USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1150 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 45 THR OG1 : rot -160:sc= 0 USER MOD Set 1.2: A 67 HIS :FLIP no HD1:sc= -1 F(o=-2,f=-1) USER MOD Set 2.1: A 10 TYR OH : rot 171:sc= -0.522 USER MOD Set 2.2: A 113 SER OG : rot -159:sc= -1.03! USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -147:sc= 0.622 (180deg=-1.97!) USER MOD Single : A 3 TYR OH : rot 18:sc= 1 USER MOD Single : A 14 MET CE :methyl 150:sc= 0 (180deg=-0.096) USER MOD Single : A 23 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.25) USER MOD Single : A 24 ASN : amide:sc= -0.012 K(o=-0.012,f=-1) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 151:sc= 1.12 (180deg=0.261) USER MOD Single : A 31 THR OG1 : rot 66:sc= 0.826 USER MOD Single : A 34 LYS NZ :NH3+ -153:sc= 2.39 (180deg=1.04) USER MOD Single : A 38 LYS NZ :NH3+ -155:sc= 0.308 (180deg=0.106) USER MOD Single : A 42 TYR OH : rot 162:sc= 0.527 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.73 K(o=-1.7,f=-9.1!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -150:sc= 1.12 (180deg=1.11) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 135:sc= -0.0627 (180deg=-0.337) USER MOD Single : A 56 SER OG : rot 170:sc= 0.00273 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -133:sc= -2.34 (180deg=-3.64!) USER MOD Single : A 71 LYS NZ :NH3+ -156:sc= 1.27 (180deg=0.93) USER MOD Single : A 72 SER OG : rot 67:sc= 1.19 USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= -0.0157 (180deg=-0.112) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.066) USER MOD Single : A 88 SER OG : rot -78:sc= 1.25 USER MOD Single : A 96 LYS NZ :NH3+ -148:sc= -0.563 (180deg=-1.12) USER MOD Single : A 99 TYR OH : rot 165:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= -2.88! USER MOD Single : A 101 THR OG1 : rot 173:sc= -1.85! USER MOD Single : A 103 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0476 USER MOD Single : A 107 LYS NZ :NH3+ 152:sc= 1.24 (180deg=0.602) USER MOD Single : A 111 LYS NZ :NH3+ 161:sc= 1.17 (180deg=1.07) USER MOD Single : A 115 LYS NZ :NH3+ -118:sc= 0.822 (180deg=-0.197) USER MOD Single : A 119 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.05) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 160:sc= -0.0671 (180deg=-0.381) USER MOD Single : A 124 MET CE :methyl -127:sc= -1.31 (180deg=-1.39) USER MOD Single : A 125 SER OG : rot 119:sc= 1.26 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0472) USER MOD Single : A 135 GLN : amide:sc= -0.954 K(o=-0.95,f=-3.7!) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 SER OG : rot 80:sc= 0.197 USER MOD Single : A 147 LYS NZ :NH3+ 156:sc= 1.22 (180deg=0.215) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 1 3.992 19.254 -8.554 1.00 1.03 N ATOM 222 CA PHE A 1 3.441 17.918 -8.680 1.00 1.07 C ATOM 223 C PHE A 1 1.972 17.936 -9.102 1.00 0.89 C ATOM 224 O PHE A 1 1.136 18.608 -8.496 1.00 0.81 O ATOM 225 CB PHE A 1 3.598 17.185 -7.345 1.00 1.39 C ATOM 226 CG PHE A 1 2.713 15.984 -7.212 1.00 0.93 C ATOM 227 CD1 PHE A 1 2.873 14.898 -8.052 1.00 1.11 C ATOM 228 CD2 PHE A 1 1.738 15.936 -6.236 1.00 1.15 C ATOM 229 CE1 PHE A 1 2.072 13.782 -7.923 1.00 1.14 C ATOM 230 CE2 PHE A 1 0.933 14.827 -6.100 1.00 1.47 C ATOM 231 CZ PHE A 1 1.056 13.772 -6.980 1.00 1.31 C ATOM 0 H1 PHE A 1 4.990 19.192 -8.266 1.00 1.03 H new ATOM 0 H2 PHE A 1 3.925 19.745 -9.468 1.00 1.03 H new ATOM 0 H3 PHE A 1 3.457 19.784 -7.837 1.00 1.03 H new ATOM 0 HA PHE A 1 3.991 17.397 -9.464 1.00 1.07 H new ATOM 0 HB2 PHE A 1 4.637 16.875 -7.230 1.00 1.39 H new ATOM 0 HB3 PHE A 1 3.381 17.878 -6.532 1.00 1.39 H new ATOM 0 HD1 PHE A 1 3.634 14.923 -8.818 1.00 1.11 H new ATOM 0 HD2 PHE A 1 1.605 16.777 -5.572 1.00 1.15 H new ATOM 0 HE1 PHE A 1 2.236 12.921 -8.554 1.00 1.14 H new ATOM 0 HE2 PHE A 1 0.205 14.783 -5.304 1.00 1.47 H new ATOM 0 HZ PHE A 1 0.365 12.943 -6.935 1.00 1.31 H new ATOM 241 N LYS A 2 1.667 17.185 -10.148 1.00 0.96 N ATOM 242 CA LYS A 2 0.297 16.993 -10.585 1.00 0.98 C ATOM 243 C LYS A 2 -0.021 15.506 -10.607 1.00 1.01 C ATOM 244 O LYS A 2 0.671 14.724 -11.255 1.00 1.42 O ATOM 245 CB LYS A 2 0.075 17.614 -11.969 1.00 1.14 C ATOM 246 CG LYS A 2 0.358 19.110 -12.010 1.00 1.62 C ATOM 247 CD LYS A 2 0.105 19.717 -13.384 1.00 2.02 C ATOM 248 CE LYS A 2 -1.365 20.046 -13.622 1.00 2.67 C ATOM 249 NZ LYS A 2 -2.200 18.840 -13.869 1.00 3.15 N ATOM 0 H LYS A 2 2.359 16.694 -10.714 1.00 0.96 H new ATOM 0 HA LYS A 2 -0.373 17.493 -9.886 1.00 0.98 H new ATOM 0 HB2 LYS A 2 0.716 17.110 -12.693 1.00 1.14 H new ATOM 0 HB3 LYS A 2 -0.955 17.437 -12.278 1.00 1.14 H new ATOM 0 HG2 LYS A 2 -0.267 19.615 -11.273 1.00 1.62 H new ATOM 0 HG3 LYS A 2 1.395 19.288 -11.724 1.00 1.62 H new ATOM 0 HD2 LYS A 2 0.698 20.626 -13.490 1.00 2.02 H new ATOM 0 HD3 LYS A 2 0.446 19.022 -14.152 1.00 2.02 H new ATOM 0 HE2 LYS A 2 -1.756 20.581 -12.756 1.00 2.67 H new ATOM 0 HE3 LYS A 2 -1.447 20.719 -14.476 1.00 2.67 H new ATOM 0 HZ1 LYS A 2 -2.965 19.077 -14.532 1.00 3.15 H new ATOM 0 HZ2 LYS A 2 -1.610 18.087 -14.277 1.00 3.15 H new ATOM 0 HZ3 LYS A 2 -2.609 18.511 -12.971 1.00 3.15 H new ATOM 263 N TYR A 3 -1.070 15.121 -9.890 1.00 0.91 N ATOM 264 CA TYR A 3 -1.435 13.713 -9.745 1.00 0.94 C ATOM 265 C TYR A 3 -1.916 13.145 -11.078 1.00 1.01 C ATOM 266 O TYR A 3 -1.938 11.932 -11.285 1.00 0.90 O ATOM 267 CB TYR A 3 -2.521 13.574 -8.672 1.00 1.02 C ATOM 268 CG TYR A 3 -2.962 12.154 -8.404 1.00 1.12 C ATOM 269 CD1 TYR A 3 -2.072 11.213 -7.908 1.00 1.31 C ATOM 270 CD2 TYR A 3 -4.268 11.756 -8.651 1.00 1.36 C ATOM 271 CE1 TYR A 3 -2.471 9.914 -7.666 1.00 1.62 C ATOM 272 CE2 TYR A 3 -4.674 10.459 -8.413 1.00 1.78 C ATOM 273 CZ TYR A 3 -3.773 9.542 -7.921 1.00 1.87 C ATOM 274 OH TYR A 3 -4.171 8.245 -7.695 1.00 2.35 O ATOM 0 H TYR A 3 -1.687 15.766 -9.397 1.00 0.91 H new ATOM 0 HA TYR A 3 -0.557 13.145 -9.436 1.00 0.94 H new ATOM 0 HB2 TYR A 3 -2.152 14.008 -7.742 1.00 1.02 H new ATOM 0 HB3 TYR A 3 -3.389 14.159 -8.975 1.00 1.02 H new ATOM 0 HD1 TYR A 3 -1.051 11.501 -7.708 1.00 1.31 H new ATOM 0 HD2 TYR A 3 -4.978 12.473 -9.036 1.00 1.36 H new ATOM 0 HE1 TYR A 3 -1.766 9.193 -7.279 1.00 1.62 H new ATOM 0 HE2 TYR A 3 -5.694 10.165 -8.612 1.00 1.78 H new ATOM 0 HH TYR A 