USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 559 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 22 SER OG : rot -172:sc= 2.25 USER MOD Set 1.2: A 25 THR OG1 : rot 60:sc= 1.12 USER MOD Set 2.1: A 15 LYS NZ :NH3+ -169:sc= 1.96 (180deg=0.127) USER MOD Set 2.2: A 61 THR OG1 : rot 97:sc= 1.25 USER MOD Single : A 12 GLN : amide:sc=-0.00542 K(o=-0.0054,f=-1) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0867 USER MOD Single : A 29 SER OG : rot 180:sc= -0.011 USER MOD Single : A 32 SER OG : rot 61:sc= 1.21 USER MOD Single : A 33 HIS : no HD1:sc= -0.912 K(o=-0.91,f=-3!) USER MOD Single : A 36 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.09) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -97:sc= 0.208 USER MOD Single : A 43 CYS SG : rot 24:sc= 0.0635 USER MOD Single : A 46 MET CE :methyl 175:sc= -1.18 (180deg=-1.24) USER MOD Single : A 62 TYR OH : rot 36:sc= 0.479 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 72 MET CE :methyl -161:sc= -2.06 (180deg=-2.59!) USER MOD Single : A 73 ASN : amide:sc= 1 K(o=1,f=-0.32) USER MOD Single : A 77 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-6.2) USER MOD Single : A 78 LYS NZ :NH3+ -165:sc= -1.17 (180deg=-1.64) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 11 -5.261 -17.763 -3.901 1.00 74.01 N ATOM 149 CA GLU A 11 -6.390 -17.718 -4.809 1.00 12.14 C ATOM 150 C GLU A 11 -6.615 -19.090 -5.431 1.00 32.11 C ATOM 151 O GLU A 11 -7.725 -19.419 -5.826 1.00 0.45 O ATOM 152 CB GLU A 11 -6.156 -16.662 -5.893 1.00 21.03 C ATOM 153 CG GLU A 11 -7.370 -16.405 -6.770 1.00 24.43 C ATOM 154 CD GLU A 11 -7.144 -15.292 -7.767 1.00 34.33 C ATOM 155 OE1 GLU A 11 -7.081 -14.116 -7.354 1.00 71.33 O ATOM 156 OE2 GLU A 11 -7.039 -15.588 -8.973 1.00 33.21 O ATOM 0 HA GLU A 11 -7.284 -17.442 -4.250 1.00 12.14 H new ATOM 0 HB2 GLU A 11 -5.858 -15.727 -5.418 1.00 21.03 H new ATOM 0 HB3 GLU A 11 -5.325 -16.979 -6.523 1.00 21.03 H new ATOM 0 HG2 GLU A 11 -7.627 -17.319 -7.305 1.00 24.43 H new ATOM 0 HG3 GLU A 11 -8.223 -16.154 -6.139 1.00 24.43 H new ATOM 163 N GLN A 12 -5.557 -19.893 -5.486 1.00 64.04 N ATOM 164 CA GLN A 12 -5.639 -21.250 -6.011 1.00 63.40 C ATOM 165 C GLN A 12 -6.696 -22.063 -5.273 1.00 33.31 C ATOM 166 O GLN A 12 -7.651 -22.553 -5.872 1.00 45.14 O ATOM 167 CB GLN A 12 -4.279 -21.947 -5.885 1.00 5.40 C ATOM 168 CG GLN A 12 -4.359 -23.463 -5.961 1.00 33.55 C ATOM 169 CD GLN A 12 -3.035 -24.133 -5.662 1.00 44.24 C ATOM 170 OE1 GLN A 12 -2.202 -23.599 -4.931 1.00 24.21 O ATOM 171 NE2 GLN A 12 -2.844 -25.320 -6.203 1.00 12.33 N ATOM 0 H GLN A 12 -4.625 -19.623 -5.170 1.00 64.04 H new ATOM 0 HA GLN A 12 -5.922 -21.186 -7.062 1.00 63.40 H new ATOM 0 HB2 GLN A 12 -3.622 -21.587 -6.676 1.00 5.40 H new ATOM 0 HB3 GLN A 12 -3.822 -21.663 -4.937 1.00 5.40 H new ATOM 0 HG2 GLN A 12 -5.109 -23.819 -5.255 1.00 33.55 H new ATOM 0 HG3 GLN A 12 -4.693 -23.756 -6.956 1.00 33.55 H new ATOM 0 HE21 GLN A 12 -3.560 -25.728 -6.804 1.00 12.33 H new ATOM 0 HE22 GLN A 12 -1.980 -25.830 -6.021 1.00 12.33 H new ATOM 180 N LEU A 13 -6.534 -22.173 -3.962 1.00 44.20 N ATOM 181 CA LEU A 13 -7.345 -23.086 -3.175 1.00 74.12 C ATOM 182 C LEU A 13 -8.703 -22.479 -2.823 1.00 61.24 C ATOM 183 O LEU A 13 -9.592 -23.169 -2.321 1.00 31.13 O ATOM 184 CB LEU A 13 -6.563 -23.531 -1.926 1.00 21.21 C ATOM 185 CG LEU A 13 -6.243 -22.466 -0.874 1.00 43.14 C ATOM 186 CD1 LEU A 13 -7.438 -22.204 0.024 1.00 60.31 C ATOM 187 CD2 LEU A 13 -5.048 -22.907 -0.045 1.00 2.42 C ATOM 0 H LEU A 13 -5.850 -21.642 -3.424 1.00 44.20 H new ATOM 0 HA LEU A 13 -7.559 -23.970 -3.775 1.00 74.12 H new ATOM 0 HB2 LEU A 13 -7.130 -24.324 -1.439 1.00 21.21 H new ATOM 0 HB3 LEU A 13 -5.622 -23.970 -2.257 1.00 21.21 H new ATOM 0 HG LEU A 13 -6.003 -21.536 -1.389 1.00 43.14 H new ATOM 0 HD11 LEU A 13 -7.180 -21.443 0.761 1.00 60.31 H new ATOM 0 HD12 LEU A 13 -8.277 -21.856 -0.579 1.00 60.31 H new ATOM 0 HD13 LEU A 13 -7.717 -23.125 0.536 1.00 60.31 H new ATOM 0 HD21 LEU A 13 -4.823 -22.146 0.703 1.00 2.42 H new ATOM 0 HD22 LEU A 13 -5.278 -23.849 0.453 1.00 2.42 H new ATOM 0 HD23 LEU A 13 -4.184 -23.043 -0.696 1.00 2.42 H new ATOM 199 N ARG A 14 -8.862 -21.188 -3.091 1.00 62.34 N ATOM 200 CA ARG A 14 -10.133 -20.514 -2.848 1.00 72.45 C ATOM 201 C ARG A 14 -10.883 -20.281 -4.155 1.00 22.45 C ATOM 202 O ARG A 14 -11.996 -19.753 -4.155 1.00 42.32 O ATOM 203 CB ARG A 14 -9.923 -19.184 -2.123 1.00 2.25 C ATOM 204 CG ARG A 14 -9.485 -19.348 -0.679 1.00 24.43 C ATOM 205 CD ARG A 14 -9.559 -18.031 0.078 1.00 53.10 C ATOM 206 NE ARG A 14 -9.515 -18.200 1.537 1.00 34.45 N ATOM 207 CZ ARG A 14 -8.506 -18.757 2.217 1.00 32.00 C ATOM 208 NH1 ARG A 14 -7.462 -19.266 1.586 1.00 12.44 N ATOM 209 NH2 ARG A 14 -8.552 -18.802 3.541 1.00 21.33 N ATOM 0 H ARG A 14 -8.131 -20.589 -3.475 1.00 62.34 H new ATOM 0 HA ARG A 14 -10.732 -21.164 -2.211 1.00 72.45 H new ATOM 0 HB2 ARG A 14 -9.174 -18.601 -2.658 1.00 2.25 H new ATOM 0 HB3 ARG A 14 -10.851 -18.613 -2.151 1.00 2.25 H new ATOM 0 HG2 ARG A 14 -10.117 -20.088 -0.188 1.00 24.43 H new ATOM 0 HG3 ARG A 14 -8.465 -19.730 -0.648 1.00 24.43 H new ATOM 0 HD2 ARG A 14 -8.731 -17.393 -0.233 1.00 53.10 H new ATOM 0 HD3 ARG A 14 -10.479 -17.514 -0.194 1.00 53.10 H new ATOM 0 HE ARG A 14 -10.316 -17.867 2.073 1.00 34.45 H new ATOM 0 HH11 ARG A 14 -7.418 -19.237 0.567 1.00 12.44 H new ATOM 0 HH12 ARG A 14 -6.700 -19.687 2.118 1.00 12.44 H new ATOM 0 HH21 ARG A 14 -9.354 -18.413 4.037 1.00 21.33 H new ATOM 0 HH22 ARG A 14 -7.785 -19.226 4.064 1.00 21.33 H new ATOM 223 N LYS A 15 -10.269 -20.668 -5.267 1.00 23.21 N ATOM 224 CA LYS A 15 -10.899 -20.520 -6.567 1.00 51.14 C ATOM 225 C LYS A 15 -11.588 -21.816 -6.957 1.00 43.12 C ATOM 226 O LYS A 15 -11.075 -22.911 -6.716 1.00 41.43 O ATOM 227 CB LYS A 15 -9.878 -20.130 -7.641 1.00 60.01 C ATOM 228 CG LYS A 15 -10.507 -19.730 -8.967 1.00 12.20 C ATOM 229 CD LYS A 15 -9.458 -19.510 -10.047 1.00 35.54 C ATOM 230 CE LYS A 15 -8.497 -18.385 -9.699 1.00 65.35 C ATOM 231 NZ LYS A 15 -9.176 -17.063 -9.617 1.00 53.21 N ATOM 0 H LYS A 15 -9.338 -21.085 -5.291 1.00 23.21 H new ATOM 0 HA LYS A 15 -11.636 -19.721 -6.496 1.00 51.14 H new ATOM 0 HB2 LYS A 15 -9.274 -19.302 -7.271 1.00 60.01 H new ATOM 0 HB3 LYS A 15 -9.202 -20.968 -7.808 1.00 60.01 H new ATOM 0 HG2 LYS A 15 -11.202 -20.506 -9.288 1.00 12.20 H new ATOM 0 HG3 LYS A 15 -11.088 -18.817 -8.833 1.00 12.20 H new ATOM 0 HD2 LYS A 15 -8.896 -20.432 -10.197 1.00 35.54 H new ATOM 0 HD3 LYS A 15 -9.954 -19.282 -10.991 1.00 35.54 H new ATOM 0 HE2 LYS A 15 -8.017 -18.603 -8.745 1.00 65.35 H new ATOM 0 HE3 LYS A 15 -7.708 -18.339 -10.450 1.00 65.35 H new ATOM 0 HZ1 LYS A 15 -8.462 -16.309 -9.563 1.00 53.21 H new ATOM 0 HZ2 LYS A 15 -9.765 -16.922 -10.462 1.00 53.21 H new ATOM 0 HZ3 LYS A 15 -9.776 -17.033 -8.768 1.00 53.21 H new ATOM 245 N LEU A 16 -12.756 -21.682 -7.539 1.00 55.21 N ATOM 246 CA LEU A 16 -13.547 -22.815 -7.951 1.00 44.52 C ATOM 247 C LEU A 16 -13.498 -22.960 -9.465 1.00 0.21 C ATOM 248 O LEU A 16 -13.769 -22.007 -10.200 1.00 62.14 O ATOM 249 CB LEU A 16 -14.985 -22.612 -7.479 1.00 40.34 C ATOM 250 CG LEU A 16 -15.797 -23.883 -7.265 1.00 5.42 C ATOM 251 CD1 LEU A 16 -15.034 -24.853 -6.384 1.00 2.00 C ATOM 252 CD2 LEU A 16 -17.139 -23.547 -6.636 1.00 13.41 C ATOM 0 H LEU A 16 -13.186 -20.779 -7.741 1.00 55.21 H new ATOM 0 HA LEU A 16 -13.147 -23.727 -7.508 1.00 44.52 H new ATOM 0 HB2 LEU A 16 -14.965 -22.054 -6.543 1.00 40.34 H new ATOM 0 HB3 LEU A 16 -15.503 -21.991 -8.209 1.00 40.34 H new ATOM 0 HG LEU A 16 -15.970 -24.354 -8.233 1.00 5.42 H new ATOM 0 HD11 LEU A 16 -15.626 -25.757 -6.240 1.00 2.00 H new ATOM 0 HD12 LEU A 16 -14.089 -25.111 -6.861 1.00 2.00 H new ATOM 0 HD13 LEU A 16 -14.838 -24.389 -5.417 1.00 2.00 H new ATOM 0 HD21 LEU A 16 -17.711 -24.463 -6.488 1.00 13.41 H new ATOM 0 HD22 LEU A 16 -16.978 -23.060 -5.674 1.00 13.41 H new ATOM 0 HD23 LEU A 16 -17.692 -22.877 -7.294 1.00 13.41 H new ATOM 264 N PHE A 17 -13.121 -24.141 -9.920 1.00 73.11 N ATOM 265 CA PHE A 17 -13.089 -24.449 -11.339 1.00 63.03 C ATOM 266 C PHE A 17 -14.450 -24.952 -11.782 1.00 70.41 C ATOM 267 O PHE A 17 -14.948 -25.951 -11.260 1.00 4.11 O ATOM 268 CB PHE A 17 -12.015 -25.500 -11.638 1.00 53.12 C ATOM 269 CG PHE A 17 -12.021 -25.981 -13.063 1.00 42.03 C ATOM 270 CD1 PHE A 17 -12.232 -27.319 -13.356 1.00 52.20 C ATOM 271 CD2 PHE A 17 -11.826 -25.095 -14.111 1.00 54.21 C ATOM 272 CE1 PHE A 17 -12.245 -27.761 -14.665 1.00 12.32 C ATOM 273 CE2 PHE A 17 -11.837 -25.532 -15.419 1.00 24.23 C ATOM 274 CZ PHE A 17 -12.047 -26.867 -15.697 1.00 20.13 C ATOM 0 H PHE A 17 -12.829 -24.912 -9.319 1.00 73.11 H new ATOM 0 HA PHE A 17 -12.843 -23.542 -11.891 1.00 63.03 H new ATOM 0 HB2 PHE A 17 -11.035 -25.081 -11.409 1.00 53.12 H new ATOM 0 HB3 PHE A 17 -12.159 -26.353 -10.975 1.00 53.12 H new ATOM 0 HD1 PHE A 17 -12.388 -28.024 -12.553 1.00 52.20 H new ATOM 0 HD2 PHE A 17 -11.663 -24.048 -13.900 1.00 54.21 H new ATOM 0 HE1 PHE A 17 -12.410 -28.806 -14.880 1.00 12.32 H new ATOM 0 HE2 PHE A 17 -11.681 -24.830 -16.225 1.00 24.23 H new ATOM 0 HZ PHE A 17 -12.056 -27.212 -16.721 1.00 20.13 H new ATOM 284 N ILE A 18 -15.052 -24.255 -12.729 1.00 5.41 N ATOM 285 CA ILE A 18 -16.394 -24.585 -13.176 1.00 2.32 C ATOM 286 C ILE A 18 -16.368 -25.102 -14.603 1.00 24.03 C ATOM 287 O ILE A 18 -16.340 -24.318 -15.544 1.00 23.34 O ATOM 288 CB ILE A 18 -17.325 -23.355 -13.121 1.00 33.35 C ATOM 289 CG1 ILE A 18 -17.095 -22.553 -11.839 1.00 33.11 C ATOM 290 CG2 ILE A 18 -18.781 -23.785 -13.229 1.00 1.42 C ATOM 291 CD1 ILE A 18 -17.272 -23.354 -10.567 1.00 75.24 C ATOM 0 H ILE A 18 -14.632 -23.456 -13.204 1.00 5.41 H new ATOM 0 HA ILE A 18 -16.774 -25.354 -12.504 1.00 2.32 H new ATOM 0 HB ILE A 18 -17.090 -22.712 -13.969 1.00 33.35 H new ATOM 0 HG12 ILE A 18 -16.086 -22.140 -11.858 1.00 33.11 H new ATOM 0 HG13 ILE A 18 -17.785 -21.709 -11.823 1.00 33.11 H new ATOM 0 HG21 ILE A 18 -19.424 -22.906 -13.189 1.00 1.42 H new ATOM 0 HG22 ILE A 18 -18.937 -24.306 -14.174 1.00 1.42 H new ATOM 0 HG23 ILE A 18 -19.026 -24.452 -12.402 1.00 1.42 H new ATOM 0 HD11 ILE A 18 -17.091 -22.712 -9.705 1.00 75.24 H new ATOM 0 HD12 ILE A 18 -18.288 -23.745 -10.522 1.00 75.24 H new ATOM 0 HD13 ILE A 18 -16.564 -24.183 -10.557 1.00 75.24 H new ATOM 303 N GLY A 19 -16.363 -26.415 -14.761 1.00 3.31 N ATOM 304 CA GLY A 19 -16.361 -26.992 -16.087 1.00 42.13 C ATOM 305 C GLY A 19 -17.710 -27.570 -16.445 1.00 71.32 C ATOM 306 O GLY A 19 -18.426 -28.072 -15.576 1.00 60.43 O ATOM 0 H GLY A 19 -16.360 -27.090 -13.997 1.00 3.31 H new ATOM 0 HA2 GLY A 19 -16.087 -26.229 -16.816 1.00 42.13 H new ATOM 0 HA3 GLY A 19 -15.603 -27.774 -16.143 1.00 42.13 H new ATOM 310 N GLY A 20 -18.067 -27.483 -17.717 1.00 4.44 N ATOM 311 CA GLY A 20 -19.303 -28.076 -18.181 1.00 72.23 C ATOM 312 C GLY A 20 -20.431 -27.076 -18.280 1.00 33.21 C ATOM 313 O GLY A 20 -21.593 -27.459 -18.407 1.00 21.34 O ATOM 0 H GLY A 20 -17.521 -27.011 -18.438 1.00 4.44 H new ATOM 0 HA2 GLY A 20 -19.139 -28.529 -19.159 1.00 72.23 H new ATOM 0 HA3 GLY A 20 -19.593 -28.878 -17.502 1.00 72.23 H new ATOM 317 N LEU A 21 -20.099 -25.797 -18.237 1.00 32.13 N ATOM 318 CA LEU A 21 -21.110 -24.753 -18.321 1.00 2.15 C ATOM 319 C LEU A 21 -21.412 -24.411 -19.777 1.00 74.11 C ATOM 320 O LEU A 21 -20.663 -24.789 -20.680 1.00 62.12 O ATOM 321 CB LEU A 21 -20.678 -23.515 -17.520 1.00 14.12 C ATOM 322 CG LEU A 21 -19.258 -22.994 -17.777 1.00 20.35 C ATOM 323 CD1 LEU A 21 -19.188 -22.165 -19.050 1.00 71.11 C ATOM 324 CD2 LEU A 21 -18.780 -22.177 -16.589 1.00 41.52 C ATOM 0 H LEU A 21 -19.142 -25.456 -18.145 1.00 32.13 H new ATOM 0 HA LEU A 21 -22.033 -25.124 -17.876 1.00 2.15 H new ATOM 0 HB2 LEU A 21 -21.381 -22.709 -17.732 1.00 14.12 H new ATOM 0 HB3 LEU A 21 -20.770 -23.746 -16.459 1.00 14.12 H new ATOM 0 HG LEU A 21 -18.603 -23.856 -17.907 1.00 20.35 H new ATOM 0 HD11 LEU A 21 -18.167 -21.813 -19.199 1.00 71.11 H new ATOM 0 HD12 LEU A 21 -19.489 -22.777 -19.900 1.00 71.11 H new ATOM 0 HD13 LEU A 21 -19.858 -21.309 -18.964 1.00 71.11 H new ATOM 0 HD21 LEU A 21 -17.771 -21.812 -16.781 1.00 41.52 H new ATOM 0 HD22 LEU A 21 -19.450 -21.331 -16.436 1.00 41.52 H new ATOM 0 HD23 LEU A 21 -18.776 -22.802 -15.696 1.00 41.52 H new ATOM 336 N SER A 22 -22.506 -23.698 -19.997 1.00 61.13 N ATOM 337 CA SER A 22 -22.983 -23.418 -21.343 1.00 10.24 C ATOM 338 C SER A 22 -22.189 -22.283 -21.983 1.00 52.11 C ATOM 339 O SER A 22 -21.378 -21.624 -21.330 1.00 45.33 O ATOM 340 CB SER A 22 -24.467 -23.049 -21.298 1.00 1.13 C ATOM 341 OG SER A 22 -24.675 -21.894 -20.500 1.00 32.15 O ATOM 0 H SER A 22 -23.083 -23.301 -19.256 1.00 61.13 H new ATOM 0 HA SER A 22 -22.845 -24.314 -21.948 1.00 10.24 H new ATOM 0 HB2 SER A 22 -24.832 -22.869 -22.309 1.00 1.13 H new ATOM 0 HB3 SER A 22 -25.042 -23.883 -20.895 1.00 1.13 H new ATOM 0 HG SER A 22 -25.637 -21.751 -20.377 1.00 32.15 H new ATOM 347 N PHE A 23 -22.438 -22.041 -23.261 1.00 24.22 N ATOM 348 CA PHE A 23 -21.815 -20.925 -23.952 1.00 23.50 C ATOM 349 C PHE A 23 -22.594 -19.652 -23.668 1.00 15.34 C ATOM 350 O PHE A 23 -22.221 -18.559 -24.096 1.00 14.32 O ATOM 351 CB PHE A 23 -21.728 -21.198 -25.453 1.00 54.14 C ATOM 352 CG PHE A 23 -20.970 -22.455 -25.767 1.00 43.30 C ATOM 353 CD1 PHE A 23 -21.586 -23.504 -26.425 1.00 64.23 C ATOM 354 CD2 PHE A 23 -19.647 -22.592 -25.382 1.00 31.44 C ATOM 355 CE1 PHE A 23 -20.893 -24.670 -26.695 1.00 12.24 C ATOM 356 CE2 PHE A 23 -18.948 -23.750 -25.650 1.00 3.32 C ATOM 357 CZ PHE A 23 -19.571 -24.792 -26.307 1.00 64.41 C ATOM 0 H PHE A 23 -23.065 -22.601 -23.838 1.00 24.22 H new ATOM 0 HA PHE A 23 -20.797 -20.800 -23.584 1.00 23.50 H new ATOM 0 HB2 PHE A 23 -22.735 -21.273 -25.864 1.00 54.14 H new ATOM 0 HB3 PHE A 23 -21.245 -20.354 -25.945 1.00 54.14 H new ATOM 0 HD1 PHE A 23 -22.618 -23.412 -26.731 1.00 64.23 H new ATOM 0 HD2 PHE A 23 -19.156 -21.781 -24.865 1.00 31.44 H new ATOM 0 HE1 PHE A 23 -21.383 -25.484 -27.208 1.00 12.24 H new ATOM 0 HE2 PHE A 23 -17.916 -23.842 -25.347 1.00 3.32 H new ATOM 0 HZ PHE A 23 -19.027 -25.701 -26.518 1.00 64.41 H new ATOM 367 N GLU A 24 -23.675 -19.810 -22.918 1.00 12.24 N ATOM 368 CA GLU A 24 -24.483 -18.688 -22.489 1.00 3.22 C ATOM 369 C GLU A 24 -24.091 -18.306 -21.068 1.00 3.14 C ATOM 370 O GLU A 24 -24.548 -17.300 -20.524 1.00 64.55 O ATOM 371 CB GLU A 24 -25.966 -19.056 -22.566 1.00 73.42 C ATOM 372 CG GLU A 24 -26.354 -19.696 -23.891 1.00 3.31 C ATOM 373 CD GLU A 24 -27.837 -19.983 -23.990 1.00 2.23 C ATOM 374 OE1 GLU A 24 -28.614 -19.046 -24.254 1.00 52.33 O ATOM 375 OE2 GLU A 24 -28.236 -21.153 -23.811 1.00 44.22 O ATOM 0 H GLU A 24 -24.012 -20.716 -22.593 1.00 12.24 H new ATOM 0 HA GLU A 24 -24.311 -17.834 -23.144 1.00 3.22 H new ATOM 0 HB2 GLU A 24 -26.207 -19.742 -21.754 1.00 73.42 H new ATOM 0 HB3 GLU A 24 -26.565 -18.158 -22.413 1.00 73.42 H new ATOM 0 HG2 GLU A 24 -26.061 -19.037 -24.708 1.00 3.31 H new ATOM 0 HG3 GLU A 24 -25.799 -20.626 -24.017 1.00 3.31 H new ATOM 382 N THR A 25 -23.237 -19.130 -20.472 1.00 42.33 N ATOM 383 CA THR A 25 -22.694 -18.852 -19.158 1.00 3.33 C ATOM 384 C THR A 25 -21.595 -17.799 -19.251 1.00 41.14 C ATOM 385 O THR A 25 -20.435 -18.110 -19.531 1.00 65.02 O ATOM 386 CB THR A 25 -22.120 -20.123 -18.499 1.00 35.34 C ATOM 387 OG1 THR A 25 -23.118 -21.153 -18.457 1.00 31.55 O ATOM 388 CG2 THR A 25 -21.638 -19.829 -17.086 1.00 23.14 C ATOM 0 H THR A 25 -22.907 -20.002 -20.886 1.00 42.33 H new ATOM 0 HA THR A 25 -23.513 -18.481 -18.541 1.00 3.33 H new ATOM 0 HB THR A 25 -21.274 -20.460 -19.097 1.00 35.34 H new ATOM 0 HG1 THR A 25 -23.413 -21.360 -19.368 1.00 31.55 H new ATOM 0 HG21 THR A 25 -21.237 -20.740 -16.641 1.00 23.14 H new ATOM 0 HG22 THR A 25 -20.858 -19.068 -17.118 1.00 23.14 H new ATOM 0 HG23 THR A 25 -22.472 -19.468 -16.485 1.00 23.14 H new ATOM 396 N THR A 26 -21.975 -16.550 -19.056 1.00 12.41 N ATOM 397 CA THR A 26 -21.020 -15.461 -19.048 1.00 74.34 C ATOM 398 C THR A 26 -20.608 -15.153 -17.613 1.00 25.21 C ATOM 399 O THR A 26 -21.223 -15.656 -16.672 1.00 51.23 O ATOM 400 CB THR A 26 -21.589 -14.209 -19.751 1.00 73.41 C ATOM 401 OG1 THR A 26 -20.618 -13.155 -19.772 1.00 32.43 O ATOM 402 CG2 THR A 26 -22.856 -13.725 -19.071 1.00 41.43 C ATOM 0 H THR A 26 -22.942 -16.265 -18.901 1.00 12.41 H new ATOM 0 HA THR A 26 -20.136 -15.765 -19.609 1.00 74.34 H new ATOM 0 HB THR A 26 -21.832 -14.490 -20.776 1.00 73.41 H new ATOM 0 HG1 THR A 26 -20.996 -12.371 -20.223 1.00 32.43 H new ATOM 0 HG21 THR A 26 -23.232 -12.843 -19.589 1.00 41.43 H new ATOM 0 HG22 THR A 26 -23.609 -14.513 -19.102 1.00 41.43 H new ATOM 0 HG23 THR A 26 -22.638 -13.472 -18.034 1.00 41.43 H new ATOM 410 N ASP A 27 -19.572 -14.339 -17.447 1.00 64.30 N ATOM 411 CA ASP A 27 -18.987 -14.089 -16.129 1.00 74.10 C ATOM 412 C ASP A 27 -20.024 -13.534 -15.158 1.00 14.02 C ATOM 413 O ASP A 27 -20.078 -13.931 -13.992 1.00 30.12 O ATOM 414 CB ASP A 27 -17.796 -13.130 -16.246 1.00 74.34 C ATOM 415 CG ASP A 27 -18.175 -11.671 -16.085 1.00 15.40 C ATOM 416 