43 C ATOM 449 CD2 LEU A 201 8.996 -8.858 -23.653 1.00 3.33 C ATOM 0 H LEU A 201 9.641 -6.165 -26.020 1.00 44.43 H new ATOM 0 HA LEU A 201 6.927 -6.671 -27.133 1.00 11.42 H new ATOM 0 HB2 LEU A 201 6.592 -8.100 -25.326 1.00 24.05 H new ATOM 0 HB3 LEU A 201 8.169 -8.515 -25.968 1.00 24.05 H new ATOM 0 HG LEU A 201 8.906 -6.732 -24.050 1.00 44.05 H new ATOM 0 HD11 LEU A 201 7.615 -7.222 -21.988 1.00 42.43 H new ATOM 0 HD12 LEU A 201 6.612 -6.409 -23.213 1.00 42.43 H new ATOM 0 HD13 LEU A 201 6.448 -8.161 -22.948 1.00 42.43 H new ATOM 0 HD21 LEU A 201 9.428 -8.744 -22.659 1.00 3.33 H new ATOM 0 HD22 LEU A 201 8.314 -9.708 -23.657 1.00 3.33 H new ATOM 0 HD23 LEU A 201 9.793 -9.028 -24.377 1.00 3.33 H new ATOM 461 N PHE A 202 5.718 -5.020 -25.658 1.00 5.10 N ATOM 462 CA PHE A 202 5.062 -3.850 -25.059 1.00 64.12 C ATOM 463 C PHE A 202 3.731 -4.225 -24.409 1.00 52.51 C ATOM 464 O PHE A 202 2.761 -3.468 -24.398 1.00 4.24 O ATOM 465 CB PHE A 202 4.926 -2.725 -26.094 1.00 64.31 C ATOM 466 CG PHE A 202 5.049 -1.349 -25.462 1.00 42.43 C ATOM 467 CD1 PHE A 202 3.929 -0.686 -24.915 1.00 30.41 C ATOM 468 CD2 PHE A 202 6.321 -0.763 -25.348 1.00 65.05 C ATOM 469 CE1 PHE A 202 4.088 0.531 -24.226 1.00 24.05 C ATOM 470 CE2 PHE A 202 6.472 0.460 -24.676 1.00 14.43 C ATOM 471 CZ PHE A 202 5.364 1.106 -24.103 1.00 35.32 C ATOM 0 H PHE A 202 5.073 -5.649 -26.136 1.00 5.10 H new ATOM 0 HA PHE A 202 5.691 -3.471 -24.254 1.00 64.12 H new ATOM 0 HB2 PHE A 202 5.694 -2.842 -26.859 1.00 64.31 H new ATOM 0 HB3 PHE A 202 3.962 -2.808 -26.595 1.00 64.31 H new ATOM 0 HD1 PHE A 202 2.944 -1.115 -25.026 1.00 30.41 H new ATOM 0 HD2 PHE A 202 7.182 -1.253 -25.777 1.00 65.05 H new ATOM 0 HE1 PHE A 202 3.230 1.022 -23.792 1.00 24.05 H new ATOM 0 HE2 PHE A 202 7.451 0.909 -24.599 1.00 14.43 H new ATOM 0 HZ PHE A 202 5.492 2.038 -23.572 1.00 35.32 H new ATOM 481 N SER A 203 3.649 -5.445 -23.899 1.00 15.14 N ATOM 482 CA SER A 203 2.539 -5.891 -23.074 1.00 33.33 C ATOM 483 C SER A 203 3.030 -7.049 -22.224 1.00 3.11 C ATOM 484 O SER A 203 3.751 -7.908 -22.745 1.00 43.21 O ATOM 485 CB SER A 203 1.384 -6.329 -23.987 1.00 34.23 C ATOM 486 OG SER A 203 0.231 -6.618 -23.231 1.00 54.15 O ATOM 0 H SER A 203 4.360 -6.160 -24.049 1.00 15.14 H new ATOM 0 HA SER A 203 2.178 -5.093 -22.425 1.00 33.33 H new ATOM 0 HB2 SER A 203 1.164 -5.540 -24.707 1.00 34.23 H new ATOM 0 HB3 SER A 203 1.680 -7.209 -24.558 1.00 34.23 H new ATOM 0 HG SER A 203 -0.566 -6.473 -23.782 1.00 54.15 H new ATOM 492 N ASN A 204 2.584 -7.123 -20.965 1.00 33.34 N ATOM 493 CA ASN A 204 2.777 -8.306 -20.129 1.00 23.22 C ATOM 494 C ASN A 204 2.228 -9.537 -20.832 1.00 63.13 C ATOM 495 O ASN A 204 2.890 -10.570 -20.939 1.00 34.55 O ATOM 496 CB ASN A 204 2.143 -8.136 -18.739 1.00 43.13 C ATOM 497 CG ASN A 204 2.182 -9.424 -17.918 1.00 52.12 C ATOM 498 OD1 ASN A 204 3.146 -10.184 -17.992 1.00 12.14 O ATOM 499 ND2 ASN A 204 1.141 -9.734 -17.165 1.00 65.03 N ATOM 0 H ASN A 204 2.081 -6.366 -20.501 1.00 33.34 H new ATOM 0 HA ASN A 204 3.848 -8.436 -19.975 1.00 23.22 H new ATOM 0 HB2 ASN A 204 2.667 -7.348 -18.198 1.00 43.13 H new ATOM 0 HB3 ASN A 204 1.108 -7.812 -18.852 1.00 43.13 H new ATOM 0 HD21 ASN A 204 1.134 -10.609 -16.640 1.00 65.03 H new ATOM 0 HD22 ASN A 204 0.345 -9.099 -17.109 1.00 65.03 H new ATOM 506 N LYS A 205 1.022 -9.398 -21.370 1.00 32.23 N ATOM 507 CA LYS A 205 0.302 -10.480 -22.024 1.00 5.31 C ATOM 508 C LYS A 205 -0.394 -9.978 -23.282 1.00 74.31 C ATOM 509 O LYS A 205 0.112 -10.202 -24.374 1.00 44.22 O ATOM 510 CB LYS A 205 -0.607 -11.194 -21.003 1.00 4.33 C ATOM 511 CG LYS A 205 -0.580 -12.717 -21.181 1.00 24.12 C ATOM 512 CD LYS A 205 -1.297 -13.197 -22.448 1.00 43.10 C ATOM 513 CE LYS A 205 -1.156 -14.716 -22.575 1.00 53.42 C ATOM 514 NZ LYS A 205 0.181 -15.101 -23.076 1.00 41.42 N1+ ATOM 0 H LYS A 205 0.510 -8.516 -21.363 1.00 32.23 H new ATOM 0 HA LYS A 205 0.992 -11.244 -22.381 1.00 5.31 H new ATOM 0 HB2 LYS A 205 -0.287 -10.941 -19.992 1.00 4.33 H new ATOM 0 HB3 LYS A 205 -1.630 -10.834 -21.113 1.00 4.33 H new ATOM 0 HG2 LYS A 205 0.456 -13.053 -21.210 1.00 24.12 H new ATOM 0 HG3 LYS A 205 -1.043 -13.185 -20.312 1.00 24.12 H new ATOM 0 HD2 LYS A 205 -2.351 -12.922 -22.408 1.00 43.10 H new ATOM 0 HD3 LYS A 205 -0.873 -12.708 -23.325 1.00 43.10 H new ATOM 0 HE2 LYS A 205 -1.328 -15.180 -21.604 1.00 53.42 H new ATOM 0 HE3 LYS A 205 -1.922 -15.097 -23.251 1.00 53.42 H new ATOM 0 HZ1 LYS A 205 0.211 -16.129 -23.230 1.00 41.42 H new ATOM 0 HZ2 LYS A 205 0.370 -14.611 -23.974 1.00 41.42 H new ATOM 0 HZ3 LYS A 205 0.904 -14.834 -22.377 1.00 41.42 H new ATOM 528 N ARG A 206 -1.550 -9.317 -23.166 1.00 72.04 N ATOM 529 CA ARG A 206 -2.321 -8.885 -24.316 1.00 44.22 C ATOM 530 C ARG A 206 -2.785 -7.452 -24.120 1.00 14.02 C ATOM 531 O ARG A 206 -2.121 -6.542 -24.619 1.00 71.11 O ATOM 532 CB ARG A 206 -3.450 -9.894 -24.581 1.00 34.22 C ATOM 533 CG ARG A 206 -4.113 -9.503 -25.895 1.00 44.22 C ATOM 534 CD ARG A 206 -5.151 -10.513 -26.364 1.00 73.05 C ATOM 535 NE ARG A 206 -5.531 -10.194 -27.739 1.00 44.20 N ATOM 536 CZ ARG A 206 -6.367 -10.859 -28.530 1.00 1.34 C ATOM 537 NH1 ARG A 206 -7.071 -11.880 -28.053 