3 -3.527 7.804 -7.103 1.00 2.35 H new ATOM 284 N GLU A 4 -2.264 14.042 -11.984 1.00 1.38 N ATOM 285 CA GLU A 4 -2.760 13.669 -13.300 1.00 1.74 C ATOM 286 C GLU A 4 -1.595 13.362 -14.239 1.00 1.24 C ATOM 287 O GLU A 4 -1.790 12.873 -15.353 1.00 1.52 O ATOM 288 CB GLU A 4 -3.615 14.797 -13.894 1.00 2.44 C ATOM 289 CG GLU A 4 -4.700 15.330 -12.964 1.00 3.05 C ATOM 290 CD GLU A 4 -4.154 16.240 -11.879 1.00 3.65 C ATOM 291 OE1 GLU A 4 -3.673 17.344 -12.211 1.00 4.16 O ATOM 292 OE2 GLU A 4 -4.185 15.854 -10.694 1.00 3.95 O ATOM 0 H GLU A 4 -2.211 15.049 -11.830 1.00 1.38 H new ATOM 0 HA GLU A 4 -3.377 12.777 -13.190 1.00 1.74 H new ATOM 0 HB2 GLU A 4 -2.960 15.621 -14.176 1.00 2.44 H new ATOM 0 HB3 GLU A 4 -4.085 14.436 -14.809 1.00 2.44 H new ATOM 0 HG2 GLU A 4 -5.439 15.876 -13.551 1.00 3.05 H new ATOM 0 HG3 GLU A 4 -5.218 14.491 -12.500 1.00 3.05 H new ATOM 299 N ASP A 5 -0.385 13.658 -13.783 1.00 0.71 N ATOM 300 CA ASP A 5 0.814 13.465 -14.592 1.00 0.73 C ATOM 301 C ASP A 5 1.500 12.147 -14.239 1.00 0.72 C ATOM 302 O ASP A 5 2.436 11.718 -14.914 1.00 0.90 O ATOM 303 CB ASP A 5 1.779 14.636 -14.391 1.00 1.07 C ATOM 304 CG ASP A 5 2.903 14.649 -15.411 1.00 1.83 C ATOM 305 OD1 ASP A 5 2.613 14.669 -16.625 1.00 2.15 O ATOM 306 OD2 ASP A 5 4.083 14.622 -15.004 1.00 2.57 O ATOM 0 H ASP A 5 -0.206 14.035 -12.852 1.00 0.71 H new ATOM 0 HA ASP A 5 0.519 13.426 -15.641 1.00 0.73 H new ATOM 0 HB2 ASP A 5 1.225 15.573 -14.454 1.00 1.07 H new ATOM 0 HB3 ASP A 5 2.204 14.584 -13.389 1.00 1.07 H new ATOM 311 N ILE A 6 1.014 11.496 -13.191 1.00 0.58 N ATOM 312 CA ILE A 6 1.541 10.199 -12.788 1.00 0.55 C ATOM 313 C ILE A 6 1.031 9.129 -13.745 1.00 0.54 C ATOM 314 O ILE A 6 -0.144 9.146 -14.111 1.00 0.58 O ATOM 315 CB ILE A 6 1.102 9.819 -11.352 1.00 0.55 C ATOM 316 CG1 ILE A 6 1.553 10.872 -10.338 1.00 0.63 C ATOM 317 CG2 ILE A 6 1.647 8.448 -10.963 1.00 0.56 C ATOM 318 CD1 ILE A 6 1.191 10.510 -8.912 1.00 0.69 C ATOM 0 H ILE A 6 0.256 11.845 -12.604 1.00 0.58 H new ATOM 0 HA ILE A 6 2.629 10.263 -12.813 1.00 0.55 H new ATOM 0 HB ILE A 6 0.013 9.778 -11.341 1.00 0.55 H new ATOM 0 HG12 ILE A 6 2.633 11.001 -10.412 1.00 0.63 H new ATOM 0 HG13 ILE A 6 1.099 11.830 -10.591 1.00 0.63 H new ATOM 0 HG21 ILE A 6 1.326 8.203 -9.951 1.00 0.56 H new ATOM 0 HG22 ILE A 6 1.269 7.696 -11.656 1.00 0.56 H new ATOM 0 HG23 ILE A 6 2.736 8.464 -11.004 1.00 0.56 H new ATOM 0 HD11 ILE A 6 1.537 11.294 -8.239 1.00 0.69 H new ATOM 0 HD12 ILE A 6 0.109 10.408 -8.826 1.00 0.69 H new ATOM 0 HD13 ILE A 6 1.667 9.566 -8.644 1.00 0.69 H new ATOM 325 N PRO A 7 1.906 8.209 -14.188 1.00 0.53 N ATOM 326 CA PRO A 7 1.501 7.060 -15.000 1.00 0.55 C ATOM 327 C PRO A 7 0.247 6.393 -14.440 1.00 0.53 C ATOM 328 O PRO A 7 0.274 5.806 -13.356 1.00 0.52 O ATOM 329 CB PRO A 7 2.705 6.128 -14.897 1.00 0.55 C ATOM 330 CG PRO A 7 3.868 7.043 -14.734 1.00 0.60 C ATOM 331 CD PRO A 7 3.364 8.228 -13.952 1.00 0.54 C ATOM 0 HA PRO A 7 1.248 7.332 -16.025 1.00 0.55 H new ATOM 0 HB2 PRO A 7 2.611 5.450 -14.049 1.00 0.55 H new ATOM 0 HB3 PRO A 7 2.807 5.510 -15.789 1.00 0.55 H new ATOM 0 HG2 PRO A 7 4.683 6.547 -14.207 1.00 0.60 H new ATOM 0 HG3 PRO A 7 4.258 7.354 -15.703 1.00 0.60 H new ATOM 0 HD2 PRO A 7 3.599 8.137 -12.892 1.00 0.54 H new ATOM 0 HD3 PRO A 7 3.814 9.158 -14.300 1.00 0.54 H new ATOM 339 N ALA A 8 -0.850 6.499 -15.182 1.00 0.55 N ATOM 340 CA ALA A 8 -2.153 6.053 -14.707 1.00 0.54 C ATOM 341 C ALA A 8 -2.186 4.552 -14.458 1.00 0.55 C ATOM 342 O ALA A 8 -3.004 4.073 -13.672 1.00 0.56 O ATOM 343 CB ALA A 8 -3.246 6.456 -15.686 1.00 0.57 C ATOM 0 H ALA A 8 -0.861 6.894 -16.123 1.00 0.55 H new ATOM 0 HA ALA A 8 -2.336 6.545 -13.752 1.00 0.54 H new ATOM 0 HB1 ALA A 8 -4.212 6.114 -15.314 1.00 0.57 H new ATOM 0 HB2 ALA A 8 -3.260 7.541 -15.789 1.00 0.57 H new ATOM 0 HB3 ALA A 8 -3.050 6.002 -16.657 1.00 0.57 H new ATOM 349 N ASP A 9 -1.283 3.813 -15.094 1.00 0.55 N ATOM 350 CA ASP A 9 -1.238 2.369 -14.904 1.00 0.57 C ATOM 351 C ASP A 9 -0.894 2.057 -13.455 1.00 0.54 C ATOM 352 O ASP A 9 -1.315 1.051 -12.887 1.00 0.55 O ATOM 353 CB ASP A 9 -0.204 1.721 -15.829 1.00 0.61 C ATOM 354 CG ASP A 9 -0.686 1.590 -17.259 1.00 0.93 C ATOM 355 OD1 ASP A 9 -1.323 0.566 -17.585 1.00 1.33 O ATOM 356 OD2 ASP A 9 -0.421 2.505 -18.070 1.00 1.37 O ATOM 0 H ASP A 9 -0.582 4.184 -15.736 1.00 0.55 H new ATOM 0 HA ASP A 9 -2.218 1.960 -15.149 1.00 0.57 H new ATOM 0 HB2 ASP A 9 0.711 2.313 -15.813 1.00 0.61 H new ATOM 0 HB3 ASP A 9 0.049 0.733 -15.445 1.00 0.61 H new ATOM 361 N TYR A 10 -0.114 2.968 -12.874 1.00 0.52 N ATOM 362 CA TYR A 10 0.387 2.833 -11.516 1.00 0.50 C ATOM 363 C TYR A 10 -0.597 3.432 -10.515 1.00 0.49 C ATOM 364 O TYR A 10 -0.642 3.022 -9.358 1.00 0.51 O ATOM 365 CB TYR A 10 1.755 3.521 -11.408 1.00 0.52 C ATOM 366 CG TYR A 10 2.403 3.414 -10.046 1.00 0.53 C ATOM 367 CD1 TYR A 10 3.030 2.243 -9.646 1.00 0.59 C ATOM 368 CD2 TYR A 10 2.391 4.487 -9.160 1.00 0.59 C ATOM 369 CE1 TYR A 10 3.626 2.140 -8.405 1.00 0.66 C ATOM 370 CE2 TYR A 10 2.986 4.389 -7.916 1.00 0.66 C ATOM 371 CZ TYR A 10 3.602 3.213 -7.546 1.00 0.70 C ATOM 372 OH TYR A 10 4.200 3.108 -6.312 1.00 0.80 O ATOM 0 H TYR A 10 0.187 3.824 -13.339 1.00 0.52 H new ATOM 0 HA TYR A 10 0.498 1.775 -11.280 1.00 0.50 H new ATOM 0 HB2 TYR A 10 2.425 3.088 -12.151 1.00 0.52 H new ATOM 0 HB3 TYR A 10 1.639 4.575 -11.660 1.00 0.52 H new ATOM 0 HD1 TYR A 10 3.052 1.397 -10.317 1.00 0.59 H new ATOM 0 HD2 TYR A 10 1.910 5.410 -9.448 1.00 0.59 H new ATOM 0 HE1 TYR A 10 4.109 1.220 -8.110 1.00 0.66 H new ATOM 0 HE2 TYR A 10 2.968 5.229 -7.238 1.00 0.66 H new ATOM 0 HH TYR A 10 4.224 3.989 -5.884 1.00 0.80 H new ATOM 382 N ARG A 11 -1.399 4.399 -10.962 1.00 0.48 N ATOM 383 CA ARG A 11 -2.402 5.004 -10.088 1.00 0.49 C ATOM 384 C ARG A 11 -3.544 4.020 -9.867 1.00 0.50 C ATOM 385 O ARG A 11 -4.317 4.129 -8.913 1.00 0.54 O ATOM 386 CB ARG A 11 -2.928 6.320 -10.672 1.00 0.51 C ATOM 387 CG ARG A 11 -1.942 7.473 -10.572 1.00 0.48 C ATOM 388 CD ARG A 11 -2.536 8.768 -11.113 1.00 0.60 C ATOM 389 NE ARG A 11 -2.427 8.875 -12.568 1.00 0.88 N ATOM 390 CZ ARG A 11 -3.235 9.619 -13.327 1.00 1.19 C ATOM 391 NH1 ARG A 11 -4.264 10.258 -12.785 1.00 1.61 N ATOM 392 NH2 ARG A 11 -3.010 9.724 -14.632 1.00 1.73 N ATOM 0 H ARG