OD1 ASP A 27 -17.916 -11.106 -15.005 1.00 4.54 O ATOM 417 OD2 ASP A 27 -18.740 -11.094 -17.033 1.00 65.31 O ATOM 0 H ASP A 27 -19.116 -13.838 -18.210 1.00 64.30 H new ATOM 0 HA ASP A 27 -18.634 -15.041 -15.733 1.00 74.10 H new ATOM 0 HB2 ASP A 27 -17.055 -13.390 -15.490 1.00 74.34 H new ATOM 0 HB3 ASP A 27 -17.322 -13.269 -17.218 1.00 74.34 H new ATOM 422 N GLU A 28 -20.853 -12.626 -15.650 1.00 72.23 N ATOM 423 CA GLU A 28 -21.905 -12.034 -14.837 1.00 0.40 C ATOM 424 C GLU A 28 -22.933 -13.087 -14.427 1.00 14.14 C ATOM 425 O GLU A 28 -23.400 -13.091 -13.288 1.00 3.42 O ATOM 426 CB GLU A 28 -22.574 -10.872 -15.579 1.00 23.25 C ATOM 427 CG GLU A 28 -23.259 -11.274 -16.873 1.00 33.43 C ATOM 428 CD GLU A 28 -23.930 -10.112 -17.572 1.00 21.04 C ATOM 429 OE1 GLU A 28 -25.050 -9.737 -17.174 1.00 3.30 O ATOM 430 OE2 GLU A 28 -23.353 -9.578 -18.541 1.00 4.11 O ATOM 0 H GLU A 28 -20.818 -12.282 -16.610 1.00 72.23 H new ATOM 0 HA GLU A 28 -21.451 -11.638 -13.929 1.00 0.40 H new ATOM 0 HB2 GLU A 28 -23.309 -10.410 -14.920 1.00 23.25 H new ATOM 0 HB3 GLU A 28 -21.822 -10.115 -15.799 1.00 23.25 H new ATOM 0 HG2 GLU A 28 -22.524 -11.719 -17.544 1.00 33.43 H new ATOM 0 HG3 GLU A 28 -24.003 -12.042 -16.661 1.00 33.43 H new ATOM 437 N SER A 29 -23.258 -13.997 -15.339 1.00 63.15 N ATOM 438 CA SER A 29 -24.194 -15.071 -15.036 1.00 54.40 C ATOM 439 C SER A 29 -23.554 -16.062 -14.073 1.00 33.14 C ATOM 440 O SER A 29 -24.207 -16.572 -13.162 1.00 42.00 O ATOM 441 CB SER A 29 -24.625 -15.794 -16.317 1.00 62.31 C ATOM 442 OG SER A 29 -25.266 -14.908 -17.221 1.00 64.44 O ATOM 0 H SER A 29 -22.889 -14.012 -16.290 1.00 63.15 H new ATOM 0 HA SER A 29 -25.078 -14.635 -14.571 1.00 54.40 H new ATOM 0 HB2 SER A 29 -23.753 -16.238 -16.797 1.00 62.31 H new ATOM 0 HB3 SER A 29 -25.301 -16.611 -16.065 1.00 62.31 H new ATOM 0 HG SER A 29 -25.528 -15.398 -18.029 1.00 64.44 H new ATOM 448 N LEU A 30 -22.262 -16.295 -14.269 1.00 70.25 N ATOM 449 CA LEU A 30 -21.522 -17.256 -13.464 1.00 12.31 C ATOM 450 C LEU A 30 -21.453 -16.795 -12.018 1.00 23.50 C ATOM 451 O LEU A 30 -21.847 -17.525 -11.109 1.00 31.41 O ATOM 452 CB LEU A 30 -20.104 -17.443 -14.011 1.00 50.22 C ATOM 453 CG LEU A 30 -19.296 -18.560 -13.342 1.00 71.43 C ATOM 454 CD1 LEU A 30 -19.863 -19.921 -13.709 1.00 61.14 C ATOM 455 CD2 LEU A 30 -17.829 -18.471 -13.729 1.00 13.10 C ATOM 0 H LEU A 30 -21.703 -15.828 -14.983 1.00 70.25 H new ATOM 0 HA LEU A 30 -22.047 -18.210 -13.511 1.00 12.31 H new ATOM 0 HB2 LEU A 30 -20.167 -17.650 -15.079 1.00 50.22 H new ATOM 0 HB3 LEU A 30 -19.561 -16.505 -13.899 1.00 50.22 H new ATOM 0 HG LEU A 30 -19.371 -18.435 -12.262 1.00 71.43 H new ATOM 0 HD11 LEU A 30 -19.277 -20.702 -13.225 1.00 61.14 H new ATOM 0 HD12 LEU A 30 -20.899 -19.986 -13.376 1.00 61.14 H new ATOM 0 HD13 LEU A 30 -19.821 -20.053 -14.790 1.00 61.14 H new ATOM 0 HD21 LEU A 30 -17.275 -19.274 -13.242 1.00 13.10 H new ATOM 0 HD22 LEU A 30 -17.732 -18.567 -14.810 1.00 13.10 H new ATOM 0 HD23 LEU A 30 -17.427 -17.509 -13.412 1.00 13.10 H new ATOM 467 N ARG A 31 -20.975 -15.571 -11.809 1.00 42.11 N ATOM 468 CA ARG A 31 -20.809 -15.052 -10.462 1.00 74.34 C ATOM 469 C ARG A 31 -22.156 -15.009 -9.744 1.00 73.54 C ATOM 470 O ARG A 31 -22.241 -15.342 -8.572 1.00 44.14 O ATOM 471 CB ARG A 31 -20.138 -13.663 -10.466 1.00 22.51 C ATOM 472 CG ARG A 31 -21.105 -12.491 -10.429 1.00 53.32 C ATOM 473 CD ARG A 31 -20.379 -11.155 -10.396 1.00 4.33 C ATOM 474 NE ARG A 31 -19.643 -10.870 -11.630 1.00 20.20 N ATOM 475 CZ ARG A 31 -19.181 -9.658 -11.950 1.00 4.44 C ATOM 476 NH1 ARG A 31 -19.406 -8.622 -11.148 1.00 42.01 N ATOM 477 NH2 ARG A 31 -18.509 -9.474 -13.078 1.00 41.11 N ATOM 0 H ARG A 31 -20.699 -14.928 -12.551 1.00 42.11 H new ATOM 0 HA ARG A 31 -20.146 -15.726 -9.920 1.00 74.34 H new ATOM 0 HB2 ARG A 31 -19.472 -13.594 -9.606 1.00 22.51 H new ATOM 0 HB3 ARG A 31 -19.518 -13.577 -11.358 1.00 22.51 H new ATOM 0 HG2 ARG A 31 -21.755 -12.529 -11.303 1.00 53.32 H new ATOM 0 HG3 ARG A 31 -21.746 -12.577 -9.552 1.00 53.32 H new ATOM 0 HD2 ARG A 31 -21.103 -10.359 -10.220 1.00 4.33 H new ATOM 0 HD3 ARG A 31 -19.685 -11.146 -9.556 1.00 4.33 H new ATOM 0 HE ARG A 31 -19.474 -11.638 -12.280 1.00 20.20 H new ATOM 0 HH11 ARG A 31 -19.933 -8.751 -10.284 1.00 42.01 H new ATOM 0 HH12 ARG A 31 -19.051 -7.698 -11.396 1.00 42.01 H new ATOM 0 HH21 ARG A 31 -18.343 -10.260 -13.706 1.00 41.11 H new ATOM 0 HH22 ARG A 31 -18.159 -8.546 -13.317 1.00 41.11 H new ATOM 491 N SER A 32 -23.215 -14.660 -10.470 1.00 21.00 N ATOM 492 CA SER A 32 -24.542 -14.555 -9.878 1.00 3.10 C ATOM 493 C SER A 32 -25.000 -15.895 -9.310 1.00 52.44 C ATOM 494 O SER A 32 -25.596 -15.953 -8.232 1.00 54.43 O ATOM 495 CB SER A 32 -25.552 -14.058 -10.912 1.00 71.55 C ATOM 496 OG SER A 32 -25.208 -12.765 -11.386 1.00 72.22 O ATOM 0 H SER A 32 -23.178 -14.446 -11.467 1.00 21.00 H new ATOM 0 HA SER A 32 -24.484 -13.836 -9.061 1.00 3.10 H new ATOM 0 HB2 SER A 32 -25.593 -14.756 -11.748 1.00 71.55 H new ATOM 0 HB3 SER A 32 -26.547 -14.033 -10.469 1.00 71.55 H new ATOM 0 HG SER A 32 -24.327 -12.797 -11.814 1.00 72.22 H new ATOM 502 N HIS A 33 -24.699 -16.974 -10.021 1.00 34.42 N ATOM 503 CA HIS A 33 -25.128 -18.296 -9.597 1.00 34.21 C ATOM 504 C HIS A 33 -24.163 -18.909 -8.588 1.00 52.01 C ATOM 505 O HIS A 33 -24.427 -19.975 -8.048 1.00 1.31 O ATOM 506 CB HIS A 33 -25.311 -19.226 -10.803 1.00 33.25 C ATOM 507 CG HIS A 33 -26.563 -18.939 -11.578 1.00 32.33 C ATOM 508 ND1 HIS A 33 -26.639 -19.128 -12.936 1.00 2.10 N ATOM 509 CD2 HIS A 33 -27.757 -18.484 -11.129 1.00 44.41 C ATOM 510 CE1 HIS A 33 -27.868 -18.783 -13.279 1.00 4.24 C ATOM 511 NE2 HIS A 33 -28.583 -18.385 -12.218 1.00 75.52 N ATOM 0 H HIS A 33 -24.163 -16.958 -10.888 1.00 34.42 H new ATOM 0 HA HIS A 33 -26.092 -18.179 -9.101 1.00 34.21 H new ATOM 0 HB2 HIS A 33 -24.450 -19.128 -11.464 1.00 33.25 H new ATOM 0 HB3 HIS A 33 -25.332 -20.260 -10.458 1.00 33.25 H new ATOM 0 HD2 HIS A 33 -28.010 -18.245 -10.107 1.00 44.41 H new ATOM 0 HE1 HIS A 33 -28.249 -18.818 -14.289 1.00 4.24 H new ATOM 0 HE2 HIS A 33 -29.553 -18.070 -12.220 1.00 75.52 H new ATOM 519 N PHE A 34 -23.055 -18.236 -8.319 1.00 54.31 N ATOM 520 CA PHE A 34 -22.121 -18.717 -7.307 1.00 54.44 C ATOM 521 C PHE A 34 -22.090 -17.807 -6.084 1.00 33.33 C ATOM 522 O PHE A 34 -21.659 -18.222 -5.012 1.00 12.42 O ATOM 523 CB PHE A 34 -20.722 -18.901 -7.893 1.00 43.23 C ATOM 524 CG PHE A 34 -20.583 -20.185 -8.656 1.00 64.30 C ATOM 525 CD1 PHE A 34 -20.296 -21.368 -7.995 1.00 51.51 C ATOM 526 CD2 PHE A 34 -20.761 -20.216 -10.027 1.00 62.20 C ATOM 527 CE1 PHE A 34 -20.191 -22.557 -8.689 1.00 73.40 C ATOM 528 CE2 PHE A 34 -20.652 -21.401 -10.726 1.00 74.12 C ATOM 529 CZ PHE A 34 -20.370 -22.573 -10.056 1.00 32.02 C ATOM 0 H PHE A 34 -22.781 -17.367 -8.778 1.00 54.31 H new ATOM 0 HA PHE A 34 -22.478 -19.692 -6.974 1.00 54.44 H new ATOM 0 HB2 PHE A 34 -20.495 -18.064 -8.553 1.00 43.23 H new ATOM 0 HB3 PHE A 34 -19.988 -18.880 -7.087 1.00 43.23 H new ATOM 0 HD1 PHE A 34 -20.153 -21.360 -6.925 1.00 51.51 H new ATOM 0 HD2 PHE A 34 -20.988 -19.303 -10.557 1.00 62.20 H new ATOM 0 HE1 PHE A 34 -19.969 -23.473 -8.162 1.00 73.40 H new ATOM 0 HE2 PHE A 34 -20.788 -21.411 -11.797 1.00 74.12 H new ATOM 0 HZ PHE A 34 -20.290 -23.502 -10.601 1.00 32.02 H new ATOM 539 N GLU A 35 -22.585 -16.582 -6.232 1.00 3.51 N ATOM 540 CA GLU A 35 -22.684 -15.654 -5.108 1.00 22.04 C ATOM 541 C GLU A 35 -23.850 -16.037 -4.203 1.00 0.23 C ATOM 542 O GLU A 35 -24.159 -15.342 -3.236 1.00 64.31 O ATOM 543 CB GLU A 35 -22.863 -14.210 -5.587 1.00 20.41 C ATOM 544 CG GLU A 35 -21.625 -13.612 -6.234 1.00 42.33 C ATOM 545 CD GLU A 35 -21.833 -12.173 -6.665 1.00 11.24 C ATOM 546 OE1 GLU A 35 -22.784 -11.909 -7.427 1.00 35.03 O ATOM 547 OE2 GLU A 35 -21.042 -11.301 -6.245 1.00 73.41 O ATOM 0 H GLU A 35 -22.924 -16.208 -7.118 1.00 3.51 H new ATOM 0 HA GLU A 35 -21.751 -15.719 -4.548 1.00 22.04 H new ATOM 0 HB2 GLU A 35 -23.686 -14.175 -6.301 1.00 20.41 H new ATOM 0 HB3 GLU A 35 -23.151 -13.590 -4.738 1.00 20.41 H new ATOM 0 HG2 GLU A 35 -20.792 -13.661 -5.532 1.00 42.33 H new ATOM 0 HG3 GLU A 35 -21.347 -14.211 -7.101 1.00 42.33 H new ATOM 554 N GLN A 36 -24.494 -17.147 -4.526 1.00 5.04 N ATOM 555 CA GLN A 36 -25.624 -17.628 -3.753 1.00 55.22 C ATOM 556 C GLN A 36 -25.162 -18.252 -2.442 1.00 3.54 C ATOM 557 O GLN A 36 -25.740 -17.997 -1.387 1.00 52.12 O ATOM 558 CB GLN A 36 -26.421 -18.644 -4.561 1.00 73.34 C ATOM 559 CG GLN A 36 -27.138 -18.039 -5.757 