1.00 3.11 N1+ ATOM 538 NH2 ARG A 206 -6.462 -10.474 -29.796 1.00 20.34 N ATOM 0 H ARG A 206 -1.970 -9.071 -22.270 1.00 72.04 H new ATOM 0 HA ARG A 206 -1.709 -8.872 -25.218 1.00 44.22 H new ATOM 0 HB2 ARG A 206 -3.053 -10.907 -24.638 1.00 34.22 H new ATOM 0 HB3 ARG A 206 -4.175 -9.881 -23.767 1.00 34.22 H new ATOM 0 HG2 ARG A 206 -4.589 -8.529 -25.779 1.00 44.22 H new ATOM 0 HG3 ARG A 206 -3.347 -9.394 -26.663 1.00 44.22 H new ATOM 0 HD2 ARG A 206 -4.746 -11.523 -26.309 1.00 73.05 H new ATOM 0 HD3 ARG A 206 -6.026 -10.484 -25.714 1.00 73.05 H new ATOM 0 HE ARG A 206 -5.103 -9.360 -28.140 1.00 44.20 H new ATOM 0 HH11 ARG A 206 -6.971 -12.156 -27.076 1.00 3.11 H new ATOM 0 HH12 ARG A 206 -7.711 -12.387 -28.664 1.00 3.11 H new ATOM 0 HH21 ARG A 206 -5.903 -9.690 -30.134 1.00 20.34 H new ATOM 0 HH22 ARG A 206 -7.094 -10.962 -30.431 1.00 20.34 H new ATOM 552 N LYS A 207 -3.880 -7.250 -23.384 1.00 13.45 N ATOM 553 CA LYS A 207 -4.498 -5.984 -23.076 1.00 44.04 C ATOM 554 C LYS A 207 -4.357 -5.821 -21.571 1.00 62.01 C ATOM 555 O LYS A 207 -4.913 -6.633 -20.838 1.00 42.43 O ATOM 556 CB LYS A 207 -5.969 -6.029 -23.533 1.00 24.21 C ATOM 557 CG LYS A 207 -6.826 -4.877 -22.993 1.00 43.43 C ATOM 558 CD LYS A 207 -6.353 -3.503 -23.480 1.00 14.11 C ATOM 559 CE LYS A 207 -7.289 -2.382 -23.014 1.00 12.52 C ATOM 560 NZ LYS A 207 -6.884 -1.788 -21.730 1.00 13.51 N1+ ATOM 0 H LYS A 207 -4.384 -8.030 -22.964 1.00 13.45 H new ATOM 0 HA LYS A 207 -4.039 -5.136 -23.584 1.00 44.04 H new ATOM 0 HB2 LYS A 207 -6.001 -6.012 -24.622 1.00 24.21 H new ATOM 0 HB3 LYS A 207 -6.408 -6.975 -23.216 1.00 24.21 H new ATOM 0 HG2 LYS A 207 -7.862 -5.028 -23.297 1.00 43.43 H new ATOM 0 HG3 LYS A 207 -6.808 -4.897 -21.903 1.00 43.43 H new ATOM 0 HD2 LYS A 207 -5.346 -3.313 -23.110 1.00 14.11 H new ATOM 0 HD3 LYS A 207 -6.298 -3.502 -24.569 1.00 14.11 H new ATOM 0 HE2 LYS A 207 -7.319 -1.602 -23.775 1.00 12.52 H new ATOM 0 HE3 LYS A 207 -8.301 -2.777 -22.922 1.00 12.52 H new ATOM 0 HZ1 LYS A 207 -7.554 -1.037 -21.468 1.00 13.51 H new ATOM 0 HZ2 LYS A 207 -6.881 -2.522 -20.993 1.00 13.51 H new ATOM 0 HZ3 LYS A 207 -5.930 -1.384 -21.820 1.00 13.51 H new ATOM 574 N ILE A 208 -3.584 -4.835 -21.136 1.00 1.30 N ATOM 575 CA ILE A 208 -3.422 -4.434 -19.752 1.00 11.50 C ATOM 576 C ILE A 208 -3.514 -2.926 -19.718 1.00 21.22 C ATOM 577 O ILE A 208 -3.178 -2.211 -20.670 1.00 5.12 O ATOM 578 CB ILE A 208 -2.085 -4.962 -19.162 1.00 32.34 C ATOM 579 CG1 ILE A 208 -1.948 -6.498 -19.246 1.00 21.11 C ATOM 580 CG2 ILE A 208 -1.908 -4.564 -17.682 1.00 34.12 C ATOM 581 CD1 ILE A 208 -1.290 -7.026 -20.521 1.00 64.43 C ATOM 0 H ILE A 208 -3.027 -4.267 -21.774 1.00 1.30 H new ATOM 0 HA ILE A 208 -4.202 -4.867 -19.126 1.00 11.50 H new ATOM 0 HB ILE A 208 -1.315 -4.497 -19.778 1.00 32.34 H new ATOM 0 HG12 ILE A 208 -1.369 -6.842 -18.389 1.00 21.11 H new ATOM 0 HG13 ILE A 208 -2.940 -6.940 -19.159 1.00 21.11 H new ATOM 0 HG21 ILE A 208 -0.960 -4.954 -17.311 1.00 34.12 H new ATOM 0 HG22 ILE A 208 -1.912 -3.478 -17.594 1.00 34.12 H new ATOM 0 HG23 ILE A 208 -2.726 -4.979 -17.093 1.00 34.12 H new ATOM 0 HD11 ILE A 208 -1.241 -8.114 -20.482 1.00 64.43 H new ATOM 0 HD12 ILE A 208 -1.877 -6.720 -21.387 1.00 64.43 H new ATOM 0 HD13 ILE A 208 -0.282 -6.621 -20.605 1.00 64.43 H new ATOM 593 N HIS A 209 -4.002 -2.462 -18.583 1.00 41.32 N ATOM 594 CA HIS A 209 -4.064 -1.092 -18.175 1.00 63.01 C ATOM 595 C HIS A 209 -4.029 -1.105 -16.648 1.00 55.52 C ATOM 596 O HIS A 209 -4.257 -2.148 -16.029 1.00 14.34 O ATOM 597 CB HIS A 209 -5.367 -0.511 -18.721 1.00 3.24 C ATOM 598 CG HIS A 209 -5.525 0.966 -18.461 1.00 14.44 C ATOM 599 ND1 HIS A 209 -6.404 1.581 -17.596 1.00 43.42 N ATOM 600 CD2 HIS A 209 -4.793 1.945 -19.074 1.00 41.34 C ATOM 601 CE1 HIS A 209 -6.190 2.908 -17.672 1.00 35.43 C ATOM 602 NE2 HIS A 209 -5.240 3.175 -18.590 1.00 2.45 N ATOM 0 H HIS A 209 -4.391 -3.088 -17.878 1.00 41.32 H new ATOM 0 HA HIS A 209 -3.242 -0.480 -18.548 1.00 63.01 H new ATOM 0 HB2 HIS A 209 -5.412 -0.689 -19.795 1.00 3.24 H new ATOM 0 HB3 HIS A 209 -6.207 -1.042 -18.274 1.00 3.24 H new ATOM 0 HD2 HIS A 209 -4.010 1.793 -19.802 1.00 41.34 H new ATOM 0 HE1 HIS A 209 -6.705 3.652 -17.082 1.00 35.43 H new ATOM 0 HE2 HIS A 209 -4.911 4.097 -18.876 1.00 2.45 H new ATOM 610 N LEU A 210 -3.797 0.052 -16.029 1.00 24.30 N ATOM 611 CA LEU A 210 -3.732 0.202 -14.574 1.00 74.33 C ATOM 612 C LEU A 210 -5.005 -0.290 -13.887 1.00 64.15 C ATOM 613 O LEU A 210 -4.962 -0.679 -12.731 1.00 4.22 O ATOM 614 CB LEU A 210 -3.474 1.674 -14.250 1.00 35.43 C ATOM 615 CG LEU A 210 -2.949 1.904 -12.816 1.00 23.31 C ATOM 616 CD1 LEU A 210 -1.820 2.936 -12.824 1.00 42.23 C ATOM 617 CD2 LEU A 210 -4.044 2.424 -11.882 1.00 61.45 C ATOM 0 H LEU A 210 -3.646 0.926 -16.532 1.00 24.30 H new ATOM 0 HA LEU A 210 -2.919 -0.415 -14.193 1.00 74.33 H new ATOM 0 HB2 LEU A 210 -2.752 2.074 -14.962 1.00 35.43 H new ATOM 0 HB3 LEU A 210 -4.399 2.235 -14.385 1.00 35.43 H new ATOM 0 HG LEU A 210 -2.595 0.938 -12.455 1.00 23.31 H new ATOM 0 HD11 LEU A 210 -1.459 3.089 -11.807 1.00 42.23 H new ATOM 0 HD12 LEU A 210 -1.003 2.576 -13.449 1.00 42.23 H new ATOM 0 HD13 LEU A 