A 11 -1.375 4.775 -11.910 1.00 0.48 H new ATOM 0 HA ARG A 11 -1.935 5.235 -9.130 1.00 0.49 H new ATOM 0 HB2 ARG A 11 -3.186 6.164 -11.720 1.00 0.51 H new ATOM 0 HB3 ARG A 11 -3.847 6.594 -10.155 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.650 7.613 -9.531 1.00 0.48 H new ATOM 0 HG3 ARG A 11 -1.037 7.227 -11.127 1.00 0.48 H new ATOM 0 HD2 ARG A 11 -3.586 8.829 -10.826 1.00 0.60 H new ATOM 0 HD3 ARG A 11 -2.030 9.616 -10.652 1.00 0.60 H new ATOM 0 HE ARG A 11 -1.687 8.348 -13.032 1.00 0.88 H new ATOM 0 HH11 ARG A 11 -4.441 10.182 -11.783 1.00 1.61 H new ATOM 0 HH12 ARG A 11 -4.878 10.825 -13.370 1.00 1.61 H new ATOM 0 HH21 ARG A 11 -2.220 9.236 -15.054 1.00 1.73 H new ATOM 0 HH22 ARG A 11 -3.627 10.292 -15.212 1.00 1.73 H new ATOM 406 N ASP A 12 -3.625 3.057 -10.768 1.00 0.48 N ATOM 407 CA ASP A 12 -4.547 1.940 -10.650 1.00 0.50 C ATOM 408 C ASP A 12 -4.088 0.984 -9.551 1.00 0.52 C ATOM 409 O ASP A 12 -4.889 0.251 -8.974 1.00 0.62 O ATOM 410 CB ASP A 12 -4.605 1.196 -11.985 1.00 0.51 C ATOM 411 CG ASP A 12 -5.722 0.173 -12.030 1.00 0.76 C ATOM 412 OD1 ASP A 12 -6.898 0.573 -12.130 1.00 1.02 O ATOM 413 OD2 ASP A 12 -5.428 -1.038 -11.957 1.00 0.99 O ATOM 0 H ASP A 12 -3.048 3.027 -11.609 1.00 0.48 H new ATOM 0 HA ASP A 12 -5.536 2.319 -10.392 1.00 0.50 H new ATOM 0 HB2 ASP A 12 -4.742 1.915 -12.793 1.00 0.51 H new ATOM 0 HB3 ASP A 12 -3.652 0.697 -12.161 1.00 0.51 H new ATOM 418 N LEU A 13 -2.791 1.017 -9.258 1.00 0.50 N ATOM 419 CA LEU A 13 -2.186 0.092 -8.302 1.00 0.53 C ATOM 420 C LEU A 13 -2.109 0.689 -6.895 1.00 0.62 C ATOM 421 O LEU A 13 -1.349 0.208 -6.057 1.00 0.93 O ATOM 422 CB LEU A 13 -0.775 -0.292 -8.762 1.00 0.49 C ATOM 423 CG LEU A 13 -0.681 -0.936 -10.148 1.00 0.44 C ATOM 424 CD1 LEU A 13 0.772 -1.208 -10.510 1.00 0.78 C ATOM 425 CD2 LEU A 13 -1.487 -2.223 -10.198 1.00 0.88 C ATOM 0 H LEU A 13 -2.134 1.679 -9.672 1.00 0.50 H new ATOM 0 HA LEU A 13 -2.823 -0.792 -8.262 1.00 0.53 H new ATOM 0 HB2 LEU A 13 -0.154 0.604 -8.755 1.00 0.49 H new ATOM 0 HB3 LEU A 13 -0.350 -0.981 -8.032 1.00 0.49 H new ATOM 0 HG LEU A 13 -1.098 -0.241 -10.877 1.00 0.44 H new ATOM 0 HD11 LEU A 13 0.821 -1.666 -11.498 1.00 0.78 H new ATOM 0 HD12 LEU A 13 1.327 -0.270 -10.517 1.00 0.78 H new ATOM 0 HD13 LEU A 13 1.210 -1.883 -9.775 1.00 0.78 H new ATOM 0 HD21 LEU A 13 -1.407 -2.664 -11.191 1.00 0.88 H new ATOM 0 HD22 LEU A 13 -1.101 -2.923 -9.458 1.00 0.88 H new ATOM 0 HD23 LEU A 13 -2.533 -2.006 -9.981 1.00 0.88 H new ATOM 437 N MET A 14 -2.878 1.734 -6.634 1.00 0.55 N ATOM 438 CA MET A 14 -2.901 2.330 -5.304 1.00 0.64 C ATOM 439 C MET A 14 -4.342 2.449 -4.808 1.00 0.55 C ATOM 440 O MET A 14 -5.257 2.690 -5.598 1.00 0.53 O ATOM 441 CB MET A 14 -2.206 3.702 -5.290 1.00 0.82 C ATOM 442 CG MET A 14 -2.911 4.773 -6.103 1.00 0.97 C ATOM 443 SD MET A 14 -2.288 6.439 -5.766 1.00 1.15 S ATOM 444 CE MET A 14 -0.623 6.338 -6.415 1.00 1.04 C ATOM 0 H MET A 14 -3.489 2.184 -7.316 1.00 0.55 H new ATOM 0 HA MET A 14 -2.348 1.676 -4.630 1.00 0.64 H new ATOM 0 HB2 MET A 14 -2.123 4.043 -4.258 1.00 0.82 H new ATOM 0 HB3 MET A 14 -1.191 3.585 -5.669 1.00 0.82 H new ATOM 0 HG2 MET A 14 -2.792 4.554 -7.164 1.00 0.97 H new ATOM 0 HG3 MET A 14 -3.979 4.740 -5.889 1.00 0.97 H new ATOM 0 HE1 MET A 14 -0.311 7.320 -6.771 1.00 1.04 H new ATOM 0 HE2 MET A 14 0.054 6.005 -5.629 1.00 1.04 H new ATOM 0 HE3 MET A 14 -0.597 5.628 -7.241 1.00 1.04 H new ATOM 454 N PRO A 15 -4.558 2.274 -3.488 1.00 0.62 N ATOM 455 CA PRO A 15 -5.900 2.281 -2.889 1.00 0.67 C ATOM 456 C PRO A 15 -6.632 3.599 -3.123 1.00 0.59 C ATOM 457 O PRO A 15 -6.042 4.676 -3.033 1.00 0.57 O ATOM 458 CB PRO A 15 -5.632 2.091 -1.390 1.00 0.88 C ATOM 459 CG PRO A 15 -4.270 1.499 -1.311 1.00 0.90 C ATOM 460 CD PRO A 15 -3.511 2.068 -2.473 1.00 0.74 C ATOM 0 HA PRO A 15 -6.537 1.511 -3.325 1.00 0.67 H new ATOM 0 HB2 PRO A 15 -5.680 3.041 -0.858 1.00 0.88 H new ATOM 0 HB3 PRO A 15 -6.374 1.434 -0.937 1.00 0.88 H new ATOM 0 HG2 PRO A 15 -3.788 1.752 -0.367 1.00 0.90 H new ATOM 0 HG3 PRO A 15 -4.312 0.411 -1.366 1.00 0.90 H new ATOM 0 HD2 PRO A 15 -3.014 3.002 -2.211 1.00 0.74 H new ATOM 0 HD3 PRO A 15 -2.739 1.384 -2.824 1.00 0.74 H new ATOM 468 N PRO A 16 -7.952 3.508 -3.403 1.00 0.65 N ATOM 469 CA PRO A 16 -8.801 4.660 -3.746 1.00 0.70 C ATOM 470 C PRO A 16 -8.768 5.750 -2.685 1.00 0.71 C ATOM 471 O PRO A 16 -8.850 6.939 -2.995 1.00 0.74 O ATOM 472 CB PRO A 16 -10.214 4.058 -3.838 1.00 0.85 C ATOM 473 CG PRO A 16 -10.126 2.725 -3.183 1.00 0.96 C ATOM 474 CD PRO A 16 -8.721 2.254 -3.402 1.00 0.76 C ATOM 0 HA PRO A 16 -8.464 5.142 -4.664 1.00 0.70 H new ATOM 0 HB2 PRO A 16 -10.944 4.693 -3.336 1.00 0.85 H new ATOM 0 HB3 PRO A 16 -10.533 3.964 -4.876 1.00 0.85 H new ATOM 0 HG2 PRO A 16 -10.353 2.796 -2.119 1.00 0.96 H new ATOM 0 HG3 PRO A 16 -10.844 2.028 -3.616 1.00 0.96 H new ATOM 0 HD2 PRO A 16 -8.393 1.579 -2.611 1.00 0.76 H new ATOM 0 HD3 PRO A 16 -8.617 1.715 -4.344 1.00 0.76 H new ATOM 482 N GLU A 17 -8.647 5.328 -1.432 1.00 0.78 N ATOM 483 CA GLU A 17 -8.566 6.243 -0.304 1.00 0.89 C ATOM 484 C GLU A 17 -7.298 7.080 -0.391 1.00 0.84 C ATOM 485 O GLU A 17 -7.312 8.282 -0.134 1.00 1.13 O ATOM 486 CB GLU A 17 -8.600 5.447 1.003 1.00 1.09 C ATOM 487 CG GLU A 17 -9.815 4.536 1.111 1.00 1.48 C ATOM 488 CD GLU A 17 -9.812 3.678 2.360 1.00 1.36 C ATOM 489 OE1 GLU A 17 -10.259 4.169 3.419 1.00 1.83 O ATOM 490 OE2 GLU A 17 -9.340 2.527 2.294 1.00 1.65 O ATOM 0 H GLU A 17 -8.602 4.343 -1.171 1.00 0.78 H new ATOM 0 HA GLU A 17 -9.420 6.920 -0.328 1.00 0.89 H new ATOM 0 HB2 GLU A 17 -7.694 4.846 1.080 1.00 1.09 H new ATOM 0 HB3 GLU A 17 -8.596 6.140 1.845 1.00 1.09 H new ATOM 0 HG2 GLU A 17 -10.719 5.145 1.099 1.00 1.48 H new ATOM 0 HG3 GLU A 17 -9.855 3.889 0.234 1.00 1.48 H new ATOM 497 N ALA A 18 -6.213 6.443 -0.808 1.00 0.72 N ATOM 498 CA ALA A 18 -4.930 7.112 -0.934 1.00 0.73 C ATOM 499 C ALA A 18 -4.871 7.931 -2.221 1.00 0.62 C ATOM 500 O ALA A 18 -3.886 8.628 -2.481 1.00 0.72 O ATOM 501 CB ALA A 18 -3.802 6.093 -0.896 1.00 0.82 C ATOM 0 H ALA A 18 -6.198 5.456 -1.066 1.00 0.72 H new ATOM 0 HA ALA A 18 -4.812 7.795 -0.093 1.00 0.73 H new ATOM 0 HB1 ALA A 18 -2.845 6.606 -0.991 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -3.831 5.553 0.050 