1.00 1.53 C ATOM 560 CD GLN A 36 -27.890 -19.073 -6.570 1.00 64.42 C ATOM 561 OE1 GLN A 36 -29.073 -19.322 -6.349 1.00 52.35 O ATOM 562 NE2 GLN A 36 -27.196 -19.701 -7.496 1.00 54.12 N ATOM 0 H GLN A 36 -24.250 -17.734 -5.324 1.00 5.04 H new ATOM 0 HA GLN A 36 -26.263 -16.776 -3.521 1.00 55.22 H new ATOM 0 HB2 GLN A 36 -25.748 -19.428 -4.909 1.00 73.34 H new ATOM 0 HB3 GLN A 36 -27.155 -19.119 -3.910 1.00 73.34 H new ATOM 0 HG2 GLN A 36 -27.836 -17.277 -5.410 1.00 1.53 H new ATOM 0 HG3 GLN A 36 -26.411 -17.538 -6.396 1.00 1.53 H new ATOM 0 HE21 GLN A 36 -26.216 -19.464 -7.647 1.00 54.12 H new ATOM 0 HE22 GLN A 36 -27.639 -20.425 -8.062 1.00 54.12 H new ATOM 571 N TRP A 37 -24.107 -19.058 -2.512 1.00 43.32 N ATOM 572 CA TRP A 37 -23.608 -19.772 -1.341 1.00 10.31 C ATOM 573 C TRP A 37 -22.401 -19.064 -0.735 1.00 73.12 C ATOM 574 O TRP A 37 -21.792 -19.562 0.213 1.00 74.14 O ATOM 575 CB TRP A 37 -23.240 -21.218 -1.707 1.00 61.52 C ATOM 576 CG TRP A 37 -24.408 -22.020 -2.199 1.00 72.23 C ATOM 577 CD1 TRP A 37 -25.213 -22.832 -1.456 1.00 74.03 C ATOM 578 CD2 TRP A 37 -24.896 -22.092 -3.543 1.00 2.33 C ATOM 579 NE1 TRP A 37 -26.189 -23.382 -2.248 1.00 3.34 N ATOM 580 CE2 TRP A 37 -26.013 -22.950 -3.536 1.00 72.13 C ATOM 581 CE3 TRP A 37 -24.504 -21.511 -4.749 1.00 13.13 C ATOM 582 CZ2 TRP A 37 -26.739 -23.238 -4.689 1.00 4.24 C ATOM 583 CZ3 TRP A 37 -25.223 -21.802 -5.890 1.00 5.25 C ATOM 584 CH2 TRP A 37 -26.328 -22.655 -5.855 1.00 12.23 C ATOM 0 H TRP A 37 -23.581 -19.233 -3.368 1.00 43.32 H new ATOM 0 HA TRP A 37 -24.405 -19.786 -0.597 1.00 10.31 H new ATOM 0 HB2 TRP A 37 -22.467 -21.206 -2.475 1.00 61.52 H new ATOM 0 HB3 TRP A 37 -22.813 -21.709 -0.833 1.00 61.52 H new ATOM 0 HD1 TRP A 37 -25.099 -23.016 -0.398 1.00 74.03 H new ATOM 0 HE1 TRP A 37 -26.926 -24.011 -1.929 1.00 3.34 H new ATOM 0 HE3 TRP A 37 -23.654 -20.846 -4.789 1.00 13.13 H new ATOM 0 HZ2 TRP A 37 -27.594 -23.897 -4.663 1.00 4.24 H new ATOM 0 HZ3 TRP A 37 -24.925 -21.361 -6.830 1.00 5.25 H new ATOM 0 HH2 TRP A 37 -26.869 -22.858 -6.768 1.00 12.23 H new ATOM 595 N GLY A 38 -22.065 -17.898 -1.269 1.00 50.52 N ATOM 596 CA GLY A 38 -20.918 -17.169 -0.761 1.00 72.21 C ATOM 597 C GLY A 38 -20.599 -15.924 -1.560 1.00 52.31 C ATOM 598 O GLY A 38 -21.289 -15.602 -2.523 1.00 24.41 O ATOM 0 H GLY A 38 -22.560 -17.446 -2.038 1.00 50.52 H new ATOM 0 HA2 GLY A 38 -21.104 -16.889 0.276 1.00 72.21 H new ATOM 0 HA3 GLY A 38 -20.048 -17.826 -0.763 1.00 72.21 H new ATOM 602 N THR A 39 -19.552 -15.224 -1.158 1.00 51.41 N ATOM 603 CA THR A 39 -19.144 -13.988 -1.810 1.00 73.23 C ATOM 604 C THR A 39 -17.961 -14.229 -2.742 1.00 72.23 C ATOM 605 O THR A 39 -16.935 -14.751 -2.317 1.00 24.42 O ATOM 606 CB THR A 39 -18.763 -12.936 -0.746 1.00 11.44 C ATOM 607 OG1 THR A 39 -19.945 -12.495 -0.058 1.00 52.44 O ATOM 608 CG2 THR A 39 -18.037 -11.745 -1.357 1.00 61.44 C ATOM 0 H THR A 39 -18.961 -15.494 -0.372 1.00 51.41 H new ATOM 0 HA THR A 39 -19.981 -13.621 -2.403 1.00 73.23 H new ATOM 0 HB THR A 39 -18.079 -13.407 -0.040 1.00 11.44 H new ATOM 0 HG1 THR A 39 -19.701 -11.829 0.618 1.00 52.44 H new ATOM 0 HG21 THR A 39 -17.788 -11.030 -0.573 1.00 61.44 H new ATOM 0 HG22 THR A 39 -17.122 -12.086 -1.841 1.00 61.44 H new ATOM 0 HG23 THR A 39 -18.681 -11.266 -2.094 1.00 61.44 H new ATOM 616 N LEU A 40 -18.098 -13.866 -4.016 1.00 1.23 N ATOM 617 CA LEU A 40 -16.999 -14.038 -4.949 1.00 24.54 C ATOM 618 C LEU A 40 -16.138 -12.789 -4.978 1.00 13.35 C ATOM 619 O LEU A 40 -16.570 -11.733 -5.444 1.00 2.54 O ATOM 620 CB LEU A 40 -17.493 -14.347 -6.364 1.00 0.30 C ATOM 621 CG LEU A 40 -18.612 -15.376 -6.464 1.00 10.34 C ATOM 622 CD1 LEU A 40 -18.771 -15.858 -7.885 1.00 71.13 C ATOM 623 CD2 LEU A 40 -18.385 -16.535 -5.510 1.00 34.22 C ATOM 0 H LEU A 40 -18.944 -13.459 -4.415 1.00 1.23 H new ATOM 0 HA LEU A 40 -16.410 -14.888 -4.603 1.00 24.54 H new ATOM 0 HB2 LEU A 40 -17.837 -13.418 -6.820 1.00 0.30 H new ATOM 0 HB3 LEU A 40 -16.647 -14.698 -6.955 1.00 0.30 H new ATOM 0 HG LEU A 40 -19.542 -14.890 -6.168 1.00 10.34 H new ATOM 0 HD11 LEU A 40 -19.575 -16.592 -7.932 1.00 71.13 H new ATOM 0 HD12 LEU A 40 -19.012 -15.014 -8.531 1.00 71.13 H new ATOM 0 HD13 LEU A 40 -17.841 -16.317 -8.220 1.00 71.13 H new ATOM 0 HD21 LEU A 40 -19.201 -17.251 -5.607 1.00 34.22 H new ATOM 0 HD22 LEU A 40 -17.442 -17.025 -5.751 1.00 34.22 H new ATOM 0 HD23 LEU A 40 -18.349 -16.162 -4.486 1.00 34.22 H new ATOM 635 N THR A 41 -14.928 -12.912 -4.470 1.00 54.40 N ATOM 636 CA THR A 41 -13.969 -11.827 -4.512 1.00 10.13 C ATOM 637 C THR A 41 -13.392 -11.724 -5.919 1.00 35.04 C ATOM 638 O THR A 41 -12.938 -10.667 -6.355 1.00 65.23 O ATOM 639 CB THR A 41 -12.841 -12.057 -3.486 1.00 13.15 C ATOM 640 OG1 THR A 41 -12.195 -13.315 -3.740 1.00 15.12 O ATOM 641 CG2 THR A 41 -13.398 -12.055 -2.072 1.00 43.10 C ATOM 0 H THR A 41 -14.584 -13.760 -4.020 1.00 54.40 H new ATOM 0 HA THR A 41 -14.472 -10.895 -4.255 1.00 10.13 H new ATOM 0 HB THR A 41 -12.117 -11.248 -3.585 1.00 13.15 H new ATOM 0 HG1 THR A 41 -12.570 -14.000 -3.148 1.00 15.12 H new ATOM 0 HG21 THR A 41 -12.588 -12.219 -1.362 1.00 43.10 H new ATOM 0 HG22 THR A 41 -13.871 -11.094 -1.868 1.00 43.10 H new ATOM 0 HG23 THR A 41 -14.136 -12.851 -1.970 1.00 43.10 H new ATOM 649 N ASP A 42 -13.443 -12.846 -6.619 1.00 25.32 N ATOM 650 CA ASP A 42 -12.978 -12.950 -7.989 1.00 31.03 C ATOM 651 C ASP A 42 -13.881 -13.911 -8.751 1.00 41.24 C ATOM 652 O ASP A 42 -14.405 -14.855 -8.170 1.00 23.40 O ATOM 653 CB ASP A 42 -11.531 -13.446 -7.993 1.00 54.20 C ATOM 654 CG ASP A 42 -11.003 -13.777 -9.370 1.00 32.54 C ATOM 655 OD1 ASP A 42 -10.979 -14.978 -9.721 1.00 61.52 O ATOM 656 OD2 ASP A 42 -10.585 -12.849 -10.089 1.00 70.23 O ATOM 0 H ASP A 42 -13.813 -13.720 -6.245 1.00 25.32 H new ATOM 0 HA ASP A 42 -13.014 -11.976 -8.476 1.00 31.03 H new ATOM 0 HB2 ASP A 42 -10.894 -12.684 -7.544 1.00 54.20 H new ATOM 0 HB3 ASP A 42 -11.459 -14.333 -7.364 1.00 54.20 H new ATOM 661 N CYS A 43 -14.091 -13.657 -10.029 1.00 52.22 N ATOM 662 CA CYS A 43 -14.905 -14.532 -10.863 1.00 30.32 C ATOM 663 C CYS A 43 -14.753 -14.120 -12.317 1.00 33.14 C ATOM 664 O CYS A 43 -14.670 -12.931 -12.622 1.00 54.00 O ATOM 665 CB CYS A 43 -16.380 -14.473 -10.455 1.00 23.25 C ATOM 666 SG CYS A 43 -17.411 -15.723 -11.260 1.00 3.40 S ATOM 0 H CYS A 43 -13.708 -12.848 -10.518 1.00 52.22 H new ATOM 0 HA CYS A 43 -14.562 -15.558 -10.729 1.00 30.32 H new ATOM 0 HB2 CYS A 43 -16.454 -14.596 -9.374 1.00 23.25 H new ATOM 0 HB3 CYS A 43 -16.773 -13.484 -10.691 1.00 23.25 H new ATOM 0 HG CYS A 43 -16.672 -16.731 -11.617 1.00 3.40 H new ATOM 672 N VAL A 44 -14.709 -15.098 -13.205 1.00 1.21 N ATOM 673 CA VAL A 44 -14.513 -14.836 -14.619 1.00 31.14 C ATOM 674 C VAL A 44 -14.763 -16.107 -15.421 1.00 21.04 C ATOM 675 O VAL A 44 -14.537 -17.210 -14.931 1.00 42.01 O ATOM 676 CB VAL A 44 -13.080 -14.320 -14.892 1.00 3.11 C ATOM 677 CG1 VAL A 44 -12.048 -15.398 -14.584 1.00 42.01 C ATOM 678 CG2 VAL A 44 -12.936 -13.821 -16.322 1.00 41.33 C ATOM 0 H VAL A 44 -14.807 -16.086 -12.969 1.00 1.21 H new ATOM 0 HA VAL A 44 -15.221 -14.066 -14.926 1.00 31.14 H new ATOM 0 HB VAL A 44 -12.897 -13.476 -14.227 1.00 3.11 H new ATOM 0 HG11 VAL A 44 -11.048 -15.012 -14.783 1.00 42.01 H new ATOM 0 HG12 VAL A 44 -12.124 -15.685 -13.535 1.00 42.01 H new ATOM 0 HG13 VAL A 44 -12.233 -16.269 -15.213 1.00 42.01 H new ATOM 0 HG21 VAL A 44 -11.918 -13.465 -16.482 1.00 41.33 H new ATOM 0 HG22 VAL A 44 -13.149 -14.635 -17.015 1.00 41.33 H new ATOM 0 HG23 VAL A 44 -13.637 -13.005 -16.495 1.00 41.33 H new ATOM 688 N VAL A 45 -15.250 -15.960 -16.637 1.00 12.31 N ATOM 689 CA VAL A 45 -15.421 -17.102 -17.518 1.00 52.23 C ATOM 690 C VAL A 45 -14.369 -17.077 -18.605 1.00 41.42 C ATOM 691 O VAL A 45 -13.801 -16.027 -18.899 1.00 73.23 O ATOM 692 CB VAL A 45 -16.818 -17.132 -18.168 1.00 15.40 C ATOM 693 CG1 VAL A 45 -17.883 -17.320 -17.109 1.00 74.35 C ATOM 694 CG2 VAL A 45 -17.072 -15.867 -18.974 1.00 52.02 C ATOM 0 H VAL A 45 -15.534 -15.066 -17.038 1.00 12.31 H new ATOM 0 HA VAL A 45 -15.314 -17.998 -16.907 1.00 52.23 H new ATOM 0 HB VAL A 45 -16.860 -17.977 -18.856 1.00 15.40 H new ATOM 0 HG11 VAL A 45 -18.866 -17.340 -17.581 1.00 74.35 H new ATOM 0 HG12 VAL A 45 -17.713 -18.261 -16.585 1.00 74.35 H new ATOM 0 HG13 VAL A 45 -17.838 -16.495 -16.398 1.00 74.35 H new ATOM 0 HG21 VAL A 45 -18.065 -15.914 -19.422 1.00 52.02 H new ATOM 0 HG22 VAL A 45 -17.011 -14.999 -18.318 1.00 52.02 H new ATOM 0 HG23 VAL A 45 -16.323 -15.780 -19.761 