210 -2.193 3.880 -13.222 1.00 42.23 H new ATOM 0 HD21 LEU A 210 -3.631 2.572 -10.884 1.00 61.45 H new ATOM 0 HD22 LEU A 210 -4.425 3.372 -12.261 1.00 61.45 H new ATOM 0 HD23 LEU A 210 -4.856 1.699 -11.835 1.00 61.45 H new ATOM 629 N SER A 211 -6.112 -0.345 -14.623 1.00 3.02 N ATOM 630 CA SER A 211 -7.405 -0.880 -14.218 1.00 64.31 C ATOM 631 C SER A 211 -7.352 -2.234 -13.498 1.00 54.04 C ATOM 632 O SER A 211 -8.092 -2.449 -12.532 1.00 2.11 O ATOM 633 CB SER A 211 -8.292 -0.965 -15.467 1.00 73.53 C ATOM 634 OG SER A 211 -8.482 0.334 -16.015 1.00 23.32 O ATOM 0 H SER A 211 -6.129 0.006 -15.580 1.00 3.02 H new ATOM 0 HA SER A 211 -7.816 -0.198 -13.474 1.00 64.31 H new ATOM 0 HB2 SER A 211 -7.830 -1.618 -16.208 1.00 73.53 H new ATOM 0 HB3 SER A 211 -9.255 -1.405 -15.210 1.00 73.53 H new ATOM 0 HG SER A 211 -7.732 0.553 -16.606 1.00 23.32 H new ATOM 640 N GLU A 212 -6.482 -3.124 -13.962 1.00 61.43 N ATOM 641 CA GLU A 212 -6.267 -4.462 -13.460 1.00 71.32 C ATOM 642 C GLU A 212 -5.461 -4.447 -12.146 1.00 51.54 C ATOM 643 O GLU A 212 -5.486 -5.417 -11.387 1.00 40.14 O ATOM 644 CB GLU A 212 -5.553 -5.191 -14.614 1.00 52.21 C ATOM 645 CG GLU A 212 -5.046 -6.564 -14.211 1.00 41.53 C ATOM 646 CD GLU A 212 -4.533 -7.413 -15.381 1.00 31.35 C ATOM 647 OE1 GLU A 212 -3.412 -7.169 -15.875 1.00 43.43 O ATOM 648 OE2 GLU A 212 -5.211 -8.398 -15.764 1.00 24.25 O1- ATOM 0 H GLU A 212 -5.872 -2.909 -14.750 1.00 61.43 H new ATOM 0 HA GLU A 212 -7.192 -4.972 -13.190 1.00 71.32 H new ATOM 0 HB2 GLU A 212 -6.240 -5.293 -15.454 1.00 52.21 H new ATOM 0 HB3 GLU A 212 -4.715 -4.585 -14.959 1.00 52.21 H new ATOM 0 HG2 GLU A 212 -4.242 -6.443 -13.484 1.00 41.53 H new ATOM 0 HG3 GLU A 212 -5.850 -7.103 -13.710 1.00 41.53 H new ATOM 655 N LEU A 213 -4.755 -3.345 -11.874 1.00 24.44 N ATOM 656 CA LEU A 213 -3.835 -3.150 -10.764 1.00 44.23 C ATOM 657 C LEU A 213 -4.092 -1.826 -10.056 1.00 32.50 C ATOM 658 O LEU A 213 -3.235 -0.934 -10.011 1.00 52.31 O ATOM 659 CB LEU A 213 -2.351 -3.355 -11.139 1.00 53.53 C ATOM 660 CG LEU A 213 -1.823 -2.502 -12.309 1.00 40.33 C ATOM 661 CD1 LEU A 213 -0.316 -2.268 -12.177 1.00 1.01 C ATOM 662 CD2 LEU A 213 -2.084 -3.192 -13.649 1.00 32.21 C ATOM 0 H LEU A 213 -4.820 -2.516 -12.465 1.00 24.44 H new ATOM 0 HA LEU A 213 -4.046 -3.946 -10.049 1.00 44.23 H new ATOM 0 HB2 LEU A 213 -1.743 -3.145 -10.259 1.00 53.53 H new ATOM 0 HB3 LEU A 213 -2.202 -4.406 -11.386 1.00 53.53 H new ATOM 0 HG LEU A 213 -2.350 -1.549 -12.275 1.00 40.33 H new ATOM 0 HD11 LEU A 213 0.033 -1.664 -13.014 1.00 1.01 H new ATOM 0 HD12 LEU A 213 -0.109 -1.747 -11.242 1.00 1.01 H new ATOM 0 HD13 LEU A 213 0.203 -3.227 -12.180 1.00 1.01 H new ATOM 0 HD21 LEU A 213 -1.702 -2.570 -14.459 1.00 32.21 H new ATOM 0 HD22 LEU A 213 -1.580 -4.158 -13.665 1.00 32.21 H new ATOM 0 HD23 LEU A 213 -3.156 -3.340 -13.779 1.00 32.21 H new ATOM 674 N MET A 214 -5.261 -1.747 -9.429 1.00 0.24 N ATOM 675 CA MET A 214 -5.601 -0.695 -8.495 1.00 32.05 C ATOM 676 C MET A 214 -6.707 -1.144 -7.548 1.00 23.33 C ATOM 677 O MET A 214 -7.624 -1.847 -7.979 1.00 53.34 O ATOM 678 CB MET A 214 -5.981 0.584 -9.252 1.00 13.22 C ATOM 679 CG MET A 214 -6.979 0.397 -10.417 1.00 41.51 C ATOM 680 SD MET A 214 -8.738 0.134 -10.042 1.00 21.51 S ATOM 681 CE MET A 214 -9.180 1.720 -9.284 1.00 63.42 C ATOM 0 H MET A 214 -6.008 -2.428 -9.563 1.00 0.24 H new ATOM 0 HA MET A 214 -4.727 -0.473 -7.883 1.00 32.05 H new ATOM 0 HB2 MET A 214 -6.407 1.292 -8.542 1.00 13.22 H new ATOM 0 HB3 MET A 214 -5.071 1.036 -9.646 1.00 13.22 H new ATOM 0 HG2 MET A 214 -6.907 1.278 -11.055 1.00 41.51 H new ATOM 0 HG3 MET A 214 -6.638 -0.453 -11.008 1.00 41.51 H new ATOM 0 HE1 MET A 214 -10.143 1.627 -8.782 1.00 63.42 H new ATOM 0 HE2 MET A 214 -8.417 2.001 -8.558 1.00 63.42 H new ATOM 0 HE3 MET A 214 -9.246 2.486 -10.056 1.00 63.42 H new ATOM 691 N LEU A 215 -6.627 -0.752 -6.269 1.00 34.21 N ATOM 692 CA LEU A 215 -7.713 -0.944 -5.313 1.00 73.12 C ATOM 693 C LEU A 215 -8.967 -0.327 -5.883 1.00 63.53 C ATOM 694 O LEU A 215 -8.937 0.772 -6.422 1.00 4.22 O ATOM 695 CB LEU A 215 -7.387 -0.356 -3.927 1.00 11.32 C ATOM 696 CG LEU A 215 -8.595 -0.144 -2.973 1.00 5.51 C ATOM 697 CD1 LEU A 215 -8.165 -0.270 -1.507 1.00 20.01 C ATOM 698 CD2 LEU A 215 -9.287 1.224 -3.115 1.00 75.40 C ATOM 0 H LEU A 215 -5.806 -0.294 -5.874 1.00 34.21 H new ATOM 0 HA LEU A 215 -7.858 -2.013 -5.159 1.00 73.12 H new ATOM 0 HB2 LEU A 215 -6.672 -1.015 -3.434 1.00 11.32 H new ATOM 0 HB3 LEU A 215 -6.890 0.604 -4.070 1.00 11.32 H new ATOM 0 HG LEU A 215 -9.301 -0.922 -3.263 1.00 5.51 H new ATOM 0 HD11 LEU A 215 -9.029 -0.117 -0.860 1.00 20.01 H new ATOM 0 HD12 LEU A 215 -7.752 -1.264 -1.333 1.00 20.01 H new ATOM 0 HD13 LEU A 215 -7.408 0.481 -1.284 1.00 20.01 H new ATOM 0 HD21 LEU A 215 -10.118 1.286 -2.412 1.00 75.40 H new ATOM 0 HD22 LEU A 215 -8.571 2.018 -2.901 1.00 75.40 H new ATOM 0 HD23 LEU A 215 -9.662 1.338 -4.132 1.00 75.40 H new ATOM 710 N GLU A 216 -10.076 -1.032 -5.706 1.00 42.34 N ATOM 711 CA GLU A 216 -11.326 -0.686 -6.358 1.00 21.22 C ATOM 712 C GLU A 216 -12.534 -0.740 -5.421 1.00 61.20 C ATOM 713 O GLU A 216 -13.625 -0.306 -5.782 1.00 11.33 O ATOM 