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -3.920 5.389 -1.720 1.00 0.82 H new ATOM 507 N ARG A 19 -5.923 7.826 -3.027 1.00 0.52 N ATOM 508 CA ARG A 19 -6.032 8.596 -4.259 1.00 0.49 C ATOM 509 C ARG A 19 -6.902 9.823 -4.035 1.00 0.50 C ATOM 510 O ARG A 19 -6.613 10.895 -4.555 1.00 0.52 O ATOM 511 CB ARG A 19 -6.621 7.745 -5.386 1.00 0.52 C ATOM 512 CG ARG A 19 -5.848 6.465 -5.640 1.00 0.64 C ATOM 513 CD ARG A 19 -6.230 5.813 -6.961 1.00 0.72 C ATOM 514 NE ARG A 19 -7.630 5.400 -7.006 1.00 1.01 N ATOM 515 CZ ARG A 19 -8.071 4.370 -7.726 1.00 1.43 C ATOM 516 NH1 ARG A 19 -7.216 3.638 -8.433 1.00 1.46 N ATOM 517 NH2 ARG A 19 -9.365 4.074 -7.741 1.00 2.16 N ATOM 0 H ARG A 19 -6.716 7.211 -2.846 1.00 0.52 H new ATOM 0 HA ARG A 19 -5.030 8.912 -4.550 1.00 0.49 H new ATOM 0 HB2 ARG A 19 -7.653 7.495 -5.141 1.00 0.52 H new ATOM 0 HB3 ARG A 19 -6.645 8.335 -6.302 1.00 0.52 H new ATOM 0 HG2 ARG A 19 -4.780 6.682 -5.640 1.00 0.64 H new ATOM 0 HG3 ARG A 19 -6.031 5.765 -4.825 1.00 0.64 H new ATOM 0 HD2 ARG A 19 -6.036 6.512 -7.775 1.00 0.72 H new ATOM 0 HD3 ARG A 19 -5.594 4.944 -7.129 1.00 0.72 H new ATOM 0 HE ARG A 19 -8.307 5.929 -6.456 1.00 1.01 H new ATOM 0 HH11 ARG A 19 -6.222 3.865 -8.424 1.00 1.46 H new ATOM 0 HH12 ARG A 19 -7.554 2.849 -8.984 1.00 1.46 H new ATOM 0 HH21 ARG A 19 -10.023 4.636 -7.201 1.00 2.16 H new ATOM 0 HH22 ARG A 19 -9.701 3.285 -8.293 1.00 2.16 H new ATOM 531 N ASP A 20 -7.963 9.640 -3.249 1.00 0.53 N ATOM 532 CA ASP A 20 -8.892 10.722 -2.898 1.00 0.57 C ATOM 533 C ASP A 20 -8.142 11.963 -2.421 1.00 0.56 C ATOM 534 O ASP A 20 -8.467 13.088 -2.801 1.00 0.57 O ATOM 535 CB ASP A 20 -9.856 10.241 -1.810 1.00 0.63 C ATOM 536 CG ASP A 20 -10.795 11.328 -1.327 1.00 0.80 C ATOM 537 OD1 ASP A 20 -11.678 11.753 -2.101 1.00 1.06 O ATOM 538 OD2 ASP A 20 -10.665 11.752 -0.159 1.00 0.98 O ATOM 0 H ASP A 20 -8.205 8.739 -2.836 1.00 0.53 H new ATOM 0 HA ASP A 20 -9.455 10.993 -3.791 1.00 0.57 H new ATOM 0 HB2 ASP A 20 -10.442 9.407 -2.195 1.00 0.63 H new ATOM 0 HB3 ASP A 20 -9.281 9.863 -0.964 1.00 0.63 H new ATOM 543 N PHE A 21 -7.130 11.737 -1.599 1.00 0.57 N ATOM 544 CA PHE A 21 -6.249 12.797 -1.122 1.00 0.57 C ATOM 545 C PHE A 21 -5.589 13.562 -2.275 1.00 0.55 C ATOM 546 O PHE A 21 -5.726 14.775 -2.344 1.00 0.64 O ATOM 547 CB PHE A 21 -5.194 12.214 -0.179 1.00 0.60 C ATOM 548 CG PHE A 21 -4.291 13.244 0.431 1.00 0.59 C ATOM 549 CD1 PHE A 21 -4.793 14.196 1.302 1.00 0.62 C ATOM 550 CD2 PHE A 21 -2.939 13.265 0.127 1.00 0.64 C ATOM 551 CE1 PHE A 21 -3.965 15.148 1.862 1.00 0.65 C ATOM 552 CE2 PHE A 21 -2.107 14.216 0.682 1.00 0.65 C ATOM 553 CZ PHE A 21 -2.617 15.144 1.569 1.00 0.63 C ATOM 0 H PHE A 21 -6.894 10.811 -1.241 1.00 0.57 H new ATOM 0 HA PHE A 21 -6.859 13.516 -0.575 1.00 0.57 H new ATOM 0 HB2 PHE A 21 -5.696 11.667 0.619 1.00 0.60 H new ATOM 0 HB3 PHE A 21 -4.588 11.493 -0.728 1.00 0.60 H new ATOM 0 HD1 PHE A 21 -5.845 14.194 1.546 1.00 0.62 H new ATOM 0 HD2 PHE A 21 -2.532 12.530 -0.551 1.00 0.64 H new ATOM 0 HE1 PHE A 21 -4.372 15.894 2.528 1.00 0.65 H new ATOM 0 HE2 PHE A 21 -1.059 14.235 0.423 1.00 0.65 H new ATOM 0 HZ PHE A 21 -1.961 15.866 2.033 1.00 0.63 H new ATOM 563 N LEU A 22 -4.904 12.890 -3.188 1.00 0.56 N ATOM 564 CA LEU A 22 -4.216 13.607 -4.272 1.00 0.55 C ATOM 565 C LEU A 22 -5.193 14.008 -5.380 1.00 0.54 C ATOM 566 O LEU A 22 -4.844 14.786 -6.268 1.00 0.57 O ATOM 567 CB LEU A 22 -3.052 12.789 -4.841 1.00 0.56 C ATOM 568 CG LEU A 22 -2.026 12.309 -3.817 1.00 0.65 C ATOM 569 CD1 LEU A 22 -0.937 11.493 -4.491 1.00 1.04 C ATOM 570 CD2 LEU A 22 -1.428 13.487 -3.078 1.00 1.13 C ATOM 0 H LEU A 22 -4.805 11.875 -3.209 1.00 0.56 H new ATOM 0 HA LEU A 22 -3.800 14.518 -3.842 1.00 0.55 H new ATOM 0 HB2 LEU A 22 -3.459 11.920 -5.357 1.00 0.56 H new ATOM 0 HB3 LEU A 22 -2.538 13.392 -5.590 1.00 0.56 H new ATOM 0 HG LEU A 22 -2.533 11.669 -3.095 1.00 0.65 H new ATOM 0 HD11 LEU A 22 -0.216 11.161 -3.744 1.00 1.04 H new ATOM 0 HD12 LEU A 22 -1.381 10.625 -4.978 1.00 1.04 H new ATOM 0 HD13 LEU A 22 -0.431 12.107 -5.236 1.00 1.04 H new ATOM 0 HD21 LEU A 22 -0.699 13.129 -2.352 1.00 1.13 H new ATOM 0 HD22 LEU A 22 -0.936 14.151 -3.789 1.00 1.13 H new ATOM 0 HD23 LEU A 22 -2.218 14.031 -2.561 1.00 1.13 H new ATOM 582 N GLN A 23 -6.403 13.490 -5.328 1.00 0.52 N ATOM 583 CA GLN A 23 -7.509 14.059 -6.081 1.00 0.52 C ATOM 584 C GLN A 23 -7.877 15.446 -5.543 1.00 0.53 C ATOM 585 O GLN A 23 -8.056 16.398 -6.305 1.00 0.54 O ATOM 586 CB GLN A 23 -8.720 13.133 -5.987 1.00 0.53 C ATOM 587 CG GLN A 23 -8.605 11.890 -6.855 1.00 0.78 C ATOM 588 CD GLN A 23 -8.495 12.222 -8.333 1.00 1.38 C ATOM 589 OE1 GLN A 23 -7.397 12.383 -8.867 1.00 2.05 O ATOM 590 NE2 GLN A 23 -9.630 12.328 -9.001 1.00 2.06 N ATOM 0 H GLN A 23 -6.649 12.672 -4.770 1.00 0.52 H new ATOM 0 HA GLN A 23 -7.204 14.163 -7.122 1.00 0.52 H new ATOM 0 HB2 GLN A 23 -8.855 12.830 -4.949 1.00 0.53 H new ATOM 0 HB3 GLN A 23 -9.613 13.686 -6.276 1.00 0.53 H new ATOM 0 HG2 GLN A 23 -7.730 11.316 -6.549 1.00 0.78 H new ATOM 0 HG3 GLN A 23 -9.476 11.255 -6.692 1.00 0.78 H new ATOM 0 HE21 GLN A 23 -10.519 12.187 -8.521 1.00 2.06 H new ATOM 0 HE22 GLN A 23 -9.617 12.551 -9.996 1.00 2.06 H new ATOM 599 N ASN A 24 -7.968 15.550 -4.223 1.00 0.58 N ATOM 600 CA ASN A 24 -8.464 16.765 -3.572 1.00 0.65 C ATOM 601 C ASN A 24 -7.358 17.774 -3.286 1.00 0.60 C ATOM 602 O ASN A 24 -7.611 18.976 -3.205 1.00 0.63 O ATOM 603 CB ASN A 24 -9.175 16.412 -2.265 1.00 0.85 C ATOM 604 CG ASN A 24 -10.525 15.760 -2.488 1.00 1.10 C ATOM 605 OD1 ASN A 24 -11.203 16.019 -3.484 1.00 1.84 O ATOM 606 ND2 ASN A 24 -10.922 14.905 -1.563 1.00 1.21 N ATOM 0 H ASN A 24 -7.705 14.806 -3.576 1.00 0.58 H new ATOM 0 HA ASN A 24 -9.162 17.229 -4.269 1.00 0.65 H new ATOM 0 HB2 ASN A 24 -8.544 15.740 -1.683 1.00 0.85 H new ATOM 0 HB3 ASN A 24 -9.307 17.317 -1.673 1.00 0.85 H new ATOM 0 HD21 ASN A 24 -11.820 14.431 -1.658 1.00 1.21 H new ATOM 0 HD22 ASN A 24 -10.330 14.719 -0.753 1.00 1.21 H new ATOM 613 N LEU A 25 -6.140 17.293 -3.129 1.00 0.60 N ATOM 614 CA LEU A 25 -5.035 18.114 -2.751 1.00 0.65 C ATOM 615 C LEU A 25 -4.540 18.930 -3.950 1.00 0.64 C ATOM 616 O LEU A 25 -4.419 18.418 -5.065 1.00 0.64 O ATOM 617 CB LEU A 25 -3.962 17.194 -2.167 1.00 0.76 C ATOM 618 CG LEU A 25 -2.556 17.690 -2.314 1.00 0.59 C ATOM 619 CD1 LEU A 25 -2.374 18.904 -1.453 1.00 0.81 C ATOM 620 CD2 LEU A 25 -1.542 16.624 -1.951 1.00 1.05 C ATOM 0 H LEU A 25 -5.900 16.311 -3.264 1.00 0.60 H new ATOM 0 HA LEU A 25 -5.320 18.846 -1.995 1.00 0.65 H new ATOM 0 HB2 LEU A 25 -4.170 17.045 -1.107 1.00 0.76 H new ATOM 0 HB3 LEU A 25 -4.040 16.219 -2.648 1.00 0.76 H new ATOM 0 HG LEU A 25 -2.386 17.948 -3.359 1.00 0.59 H new ATOM 0 HD11 LEU A 25 -1.353 19.272 -1.554 1.00 0.81 H new ATOM 0 HD12 LEU A 25 -3.072 19.680 -1.766 1.00 0.81 H new ATOM 0 HD13 LEU A 25 -2.565 18.644 -0.412 1.00 0.81 H new ATOM 0 HD21 LEU A 25 -0.535 17.024 -2.071 1.00 1.05 H new ATOM 0 HD22 LEU A 25 -1.690 16.319 -0.915 1.00 1.05 H new ATOM 0 HD23 LEU A 25 -1.670 15.762 -2.605 1.00 1.05 H new ATOM 632 N SER A 26 -4.259 20.209 -3.698 1.00 0.73 N ATOM 633 CA SER A 26 -3.946 21.161 -4.755 1.00 0.83 C ATOM 634 C SER A 26 -2.551 21.774 -4.573 1.00 1.02 C ATOM 635 O SER A 26 -1.841 21.447 -3.620 1.00 1.78 O ATOM 636 CB SER A 26 -5.019 22.250 -4.791 1.00 0.93 C ATOM 637 OG SER A 26 -5.361 22.671 -3.481 1.00 1.72 O ATOM 0 H SER A 26 -4.243 20.609 -2.760 1.00 0.73 H new ATOM 0 HA SER A 26 -3.937 20.630 -5.707 1.00 0.83 H new ATOM 0 HB2 SER A 26 -4.658 23.102 -5.368 1.00 0.93 H new ATOM 0 HB3 SER A 26 -5.907 21.874 -5.299 1.00 0.93 H new ATOM 0 HG SER A 26 -6.047 23.369 -3.530 1.00 1.72 H new ATOM 643 N ASP A 27 -2.186 22.675 -5.492 1.00 0.96 N ATOM 644 CA ASP A 27 -0.830 23.244 -5.577 1.00 1.11 C ATOM 645 C ASP A 27 -0.334 23.803 -4.245 1.00 1.13 C ATOM 646 O ASP A 27 0.759 23.459 -3.786 1.00 1.95 O ATOM 647 CB ASP A 27 -0.787 24.369 -6.618 1.00 1.42 C ATOM 648 CG ASP A 27 -1.070 23.906 -8.033 1.00 1.84 C ATOM 649 OD1 ASP A 27 -2.175 23.387 -8.286 1.00 2.19 O ATOM 650 OD2 ASP A 27 -0.202 24.097 -8.910 1.00 2.39 O ATOM 0 H ASP A 27 -2.824 23.034 -6.203 1.00 0.96 H new ATOM 0 HA ASP A 27 -0.176 22.422 -5.866 1.00 1.11 H new ATOM 0 HB2 ASP A 27 -1.515 25.133 -6.344 1.00 1.42 H new ATOM 0 HB3 ASP A 27 0.196 24.840 -6.590 1.00 1.42 H new ATOM 655 N GLY A 28 -1.140 24.665 -3.633 1.00 0.93 N ATOM 656 CA GLY A 28 -0.721 25.373 -2.432 1.00 0.87 C ATOM 657 C GLY A 28 -0.254 24.451 -1.325 1.00 0.75 C ATOM 658 O GLY A 28 0.754 24.720 -0.667 1.00 0.73 O ATOM 0 H GLY A 28 -2.084 24.889 -3.949 1.00 0.93 H new ATOM 0 HA2 GLY A 28 0.085 26.061 -2.687 1.00 0.87 H new ATOM 0 HA3 GLY A 28 -1.551 25.977 -2.066 1.00 0.87 H new ATOM 662 N ASP A 29 -0.970 23.357 -1.124 1.00 0.70 N ATOM 663 CA ASP A 29 -0.626 22.409 -0.077 1.00 0.67 C ATOM 664 C ASP A 29 0.495 21.480 -0.523 1.00 0.59 C ATOM 665 O ASP A 29 1.354 21.121 0.274 1.00 0.60 O ATOM 666 CB ASP A 29 -1.847 21.597 0.349 1.00 0.80 C ATOM 667 CG ASP A 29 -2.898 22.433 1.045 1.00 1.47 C ATOM 668 OD1 ASP A 29 -2.720 22.734 2.245 1.00 1.74 O ATOM 669 OD2 ASP A 29 -3.900 22.803 0.398 1.00 2.25 O ATOM 0 H ASP A 29 -1.792 23.103 -1.672 1.00 0.70 H new ATOM 0 HA ASP A 29 -0.275 22.982 0.781 1.00 0.67 H new ATOM 0 HB2 ASP A 29 -2.288 21.126 -0.530 1.00 0.80 H new ATOM 0 HB3 ASP A 29 -1.529 20.795 1.015 1.00 0.80 H new ATOM 674 N LYS A 30 0.501 21.102 -1.799 1.00 0.63 N ATOM 675 CA LYS A 30 1.570 20.258 -2.345 1.00 0.65 C ATOM 676 C LYS A 30 2.930 20.902 -2.108 1.00 0.61 C ATOM 677 O LYS A 30 3.929 20.221 -1.877 1.00 0.65 O ATOM 678 CB LYS A 30 1.377 20.041 -3.843 1.00 0.78 C ATOM 679 CG LYS A 30 0.159 19.213 -4.199 1.00 0.92 C ATOM 680 CD LYS A 30 -0.069 19.208 -5.697 1.00 0.89 C ATOM 681 CE LYS A 30 -1.274 18.371 -6.084 1.00 0.96 C ATOM 682 NZ LYS A 30 -1.521 18.425 -7.545 1.00 1.31 N ATOM 0 H LYS A 30 -0.217 21.363 -2.475 1.00 0.63 H new ATOM 0 HA LYS A 30 1.528 19.296 -1.834 1.00 0.65 H new ATOM 0 HB2 LYS A 30 1.298 21.012 -4.332 1.00 0.78 H new ATOM 0 HB3 LYS A 30 2.265 19.553 -4.245 1.00 0.78 H new ATOM 0 HG2 LYS A 30 0.292 18.191 -3.843 1.00 0.92 H new ATOM 0 HG3 LYS A 30 -0.720 19.615 -3.694 1.00 0.92 H new ATOM 0 HD2 LYS A 30 -0.211 20.231 -6.046 1.00 0.89 H new ATOM 0 HD3 LYS A 30 0.818 18.820 -6.198 1.00 0.89 H new ATOM 0 HE2 LYS A 30 -1.115 17.337 -5.778 1.00 0.96 H new ATOM 0 HE3 LYS A 30 -2.155 18.729 -5.551 1.00 0.96 H new ATOM 0 HZ1 LYS A 30 -1.972 17.540 -7.854 1.00 1.31 H new ATOM 0 HZ2 LYS A 30 -2.147 19.227 -7.762 1.00 1.31 H new ATOM 0 HZ3 LYS A 30 -0.617 18.546 -8.046 1.00 1.31 H new ATOM 696 N THR A 31 2.939 22.225 -2.157 1.00 0.60 N ATOM 697 CA THR A 31 4.144 23.014 -1.964 1.00 0.61 C ATOM 698 C THR A 31 4.834 22.698 -0.634 1.00 0.52 C ATOM 699 O THR A 31 6.063 22.674 -0.551 1.00 0.54 O ATOM 700 CB THR A 31 3.805 24.516 -1.999 1.00 0.68 C ATOM 701 OG1 THR A 31 3.179 24.855 -3.246 1.00 0.80 O ATOM 702 CG2 THR A 31 5.051 25.363 -1.812 1.00 0.76 C ATOM 0 H THR A 31 2.104 22.784 -2.333 1.00 0.60 H new ATOM 0 HA THR A 31 4.825 22.757 -2.775 1.00 0.61 H new ATOM 0 HB THR A 31 3.118 24.722 -1.178 1.00 0.68 H new ATOM 0 HG1 THR A 31 2.311 24.404 -3.310 1.00 0.80 H new ATOM 0 HG21 THR A 31 4.781 26.419 -1.841 1.00 0.76 H new ATOM 0 HG22 THR A 31 5.507 25.132 -0.849 1.00 0.76 H new ATOM 0 HG23 THR A 31 5.761 25.148 -2.611 1.00 0.76 H new ATOM 710 N VAL A 32 4.041 22.441 0.398 1.00 0.50 N ATOM 711 CA VAL A 32 4.575 22.302 1.742 1.00 0.50 C ATOM 712 C VAL A 32 4.998 20.860 2.045 1.00 0.47 C ATOM 713 O VAL A 32 5.820 20.631 2.932 1.00 0.48 O ATOM 714 CB VAL A 32 3.567 22.808 2.798 1.00 0.57 C ATOM 715 CG1 VAL A 32 2.369 21.890 2.917 1.00 0.60 C ATOM 716 CG2 VAL A 32 4.243 22.985 4.138 1.00 0.85 C ATOM 0 H VAL A 32 3.030 22.325 0.329 1.00 0.50 H new ATOM 0 HA VAL A 32 5.469 22.924 1.795 1.00 0.50 H new ATOM 0 HB VAL A 32 3.201 23.778 2.463 1.00 0.57 H new ATOM 0 HG11 VAL A 32 1.684 22.281 3.670 1.00 0.60 H new ATOM 0 HG12 VAL A 32 1.858 21.833 1.956 1.00 0.60 H new ATOM 0 HG13 VAL A 32 2.701 20.894 3.211 1.00 0.60 H new ATOM 0 HG21 VAL A 32 3.516 23.342 4.868 1.00 0.85 H new ATOM 0 HG22 VAL A 32 4.651 22.030 4.469 1.00 0.85 H new ATOM 0 HG23 VAL A 32 5.050 23.711 4.045 1.00 0.85 H new ATOM 720 N LEU A 33 4.456 19.893 1.305 1.00 0.48 N ATOM 721 CA LEU A 33 4.873 18.496 1.451 1.00 0.49 C ATOM 722 C LEU A 33 6.389 18.356 1.324 1.00 0.50 C ATOM 723 O LEU A 33 7.033 17.720 2.158 1.00 0.54 O ATOM 724 CB LEU A 33 4.202 17.603 0.399 1.00 0.53 C ATOM 725 CG LEU A 33 2.818 17.036 0.752 1.00 0.58 C ATOM 