1.00 52.02 H new ATOM 704 N MET A 46 -14.093 -18.229 -19.181 1.00 13.45 N ATOM 705 CA MET A 46 -13.198 -18.298 -20.319 1.00 22.43 C ATOM 706 C MET A 46 -14.020 -18.208 -21.579 1.00 33.14 C ATOM 707 O MET A 46 -15.108 -18.769 -21.639 1.00 64.52 O ATOM 708 CB MET A 46 -12.385 -19.588 -20.295 1.00 41.42 C ATOM 709 CG MET A 46 -11.522 -19.695 -19.060 1.00 54.44 C ATOM 710 SD MET A 46 -10.480 -18.251 -18.848 1.00 4.20 S ATOM 711 CE MET A 46 -9.946 -18.506 -17.167 1.00 65.23 C ATOM 0 H MET A 46 -14.473 -19.127 -18.882 1.00 13.45 H new ATOM 0 HA MET A 46 -12.491 -17.469 -20.280 1.00 22.43 H new ATOM 0 HB2 MET A 46 -13.061 -20.442 -20.339 1.00 41.42 H new ATOM 0 HB3 MET A 46 -11.754 -19.634 -21.182 1.00 41.42 H new ATOM 0 HG2 MET A 46 -12.157 -19.817 -18.182 1.00 54.44 H new ATOM 0 HG3 MET A 46 -10.898 -20.586 -19.129 1.00 54.44 H new ATOM 0 HE1 MET A 46 -9.216 -17.743 -16.897 1.00 65.23 H new ATOM 0 HE2 MET A 46 -10.804 -18.439 -16.498 1.00 65.23 H new ATOM 0 HE3 MET A 46 -9.491 -19.492 -17.075 1.00 65.23 H new ATOM 856 N ARG A 55 -16.013 -20.889 -23.026 1.00 71.43 N ATOM 857 CA ARG A 55 -15.194 -22.022 -23.407 1.00 71.43 C ATOM 858 C ARG A 55 -15.680 -23.288 -22.730 1.00 60.34 C ATOM 859 O ARG A 55 -14.975 -24.294 -22.692 1.00 35.03 O ATOM 860 CB ARG A 55 -13.736 -21.755 -23.051 1.00 64.04 C ATOM 861 CG ARG A 55 -13.058 -20.791 -24.005 1.00 64.22 C ATOM 862 CD ARG A 55 -11.760 -21.345 -24.572 1.00 32.02 C ATOM 863 NE ARG A 55 -10.701 -21.452 -23.567 1.00 61.23 N ATOM 864 CZ ARG A 55 -9.889 -20.448 -23.224 1.00 71.02 C ATOM 865 NH1 ARG A 55 -10.076 -19.229 -23.720 1.00 50.25 N ATOM 866 NH2 ARG A 55 -8.896 -20.668 -22.373 1.00 44.15 N ATOM 0 HA ARG A 55 -15.275 -22.161 -24.485 1.00 71.43 H new ATOM 0 HB2 ARG A 55 -13.683 -21.353 -22.039 1.00 64.04 H new ATOM 0 HB3 ARG A 55 -13.190 -22.698 -23.048 1.00 64.04 H new ATOM 0 HG2 ARG A 55 -13.738 -20.558 -24.824 1.00 64.22 H new ATOM 0 HG3 ARG A 55 -12.853 -19.855 -23.485 1.00 64.22 H new ATOM 0 HD2 ARG A 55 -11.947 -22.329 -25.002 1.00 32.02 H new ATOM 0 HD3 ARG A 55 -11.420 -20.702 -25.384 1.00 32.02 H new ATOM 0 HE ARG A 55 -10.575 -22.350 -23.099 1.00 61.23 H new ATOM 0 HH11 ARG A 55 -10.844 -19.054 -24.368 1.00 50.25 H new ATOM 0 HH12 ARG A 55 -9.451 -18.468 -23.453 1.00 50.25 H new ATOM 0 HH21 ARG A 55 -8.755 -21.600 -21.984 1.00 44.15 H new ATOM 0 HH22 ARG A 55 -8.273 -19.905 -22.108 1.00 44.15 H new ATOM 880 N GLY A 56 -16.896 -23.233 -22.212 1.00 65.40 N ATOM 881 CA GLY A 56 -17.456 -24.377 -21.528 1.00 21.44 C ATOM 882 C GLY A 56 -16.962 -24.495 -20.101 1.00 12.22 C ATOM 883 O GLY A 56 -17.240 -25.484 -19.423 1.00 71.13 O ATOM 0 H GLY A 56 -17.505 -22.416 -22.253 1.00 65.40 H new ATOM 0 HA2 GLY A 56 -18.543 -24.301 -21.528 1.00 21.44 H new ATOM 0 HA3 GLY A 56 -17.200 -25.285 -22.074 1.00 21.44 H new ATOM 887 N PHE A 57 -16.233 -23.483 -19.640 1.00 74.33 N ATOM 888 CA PHE A 57 -15.738 -23.463 -18.269 1.00 12.45 C ATOM 889 C PHE A 57 -15.388 -22.047 -17.820 1.00 23.51 C ATOM 890 O PHE A 57 -15.197 -21.143 -18.641 1.00 72.54 O ATOM 891 CB PHE A 57 -14.530 -24.399 -18.092 1.00 15.11 C ATOM 892 CG PHE A 57 -13.417 -24.189 -19.076 1.00 15.54 C ATOM 893 CD1 PHE A 57 -12.542 -23.123 -18.953 1.00 30.34 C ATOM 894 CD2 PHE A 57 -13.243 -25.073 -20.122 1.00 31.25 C ATOM 895 CE1 PHE A 57 -11.518 -22.941 -19.863 1.00 21.21 C ATOM 896 CE2 PHE A 57 -12.222 -24.898 -21.037 1.00 41.13 C ATOM 897 CZ PHE A 57 -11.360 -23.829 -20.908 1.00 72.14 C ATOM 0 H PHE A 57 -15.973 -22.668 -20.195 1.00 74.33 H new ATOM 0 HA PHE A 57 -16.545 -23.828 -17.634 1.00 12.45 H new ATOM 0 HB2 PHE A 57 -14.134 -24.270 -17.085 1.00 15.11 H new ATOM 0 HB3 PHE A 57 -14.874 -25.430 -18.170 1.00 15.11 H new ATOM 0 HD1 PHE A 57 -12.661 -22.426 -18.137 1.00 30.34 H new ATOM 0 HD2 PHE A 57 -13.914 -25.913 -20.227 1.00 31.25 H new ATOM 0 HE1 PHE A 57 -10.842 -22.105 -19.757 1.00 21.21 H new ATOM 0 HE2 PHE A 57 -12.099 -25.597 -21.851 1.00 41.13 H new ATOM 0 HZ PHE A 57 -10.563 -23.687 -21.623 1.00 72.14 H new ATOM 907 N GLY A 58 -15.327 -21.867 -16.508 1.00 60.11 N ATOM 908 CA GLY A 58 -15.009 -20.580 -15.928 1.00 70.31 C ATOM 909 C GLY A 58 -14.491 -20.724 -14.509 1.00 12.41 C ATOM 910 O GLY A 58 -14.310 -21.843 -14.027 1.00 31.11 O ATOM 0 H GLY A 58 -15.496 -22.605 -15.825 1.00 60.11 H new ATOM 0 HA2 GLY A 58 -14.260 -20.078 -16.541 1.00 70.31 H new ATOM 0 HA3 GLY A 58 -15.898 -19.949 -15.930 1.00 70.31 H new ATOM 914 N PHE A 59 -14.259 -19.604 -13.836 1.00 74.40 N ATOM 915 CA PHE A 59 -13.706 -19.622 -12.488 1.00 42.21 C ATOM 916 C PHE A 59 -14.435 -18.651 -11.564 1.00 33.41 C ATOM 917 O PHE A 59 -15.005 -17.650 -12.000 1.00 75.32 O ATOM 918 CB PHE A 59 -12.213 -19.289 -12.515 1.00 32.33 C ATOM 919 CG PHE A 59 -11.368 -20.354 -13.154 1.00 24.23 C ATOM 920 CD1 PHE A 59 -10.891 -21.419 -12.407 1.00 12.32 C ATOM 921 CD2 PHE A 59 -11.047 -20.291 -14.499 1.00 53.55 C ATOM 922 CE1 PHE A 59 -10.110 -22.397 -12.989 1.00 53.42 C ATOM 923 CE2 PHE A 59 -10.266 -21.268 -15.088 1.00 3.33 C ATOM 924 CZ PHE A 59 -9.797 -22.320 -14.333 1.00 1.13 C ATOM 0 H PHE A 59 -14.446 -18.671 -14.202 1.00 74.40 H new ATOM 0 HA PHE A 59 -13.844 -20.630 -12.096 1.00 42.21 H new ATOM 0 HB2 PHE A 59 -12.069 -18.352 -13.053 1.00 32.33 H new ATOM 0 HB3 PHE A 59 -11.867 -19.127 -11.494 1.00 32.33 H new ATOM 0 HD1 PHE A 59 -11.133 -21.485 -11.357 1.00 12.32 H new ATOM 0 HD2 PHE A 59 -11.411 -19.468 -15.096 1.00 53.55 H new ATOM 0 HE1 PHE A 59 -9.744 -23.221 -12.395 1.00 53.42 H new ATOM 0 HE2 PHE A 59 -10.024 -21.206 -16.139 1.00 3.33 H new ATOM 0 HZ PHE A 59 -9.186 -23.084 -14.790 1.00 1.13 H new ATOM 934 N VAL A 60 -14.397 -18.973 -10.282 1.00 51.35 N ATOM 935 CA VAL A 60 -15.056 -18.200 -9.232 1.00 62.45 C ATOM 936 C VAL A 60 -14.263 -18.349 -7.935 1.00 0.45 C ATOM 937 O VAL A 60 -14.102 -19.450 -7.420 1.00 75.21 O ATOM 938 CB VAL A 60 -16.530 -18.651 -9.038 1.00 54.33 C ATOM 939 CG1 VAL A 60 -16.772 -20.013 -9.647 1.00 13.42 C ATOM 940 CG2 VAL A 60 -16.919 -18.659 -7.576 1.00 74.31 C ATOM 0 H VAL A 60 -13.900 -19.792 -9.931 1.00 51.35 H new ATOM 0 HA VAL A 60 -15.081 -17.150 -9.524 1.00 62.45 H new ATOM 0 HB VAL A 60 -17.157 -17.924 -9.555 1.00 54.33 H new ATOM 0 HG11 VAL A 60 -17.812 -20.300 -9.494 1.00 13.42 H new ATOM 0 HG12 VAL A 60 -16.558 -19.977 -10.715 1.00 13.42 H new ATOM 0 HG13 VAL A 60 -16.120 -20.745 -9.171 1.00 13.42 H new ATOM 0 HG21 VAL A 60 -17.956 -18.979 -7.477 1.00 74.31 H new ATOM 0 HG22 VAL A 60 -16.273 -19.348 -7.031 1.00 74.31 H new ATOM 0 HG23 VAL A 60 -16.808 -17.656 -7.165 1.00 74.31 H new ATOM 950 N THR A 61 -13.725 -17.252 -7.441 1.00 3.44 N ATOM 951 CA THR A 61 -12.976 -17.269 -6.202 1.00 34.25 C ATOM 952 C THR A 61 -13.813 -16.660 -5.089 1.00 22.30 C ATOM 953 O THR A 61 -14.145 -15.475 -5.135 1.00 54.22 O ATOM 954 CB THR A 61 -11.670 -16.472 -6.328 1.00 14.04 C ATOM 955 OG1 THR A 61 -11.058 -16.721 -7.606 1.00 62.11 O ATOM 956 CG2 THR A 61 -10.698 -16.841 -5.217 1.00 45.11 C ATOM 0 H THR A 61 -13.793 -16.334 -7.881 1.00 3.44 H new ATOM 0 HA THR A 61 -12.734 -18.307 -5.973 1.00 34.25 H new ATOM 0 HB THR A 61 -11.912 -15.413 -6.242 1.00 14.04 H new ATOM 0 HG1 THR A 61 -11.294 -16.001 -8.228 1.00 62.11 H new ATOM 0 HG21 THR A 61 -9.781 -16.263 -5.329 1.00 45.11 H new ATOM 0 HG22 THR A 61 -11.150 -16.621 -4.250 1.00 45.11 H new ATOM 0 HG23 THR A 61 -10.466 -17.904 -5.275 1.00 45.11 H new ATOM 964 N TYR A 62 -14.158 -17.465 -4.104 1.00 0.15 N ATOM 965 CA TYR A 62 -14.940 -16.989 -2.977 1.00 72.41 C ATOM 966 C TYR A 62 -14.074 -16.167 -2.030 1.00 34.40 C ATOM 967 O TYR A 62 -12.887 -15.947 -2.287 1.00 71.15 O ATOM 968 CB TYR A 62 -15.573 -18.167 -2.233 1.00 64.13 C ATOM 969 CG TYR A 62 -16.752 -18.784 -2.952 1.00 52.33 C ATOM 970 CD1 TYR A 62 -18.047 -18.393 -2.645 1.00 41.12 C ATOM 971 CD2 TYR A 62 -16.578 -19.759 -3.927 1.00 1.12 C ATOM 972 CE1 TYR A 62 -19.133 -18.951 -3.285 1.00 53.43 C ATOM 973 CE2 TYR A 62 -17.662 -20.320 -4.575 1.00 63.22 C ATOM 974 CZ TYR A 62 -18.936 -19.914 -4.248 1.00 63.33 C ATOM 975 OH TYR A 62 -20.020 -20.464 -4.888 1.00 42.04 O ATOM 0 H TYR A 62 -13.910 -18.453 -4.060 1.00 0.15 H new ATOM 0 HA TYR A 62 -15.736 -16.348 -3.357 1.00 72.41 H new ATOM 0 HB2 TYR A 62 -14.815 -18.934 -2.075 1.00 64.13 H new ATOM 0 HB3 TYR A 62 -15.896 -17.830 -1.248 1.00 64.13 H new ATOM 0 HD1 TYR A 62 -18.207 -17.637 -1.890 1.00 41.12 H new ATOM 0 HD2 TYR A 62 -15.580 -20.083 -4.182 1.00 1.12 H new ATOM 0 HE1 TYR A 62 -20.134 -18.634 -3.032 1.00 53.43 H new