714 CB GLU A 216 -11.403 -1.570 -7.619 1.00 25.21 C ATOM 715 CG GLU A 216 -12.799 -1.863 -8.163 1.00 54.02 C ATOM 716 CD GLU A 216 -12.754 -2.344 -9.612 1.00 1.13 C ATOM 717 OE1 GLU A 216 -11.996 -3.291 -9.932 1.00 13.22 O ATOM 718 OE2 GLU A 216 -13.442 -1.722 -10.459 1.00 44.35 O1- ATOM 0 H GLU A 216 -10.132 -1.857 -5.108 1.00 42.34 H new ATOM 0 HA GLU A 216 -11.353 0.361 -6.659 1.00 21.22 H new ATOM 0 HB2 GLU A 216 -10.824 -1.090 -8.408 1.00 25.21 H new ATOM 0 HB3 GLU A 216 -10.916 -2.520 -7.399 1.00 25.21 H new ATOM 0 HG2 GLU A 216 -13.279 -2.621 -7.543 1.00 54.02 H new ATOM 0 HG3 GLU A 216 -13.411 -0.963 -8.098 1.00 54.02 H new ATOM 725 N LYS A 217 -12.328 -1.193 -4.189 1.00 71.23 N ATOM 726 CA LYS A 217 -13.280 -1.343 -3.086 1.00 24.12 C ATOM 727 C LYS A 217 -12.508 -2.033 -1.964 1.00 41.53 C ATOM 728 O LYS A 217 -11.358 -2.450 -2.153 1.00 65.12 O ATOM 729 CB LYS A 217 -14.524 -2.166 -3.506 1.00 63.53 C ATOM 730 CG LYS A 217 -15.768 -1.300 -3.778 1.00 33.31 C ATOM 731 CD LYS A 217 -16.791 -2.044 -4.647 1.00 21.23 C ATOM 732 CE LYS A 217 -17.880 -1.128 -5.216 1.00 11.23 C ATOM 733 NZ LYS A 217 -17.373 -0.277 -6.312 1.00 34.23 N1+ ATOM 0 H LYS A 217 -11.396 -1.496 -3.906 1.00 71.23 H new ATOM 0 HA LYS A 217 -13.668 -0.375 -2.768 1.00 24.12 H new ATOM 0 HB2 LYS A 217 -14.286 -2.738 -4.403 1.00 63.53 H new ATOM 0 HB3 LYS A 217 -14.756 -2.886 -2.721 1.00 63.53 H new ATOM 0 HG2 LYS A 217 -16.230 -1.017 -2.832 1.00 33.31 H new ATOM 0 HG3 LYS A 217 -15.469 -0.377 -4.275 1.00 33.31 H new ATOM 0 HD2 LYS A 217 -16.271 -2.534 -5.470 1.00 21.23 H new ATOM 0 HD3 LYS A 217 -17.259 -2.829 -4.054 1.00 21.23 H new ATOM 0 HE2 LYS A 217 -18.709 -1.734 -5.582 1.00 11.23 H new ATOM 0 HE3 LYS A 217 -18.274 -0.496 -4.420 1.00 11.23 H new ATOM 0 HZ1 LYS A 217 -18.150 0.302 -6.690 1.00 34.23 H new ATOM 0 HZ2 LYS A 217 -16.622 0.345 -5.950 1.00 34.23 H new ATOM 0 HZ3 LYS A 217 -16.989 -0.878 -7.069 1.00 34.23 H new ATOM 747 N CYS A 218 -13.123 -2.198 -0.804 1.00 72.34 N ATOM 748 CA CYS A 218 -12.584 -2.952 0.303 1.00 52.25 C ATOM 749 C CYS A 218 -13.788 -3.400 1.149 1.00 53.24 C ATOM 750 O CYS A 218 -14.130 -2.725 2.126 1.00 3.44 O ATOM 751 CB CYS A 218 -11.563 -2.054 1.007 1.00 41.44 C ATOM 752 SG CYS A 218 -10.638 -2.940 2.287 1.00 24.22 S ATOM 0 H CYS A 218 -14.039 -1.796 -0.607 1.00 72.34 H new ATOM 0 HA CYS A 218 -12.042 -3.858 0.034 1.00 52.25 H new ATOM 0 HB2 CYS A 218 -10.867 -1.652 0.271 1.00 41.44 H new ATOM 0 HB3 CYS A 218 -12.078 -1.204 1.456 1.00 41.44 H new ATOM 0 HG CYS A 218 -11.470 -3.501 3.114 1.00 24.22 H new ATOM 758 N PRO A 219 -14.483 -4.480 0.754 1.00 2.24 N ATOM 759 CA PRO A 219 -15.717 -4.956 1.386 1.00 23.03 C ATOM 760 C PRO A 219 -15.489 -5.665 2.726 1.00 53.55 C ATOM 761 O PRO A 219 -16.441 -6.113 3.361 1.00 51.44 O ATOM 762 CB PRO A 219 -16.359 -5.897 0.369 1.00 13.32 C ATOM 763 CG PRO A 219 -15.156 -6.478 -0.369 1.00 34.20 C ATOM 764 CD PRO A 219 -14.195 -5.296 -0.428 1.00 63.34 C ATOM 0 HA PRO A 219 -16.357 -4.110 1.636 1.00 23.03 H new ATOM 0 HB2 PRO A 219 -16.948 -6.675 0.855 1.00 13.32 H new ATOM 0 HB3 PRO A 219 -17.028 -5.365 -0.307 1.00 13.32 H new ATOM 0 HG2 PRO A 219 -14.724 -7.325 0.165 1.00 34.20 H new ATOM 0 HG3 PRO A 219 -15.424 -6.832 -1.365 1.00 34.20 H new ATOM 0 HD2 PRO A 219 -13.159 -5.635 -0.425 1.00 63.34 H new ATOM 0 HD3 PRO A 219 -14.339 -4.721 -1.343 1.00 63.34 H new ATOM 772 N PHE A 220 -14.229 -5.856 3.119 1.00 52.33 N ATOM 773 CA PHE A 220 -13.819 -6.450 4.377 1.00 13.33 C ATOM 774 C PHE A 220 -12.990 -5.426 5.155 1.00 31.11 C ATOM 775 O PHE A 220 -12.460 -4.486 4.552 1.00 61.21 O ATOM 776 CB PHE A 220 -13.016 -7.738 4.102 1.00 12.53 C ATOM 777 CG PHE A 220 -13.615 -9.041 4.594 1.00 53.04 C ATOM 778 CD1 PHE A 220 -15.001 -9.258 4.674 1.00 11.32 C ATOM 779 CD2 PHE A 220 -12.733 -10.047 5.028 1.00 43.24 C ATOM 780 CE1 PHE A 220 -15.488 -10.439 5.261 1.00 35.04 C ATOM 781 CE2 PHE A 220 -13.217 -11.221 5.627 1.00 24.41 C ATOM 782 CZ PHE A 220 -14.601 -11.410 5.756 1.00 24.35 C ATOM 0 H PHE A 220 -13.436 -5.586 2.537 1.00 52.33 H new ATOM 0 HA PHE A 220 -14.688 -6.722 4.976 1.00 13.33 H new ATOM 0 HB2 PHE A 220 -12.865 -7.820 3.026 1.00 12.53 H new ATOM 0 HB3 PHE A 220 -12.031 -7.626 4.554 1.00 12.53 H new ATOM 0 HD1 PHE A 220 -15.689 -8.521 4.286 1.00 11.32 H new ATOM 0 HD2 PHE A 220 -11.669 -9.915 4.899 1.00 43.24 H new ATOM 0 HE1 PHE A 220 -16.553 -10.601 5.332 1.00 35.04 H new ATOM 0 HE2 PHE A 220 -12.529 -11.973 5.986 1.00 24.41 H new ATOM 0 HZ PHE A 220 -14.984 -12.299 6.234 1.00 24.35 H new ATOM 792 N PRO A 221 -12.819 -5.614 6.472 1.00 52.42 N ATOM 793 CA PRO A 221 -11.898 -4.810 7.250 1.00 64.02 C ATOM 794 C PRO A 221 -10.469 -5.076 6.775 1.00 52.52 C ATOM 795 O PRO A 221 -10.103 -6.211 6.452 1.00 61.24 O ATOM 796 CB PRO A 221 -12.108 -5.229 8.709 1.00 3.32 C ATOM 797 CG PRO A 221 -12.599 -6.669 8.590 1.00 31.34 C ATOM 798 CD PRO A 221 -13.403 -6.662 7.295 1.00 13.23 C ATOM 0 HA PRO A 221 -12.071 -3.740 7.138 1.00 64.02 H new ATOM 0 HB2 PRO A 221 -11.184 -5.165 9.284 1.00 3.32 H new ATOM 0 HB3 PRO A 221 -12.839 -4.594 9.209 1.00 3.32 H new ATOM 0 HG2 PRO A 221 -11.769 -7.374 8.544 1.00 31.34 