726 CD1 LEU A 33 2.873 16.219 2.034 1.00 0.98 C ATOM 727 CD2 LEU A 33 1.780 18.133 0.870 1.00 0.74 C ATOM 0 H LEU A 33 3.732 20.048 0.603 1.00 0.48 H new ATOM 0 HA LEU A 33 4.563 18.175 2.446 1.00 0.49 H new ATOM 0 HB2 LEU A 33 4.109 18.176 -0.524 1.00 0.53 H new ATOM 0 HB3 LEU A 33 4.868 16.766 0.189 1.00 0.53 H new ATOM 0 HG LEU A 33 2.521 16.379 -0.065 1.00 0.58 H new ATOM 0 HD11 LEU A 33 1.880 15.830 2.260 1.00 0.98 H new ATOM 0 HD12 LEU A 33 3.568 15.389 1.907 1.00 0.98 H new ATOM 0 HD13 LEU A 33 3.210 16.852 2.855 1.00 0.98 H new ATOM 0 HD21 LEU A 33 0.814 17.694 1.120 1.00 0.74 H new ATOM 0 HD22 LEU A 33 2.076 18.831 1.653 1.00 0.74 H new ATOM 0 HD23 LEU A 33 1.702 18.664 -0.079 1.00 0.74 H new ATOM 739 N LYS A 34 6.954 18.972 0.289 1.00 0.51 N ATOM 740 CA LYS A 34 8.380 18.834 -0.001 1.00 0.56 C ATOM 741 C LYS A 34 9.232 19.426 1.122 1.00 0.53 C ATOM 742 O LYS A 34 10.358 18.989 1.356 1.00 0.59 O ATOM 743 CB LYS A 34 8.723 19.498 -1.339 1.00 0.65 C ATOM 744 CG LYS A 34 8.740 21.018 -1.295 1.00 0.93 C ATOM 745 CD LYS A 34 8.751 21.614 -2.691 1.00 0.89 C ATOM 746 CE LYS A 34 9.095 23.096 -2.668 1.00 1.70 C ATOM 747 NZ LYS A 34 8.360 23.837 -1.608 1.00 2.41 N ATOM 0 H LYS A 34 6.448 19.571 -0.363 1.00 0.51 H new ATOM 0 HA LYS A 34 8.606 17.770 -0.071 1.00 0.56 H new ATOM 0 HB2 LYS A 34 9.700 19.144 -1.667 1.00 0.65 H new ATOM 0 HB3 LYS A 34 7.999 19.176 -2.088 1.00 0.65 H new ATOM 0 HG2 LYS A 34 7.866 21.377 -0.752 1.00 0.93 H new ATOM 0 HG3 LYS A 34 9.618 21.358 -0.746 1.00 0.93 H new ATOM 0 HD2 LYS A 34 9.475 21.082 -3.308 1.00 0.89 H new ATOM 0 HD3 LYS A 34 7.774 21.474 -3.154 1.00 0.89 H new ATOM 0 HE2 LYS A 34 10.167 23.214 -2.512 1.00 1.70 H new ATOM 0 HE3 LYS A 34 8.864 23.534 -3.639 1.00 1.70 H new ATOM 0 HZ1 LYS A 34 8.251 24.832 -1.892 1.00 2.41 H new ATOM 0 HZ2 LYS A 34 7.421 23.410 -1.474 1.00 2.41 H new ATOM 0 HZ3 LYS A 34 8.893 23.788 -0.717 1.00 2.41 H new ATOM 761 N GLU A 35 8.680 20.408 1.822 1.00 0.47 N ATOM 762 CA GLU A 35 9.370 21.040 2.937 1.00 0.47 C ATOM 763 C GLU A 35 9.499 20.059 4.095 1.00 0.46 C ATOM 764 O GLU A 35 10.514 20.026 4.788 1.00 0.57 O ATOM 765 CB GLU A 35 8.609 22.286 3.392 1.00 0.47 C ATOM 766 CG GLU A 35 8.391 23.316 2.295 1.00 0.61 C ATOM 767 CD GLU A 35 9.687 23.831 1.707 1.00 1.26 C ATOM 768 OE1 GLU A 35 10.445 24.510 2.428 1.00 1.47 O ATOM 769 OE2 GLU A 35 9.963 23.547 0.523 1.00 1.96 O ATOM 0 H GLU A 35 7.751 20.785 1.635 1.00 0.47 H new ATOM 0 HA GLU A 35 10.366 21.336 2.609 1.00 0.47 H new ATOM 0 HB2 GLU A 35 7.640 21.982 3.788 1.00 0.47 H new ATOM 0 HB3 GLU A 35 9.156 22.754 4.211 1.00 0.47 H new ATOM 0 HG2 GLU A 35 7.788 22.873 1.502 1.00 0.61 H new ATOM 0 HG3 GLU A 35 7.822 24.154 2.698 1.00 0.61 H new ATOM 776 N VAL A 36 8.467 19.255 4.283 1.00 0.41 N ATOM 777 CA VAL A 36 8.456 18.244 5.326 1.00 0.42 C ATOM 778 C VAL A 36 9.394 17.091 4.952 1.00 0.50 C ATOM 779 O VAL A 36 10.239 16.674 5.747 1.00 0.62 O ATOM 780 CB VAL A 36 7.017 17.724 5.550 1.00 0.43 C ATOM 781 CG1 VAL A 36 6.977 16.632 6.602 1.00 0.98 C ATOM 782 CG2 VAL A 36 6.094 18.874 5.938 1.00 0.74 C ATOM 0 H VAL A 36 7.617 19.284 3.720 1.00 0.41 H new ATOM 0 HA VAL A 36 8.810 18.690 6.255 1.00 0.42 H new ATOM 0 HB VAL A 36 6.668 17.291 4.612 1.00 0.43 H new ATOM 0 HG11 VAL A 36 5.950 16.291 6.733 1.00 0.98 H new ATOM 0 HG12 VAL A 36 7.599 15.796 6.283 1.00 0.98 H new ATOM 0 HG13 VAL A 36 7.353 17.024 7.547 1.00 0.98 H new ATOM 0 HG21 VAL A 36 5.084 18.494 6.093 1.00 0.74 H new ATOM 0 HG22 VAL A 36 6.453 19.334 6.858 1.00 0.74 H new ATOM 0 HG23 VAL A 36 6.084 19.617 5.141 1.00 0.74 H new ATOM 786 N PHE A 37 9.242 16.608 3.727 1.00 0.49 N ATOM 787 CA PHE A 37 10.085 15.559 3.161 1.00 0.54 C ATOM 788 C PHE A 37 11.575 15.883 3.151 1.00 0.59 C ATOM 789 O PHE A 37 12.378 15.086 3.639 1.00 0.66 O ATOM 790 CB PHE A 37 9.609 15.272 1.744 1.00 0.57 C ATOM 791 CG PHE A 37 8.428 14.346 1.758 1.00 0.57 C ATOM 792 CD1 PHE A 37 8.581 12.997 2.020 1.00 0.66 C ATOM 793 CD2 PHE A 37 7.164 14.828 1.460 1.00 0.74 C ATOM 794 CE1 PHE A 37 7.496 12.146 1.986 1.00 0.68 C ATOM 795 CE2 PHE A 37 6.074 13.982 1.431 1.00 0.83 C ATOM 796 CZ PHE A 37 6.249 12.629 1.878 1.00 0.71 C ATOM 0 H PHE A 37 8.519 16.937 3.087 1.00 0.49 H new ATOM 0 HA PHE A 37 9.983 14.687 3.807 1.00 0.54 H new ATOM 0 HB2 PHE A 37 9.340 16.205 1.250 1.00 0.57 H new ATOM 0 HB3 PHE A 37 10.419 14.827 1.166 1.00 0.57 H new ATOM 0 HD1 PHE A 37 9.560 12.606 2.254 1.00 0.66 H new ATOM 0 HD2 PHE A 37 7.030 15.878 1.248 1.00 0.74 H new ATOM 0 HE1 PHE A 37 7.652 11.079 2.047 1.00 0.68 H new ATOM 0 HE2 PHE A 37 5.113 14.329 1.081 1.00 0.83 H new ATOM 0 HZ PHE A 37 5.396 12.014 2.122 1.00 0.71 H new ATOM 806 N LYS A 38 11.959 17.029 2.603 1.00 0.60 N ATOM 807 CA LYS A 38 13.378 17.309 2.399 1.00 0.69 C ATOM 808 C LYS A 38 14.076 17.654 3.711 1.00 0.78 C ATOM 809 O LYS A 38 15.298 17.543 3.818 1.00 1.02 O ATOM 810 CB LYS A 38 13.584 18.411 1.357 1.00 0.75 C ATOM 811 CG LYS A 38 13.145 18.008 -0.031 1.00 0.76 C ATOM 812 CD LYS A 38 13.489 19.074 -1.052 1.00 0.91 C ATOM 813 CE LYS A 38 13.072 18.629 -2.432 1.00 1.37 C ATOM 814 NZ LYS A 38 13.429 19.612 -3.490 1.00 2.18 N ATOM 0 H LYS A 38 11.325 17.767 2.297 1.00 0.60 H new ATOM 0 HA LYS A 38 13.836 16.398 2.014 1.00 0.69 H new ATOM 0 HB2 LYS A 38 13.030 19.299 1.663 1.00 0.75 H new ATOM 0 HB3 LYS A 38 14.639 18.686 1.332 1.00 0.75 H new ATOM 0 HG2 LYS A 38 13.625 17.069 -0.308 1.00 0.76 H new ATOM 0 HG3 LYS A 38 12.070 17.830 -0.037 1.00 0.76 H new ATOM 0 HD2 LYS A 38 12.988 20.008 -0.796 1.00 0.91 H new ATOM 0 HD3 LYS A 38 14.561 19.272 -1.034 1.00 0.91 H new ATOM 0 HE2 LYS A 38 13.544 17.673 -2.658 1.00 1.37 H new ATOM 0 HE3 LYS A 38 11.995 18.464 -2.445 1.00 1.37 H new ATOM 0 HZ1 LYS A 38 12.789 19.496 -4.302 1.00 2.18 H new ATOM 0 HZ2 LYS A 38 13.338 20.577 -3.112 1.00 2.18 H new ATOM 0 HZ3 LYS A 38 14.410 19.451 -3.796 1.00 2.18 H new ATOM 828 N ALA A 39 13.300 18.057 4.704 1.00 0.71 N ATOM 829 CA ALA A 39 13.822 18.261 6.046 1.00 0.87 C ATOM 830 C ALA A 39 14.025 16.920 6.743 1.00 0.82 C ATOM 831 O ALA A 39 15.162 16.451 6.852 1.00 1.56 O ATOM 832 CB ALA A 39 12.897 19.158 6.857 1.00 1.06 C ATOM 0 H ALA A 39 12.303 18.250 4.606 1.00 0.71 H new ATOM 0 HA ALA A 39 14.788 18.760 