ATOM 0 HE2 TYR A 62 -17.510 -21.073 -5.334 1.00 63.22 H new ATOM 0 HH TYR A 62 -20.710 -19.779 -5.010 1.00 42.04 H new ATOM 985 N ALA A 63 -14.672 -15.701 -0.948 1.00 64.01 N ATOM 986 CA ALA A 63 -13.950 -14.929 0.039 1.00 34.21 C ATOM 987 C ALA A 63 -13.200 -15.877 0.960 1.00 61.20 C ATOM 988 O ALA A 63 -12.071 -15.609 1.373 1.00 13.51 O ATOM 989 CB ALA A 63 -14.906 -14.044 0.825 1.00 53.32 C ATOM 0 H ALA A 63 -15.659 -15.846 -0.733 1.00 64.01 H new ATOM 0 HA ALA A 63 -13.232 -14.277 -0.459 1.00 34.21 H new ATOM 0 HB1 ALA A 63 -14.346 -13.470 1.563 1.00 53.32 H new ATOM 0 HB2 ALA A 63 -15.414 -13.361 0.143 1.00 53.32 H new ATOM 0 HB3 ALA A 63 -15.644 -14.666 1.332 1.00 53.32 H new ATOM 995 N THR A 64 -13.831 -17.003 1.252 1.00 23.10 N ATOM 996 CA THR A 64 -13.240 -18.008 2.108 1.00 63.03 C ATOM 997 C THR A 64 -13.634 -19.411 1.643 1.00 45.25 C ATOM 998 O THR A 64 -14.667 -19.594 0.994 1.00 35.25 O ATOM 999 CB THR A 64 -13.646 -17.780 3.582 1.00 12.21 C ATOM 1000 OG1 THR A 64 -13.236 -18.883 4.396 1.00 41.51 O ATOM 1001 CG2 THR A 64 -15.145 -17.576 3.712 1.00 71.32 C ATOM 0 H THR A 64 -14.760 -17.241 0.904 1.00 23.10 H new ATOM 0 HA THR A 64 -12.156 -17.921 2.041 1.00 63.03 H new ATOM 0 HB THR A 64 -13.142 -16.877 3.926 1.00 12.21 H new ATOM 0 HG1 THR A 64 -13.500 -18.720 5.325 1.00 41.51 H new ATOM 0 HG21 THR A 64 -15.401 -17.418 4.760 1.00 71.32 H new ATOM 0 HG22 THR A 64 -15.446 -16.705 3.130 1.00 71.32 H new ATOM 0 HG23 THR A 64 -15.666 -18.458 3.340 1.00 71.32 H new ATOM 1009 N VAL A 65 -12.793 -20.390 1.966 1.00 70.25 N ATOM 1010 CA VAL A 65 -12.984 -21.773 1.530 1.00 52.33 C ATOM 1011 C VAL A 65 -14.329 -22.354 1.971 1.00 43.34 C ATOM 1012 O VAL A 65 -14.889 -23.210 1.286 1.00 61.54 O ATOM 1013 CB VAL A 65 -11.850 -22.682 2.046 1.00 55.13 C ATOM 1014 CG1 VAL A 65 -10.521 -22.251 1.457 1.00 21.31 C ATOM 1015 CG2 VAL A 65 -11.787 -22.668 3.566 1.00 14.03 C ATOM 0 H VAL A 65 -11.960 -20.248 2.537 1.00 70.25 H new ATOM 0 HA VAL A 65 -12.968 -21.745 0.440 1.00 52.33 H new ATOM 0 HB VAL A 65 -12.061 -23.703 1.727 1.00 55.13 H new ATOM 0 HG11 VAL A 65 -9.730 -22.901 1.830 1.00 21.31 H new ATOM 0 HG12 VAL A 65 -10.565 -22.320 0.370 1.00 21.31 H new ATOM 0 HG13 VAL A 65 -10.311 -21.221 1.747 1.00 21.31 H new ATOM 0 HG21 VAL A 65 -10.979 -23.317 3.903 1.00 14.03 H new ATOM 0 HG22 VAL A 65 -11.604 -21.651 3.913 1.00 14.03 H new ATOM 0 HG23 VAL A 65 -12.733 -23.026 3.973 1.00 14.03 H new ATOM 1025 N GLU A 66 -14.853 -21.878 3.097 1.00 34.13 N ATOM 1026 CA GLU A 66 -16.113 -22.394 3.621 1.00 70.13 C ATOM 1027 C GLU A 66 -17.278 -22.058 2.696 1.00 54.40 C ATOM 1028 O GLU A 66 -18.326 -22.700 2.748 1.00 34.50 O ATOM 1029 CB GLU A 66 -16.372 -21.862 5.031 1.00 3.14 C ATOM 1030 CG GLU A 66 -16.381 -20.350 5.121 1.00 45.33 C ATOM 1031 CD GLU A 66 -16.625 -19.856 6.527 1.00 53.53 C ATOM 1032 OE1 GLU A 66 -17.773 -19.474 6.834 1.00 22.44 O ATOM 1033 OE2 GLU A 66 -15.671 -19.856 7.334 1.00 41.31 O ATOM 0 H GLU A 66 -14.428 -21.141 3.660 1.00 34.13 H new ATOM 0 HA GLU A 66 -16.031 -23.480 3.672 1.00 70.13 H new ATOM 0 HB2 GLU A 66 -17.330 -22.243 5.383 1.00 3.14 H new ATOM 0 HB3 GLU A 66 -15.607 -22.252 5.703 1.00 3.14 H new ATOM 0 HG2 GLU A 66 -15.427 -19.962 4.764 1.00 45.33 H new ATOM 0 HG3 GLU A 66 -17.153 -19.955 4.461 1.00 45.33 H new ATOM 1040 N GLU A 67 -17.089 -21.059 1.844 1.00 63.41 N ATOM 1041 CA GLU A 67 -18.094 -20.713 0.854 1.00 5.03 C ATOM 1042 C GLU A 67 -17.943 -21.619 -0.358 1.00 55.02 C ATOM 1043 O GLU A 67 -18.927 -22.057 -0.955 1.00 11.55 O ATOM 1044 CB GLU A 67 -17.952 -19.259 0.431 1.00 4.44 C ATOM 1045 CG GLU A 67 -17.803 -18.299 1.590 1.00 64.33 C ATOM 1046 CD GLU A 67 -17.859 -16.858 1.145 1.00 73.42 C ATOM 1047 OE1 GLU A 67 -16.889 -16.396 0.522 1.00 73.13 O ATOM 1048 OE2 GLU A 67 -18.871 -16.181 1.415 1.00 14.42 O ATOM 0 H GLU A 67 -16.251 -20.477 1.820 1.00 63.41 H new ATOM 0 HA GLU A 67 -19.082 -20.849 1.294 1.00 5.03 H new ATOM 0 HB2 GLU A 67 -17.085 -19.163 -0.222 1.00 4.44 H new ATOM 0 HB3 GLU A 67 -18.825 -18.974 -0.155 1.00 4.44 H new ATOM 0 HG2 GLU A 67 -18.593 -18.484 2.317 1.00 64.33 H new ATOM 0 HG3 GLU A 67 -16.855 -18.485 2.095 1.00 64.33 H new ATOM 1055 N VAL A 68 -16.690 -21.900 -0.706 1.00 23.52 N ATOM 1056 CA VAL A 68 -16.372 -22.838 -1.775 1.00 52.21 C ATOM 1057 C VAL A 68 -16.996 -24.194 -1.489 1.00 42.13 C ATOM 1058 O VAL A 68 -17.713 -24.751 -2.322 1.00 43.54 O ATOM 1059 CB VAL A 68 -14.843 -23.010 -1.944 1.00 45.21 C ATOM 1060 CG1 VAL A 68 -14.520 -24.250 -2.761 1.00 63.33 C ATOM 1061 CG2 VAL A 68 -14.237 -21.786 -2.601 1.00 14.54 C ATOM 0 H VAL A 68 -15.873 -21.486 -0.257 1.00 23.52 H new ATOM 0 HA VAL A 68 -16.780 -22.429 -2.699 1.00 52.21 H new ATOM 0 HB VAL A 68 -14.410 -23.128 -0.951 1.00 45.21 H new ATOM 0 HG11 VAL A 68 -13.439 -24.346 -2.864 1.00 63.33 H new ATOM 0 HG12 VAL A 68 -14.916 -25.131 -2.257 1.00 63.33 H new ATOM 0 HG13 VAL A 68 -14.972 -24.163 -3.749 1.00 63.33 H new ATOM 0 HG21 VAL A 68 -13.162 -21.927 -2.711 1.00 14.54 H new ATOM 0 HG22 VAL A 68 -14.686 -21.640 -3.583 1.00 14.54 H new ATOM 0 HG23 VAL A 68 -14.427 -20.909 -1.982 1.00 14.54 H new ATOM 1071 N ASP A 69 -16.732 -24.710 -0.297 1.00 23.42 N ATOM 1072 CA ASP A 69 -17.255 -26.003 0.101 1.00 22.43 C ATOM 1073 C ASP A 69 -18.776 -25.979 0.164 1.00 33.40 C ATOM 1074 O ASP A 69 -19.423 -26.970 -0.154 1.00 51.43 O ATOM 1075 CB ASP A 69 -16.665 -26.450 1.442 1.00 21.02 C ATOM 1076 CG ASP A 69 -15.216 -26.886 1.318 1.00 35.25 C ATOM 1077 OD1 ASP A 69 -14.333 -26.230 1.910 1.00 61.21 O ATOM 1078 OD2 ASP A 69 -14.949 -27.886 0.620 1.00 1.31 O ATOM 0 H ASP A 69 -16.158 -24.250 0.410 1.00 23.42 H new ATOM 0 HA ASP A 69 -16.957 -26.728 -0.656 1.00 22.43 H new ATOM 0 HB2 ASP A 69 -16.736 -25.631 2.158 1.00 21.02 H new ATOM 0 HB3 ASP A 69 -17.257 -27.274 1.840 1.00 21.02 H new ATOM 1083 N ALA A 70 -19.351 -24.841 0.536 1.00 35.12 N ATOM 1084 CA ALA A 70 -20.804 -24.706 0.582 1.00 51.33 C ATOM 1085 C ALA A 70 -21.397 -24.876 -0.810 1.00 52.32 C ATOM 1086 O ALA A 70 -22.433 -25.520 -0.979 1.00 50.52 O ATOM 1087 CB ALA A 70 -21.207 -23.364 1.164 1.00 21.44 C ATOM 0 H ALA A 70 -18.838 -24.003 0.809 1.00 35.12 H new ATOM 0 HA ALA A 70 -21.196 -25.490 1.230 1.00 51.33 H new ATOM 0 HB1 ALA A 70 -22.294 -23.289 1.187 1.00 21.44 H new ATOM 0 HB2 ALA A 70 -20.816 -23.275 2.177 1.00 21.44 H new ATOM 0 HB3 ALA A 70 -20.801 -22.563 0.546 1.00 21.44 H new ATOM 1093 N ALA A 71 -20.726 -24.304 -1.803 1.00 52.42 N ATOM 1094 CA ALA A 71 -21.138 -24.459 -3.190 1.00 51.30 C ATOM 1095 C ALA A 71 -20.957 -25.904 -3.633 1.00 13.42 C ATOM 1096 O ALA A 71 -21.749 -26.431 -4.413 1.00 71.34 O ATOM 1097 CB ALA A 71 -20.347 -23.520 -4.088 1.00 21.52 C ATOM 0 H ALA A 71 -19.894 -23.729 -1.672 1.00 52.42 H new ATOM 0 HA ALA A 71 -22.194 -24.201 -3.272 1.00 51.30 H new ATOM 0 HB1 ALA A 71 -20.668 -23.649 -5.122 1.00 21.52 H new ATOM 0 HB2 ALA A 71 -20.521 -22.489 -3.780 1.00 21.52 H new ATOM 0 HB3 ALA A 71 -19.284 -23.748 -4.007 1.00 21.52 H new ATOM 1103 N MET A 72 -19.917 -26.549 -3.117 1.00 13.12 N ATOM 1104 CA MET A 72 -19.655 -27.949 -3.428 1.00 10.51 C ATOM 1105 C MET A 72 -20.720 -28.848 -2.798 1.00 31.21 C ATOM 1106 O MET A 72 -21.087 -29.880 -3.356 1.00 73.11 O ATOM 1107 CB MET A 72 -18.271 -28.373 -2.934 1.00 73.34 C ATOM 1108 CG MET A 72 -17.116 -27.562 -3.504 1.00 61.41 C ATOM 1109 SD MET A 72 -15.517 -28.280 -3.086 1.00 13.21 S ATOM 1110 CE MET A 72 -14.476 -27.477 -4.296 1.00 12.31 C ATOM 0 H MET A 72 -19.242 -26.125 -2.481 1.00 13.12 H new ATOM 0 HA MET A 72 -19.688 -28.058 -4.512 1.00 10.51 H new ATOM 0 HB2 MET A 72 -18.249 -28.296 -1.847 1.00 73.34 H new ATOM 0 HB3 MET A 72 -18.117 -29.423 -3.183 1.00 73.34 H new ATOM 0 HG2 MET A 72 -17.215 -27.503 -4.588 1.00 61.41 H new ATOM 0 HG3 MET A 72 -17.166 -26.542 -3.123 1.00 61.41 H new ATOM 0 HE1 MET A 72 -13.548 -28.038 -4.407 1.00 12.31 H new ATOM 0 HE2 MET A 72 -14.994 -27.440 -5.254 1.00 12.31 H new ATOM 0 HE3 MET A 72 -14.250 -26.463 -3.966 1.00 12.31 H new ATOM 1120 N ASN A 73 -21.212 -28.449 -1.628 1.00 30.21 N ATOM 1121 CA ASN A 73 -22.283 -29.183 -0.950 1.00 63.10 C ATOM 1122 C ASN A 73 -23.607 -28.989 -1.671 1.00 4.14 C ATOM 1123 O ASN A 73 -24.578 -29.699 -1.413 1.00 42.43 O ATOM 1124 CB ASN A 73 -22.440 -28.726 0.505 1.00 10.24 C ATOM 1125 CG ASN A 73 -21.410 -29.329 1.438 1.00 4.51 C ATOM 1126 OD1 ASN A 73 -21.598 -30.428 1.960 1.00 40.03 O ATOM 1127 ND2 ASN A 73 -20.332 -28.608 1.679 1.00 31.44 N ATOM 0 H ASN A 73 -20.888 -27.622 -1.128 1.00 30.21 H new ATOM 0 HA ASN A 73 -22.007 -30.237 -0.963 1.00 63.10 H new ATOM 0 HB2 ASN A 73 -22.366 -27.639 0.547 1.00 10.24 H new ATOM 0 HB3 ASN A 73 -23.437 -28.991 0.856 1.00 10.24 H new ATOM 0 HD21 ASN A 73 -19.617 -28.957 2.318 1.00 31.44 H new ATOM 0 HD22 ASN A 73 -20.213 -27.702 1.226 1.00 31.44 H new ATOM 1134 N ALA A 74 -23.637 -28.023 -2.575 1.00 72.33 N ATOM 1135 CA ALA A 74 -24.850 -27.680 -3.291 1.00 44.32 C ATOM 1136 C ALA A 74 -24.904 -28.370 -4.654 1.00 74.35 C ATOM 1137 O ALA A 74 -25.693 -27.993 -5.521 1.00 44.53 O ATOM 1138 CB ALA A 74 -24.941 -26.169 -3.441 1.00 2.53 C ATOM 0 H ALA A 74 -22.826 -27.459 -2.830 1.00 72.33 H new ATOM 0 HA ALA A 74 -25.707 -28.033 -2.717 1.00 44.32 H new ATOM 0 HB1 ALA A 74 -25.853 -25.911 -3.979 1.00 2.53 H new ATOM 0 HB2 ALA A 74 -24.959 -25.706 -2.454 1.00 2.53 H new ATOM 0 HB3 ALA A 74 -24.077 -25.806 -3.997 1.00 2.53 H new ATOM 1144 N ARG A 75 -24.071 -29.391 -4.830 1.00 41.44 N ATOM 1145 CA ARG A 75 -24.047 -30.153 -6.074 1.00 11.21 C ATOM 1146 C ARG A 75 -25.202 -31.157 -6.104 1.00 75.11 C ATOM 1147 O ARG A 75 -25.643 -31.630 -5.053 1.00 34.50 O ATOM 1148 CB ARG A 75 -22.700 -30.875 -6.242 1.00 50.42 C ATOM 1149 CG ARG A 75 -22.455 -31.983 -5.228 1.00 21.13 C ATOM 1150 CD ARG A 75 -21.054 -32.566 -5.353 1.00 1.21 C ATOM 1151 NE ARG A 75 -20.807 -33.163 -6.667 1.00 74.23 N ATOM 1152 CZ ARG A 75 -19.992 -34.199 -6.873 1.00 22.13 C ATOM 1153 NH1 ARG A 75 -19.369 -34.770 -5.848 1.00 11.25 N ATOM 1154 NH2 ARG A 75 -19.805 -34.662 -8.102 1.00 13.44 N ATOM 0 H ARG A 75 -23.404 -29.710 -4.127 1.00 41.44 H new ATOM 0 HA ARG A 75 -24.168 -29.459 -6.906 1.00 11.21 H new ATOM 0 HB2 ARG A 75 -22.650 -31.298 -7.245 1.00 50.42 H new ATOM 0 HB3 ARG A 75 -21.896 -30.143 -6.165 1.00 50.42 H new ATOM 0 HG2 ARG A 75 -22.597 -31.591 -4.221 1.00 21.13 H new ATOM 0 HG3 ARG A 75 -23.192 -32.774 -5.369 1.00 21.13 H new ATOM 0 HD2 ARG A 75 -20.320 -31.781 -5.171 1.00 1.21 H new ATOM 0 HD3 ARG A 75 -20.909 -33.322 -4.582 1.00 1.21 H new ATOM 0 HE ARG A 75 -21.287 -32.763 -7.473 1.00 74.23 H new ATOM 0 HH11 ARG A 75 -19.514 -34.416 -4.902 1.00 11.25 H new ATOM 0 HH12 ARG A 75 -18.746 -35.562 -6.007 1.00 11.25 H new ATOM 0 HH21 ARG A 75 -20.284 -34.226 -8.890 1.00 13.44 H new ATOM 0 HH22 ARG A 75 -19.182 -35.454 -8.259 1.00 13.44 H new ATOM 1168 N PRO A 76 -25.718 -31.498 -7.299 1.00 32.12 N ATOM 1169 CA PRO A 76 -25.228 -30.972 -8.578 1.00 62.24 C ATOM 1170 C PRO A 76 -25.561 -29.495 -8.761 1.00 30.34 C ATOM 1171 O PRO A 76 -26.723 -29.091 -8.687 1.00 13.40 O ATOM 1172 CB PRO A 76 -25.957 -31.817 -9.635 1.00 20.23 C ATOM 1173 CG PRO A 76 -26.587 -32.943 -8.886 1.00 74.22 C ATOM 1174 CD PRO A 76 -26.828 -32.434 -7.497 1.00 30.10 C ATOM 0 HA PRO A 76 -24.142 -31.036 -8.646 1.00 62.24 H new ATOM 0 HB2 PRO A 76 -26.708 -31.226 -10.159 1.00 20.23 H new ATOM 0 HB3 PRO A 76 -25.261 -32.188 -10.388 1.00 20.23 H new ATOM 0 HG2 PRO A 76 -27.521 -33.250 -9.356 1.00 74.22 H new ATOM 0 HG3 PRO A 76 -25.935 -33.816 -8.874 1.00 74.22 H new ATOM 0 HD2 PRO A 76 -27.795 -31.939 -7.409 1.00 30.10 H new ATOM 0 HD3 PRO A 76 -26.814 -33.239 -6.763 1.00 30.10 H new ATOM 1182 N HIS A 77 -24.530 -28.703 -8.993 1.00 14.40 N ATOM 1183 CA HIS A 77 -24.676 -27.265 -9.146 1.00 1.43 C ATOM 1184 C HIS A 77 -25.354 -26.940 -10.480 1.00 45.32 C ATOM 1185 O HIS A 77 -25.213 -27.684 -11.453 1.00 32.31 O ATOM 1186 CB HIS A 77 -23.297 -26.606 -9.070 1.00 5.33 C ATOM 1187 CG HIS A 77 -23.342 -25.145 -8.762 1.00 44.40 C ATOM 1188 ND1 HIS A 77 -23.878 -24.245 -9.645 1.00 61.44 N ATOM 1189 CD2 HIS A 77 -22.917 -24.486 -7.659 1.00 12.11 C ATOM 1190 CE1 HIS A 77 -23.775 -23.065 -9.071 1.00 75.00 C ATOM 1191 NE2 HIS A 77 -23.200 -23.157 -7.863 1.00 51.24 N ATOM 0 H HIS A 77 -23.570 -29.036 -9.081 1.00 14.40 H new ATOM 0 HA HIS A 77 -25.303 -26.877 -8.343 1.00 1.43 H new ATOM 0 HB2 HIS A 77 -22.705 -27.111 -8.306 1.00 5.33 H new ATOM 0 HB3 HIS A 77 -22.782 -26.752 -10.020 1.00 5.33 H new ATOM 0 HD2 HIS A 77 -22.447 -24.920 -6.789 1.00 12.11 H new ATOM 0 HE1 HIS A 77 -24.111 -22.140 -9.516 1.00 75.00 H new ATOM 0 HE2 HIS A 77 -23.009 -22.389 -7.220 1.00 51.24 H new ATOM 1199 N LYS A 78 -26.092 -25.839 -10.521 1.00 45.44 N ATOM 1200 CA LYS A 78 -26.817 -25.449 -11.722 1.00 64.51 C ATOM 1201 C LYS A 78 -26.522 -23.995 -12.083 1.00 2.42 C ATOM 1202 O LYS A 78 -26.924 -23.074 -11.367 1.00 64.33 O ATOM 1203 CB LYS A 78 -28.324 -25.631 -11.521 1.00 15.43 C ATOM 1204 CG LYS A 78 -29.139 -25.421 -12.786 1.00 45.40 C ATOM 1205 CD LYS A 78 -29.202 -26.682 -13.632 1.00 33.11 C ATOM 1206 CE LYS A 78 -30.370 -27.576 -13.231 1.00 13.41 C ATOM 1207 NZ LYS A 78 -30.267 -28.064 -11.829 1.00 63.20 N ATOM 0 H LYS A 78 -26.204 -25.199 -9.735 1.00 45.44 H new ATOM 0 HA LYS A 78 -26.485 -26.090 -12.538 1.00 64.51 H new ATOM 0 HB2 LYS A 78 -28.512 -26.635 -11.141 1.00 15.43 H new ATOM 0 HB3 LYS A 78 -28.667 -24.932 -10.758 1.00 15.43 H new ATOM 0 HG2 LYS A 78 -30.150 -25.111 -12.520 1.00 45.40 H new ATOM 0 HG3 LYS A 78 -28.701 -24.612 -13.371 1.00 45.40 H new ATOM 0 HD2 LYS A 78 -29.297 -26.410 -14.683 1.00 33.11 H new ATOM 0 HD3 LYS A 78 -28.269 -27.236 -13.529 1.00 33.11 H new ATOM 0 HE2 LYS A 78 -31.302 -27.024 -13.351 1.00 13.41 H new ATOM 0 HE3 LYS A 78 -30.416 -28.431 -13.906 1.00 13.41 H new ATOM 0 HZ1 LYS A 78 -30.929 -28.853 -11.687 1.00 63.20 H new ATOM 0 HZ2 LYS A 78 -29.296 -28.389 -11.645 1.00 63.20 H new ATOM 0 HZ3 LYS A 78 -30.504 -27.291 -11.174 1.00 63.20 H new ATOM 1221 N VAL A 79 -25.827 -23.796 -13.195 1.00 51.52 N ATOM 1222 CA VAL A 79 -25.514 -22.455 -13.681 1.00 72.32 C ATOM 1223 C VAL A 79 -26.043 -22.279 -15.096 1.00 2.21 C ATOM 1224 O VAL A 79 -25.699 -23.052 -15.984 1.00 52.11 O ATOM 1225 CB VAL A 79 -23.994 -22.183 -13.674 1.00 41.22 C ATOM 1226 CG1 VAL A 79 -23.680 -20.801 -14.232 1.00 23.43 C ATOM 1227 CG2 VAL A 79 -23.433 -22.332 -12.277 1.00 53.44 C ATOM 0 H VAL A 79 -25.467 -24.549 -13.781 1.00 51.52 H new ATOM 0 HA VAL A 79 -25.993 -21.744 -13.008 1.00 72.32 H new ATOM 0 HB VAL A 79 -23.518 -22.922 -14.319 1.00 41.22 H new ATOM 0 HG11 VAL A 79 -22.602 -20.638 -14.215 1.00 23.43 H new ATOM 0 HG12 VAL A 79 -24.041 -20.732 -15.258 1.00 23.43 H new ATOM 0 HG13 VAL A 79 -24.172 -20.042 -13.623 1.00 23.43 H new ATOM 0 HG21 VAL A 79 -22.361 -22.136 -12.293 1.00 53.44 H new ATOM 0 HG22 VAL A 79 -23.922 -21.621 -11.611 1.00 53.44 H new ATOM 0 HG23 VAL A 79 -23.612 -23.346 -11.919 1.00 53.44 H new ATOM 1237 N ASP A 80 -26.892 -21.272 -15.286 1.00 35.11 N ATOM 1238 CA ASP A 80 -27.530 -21.006 -16.582 1.00 35.12 C ATOM 1239 C ASP A 80 -28.382 -22.204 -17.011 1.00 30.25 C ATOM 1240 O ASP A 80 -28.561 -22.475 -18.200 1.00 12.45 O ATOM 1241 CB ASP A 80 -26.482 -20.676 -17.661 1.00 4.45 C ATOM 1242 CG ASP A 80 -27.112 -20.153 -18.937 1.00 14.21 C ATOM 1243 OD1 ASP A 80 -27.710 -19.054 -18.901 1.00 23.23 O ATOM 1244 OD2 ASP A 80 -27.008 -20.833 -19.980 1.00 4.54 O ATOM 0 H ASP A 80 -27.159 -20.617 -14.551 1.00 35.11 H new ATOM 0 HA ASP A 80 -28.178 -20.137 -16.468 1.00 35.12 H new ATOM 0 HB2 ASP A 80 -25.785 -19.933 -17.272 1.00 4.45 H new ATOM 0 HB3 ASP A 80 -25.902 -21.571 -17.886 1.00 4.45 H new ATOM 1249 N GLY A 81 -28.932 -22.910 -16.032 1.00 64.33 N ATOM 1250 CA GLY A 81 -29.703 -24.102 -16.325 1.00 75.42 C ATOM 1251 C GLY A 81 -28.823 -25.234 -16.811 1.00 3.40 C ATOM 1252 O GLY A 81 -29.280 -26.145 -17.504 1.00 24.24 O ATOM 0 H GLY A 81 -28.858 -22.679 -15.041 1.00 64.33 H new ATOM 0 HA2 GLY A 81 -30.240 -24.417 -15.430 1.00 75.42 H new ATOM 0 HA3 GLY A 81 -30.453 -23.873 -17.082 1.00 75.42 H new ATOM 1256 N ARG A 82 -27.553 -25.165 -16.451 1.00 24.34 N ATOM 1257 CA ARG A 82 -26.582 -26.157 -16.853 1.00 1.45 C ATOM 1258 C ARG A 82 -25.931 -26.775 -15.624 1.00 3.03 C ATOM 1259 O ARG A 82 -25.468 -26.059 -14.736 1.00 12.01 O ATOM 1260 CB ARG A 82 -25.526 -25.504 -17.746 1.00 34.20 C ATOM 1261 CG ARG A 82 -24.558 -26.483 -18.377 1.00 50.32 C ATOM 1262 CD ARG A 82 -25.294 -27.524 -19.199 1.00 63.24 C ATOM 1263 NE ARG A 82 -26.289 -26.918 -20.086 1.00 22.11 N ATOM 1264 CZ ARG A 82 -27.079 -27.607 -20.904 1.00 41.33 C ATOM 1265 NH1 ARG A 82 -26.937 -28.920 -21.025 1.00 15.12 N ATOM 1266 NH2 ARG A 82 -28.000 -26.970 -21.614 1.00 12.45 N ATOM 0 H ARG A 82 -27.170 -24.418 -15.872 1.00 24.34 H new ATOM 0 HA ARG A 82 -27.081 -26.947 -17.414 1.00 1.45 H new ATOM 0 HB2 ARG A 82 -26.029 -24.946 -18.536 1.00 34.20 H new ATOM 0 HB3 ARG A 82 -24.962 -24.782 -17.155 1.00 34.20 