H new ATOM 0 HG3 PRO A 221 -13.214 -6.956 9.443 1.00 31.34 H new ATOM 0 HD2 PRO A 221 -13.347 -7.629 6.795 1.00 13.23 H new ATOM 0 HD3 PRO A 221 -14.457 -6.464 7.490 1.00 13.23 H new ATOM 806 N ALA A 222 -9.648 -4.026 6.788 1.00 15.10 N ATOM 807 CA ALA A 222 -8.207 -4.170 6.710 1.00 33.50 C ATOM 808 C ALA A 222 -7.774 -5.034 7.888 1.00 45.31 C ATOM 809 O ALA A 222 -8.205 -4.808 9.020 1.00 5.14 O ATOM 810 CB ALA A 222 -7.527 -2.796 6.738 1.00 54.51 C ATOM 0 H ALA A 222 -9.968 -3.060 6.853 1.00 15.10 H new ATOM 0 HA ALA A 222 -7.912 -4.644 5.774 1.00 33.50 H new ATOM 0 HB1 ALA A 222 -6.446 -2.924 6.679 1.00 54.51 H new ATOM 0 HB2 ALA A 222 -7.869 -2.203 5.890 1.00 54.51 H new ATOM 0 HB3 ALA A 222 -7.781 -2.283 7.666 1.00 54.51 H new ATOM 816 N GLY A 223 -6.947 -6.034 7.608 1.00 72.54 N ATOM 817 CA GLY A 223 -6.619 -7.090 8.540 1.00 54.34 C ATOM 818 C GLY A 223 -7.714 -8.144 8.537 1.00 13.20 C ATOM 819 O GLY A 223 -8.373 -8.384 9.548 1.00 13.51 O ATOM 0 H GLY A 223 -6.479 -6.130 6.707 1.00 72.54 H new ATOM 0 HA2 GLY A 223 -5.666 -7.543 8.268 1.00 54.34 H new ATOM 0 HA3 GLY A 223 -6.502 -6.678 9.542 1.00 54.34 H new ATOM 823 N SER A 224 -7.898 -8.793 7.388 1.00 12.10 N ATOM 824 CA SER A 224 -8.605 -10.053 7.276 1.00 32.34 C ATOM 825 C SER A 224 -8.081 -10.826 6.054 1.00 62.33 C ATOM 826 O SER A 224 -7.227 -10.347 5.302 1.00 52.54 O ATOM 827 CB SER A 224 -10.126 -9.812 7.245 1.00 2.20 C ATOM 828 OG SER A 224 -10.693 -9.941 8.539 1.00 61.34 O ATOM 0 H SER A 224 -7.550 -8.444 6.495 1.00 12.10 H new ATOM 0 HA SER A 224 -8.416 -10.674 8.151 1.00 32.34 H new ATOM 0 HB2 SER A 224 -10.331 -8.816 6.853 1.00 2.20 H new ATOM 0 HB3 SER A 224 -10.596 -10.524 6.567 1.00 2.20 H new ATOM 0 HG SER A 224 -10.127 -9.478 9.192 1.00 61.34 H new ATOM 834 N ASP A 225 -8.551 -12.058 5.885 1.00 61.25 N ATOM 835 CA ASP A 225 -7.963 -13.098 5.040 1.00 53.22 C ATOM 836 C ASP A 225 -8.342 -12.892 3.585 1.00 11.51 C ATOM 837 O ASP A 225 -7.480 -12.640 2.738 1.00 20.21 O ATOM 838 CB ASP A 225 -8.490 -14.443 5.564 1.00 65.42 C ATOM 839 CG ASP A 225 -7.800 -15.664 4.968 1.00 1.12 C ATOM 840 OD1 ASP A 225 -7.828 -15.876 3.738 1.00 40.32 O ATOM 841 OD2 ASP A 225 -7.357 -16.521 5.764 1.00 54.24 O1- ATOM 0 H ASP A 225 -9.397 -12.377 6.358 1.00 61.25 H new ATOM 0 HA ASP A 225 -6.874 -13.066 5.084 1.00 53.22 H new ATOM 0 HB2 ASP A 225 -8.374 -14.468 6.648 1.00 65.42 H new ATOM 0 HB3 ASP A 225 -9.558 -14.507 5.356 1.00 65.42 H new ATOM 846 N LEU A 226 -9.655 -12.858 3.324 1.00 65.13 N ATOM 847 CA LEU A 226 -10.233 -12.449 2.080 1.00 13.44 C ATOM 848 C LEU A 226 -9.690 -11.086 1.729 1.00 72.23 C ATOM 849 O LEU A 226 -9.393 -10.845 0.565 1.00 44.25 O ATOM 850 CB LEU A 226 -11.754 -12.447 2.291 1.00 21.33 C ATOM 851 CG LEU A 226 -12.577 -11.260 1.798 1.00 42.04 C ATOM 852 CD1 LEU A 226 -12.416 -10.942 0.310 1.00 2.14 C ATOM 853 CD2 LEU A 226 -14.063 -11.499 2.052 1.00 31.03 C ATOM 0 H LEU A 226 -10.354 -13.130 4.015 1.00 65.13 H new ATOM 0 HA LEU A 226 -9.990 -13.113 1.250 1.00 13.44 H new ATOM 0 HB2 LEU A 226 -12.152 -13.342 1.813 1.00 21.33 H new ATOM 0 HB3 LEU A 226 -11.936 -12.550 3.361 1.00 21.33 H new ATOM 0 HG LEU A 226 -12.192 -10.411 2.363 1.00 42.04 H new ATOM 0 HD11 LEU A 226 -13.038 -10.085 0.052 1.00 2.14 H new ATOM 0 HD12 LEU A 226 -11.372 -10.710 0.098 1.00 2.14 H new ATOM 0 HD13 LEU A 226 -12.723 -11.804 -0.282 1.00 2.14 H new ATOM 0 HD21 LEU A 226 -14.635 -10.643 1.695 1.00 31.03 H new ATOM 0 HD22 LEU A 226 -14.383 -12.396 1.522 1.00 31.03 H new ATOM 0 HD23 LEU A 226 -14.233 -11.629 3.121 1.00 31.03 H new ATOM 865 N ALA A 227 -9.602 -10.210 2.732 1.00 33.13 N ATOM 866 CA ALA A 227 -9.369 -8.805 2.521 1.00 31.51 C ATOM 867 C ALA A 227 -8.050 -8.610 1.777 1.00 61.32 C ATOM 868 O ALA A 227 -8.004 -7.955 0.732 1.00 1.22 O ATOM 869 CB ALA A 227 -9.358 -8.069 3.861 1.00 20.11 C ATOM 0 H ALA A 227 -9.693 -10.471 3.714 1.00 33.13 H new ATOM 0 HA ALA A 227 -10.173 -8.389 1.914 1.00 31.51 H new ATOM 0 HB1 ALA A 227 -9.181 -7.007 3.691 1.00 20.11 H new ATOM 0 HB2 ALA A 227 -10.319 -8.202 4.357 1.00 20.11 H new ATOM 0 HB3 ALA A 227 -8.566 -8.473 4.491 1.00 20.11 H new ATOM 875 N GLN A 228 -7.010 -9.224 2.345 1.00 2.11 N ATOM 876 CA GLN A 228 -5.666 -9.295 1.816 1.00 62.54 C ATOM 877 C GLN A 228 -5.662 -10.011 0.463 1.00 60.13 C ATOM 878 O GLN A 228 -5.282 -9.407 -0.541 1.00 43.54 O ATOM 879 CB GLN A 228 -4.773 -9.977 2.870 1.00 74.33 C ATOM 880 CG GLN A 228 -4.489 -9.087 4.091 1.00 13.33 C ATOM 881 CD GLN A 228 -3.518 -7.952 3.786 1.00 64.54 C ATOM 882 OE1 GLN A 228 -3.902 -6.939 3.205 1.00 5.12 O ATOM 883 NE2 GLN A 228 -2.274 -8.058 4.209 1.00 5.01 N ATOM 0 H GLN A 228 -7.099 -9.710 3.237 1.00 2.11 H new ATOM 0 HA GLN A 228 -5.265 -8.300 1.624 1.00 62.54 H new ATOM 0 HB2 GLN A 228 -5.253 -10.897 3.203 1.00 74.33 H new ATOM 0 HB3 GLN A 228 -3.828 -10.260 2.407 1.00 74.33 H new ATOM 0 HG2 GLN A 228 -5.427 -8.668 4.454 1.00 13.33 H new ATOM 0 HG3 GLN A 228 -4.082 -9.701 4.894 1.00 13.33 H new ATOM 0 HE21 GLN A 228 -1.969 -8.904 4.690 1.00 5.01 H new ATOM 0 HE22 GLN A 228 -1.616 -7.294 4.056 1.00 5.01 H new ATOM 892 N LYS A 229 -6.147 -11.257 0.400 1.00 14.24 N ATOM 