5.968 1.00 0.87 H new ATOM 0 HB1 ALA A 39 13.308 19.296 7.857 1.00 1.06 H new ATOM 0 HB2 ALA A 39 12.806 20.127 6.365 1.00 1.06 H new ATOM 0 HB3 ALA A 39 11.913 18.695 6.930 1.00 1.06 H new ATOM 838 N GLY A 40 12.935 16.289 7.178 1.00 0.78 N ATOM 839 CA GLY A 40 13.037 15.040 7.923 1.00 1.03 C ATOM 840 C GLY A 40 14.045 15.109 9.065 1.00 1.29 C ATOM 841 O GLY A 40 14.341 16.197 9.569 1.00 1.54 O ATOM 0 H GLY A 40 11.982 16.620 7.028 1.00 0.78 H new ATOM 0 HA2 GLY A 40 12.057 14.782 8.325 1.00 1.03 H new ATOM 0 HA3 GLY A 40 13.323 14.239 7.241 1.00 1.03 H new ATOM 845 N PRO A 41 14.577 13.965 9.520 1.00 1.37 N ATOM 846 CA PRO A 41 14.143 12.640 9.110 1.00 1.22 C ATOM 847 C PRO A 41 13.135 12.040 10.088 1.00 1.09 C ATOM 848 O PRO A 41 13.108 12.379 11.274 1.00 1.18 O ATOM 849 CB PRO A 41 15.448 11.843 9.102 1.00 1.37 C ATOM 850 CG PRO A 41 16.394 12.594 10.001 1.00 1.60 C ATOM 851 CD PRO A 41 15.698 13.858 10.452 1.00 1.68 C ATOM 0 HA PRO A 41 13.628 12.642 8.149 1.00 1.22 H new ATOM 0 HB2 PRO A 41 15.288 10.827 9.464 1.00 1.37 H new ATOM 0 HB3 PRO A 41 15.850 11.762 8.092 1.00 1.37 H new ATOM 0 HG2 PRO A 41 16.671 11.983 10.860 1.00 1.60 H new ATOM 0 HG3 PRO A 41 17.316 12.834 9.471 1.00 1.60 H new ATOM 0 HD2 PRO A 41 15.359 13.785 11.485 1.00 1.68 H new ATOM 0 HD3 PRO A 41 16.356 14.725 10.393 1.00 1.68 H new ATOM 859 N TYR A 42 12.302 11.151 9.573 1.00 0.99 N ATOM 860 CA TYR A 42 11.174 10.630 10.326 1.00 0.92 C ATOM 861 C TYR A 42 11.241 9.118 10.436 1.00 0.97 C ATOM 862 O TYR A 42 11.258 8.406 9.434 1.00 1.08 O ATOM 863 CB TYR A 42 9.872 11.061 9.649 1.00 0.85 C ATOM 864 CG TYR A 42 9.812 12.548 9.384 1.00 0.87 C ATOM 865 CD1 TYR A 42 9.955 13.462 10.420 1.00 0.90 C ATOM 866 CD2 TYR A 42 9.628 13.039 8.099 1.00 0.99 C ATOM 867 CE1 TYR A 42 9.917 14.821 10.185 1.00 1.02 C ATOM 868 CE2 TYR A 42 9.587 14.396 7.856 1.00 1.10 C ATOM 869 CZ TYR A 42 9.733 15.283 8.903 1.00 1.12 C ATOM 870 OH TYR A 42 9.708 16.636 8.663 1.00 1.28 O ATOM 0 H TYR A 42 12.387 10.773 8.629 1.00 0.99 H new ATOM 0 HA TYR A 42 11.209 11.035 11.337 1.00 0.92 H new ATOM 0 HB2 TYR A 42 9.763 10.524 8.707 1.00 0.85 H new ATOM 0 HB3 TYR A 42 9.029 10.775 10.278 1.00 0.85 H new ATOM 0 HD1 TYR A 42 10.099 13.102 11.428 1.00 0.90 H new ATOM 0 HD2 TYR A 42 9.515 12.348 7.277 1.00 0.99 H new ATOM 0 HE1 TYR A 42 10.031 15.517 11.003 1.00 1.02 H new ATOM 0 HE2 TYR A 42 9.441 14.763 6.851 1.00 1.10 H new ATOM 0 HH TYR A 42 9.859 16.802 7.709 1.00 1.28 H new ATOM 880 N LYS A 43 11.288 8.646 11.670 1.00 0.96 N ATOM 881 CA LYS A 43 11.265 7.219 11.965 1.00 1.01 C ATOM 882 C LYS A 43 9.867 6.649 11.745 1.00 0.98 C ATOM 883 O LYS A 43 9.664 5.437 11.791 1.00 1.06 O ATOM 884 CB LYS A 43 11.680 6.993 13.417 1.00 1.10 C ATOM 885 CG LYS A 43 13.019 7.613 13.781 1.00 1.72 C ATOM 886 CD LYS A 43 13.261 7.554 15.279 1.00 2.26 C ATOM 887 CE LYS A 43 14.570 8.219 15.665 1.00 2.94 C ATOM 888 NZ LYS A 43 14.766 8.239 17.139 1.00 3.51 N ATOM 0 H LYS A 43 11.343 9.240 12.498 1.00 0.96 H new ATOM 0 HA LYS A 43 11.961 6.713 11.296 1.00 1.01 H new ATOM 0 HB2 LYS A 43 10.911 7.403 14.072 1.00 1.10 H new ATOM 0 HB3 LYS A 43 11.723 5.921 13.609 1.00 1.10 H new ATOM 0 HG2 LYS A 43 13.820 7.089 13.259 1.00 1.72 H new ATOM 0 HG3 LYS A 43 13.046 8.650 13.446 1.00 1.72 H new ATOM 0 HD2 LYS A 43 12.438 8.043 15.800 1.00 2.26 H new ATOM 0 HD3 LYS A 43 13.272 6.514 15.605 1.00 2.26 H new ATOM 0 HE2 LYS A 43 15.399 7.690 15.195 1.00 2.94 H new ATOM 0 HE3 LYS A 43 14.586 9.240 15.282 1.00 2.94 H new ATOM 0 HZ1 LYS A 43 15.671 8.701 17.363 1.00 3.51 H new ATOM 0 HZ2 LYS A 43 13.988 8.766 17.585 1.00 3.51 H new ATOM 0 HZ3 LYS A 43 14.776 7.264 17.501 1.00 3.51 H new ATOM 902 N ASN A 44 8.907 7.531 11.503 1.00 0.88 N ATOM 903 CA ASN A 44 7.513 7.148 11.356 1.00 0.85 C ATOM 904 C ASN A 44 6.769 8.255 10.620 1.00 0.80 C ATOM 905 O ASN A 44 7.259 9.381 10.529 1.00 0.85 O ATOM 906 CB ASN A 44 6.893 6.929 12.736 1.00 0.89 C ATOM 907 CG ASN A 44 7.001 8.169 13.600 1.00 0.95 C ATOM 908 OD1 ASN A 44 6.104 9.007 13.614 1.00 1.52 O ATOM 909 ND2 ASN A 44 8.114 8.305 14.309 1.00 1.10 N ATOM 0 H ASN A 44 9.075 8.532 11.403 1.00 0.88 H new ATOM 0 HA ASN A 44 7.442 6.221 10.786 1.00 0.85 H new ATOM 0 HB2 ASN A 44 5.844 6.653 12.625 1.00 0.89 H new ATOM 0 HB3 ASN A 44 7.391 6.096 13.231 1.00 0.89 H new ATOM 0 HD21 ASN A 44 8.248 9.130 14.894 1.00 1.10 H new ATOM 0 HD22 ASN A 44 8.835 7.585 14.269 1.00 1.10 H new ATOM 916 N THR A 45 5.586 7.943 10.111 1.00 0.77 N ATOM 917 CA THR A 45 4.816 8.901 9.330 1.00 0.76 C ATOM 918 C THR A 45 4.118 9.925 10.228 1.00 0.74 C ATOM 919 O THR A 45 3.803 11.028 9.786 1.00 0.92 O ATOM 920 CB THR A 45 3.775 8.189 8.445 1.00 0.84 C ATOM 921 OG1 THR A 45 4.404 7.123 7.720 1.00 1.05 O ATOM 922 CG2 THR A 45 3.135 9.161 7.462 1.00 1.18 C ATOM 0 H THR A 45 5.138 7.034 10.225 1.00 0.77 H new ATOM 0 HA THR A 45 5.521 9.429 8.688 1.00 0.76 H new ATOM 0 HB THR A 45 2.995 7.788 9.092 1.00 0.84 H new ATOM 0 HG1 THR A 45 3.852 6.883 6.947 1.00 1.05 H new ATOM 0 HG21 THR A 45 2.405 8.632 6.850 1.00 1.18 H new ATOM 0 HG22 THR A 45 2.637 9.960 8.012 1.00 1.18 H new ATOM 0 HG23 THR A 45 3.905 9.588 6.819 1.00 1.18 H new ATOM 930 N GLU A 46 3.901 9.569 11.491 1.00 0.72 N ATOM 931 CA GLU A 46 3.278 10.482 12.446 1.00 0.71 C ATOM 932 C GLU A 46 4.129 11.740 12.614 1.00 0.66 C ATOM 933 O GLU A 46 3.603 12.840 12.769 1.00 0.65 O ATOM 934 CB GLU A 46 3.073 9.789 13.795 1.00 0.79 C ATOM 935 CG GLU A 46 2.366 10.654 14.823 1.00 1.41 C ATOM 936 CD GLU A 46 2.164 9.940 16.141 1.00 1.82 C ATOM 937 OE1 GLU A 46 3.053 10.030 17.013 1.00 2.24 O ATOM 938 OE2 GLU A 46 1.111 9.285 16.313 1.00 2.12 O ATOM 0 H GLU A 46 4.146 8.657 11.877 1.00 0.72 H new ATOM 0 HA GLU A 46 2.302 10.774 12.058 1.00 0.71 H new ATOM 0 HB2 GLU A 46 2.496 8.877 13.641 1.00 0.79 H new ATOM 0 HB3 GLU A 46 4.043 9.489 14.191 1.00 0.79 H new ATOM 0 HG2 GLU A 46 2.946 11.561 14.990 1.00 1.41 H new ATOM 0 HG3 GLU A 46 1.398 10.963 14.429 1.00 1.41 H new ATOM 945 N GLU A 47 5.445 11.569 12.568 1.00 0.67 N ATOM 946 CA GLU A 47 6.374 12.695 12.580 1.00 0.67 C ATOM 947 C GLU A 47 6.095 13.639 11.416 1.00 0.60 C ATOM 948 O GLU A 47 6.137 14.861 11.563 1.00 0.58 O ATOM 949 CB GLU A 47 7.805 12.185 12.478 1.00 0.73 C