H new ATOM 0 HG2 ARG A 82 -23.854 -25.945 -19.012 1.00 50.32 H new ATOM 0 HG3 ARG A 82 -23.974 -26.975 -17.599 1.00 50.32 H new ATOM 0 HD2 ARG A 82 -24.577 -28.091 -19.792 1.00 63.24 H new ATOM 0 HD3 ARG A 82 -25.786 -28.232 -18.532 1.00 63.24 H new ATOM 0 HE ARG A 82 -26.382 -25.902 -20.076 1.00 22.11 H new ATOM 0 HH11 ARG A 82 -26.219 -29.407 -20.489 1.00 15.12 H new ATOM 0 HH12 ARG A 82 -27.546 -29.443 -21.654 1.00 15.12 H new ATOM 0 HH21 ARG A 82 -28.099 -25.958 -21.531 1.00 12.45 H new ATOM 0 HH22 ARG A 82 -28.610 -27.492 -22.244 1.00 12.45 H new ATOM 1280 N VAL A 83 -25.928 -28.097 -15.561 1.00 30.31 N ATOM 1281 CA VAL A 83 -25.294 -28.805 -14.461 1.00 34.45 C ATOM 1282 C VAL A 83 -23.779 -28.715 -14.592 1.00 30.42 C ATOM 1283 O VAL A 83 -23.183 -29.350 -15.463 1.00 23.44 O ATOM 1284 CB VAL A 83 -25.719 -30.289 -14.416 1.00 31.32 C ATOM 1285 CG1 VAL A 83 -25.122 -30.986 -13.203 1.00 73.21 C ATOM 1286 CG2 VAL A 83 -27.236 -30.414 -14.416 1.00 24.13 C ATOM 0 H VAL A 83 -26.358 -28.702 -16.260 1.00 30.31 H new ATOM 0 HA VAL A 83 -25.617 -28.332 -13.534 1.00 34.45 H new ATOM 0 HB VAL A 83 -25.336 -30.779 -15.311 1.00 31.32 H new ATOM 0 HG11 VAL A 83 -25.435 -32.030 -13.193 1.00 73.21 H new ATOM 0 HG12 VAL A 83 -24.034 -30.934 -13.252 1.00 73.21 H new ATOM 0 HG13 VAL A 83 -25.468 -30.494 -12.294 1.00 73.21 H new ATOM 0 HG21 VAL A 83 -27.514 -31.467 -14.384 1.00 24.13 H new ATOM 0 HG22 VAL A 83 -27.643 -29.904 -13.543 1.00 24.13 H new ATOM 0 HG23 VAL A 83 -27.639 -29.960 -15.321 1.00 24.13 H new ATOM 1296 N VAL A 84 -23.160 -27.906 -13.748 1.00 40.43 N ATOM 1297 CA VAL A 84 -21.724 -27.713 -13.806 1.00 64.13 C ATOM 1298 C VAL A 84 -21.027 -28.547 -12.742 1.00 22.55 C ATOM 1299 O VAL A 84 -21.675 -29.119 -11.863 1.00 43.11 O ATOM 1300 CB VAL A 84 -21.343 -26.230 -13.621 1.00 1.04 C ATOM 1301 CG1 VAL A 84 -21.984 -25.375 -14.701 1.00 20.41 C ATOM 1302 CG2 VAL A 84 -21.739 -25.734 -12.237 1.00 74.41 C ATOM 0 H VAL A 84 -23.630 -27.374 -13.016 1.00 40.43 H new ATOM 0 HA VAL A 84 -21.396 -28.035 -14.794 1.00 64.13 H new ATOM 0 HB VAL A 84 -20.260 -26.145 -13.712 1.00 1.04 H new ATOM 0 HG11 VAL A 84 -21.704 -24.332 -14.554 1.00 20.41 H new ATOM 0 HG12 VAL A 84 -21.641 -25.708 -15.680 1.00 20.41 H new ATOM 0 HG13 VAL A 84 -23.068 -25.471 -14.645 1.00 20.41 H new ATOM 0 HG21 VAL A 84 -21.459 -24.686 -12.132 1.00 74.41 H new ATOM 0 HG22 VAL A 84 -22.816 -25.837 -12.108 1.00 74.41 H new ATOM 0 HG23 VAL A 84 -21.225 -26.324 -11.478 1.00 74.41 H new ATOM 1312 N GLU A 85 -19.712 -28.617 -12.826 1.00 52.43 N ATOM 1313 CA GLU A 85 -18.927 -29.342 -11.842 1.00 32.44 C ATOM 1314 C GLU A 85 -17.865 -28.424 -11.251 1.00 32.13 C ATOM 1315 O GLU A 85 -16.874 -28.099 -11.908 1.00 73.31 O ATOM 1316 CB GLU A 85 -18.291 -30.583 -12.470 1.00 74.32 C ATOM 1317 CG GLU A 85 -17.535 -31.453 -11.479 1.00 75.25 C ATOM 1318 CD GLU A 85 -17.054 -32.747 -12.097 1.00 53.35 C ATOM 1319 OE1 GLU A 85 -16.091 -32.711 -12.890 1.00 44.34 O ATOM 1320 OE2 GLU A 85 -17.640 -33.810 -11.798 1.00 35.34 O ATOM 0 H GLU A 85 -19.163 -28.180 -13.566 1.00 52.43 H new ATOM 0 HA GLU A 85 -19.584 -29.675 -11.039 1.00 32.44 H new ATOM 0 HB2 GLU A 85 -19.071 -31.180 -12.942 1.00 74.32 H new ATOM 0 HB3 GLU A 85 -17.608 -30.270 -13.259 1.00 74.32 H new ATOM 0 HG2 GLU A 85 -16.680 -30.899 -11.092 1.00 75.25 H new ATOM 0 HG3 GLU A 85 -18.181 -31.677 -10.630 1.00 75.25 H new ATOM 1327 N PRO A 86 -18.087 -27.967 -10.014 1.00 32.54 N ATOM 1328 CA PRO A 86 -17.201 -27.044 -9.329 1.00 31.21 C ATOM 1329 C PRO A 86 -16.140 -27.754 -8.487 1.00 35.14 C ATOM 1330 O PRO A 86 -16.453 -28.414 -7.492 1.00 12.35 O ATOM 1331 CB PRO A 86 -18.168 -26.252 -8.446 1.00 42.14 C ATOM 1332 CG PRO A 86 -19.366 -27.133 -8.239 1.00 10.33 C ATOM 1333 CD PRO A 86 -19.240 -28.311 -9.175 1.00 52.11 C ATOM 0 HA PRO A 86 -16.623 -26.430 -10.020 1.00 31.21 H new ATOM 0 HB2 PRO A 86 -17.704 -25.996 -7.493 1.00 42.14 H new ATOM 0 HB3 PRO A 86 -18.452 -25.315 -8.924 1.00 42.14 H new ATOM 0 HG2 PRO A 86 -19.417 -27.471 -7.204 1.00 10.33 H new ATOM 0 HG3 PRO A 86 -20.285 -26.582 -8.440 1.00 10.33 H new ATOM 0 HD2 PRO A 86 -19.075 -29.240 -8.629 1.00 52.11 H new ATOM 0 HD3 PRO A 86 -20.142 -28.447 -9.771 1.00 52.11 H new ATOM 1341 N LYS A 87 -14.883 -27.617 -8.889 1.00 32.55 N ATOM 1342 CA LYS A 87 -13.778 -28.266 -8.189 1.00 2.21 C ATOM 1343 C LYS A 87 -12.736 -27.242 -7.748 1.00 64.01 C ATOM 1344 O LYS A 87 -12.703 -26.129 -8.262 1.00 73.34 O ATOM 1345 CB LYS A 87 -13.125 -29.317 -9.089 1.00 43.51 C ATOM 1346 CG LYS A 87 -14.084 -30.399 -9.562 1.00 55.30 C ATOM 1347 CD LYS A 87 -13.359 -31.507 -10.309 1.00 33.10 C ATOM 1348 CE LYS A 87 -12.618 -30.976 -11.526 1.00 3.22 C ATOM 1349 NZ LYS A 87 -11.822 -32.040 -12.192 1.00 74.14 N ATOM 0 H LYS A 87 -14.601 -27.062 -9.697 1.00 32.55 H new ATOM 0 HA LYS A 87 -14.180 -28.754 -7.301 1.00 2.21 H new ATOM 0 HB2 LYS A 87 -12.694 -28.821 -9.958 1.00 43.51 H new ATOM 0 HB3 LYS A 87 -12.302 -29.784 -8.548 1.00 43.51 H new ATOM 0 HG2 LYS A 87 -14.608 -30.821 -8.704 1.00 55.30 H new ATOM 0 HG3 LYS A 87 -14.840 -29.957 -10.211 1.00 55.30 H new ATOM 0 HD2 LYS A 87 -12.653 -31.996 -9.638 1.00 33.10 H new ATOM 0 HD3 LYS A 87 -14.077 -32.264 -10.623 1.00 33.10 H new ATOM 0 HE2 LYS A 87 -13.334 -30.559 -12.235 1.00 3.22 H new ATOM 0 HE3 LYS A 87 -11.958 -30.163 -11.224 1.00 3.22 H new ATOM 0 HZ1 LYS A 87 -11.331 -31.641 -13.017 1.00 74.14 H new ATOM 0 HZ2 LYS A 87 -11.122 -32.420 -11.523 1.00 74.14 H new ATOM 0 HZ3 LYS A 87 -12.455 -32.804 -12.502 1.00 74.14 H new ATOM 1363 N ARG A 88 -11.894 -27.620 -6.791 1.00 23.43 N ATOM 1364 CA ARG A 88 -10.820 -26.749 -6.312 1.00 41.14 C ATOM 1365 C ARG A 88 -9.845 -26.451 -7.450 1.00 50.13 C ATOM 1366 O ARG A 88 -9.335 -27.374 -8.094 1.00 34.13 O ATOM 1367 CB ARG A 88 -10.069 -27.418 -5.154 1.00 52.40 C ATOM 1368 CG ARG A 88 -9.954 -26.568 -3.894 1.00 71.11 C ATOM 1369 CD ARG A 88 -11.311 -26.361 -3.243 1.00 63.12 C ATOM 1370 NE ARG A 88 -11.211 -25.871 -1.867 1.00 33.13 N ATOM 1371 CZ ARG A 88 -12.056 -26.222 -0.896 1.00 32.13 C ATOM 1372 NH1 ARG A 88 -12.988 -27.139 -1.125 1.00 31.23 N ATOM 1373 NH2 ARG A 88 -11.941 -25.694 0.317 1.00 41.14 N ATOM 0 H ARG A 88 -11.933 -28.528 -6.328 1.00 23.43 H new ATOM 0 HA ARG A 88 -11.259 -25.816 -5.958 1.00 41.14 H new ATOM 0 HB2 ARG A 88 -10.574 -28.351 -4.902 1.00 52.40 H new ATOM 0 HB3 ARG A 88 -9.066 -27.680 -5.492 1.00 52.40 H new ATOM 0 HG2 ARG A 88 -9.279 -27.051 -3.187 1.00 71.11 H new ATOM 0 HG3 ARG A 88 -9.516 -25.601 -4.143 1.00 71.11 H new ATOM 0 HD2 ARG A 88 -11.889 -25.652 -3.835 1.00 63.12 H new ATOM 0 HD3 ARG A 88 -11.860 -27.303 -3.250 1.00 63.12 H new ATOM 0 HE ARG A 88 -10.454 -25.226 -1.638 1.00 33.13 H new ATOM 0 HH11 ARG A 88 -13.059 -27.576 -2.044 1.00 31.23 H new ATOM 0 HH12 ARG A 88 -13.634 -27.407 -0.382 1.00 31.23 H new ATOM 0 HH21 ARG A 88 -11.204 -25.016 0.510 1.00 41.14 H new ATOM 0 HH22 ARG A 88 -12.590 -25.966 1.055 1.00 41.14 H new ATOM 1387 N ALA A 89 -9.584 -25.176 -7.694 1.00 64.41 N ATOM 1388 CA ALA A 89 -8.730 -24.769 -8.802 1.00 31.22 C ATOM 1389 C ALA A 89 -7.262 -25.099 -8.544 1.00 71.03 C ATOM 1390 O ALA A 89 -6.826 -25.217 -7.398 1.00 71.42 O ATOM 1391 CB ALA A 89 -8.894 -23.286 -9.077 1.00 11.12 C ATOM 0 H ALA A 89 -9.952 -24.403 -7.139 1.00 64.41 H new ATOM 0 HA ALA A 89 -9.044 -25.334 -9.680 1.00 31.22 H new ATOM 0 HB1 ALA A 89 -8.250 -22.996 -9.907 1.00 11.12 H new ATOM 0 HB2 ALA A 89 -9.932 -23.076 -9.333 1.00 11.12 H new ATOM 0 HB3 ALA A 89 -8.618 -22.718 -8.188 1.00 11.12 H new ATOM 1397 N VAL A 90 -6.514 -25.260 -9.626 1.00 63.33 N ATOM 1398 CA VAL A 90 -5.085 -25.535 -9.556 1.00 31.23 C ATOM 1399 C VAL A 90 -4.309 -24.275 -9.920 1.00 52.11 C ATOM 1400 O VAL A 90 -4.726 -23.528 -10.801 1.00 61.41 O ATOM 1401 CB VAL A 90 -4.687 -26.678 -10.520 1.00 62.03 C ATOM 1402 CG1 VAL A 90 -3.206 -27.020 -10.393 1.00 54.34 C ATOM 1403 CG2 VAL A 90 -5.544 -27.910 -10.272 1.00 12.10 C ATOM 0 H VAL A 90 -6.880 -25.204 -10.577 1.00 63.33 H new ATOM 0 HA VAL A 90 -4.845 -25.845 -8.539 1.00 31.23 H new ATOM 0 HB VAL A 90 -4.863 -26.332 -11.538 1.00 62.03 H new ATOM 0 HG11 VAL A 90 -2.958 -27.826 -11.083 1.00 54.34 H new ATOM 0 HG12 VAL A 90 -2.608 -26.141 -10.632 1.00 54.34 H new ATOM 0 HG13 VAL A 90 -2.992 -27.337 -9.372 1.00 54.34 H new ATOM 0 HG21 VAL A 90 -5.249 -28.703 -10.960 1.00 12.10 H new ATOM 0 HG22 VAL A 90 -5.405 -28.249 -9.246 1.00 12.10 H new ATOM 0 HG23 VAL A 90 -6.593 -27.662 -10.433 1.00 12.10 H new