893 CA LYS A 229 -6.114 -12.064 -0.825 1.00 61.11 C ATOM 894 C LYS A 229 -6.794 -11.362 -1.999 1.00 50.14 C ATOM 895 O LYS A 229 -6.314 -11.468 -3.130 1.00 20.33 O ATOM 896 CB LYS A 229 -6.784 -13.427 -0.572 1.00 43.15 C ATOM 897 CG LYS A 229 -5.800 -14.471 -0.032 1.00 65.30 C ATOM 898 CD LYS A 229 -6.554 -15.531 0.767 1.00 2.11 C ATOM 899 CE LYS A 229 -5.588 -16.583 1.314 1.00 22.04 C ATOM 900 NZ LYS A 229 -6.295 -17.564 2.158 1.00 4.21 N1+ ATOM 0 H LYS A 229 -6.573 -11.733 1.195 1.00 14.24 H new ATOM 0 HA LYS A 229 -5.067 -12.208 -1.092 1.00 61.11 H new ATOM 0 HB2 LYS A 229 -7.601 -13.301 0.138 1.00 43.15 H new ATOM 0 HB3 LYS A 229 -7.222 -13.791 -1.501 1.00 43.15 H new ATOM 0 HG2 LYS A 229 -5.263 -14.939 -0.857 1.00 65.30 H new ATOM 0 HG3 LYS A 229 -5.055 -13.988 0.600 1.00 65.30 H new ATOM 0 HD2 LYS A 229 -7.091 -15.060 1.590 1.00 2.11 H new ATOM 0 HD3 LYS A 229 -7.300 -16.010 0.133 1.00 2.11 H new ATOM 0 HE2 LYS A 229 -5.098 -17.096 0.487 1.00 22.04 H new ATOM 0 HE3 LYS A 229 -4.805 -16.095 1.895 1.00 22.04 H new ATOM 0 HZ1 LYS A 229 -5.609 -18.236 2.557 1.00 4.21 H new ATOM 0 HZ2 LYS A 229 -6.784 -17.069 2.930 1.00 4.21 H new ATOM 0 HZ3 LYS A 229 -6.991 -18.080 1.582 1.00 4.21 H new ATOM 914 N TRP A 230 -7.939 -10.714 -1.778 1.00 13.20 N ATOM 915 CA TRP A 230 -8.637 -9.992 -2.827 1.00 72.33 C ATOM 916 C TRP A 230 -7.853 -8.752 -3.244 1.00 31.00 C ATOM 917 O TRP A 230 -7.584 -8.564 -4.429 1.00 23.12 O ATOM 918 CB TRP A 230 -10.059 -9.630 -2.386 1.00 34.15 C ATOM 919 CG TRP A 230 -10.895 -9.161 -3.530 1.00 61.20 C ATOM 920 CD1 TRP A 230 -11.246 -9.948 -4.571 1.00 14.12 C ATOM 921 CD2 TRP A 230 -11.401 -7.830 -3.854 1.00 53.24 C ATOM 922 NE1 TRP A 230 -11.919 -9.213 -5.521 1.00 24.03 N ATOM 923 CE2 TRP A 230 -12.049 -7.899 -5.127 1.00 13.24 C ATOM 924 CE3 TRP A 230 -11.368 -6.573 -3.219 1.00 35.03 C ATOM 925 CZ2 TRP A 230 -12.644 -6.778 -5.726 1.00 2.33 C ATOM 926 CZ3 TRP A 230 -12.023 -5.462 -3.784 1.00 33.44 C ATOM 927 CH2 TRP A 230 -12.645 -5.553 -5.040 1.00 4.35 C ATOM 0 H TRP A 230 -8.401 -10.679 -0.870 1.00 13.20 H new ATOM 0 HA TRP A 230 -8.716 -10.644 -3.697 1.00 72.33 H new ATOM 0 HB2 TRP A 230 -10.529 -10.499 -1.926 1.00 34.15 H new ATOM 0 HB3 TRP A 230 -10.016 -8.851 -1.625 1.00 34.15 H new ATOM 0 HD1 TRP A 230 -11.029 -11.003 -4.647 1.00 14.12 H new ATOM 0 HE1 TRP A 230 -12.274 -9.591 -6.399 1.00 24.03 H new ATOM 0 HE3 TRP A 230 -10.834 -6.460 -2.287 1.00 35.03 H new ATOM 0 HZ2 TRP A 230 -13.096 -6.857 -6.704 1.00 2.33 H new ATOM 0 HZ3 TRP A 230 -12.047 -4.527 -3.244 1.00 33.44 H new ATOM 0 HH2 TRP A 230 -13.121 -4.687 -5.475 1.00 4.35 H new ATOM 938 N HIS A 231 -7.468 -7.917 -2.277 1.00 41.52 N ATOM 939 CA HIS A 231 -6.758 -6.673 -2.537 1.00 44.11 C ATOM 940 C HIS A 231 -5.464 -6.918 -3.317 1.00 62.42 C ATOM 941 O HIS A 231 -5.112 -6.114 -4.177 1.00 2.10 O ATOM 942 CB HIS A 231 -6.462 -5.978 -1.206 1.00 73.30 C ATOM 943 CG HIS A 231 -5.737 -4.665 -1.326 1.00 1.23 C ATOM 944 ND1 HIS A 231 -4.590 -4.318 -0.647 1.00 54.43 N ATOM 945 CD2 HIS A 231 -6.146 -3.569 -2.038 1.00 54.44 C ATOM 946 CE1 HIS A 231 -4.309 -3.041 -0.942 1.00 44.02 C ATOM 947 NE2 HIS A 231 -5.243 -2.538 -1.764 1.00 72.12 N ATOM 0 H HIS A 231 -7.643 -8.090 -1.287 1.00 41.52 H new ATOM 0 HA HIS A 231 -7.388 -6.032 -3.153 1.00 44.11 H new ATOM 0 HB2 HIS A 231 -7.403 -5.810 -0.683 1.00 73.30 H new ATOM 0 HB3 HIS A 231 -5.868 -6.649 -0.586 1.00 73.30 H new ATOM 0 HD1 HIS A 231 -4.050 -4.925 -0.030 1.00 54.43 H new ATOM 0 HD2 HIS A 231 -7.006 -3.512 -2.689 1.00 54.44 H new ATOM 0 HE1 HIS A 231 -3.454 -2.495 -0.571 1.00 44.02 H new ATOM 955 N LEU A 232 -4.764 -8.022 -3.044 1.00 43.21 N ATOM 956 CA LEU A 232 -3.563 -8.435 -3.743 1.00 54.14 C ATOM 957 C LEU A 232 -3.855 -8.678 -5.222 1.00 63.01 C ATOM 958 O LEU A 232 -3.184 -8.109 -6.076 1.00 33.14 O ATOM 959 CB LEU A 232 -3.033 -9.705 -3.065 1.00 63.34 C ATOM 960 CG LEU A 232 -2.041 -9.442 -1.921 1.00 62.14 C ATOM 961 CD1 LEU A 232 -1.847 -10.728 -1.108 1.00 23.25 C ATOM 962 CD2 LEU A 232 -0.674 -8.985 -2.451 1.00 64.32 C ATOM 0 H LEU A 232 -5.034 -8.669 -2.303 1.00 43.21 H new ATOM 0 HA LEU A 232 -2.809 -7.650 -3.693 1.00 54.14 H new ATOM 0 HB2 LEU A 232 -3.877 -10.274 -2.675 1.00 63.34 H new ATOM 0 HB3 LEU A 232 -2.547 -10.328 -3.816 1.00 63.34 H new ATOM 0 HG LEU A 232 -2.454 -8.649 -1.298 1.00 62.14 H new ATOM 0 HD11 LEU A 232 -1.144 -10.543 -0.296 1.00 23.25 H new ATOM 0 HD12 LEU A 232 -2.804 -11.044 -0.694 1.00 23.25 H new ATOM 0 HD13 LEU A 232 -1.455 -11.512 -1.756 1.00 23.25 H new ATOM 0 HD21 LEU A 232 0.001 -8.809 -1.613 1.00 64.32 H new ATOM 0 HD22 LEU A 232 -0.257 -9.758 -3.096 1.00 64.32 H new ATOM 0 HD23 LEU A 232 -0.794 -8.063 -3.020 1.00 64.32 H new ATOM 974 N ILE A 233 -4.856 -9.497 -5.559 1.00 20.31 N ATOM 975 CA ILE A 233 -5.190 -9.743 -6.967 1.00 12.23 C ATOM 976 C ILE A 233 -5.716 -8.448 -7.619 1.00 33.40 C ATOM 977 O ILE A 233 -5.692 -8.297 -8.842 1.00 73.01 O ATOM 978 CB ILE A 233 -6.100 -10.990 -7.111 1.00 31.24 C ATOM 979 CG1 ILE A 233 -5.364 -12.201 -6.480 1.00 41.21 C ATOM 980 CG2 ILE A 233 -6.433 -11.292 -8.586 1.00 11.11 C ATOM 981 CD1 ILE A 233 -6.055 -13.553 -6.656 1.00 1.50 C ATOM 0 H ILE A 233 -5.442 -9.995 -4.888 1.00 20.31 H new ATOM 0 HA ILE A 233 -4.296 -10.002 -7.534 1.00 12.23 H new ATOM 0 HB ILE A 233 -7.044 -10.798 -6.601 1.00 31.24 H new ATOM 0 HG12 ILE A 233 -4.366 -12.263 -6.913 1.00 41.21 H new ATOM 0 HG13 ILE A 233 -5.238 -12.013 -5.414 1.00 41.21 H new ATOM 0 HG21 ILE A 233 -7.072 -12.173 -8.642 1.00 11.11 H new ATOM 0 HG22 ILE A 233 -6.952 -10.439 -9.024 1.00 11.11 H new ATOM 0 HG23 ILE A 233 -5.511 -11.478 -9.137 1.00 11.11 H new ATOM 0 HD11 ILE A 233 -5.459 -14.331 -6.179 1.00 1.50 H new ATOM 0 HD12 ILE A 233 -7.043 -13.519 -6.196 1.00 1.50 H new ATOM 0 HD13 ILE A 233 -6.157 -13.774 -7.718 1.00 1.50 H new ATOM 993 N LYS A 234 -6.193 -7.480 -6.826 1.00 35.12 N ATOM 994 CA LYS A 234 -6.741 -6.234 -7.330 1.00 65.43 C ATOM 995 C LYS A 234 -5.661 -5.171 -7.568 1.00 71.04 C ATOM 996 O LYS A 234 -5.916 -4.274 -8.362 1.00 11.24 O ATOM 997 CB LYS A 234 -7.864 -5.784 -6.375 1.00 41.01 C ATOM 998 CG LYS A 234 -8.877 -4.797 -6.966 1.00 40.11 C ATOM 999 CD LYS A 234 -9.515 -5.201 -8.308 1.00 52.01 C ATOM 1000 CE LYS A 234 -8.769 -4.721 -9.567 1.00 24.13 C ATOM 1001 NZ LYS A 234 -9.082 -3.322 -9.922 1.00 64.53 N1+ ATOM 0 H LYS A 234 -6.205 -7.550 -5.808 1.00 35.12 H new ATOM 0 HA LYS A 234 -7.171 -6.388 -8.320 1.00 65.43 H new ATOM 0 HB2 LYS A 234 -8.402 -6.668 -6.033 1.00 41.01 H new ATOM 0 HB3 LYS A 234 -7.409 -5.328 -5.496 1.00 41.01 H new ATOM 0 HG2 LYS A 234 -9.675 -4.648 -6.238 1.00 40.11 H new ATOM 0 HG3 LYS A 234 -8.382 -3.835 -7.098 1.00 40.11 H new ATOM 0 HD2 LYS A 234 -9.589 -6.288 -8.343 1.00 52.01 H new ATOM 0 HD3 LYS A 234 -10.532 -4.811 -8.339 1.00 52.01 H new ATOM 0 HE2 LYS A 234 -7.695 -4.818 -9.406 1.00 24.13 H new ATOM 0 HE3 LYS A 234 -9.026 -5.369 -10.405 1.00 24.13 H new ATOM 0 HZ1 LYS A 234 -8.706 -3.111 -10.868 1.00 64.53 H new ATOM 0 HZ2 LYS A 234 -10.113 -3.186 -9.921 1.00 64.53 H new ATOM 0 HZ3 LYS A 234 -8.648 -2.682 -9.227 1.00 64.53 H new ATOM 1015 N GLN A 235 -4.479 -5.230 -6.945 1.00 72.02 N ATOM 1016 CA GLN A 235 -3.366 -4.316 -7.188 1.00 11.35 C ATOM 1017 C GLN A 235 -2.079 -4.992 -6.710 1.00 33.24 C ATOM 1018 O GLN A 235 -2.091 -5.609 -5.648 1.00 30.21 O ATOM 1019 CB GLN A 235 -3.624 -2.992 -6.460 1.00 22.32 C ATOM 1020 CG GLN A 235 -2.497 -1.990 -6.746 1.00 50.13 C ATOM 1021 CD GLN A 235 -2.674 -0.573 -6.196 1.00 24.00 C ATOM 1022 OE1 GLN A 235 -3.739 -0.152 -5.752 1.00 23.03 O ATOM 1023 NE2 GLN A 235 -1.634 0.236 -6.287 1.00 43.20 N ATOM 0 H GLN A 235 -4.268 -5.935 -6.239 1.00 72.02 H new ATOM 0 HA GLN A 235 -3.267 -4.089 -8.249 1.00 11.35 H new ATOM 0 HB2 GLN A 235 -4.579 -2.575 -6.780 1.00 22.32 H new ATOM 0 HB3 GLN A 235 -3.697 -3.169 -5.387 1.00 22.32 H new ATOM 0 HG2 GLN A 235 -1.570 -2.397 -6.342 1.00 50.13 H new ATOM 0 HG3 GLN A 235 -2.370 -1.921 -7.826 1.00 50.13 H new ATOM 0 HE21 GLN A 235 -0.748 -0.111 -6.655 1.00 43.20 H new ATOM 0 HE22 GLN A 235 -1.716 1.208 -5.989 1.00 43.20 H new ATOM 1032 N HIS A 236 -0.962 -4.803 -7.418 1.00 22.23 N ATOM 1033 CA HIS A 236 0.335 -5.405 -7.101 1.00 73.33 C ATOM 1034 C HIS A 236 0.299 -6.935 -7.247 1.00 63.54 C ATOM 1035 O HIS A 236 0.842 -7.684 -6.435 1.00 34.42 O ATOM 1036 CB HIS A 236 0.875 -4.892 -5.752 1.00 2.44 C ATOM 1037 CG HIS A 236 2.372 -5.010 -5.586 1.00 4.45 C ATOM 1038 ND1 HIS A 236 3.213 -5.876 -6.248 1.00 31.54 N ATOM 1039 CD2 HIS A 236 3.142 -4.257 -4.744 1.00 72.22 C ATOM 1040 CE1 HIS A 236 4.462 -5.644 -5.819 1.00 31.30 C ATOM 1041 NE2 HIS A 236 4.473 -4.672 -4.891 1.00 63.23 N ATOM 0 H HIS A 236 -0.935 -4.212 -8.249 1.00 22.23 H new ATOM 0 HA HIS A 236 1.066 -5.076 -7.839 1.00 73.33 H new ATOM 0 HB2 HIS A 236 0.592 -3.846 -5.637 1.00 2.44 H new ATOM 0 HB3 HIS A 236 0.389 -5.444 -4.948 1.00 2.44 H new ATOM 0 HD2 HIS A 236 2.788 -3.480 -4.083 1.00 72.22 H new ATOM 0 HE1 HIS A 236 5.339 -6.167 -6.171 1.00 31.30 H new ATOM 0 HE2 HIS A 236 5.286 -4.309 -4.394 1.00 63.23 H new ATOM 1049 N THR A 237 -0.306 -7.392 -8.340 1.00 74.12 N ATOM 1050 CA THR A 237 -0.137 -8.736 -8.887 1.00 64.12 C ATOM 1051 C THR A 237 0.156 -8.631 -10.390 1.00 22.14 C ATOM 1052 O THR A 237 0.207 -7.520 -10.932 1.00 63.42 O ATOM 1053 CB THR A 237 -1.380 -9.595 -8.587 1.00 1.11 C ATOM 1054 OG1 THR A 237 -2.550 -8.802 -8.591 1.00 61.40 O ATOM 1055 CG2 THR A 237 -1.250 -10.327 -7.250 1.00 50.03 C ATOM 0 H THR A 237 -0.948 -6.819 -8.887 1.00 74.12 H new ATOM 0 HA THR A 237 0.709 -9.234 -8.413 1.00 64.12 H new ATOM 0 HB THR A 237 -1.455 -10.343 -9.377 1.00 1.11 H new ATOM 0 HG1 THR A 237 -2.770 -8.539 -7.673 1.00 61.40 H new ATOM 0 HG21 THR A 237 -2.146 -10.923 -7.073 1.00 50.03 H new ATOM 0 HG22 THR A 237 -0.379 -10.981 -7.277 1.00 50.03 H new ATOM 0 HG23 THR A 237 -1.133 -9.600 -6.447 1.00 50.03 H new ATOM 1063 N ALA A 238 0.313 -9.771 -11.071 1.00 64.25 N ATOM 1064 CA ALA A 238 0.237 -9.885 -12.523 1.00 34.41 C ATOM 1065 C ALA A 238 -0.677 -11.074 -12.870 1.00 70.53 C ATOM 1066 O ALA A 238 -0.167 -12.165 -13.160 1.00 41.40 O ATOM 1067 CB ALA A 238 1.648 -10.015 -13.112 1.00 14.52 C ATOM 0 H ALA A 238 0.501 -10.661 -10.611 1.00 64.25 H new ATOM 0 HA ALA A 238 -0.197 -8.989 -12.967 1.00 34.41 H new ATOM 0 HB1 ALA A 238 1.583 -10.100 -14.197 1.00 14.52 H new ATOM 0 HB2 ALA A 238 2.234 -9.134 -12.851 1.00 14.52 H new ATOM 0 HB3 ALA A 238 2.131 -10.904 -12.707 1.00 14.52 H new ATOM 1073 N PRO A 239 -2.011 -10.922 -12.759 1.00 61.40 N ATOM 1074 CA PRO A 239 -2.960 -11.977 -13.086 1.00 14.44 C ATOM 1075 C PRO A 239 -3.023 -12.195 -14.607 1.00 74.14 C ATOM 1076 O PRO A 239 -2.526 -11.385 -15.393 1.00 42.52 O ATOM 1077 CB PRO A 239 -4.293 -11.519 -12.489 1.00 51.21 C ATOM 1078 CG PRO A 239 -4.204 -9.996 -12.540 1.00 20.31 C ATOM 1079 CD PRO A 239 -2.716 -9.706 -12.383 1.00 1.53 C ATOM 0 HA PRO A 239 -2.674 -12.945 -12.675 1.00 14.44 H new ATOM 0 HB2 PRO A 239 -5.140 -11.891 -13.066 1.00 51.21 H new ATOM 0 HB3 PRO A 239 -4.420 -11.879 -11.468 1.00 51.21 H new ATOM 0 HG2 PRO A 239 -4.589 -9.605 -13.482 1.00 20.31 H new ATOM 0 HG3 PRO A 239 -4.786 -9.536 -11.742 1.00 20.31 H new ATOM 0 HD2 PRO A 239 -2.415 -8.872 -13.018 1.00 1.53 H new ATOM 0 HD3 PRO A 239 -2.483 -9.425 -11.356 1.00 1.53 H new ATOM 1087 N VAL A 240 -3.620 -13.306 -15.039 1.00 55.30 N ATOM 1088 CA VAL A 240 -3.400 -13.880 -16.373 1.00 73.31 C ATOM 1089 C VAL A 240 -4.718 -14.070 -17.138 1.00 73.24 C ATOM 1090 O VAL A 240 -4.788 -14.785 -18.143 1.00 4.41 O ATOM 1091 CB VAL A 240 -2.516 -15.151 -16.231 1.00 1.54 C ATOM 1092 CG1 VAL A 240 -2.025 -15.717 -17.572 1.00 2.11 C ATOM 1093 CG2 VAL A 240 -1.252 -14.874 -15.392 1.00 62.34 C ATOM 0 H VAL A 240 -4.277 -13.840 -14.470 1.00 55.30 H new ATOM 0 HA VAL A 240 -2.846 -13.186 -17.005 1.00 73.31 H new ATOM 0 HB VAL A 240 -3.173 -15.874 -15.747 1.00 1.54 H new ATOM 0 HG11 VAL A 240 -1.415 -16.602 -17.392 1.00 2.11 H new ATOM 0 HG12 VAL A 240 -2.882 -15.987 -18.189 1.00 2.11 H new ATOM 0 HG13 VAL A 240 -1.429 -14.964 -18.088 1.00 2.11 H new ATOM 0 HG21 VAL A 240 -0.659 -15.786 -15.315 1.00 62.34 H new ATOM 0 HG22 VAL A 240 -0.659 -14.096 -15.873 1.00 62.34 H new ATOM 0 HG23 VAL A 240 -1.542 -14.545 -14.394 1.00 62.34 H new ATOM 1103 N SER A 241 -5.787 -13.420 -16.687 1.00 23.54 N ATOM 1104 CA SER A 241 -7.121 -13.634 -17.222 1.00 33.20 C ATOM 1105 C SER A 241 -7.873 -12.297 -17.258 1.00 22.33 C ATOM 1106 O SER A 241 -8.750 -12.080 -16.416 1.00 4.10 O ATOM 1107 CB SER A 241 -7.780 -14.747 -16.391 1.00 73.01 C ATOM 1108 OG SER A 241 -8.721 -15.485 -17.145 1.00 42.03 O ATOM 0 H SER A 241 -5.749 -12.729 -15.938 1.00 23.54 H new ATOM 0 HA SER A 241 -7.120 -13.978 -18.256 1.00 33.20 H new ATOM 0 HB2 SER A 241 -7.011 -15.420 -16.012 1.00 73.01 H new ATOM 0 HB3 SER A 241 -8.274 -14.308 -15.524 1.00 73.01 H new ATOM 0 HG SER A 241 -9.116 -16.183 -16.582 1.00 42.03 H new ATOM 1114 N PRO A 242 -7.543 -11.388 -18.201 1.00 54.33 N ATOM 1115 CA PRO A 242 -8.121 -10.052 -18.310 1.00 33.53 C ATOM 1116 C PRO A 242 -9.550 -10.128 -18.870 1.00 62.22 C ATOM 1117 O PRO A 242 -9.836 -9.723 -19.999 1.00 3.45 O ATOM 1118 CB PRO A 242 -7.144 -9.249 -19.180 1.00 40.15 C ATOM 1119 CG PRO A 242 -6.563 -10.316 -20.103 1.00 23.42 C ATOM 1120 CD PRO A 242 -6.490 -11.541 -19.190 1.00 33.01 C ATOM 0 HA PRO A 242 -8.236 -9.555 -17.347 1.00 33.53 H new ATOM 0 HB2 PRO A 242 -7.652 -8.463 -19.739 1.00 40.15 H new ATOM 0 HB3 PRO A 242 -6.371 -8.767 -18.582 1.00 40.15 H new ATOM 0 HG2 PRO A 242 -7.200 -10.493 -20.969 1.00 23.42 H new ATOM 0 HG3 PRO A 242 -5.581 -10.033 -20.482 1.00 23.42 H new ATOM 0 HD2 PRO A 242 -6.627 -12.459 -19.762 1.00 33.01 H new ATOM 0 HD3 PRO A 242 -5.514 -11.608 -18.709 1.00 33.01 H new ATOM 1128 N HIS A 243 -10.448 -10.673 -18.054 1.00 45.13 N ATOM 1129 CA HIS A 243 -11.873 -10.824 -18.290 1.00 20.32 C ATOM 1130 C HIS A 243 -12.566 -9.455 -18.278 1.00 25.15 C ATOM 1131 O HIS A 243 -13.566 -9.268 -18.975 1.00 54.22 O ATOM 1132 CB HIS A 243 -12.445 -11.709 -17.165 1.00 51.05 C ATOM 1133 CG HIS A 243 -13.149 -12.970 -17.582 1.00 23.30 C ATOM 1134 ND1 HIS A 243 -13.154 -14.134 -16.848 1.00 43.14 N ATOM 1135 CD2 HIS A 243 -13.980 -13.154 -18.655 1.00 22.02 C ATOM 1136 CE1 HIS A 243 -13.925 -15.025 -17.485 1.00 63.04 C ATOM 1137 NE2 HIS A 243 -14.468 -14.465 -18.579 1.00 1.40 N ATOM 0 H HIS A 243 -10.174 -11.047 -17.145 1.00 45.13 H new ATOM 0 HA HIS A 243 -12.045 -11.281 -19.265 1.00 20.32 H new ATOM 0 HB2 HIS A 243 -11.626 -11.982 -16.499 1.00 51.05 H new ATOM 0 HB3 HIS A 243 -13.143 -11.108 -16.582 1.00 51.05 H new ATOM 0 HD2 HIS A 243 -14.215 -12.425 -19.417 1.00 22.02 H new ATOM 0 HE1 HIS A 243 -14.087 -16.044 -17.166 1.00 63.04 H new ATOM 0 HE2 HIS A 243 -15.114 -14.910 -19.231 1.00 1.40 H new ATOM 1145 N SER A 244 -12.061 -8.520 -17.468 1.00 53.22 N ATOM 1146 CA SER A 244 -12.570 -7.166 -17.335 1.00 22.22 C ATOM 1147 C SER A 244 -11.795 -6.324 -18.332 1.00 53.24 C ATOM 1148 O SER A 244 -10.803 -5.684 -17.925 1.00 34.02 O ATOM 1149 CB SER A 244 -12.421 -6.677 -15.883 1.00 24.31 C ATOM 1150 OG SER A 244 -12.825 -7.672 -14.955 1.00 51.22 O ATOM 0 H SER A 244 -11.256 -8.699 -16.867 1.00 53.22 H new ATOM 0 HA SER A 244 -13.636 -7.100 -17.552 1.00 22.22 H new ATOM 0 HB2 SER A 244 -11.383 -6.403 -15.695 1.00 24.31 H new ATOM 0 HB3 SER A 244 -13.020 -5.778 -15.738 1.00 24.31 H new ATOM 0 HG SER A 244 -12.717 -7.331 -14.042 1.00 51.22 H new TER 1156 SER A 244