ATOM 950 CG GLU A 47 8.279 11.415 13.688 1.00 0.98 C ATOM 951 CD GLU A 47 8.849 12.308 14.763 1.00 1.64 C ATOM 952 OE1 GLU A 47 9.919 12.910 14.541 1.00 2.03 O ATOM 953 OE2 GLU A 47 8.225 12.418 15.833 1.00 2.26 O ATOM 0 H GLU A 47 5.896 10.655 12.522 1.00 0.67 H new ATOM 0 HA GLU A 47 6.240 13.238 13.515 1.00 0.67 H new ATOM 0 HB2 GLU A 47 7.888 11.545 11.599 1.00 0.73 H new ATOM 0 HB3 GLU A 47 8.470 13.034 12.319 1.00 0.73 H new ATOM 0 HG2 GLU A 47 7.446 10.845 14.099 1.00 0.98 H new ATOM 0 HG3 GLU A 47 9.037 10.695 13.381 1.00 0.98 H new ATOM 960 N SER A 48 5.808 13.058 10.258 1.00 0.58 N ATOM 961 CA SER A 48 5.500 13.834 9.070 1.00 0.54 C ATOM 962 C SER A 48 4.133 14.493 9.222 1.00 0.51 C ATOM 963 O SER A 48 3.928 15.619 8.776 1.00 0.49 O ATOM 964 CB SER A 48 5.529 12.939 7.827 1.00 0.57 C ATOM 965 OG SER A 48 5.365 13.694 6.638 1.00 1.19 O ATOM 0 H SER A 48 5.783 12.048 10.119 1.00 0.58 H new ATOM 0 HA SER A 48 6.254 14.612 8.949 1.00 0.54 H new ATOM 0 HB2 SER A 48 6.475 12.399 7.788 1.00 0.57 H new ATOM 0 HB3 SER A 48 4.738 12.192 7.897 1.00 0.57 H new ATOM 0 HG SER A 48 5.390 13.094 5.864 1.00 1.19 H new ATOM 971 N ILE A 49 3.209 13.786 9.865 1.00 0.51 N ATOM 972 CA ILE A 49 1.882 14.322 10.139 1.00 0.49 C ATOM 973 C ILE A 49 1.994 15.522 11.069 1.00 0.49 C ATOM 974 O ILE A 49 1.375 16.559 10.849 1.00 0.47 O ATOM 975 CB ILE A 49 0.965 13.254 10.779 1.00 0.51 C ATOM 976 CG1 ILE A 49 0.764 12.084 9.809 1.00 0.52 C ATOM 977 CG2 ILE A 49 -0.375 13.860 11.175 1.00 0.50 C ATOM 978 CD1 ILE A 49 -0.124 10.984 10.349 1.00 0.55 C ATOM 0 H ILE A 49 3.357 12.836 10.207 1.00 0.51 H new ATOM 0 HA ILE A 49 1.439 14.628 9.191 1.00 0.49 H new ATOM 0 HB ILE A 49 1.445 12.880 11.683 1.00 0.51 H new ATOM 0 HG12 ILE A 49 0.333 12.463 8.882 1.00 0.52 H new ATOM 0 HG13 ILE A 49 1.737 11.662 9.558 1.00 0.52 H new ATOM 0 HG21 ILE A 49 -1.004 13.091 11.623 1.00 0.50 H new ATOM 0 HG22 ILE A 49 -0.213 14.662 11.896 1.00 0.50 H new ATOM 0 HG23 ILE A 49 -0.868 14.262 10.290 1.00 0.50 H new ATOM 0 HD11 ILE A 49 -0.217 10.193 9.605 1.00 0.55 H new ATOM 0 HD12 ILE A 49 0.315 10.576 11.259 1.00 0.55 H new ATOM 0 HD13 ILE A 49 -1.111 11.390 10.573 1.00 0.55 H new ATOM 985 N ALA A 50 2.811 15.359 12.097 1.00 0.52 N ATOM 986 CA ALA A 50 3.113 16.421 13.043 1.00 0.53 C ATOM 987 C ALA A 50 3.717 17.629 12.339 1.00 0.50 C ATOM 988 O ALA A 50 3.285 18.763 12.557 1.00 0.50 O ATOM 989 CB ALA A 50 4.077 15.896 14.087 1.00 0.57 C ATOM 0 H ALA A 50 3.287 14.480 12.300 1.00 0.52 H new ATOM 0 HA ALA A 50 2.186 16.740 13.519 1.00 0.53 H new ATOM 0 HB1 ALA A 50 4.308 16.688 14.800 1.00 0.57 H new ATOM 0 HB2 ALA A 50 3.623 15.056 14.612 1.00 0.57 H new ATOM 0 HB3 ALA A 50 4.995 15.566 13.601 1.00 0.57 H new ATOM 995 N ALA A 51 4.715 17.381 11.498 1.00 0.49 N ATOM 996 CA ALA A 51 5.365 18.442 10.739 1.00 0.48 C ATOM 997 C ALA A 51 4.352 19.155 9.856 1.00 0.45 C ATOM 998 O ALA A 51 4.361 20.380 9.732 1.00 0.47 O ATOM 999 CB ALA A 51 6.493 17.870 9.897 1.00 0.50 C ATOM 0 H ALA A 51 5.093 16.450 11.325 1.00 0.49 H new ATOM 0 HA ALA A 51 5.785 19.165 11.438 1.00 0.48 H new ATOM 0 HB1 ALA A 51 6.970 18.673 9.335 1.00 0.50 H new ATOM 0 HB2 ALA A 51 7.228 17.395 10.547 1.00 0.50 H new ATOM 0 HB3 ALA A 51 6.091 17.131 9.204 1.00 0.50 H new ATOM 1005 N LEU A 52 3.468 18.369 9.260 1.00 0.42 N ATOM 1006 CA LEU A 52 2.415 18.902 8.413 1.00 0.40 C ATOM 1007 C LEU A 52 1.411 19.699 9.227 1.00 0.39 C ATOM 1008 O LEU A 52 0.946 20.730 8.772 1.00 0.40 O ATOM 1009 CB LEU A 52 1.714 17.781 7.642 1.00 0.40 C ATOM 1010 CG LEU A 52 2.483 17.236 6.440 1.00 0.41 C ATOM 1011 CD1 LEU A 52 1.899 15.906 5.993 1.00 0.45 C ATOM 1012 CD2 LEU A 52 2.443 18.234 5.297 1.00 0.41 C ATOM 0 H LEU A 52 3.461 17.353 9.349 1.00 0.42 H new ATOM 0 HA LEU A 52 2.877 19.576 7.691 1.00 0.40 H new ATOM 0 HB2 LEU A 52 1.516 16.958 8.329 1.00 0.40 H new ATOM 0 HB3 LEU A 52 0.747 18.149 7.298 1.00 0.40 H new ATOM 0 HG LEU A 52 3.520 17.078 6.735 1.00 0.41 H new ATOM 0 HD11 LEU A 52 2.459 15.532 5.136 1.00 0.45 H new ATOM 0 HD12 LEU A 52 1.964 15.187 6.810 1.00 0.45 H new ATOM 0 HD13 LEU A 52 0.855 16.043 5.712 1.00 0.45 H new ATOM 0 HD21 LEU A 52 2.994 17.835 4.446 1.00 0.41 H new ATOM 0 HD22 LEU A 52 1.408 18.414 5.007 1.00 0.41 H new ATOM 0 HD23 LEU A 52 2.898 19.172 5.616 1.00 0.41 H new ATOM 1024 N LYS A 53 1.090 19.248 10.432 1.00 0.39 N ATOM 1025 CA LYS A 53 0.178 19.996 11.294 1.00 0.39 C ATOM 1026 C LYS A 53 0.767 21.350 11.667 1.00 0.40 C ATOM 1027 O LYS A 53 0.041 22.320 11.889 1.00 0.45 O ATOM 1028 CB LYS A 53 -0.142 19.216 12.566 1.00 0.41 C ATOM 1029 CG LYS A 53 -1.062 18.033 12.348 1.00 0.42 C ATOM 1030 CD LYS A 53 -1.369 17.341 13.660 1.00 0.52 C ATOM 1031 CE LYS A 53 -2.323 16.181 13.470 1.00 0.52 C ATOM 1032 NZ LYS A 53 -2.605 15.488 14.753 1.00 1.22 N ATOM 0 H LYS A 53 1.441 18.379 10.834 1.00 0.39 H new ATOM 0 HA LYS A 53 -0.743 20.150 10.732 1.00 0.39 H new ATOM 0 HB2 LYS A 53 0.790 18.862 13.007 1.00 0.41 H new ATOM 0 HB3 LYS A 53 -0.600 19.891 13.288 1.00 0.41 H new ATOM 0 HG2 LYS A 53 -1.989 18.368 11.883 1.00 0.42 H new ATOM 0 HG3 LYS A 53 -0.597 17.327 11.660 1.00 0.42 H new ATOM 0 HD2 LYS A 53 -0.442 16.981 14.107 1.00 0.52 H new ATOM 0 HD3 LYS A 53 -1.802 18.058 14.357 1.00 0.52 H new ATOM 0 HE2 LYS A 53 -3.256 16.544 13.039 1.00 0.52 H new ATOM 0 HE3 LYS A 53 -1.898 15.472 12.759 1.00 0.52 H new ATOM 0 HZ1 LYS A 53 -2.803 14.484 14.569 1.00 1.22 H new ATOM 0 HZ2 LYS A 53 -1.779 15.569 15.380 1.00 1.22 H new ATOM 0 HZ3 LYS A 53 -3.431 15.925 15.209 1.00 1.22 H new ATOM 1046 N LYS A 54 2.089 21.404 11.757 1.00 0.39 N ATOM 1047 CA LYS A 54 2.783 22.639 12.089 1.00 0.41 C ATOM 1048 C LYS A 54 2.801 23.593 10.896 1.00 0.41 C ATOM 1049 O LYS A 54 2.505 24.783 11.031 1.00 0.47 O ATOM 1050 CB LYS A 54 4.216 22.333 12.535 1.00 0.44 C ATOM 1051 CG LYS A 54 4.983 23.550 13.036 1.00 1.24 C ATOM 1052 CD LYS A 54 4.360 24.136 14.298 1.00 1.63 C ATOM 1053 CE LYS A 54 4.331 23.124 15.435 1.00 2.24 C ATOM 1054 NZ LYS A 54 3.791 23.710 16.688 1.00 3.05 N ATOM 0 H LYS A 54 2.703 20.604 11.604 1.00 0.39 H new ATOM 0 HA LYS A 54 2.247 23.122 12.906 1.00 0.41 H new ATOM 0 HB2 LYS A 54 4.187 21.584 13.326 1.00 0.44 H new ATOM 0 HB3 LYS A 54 4.759 21.893 11.699 1.00 0.44 H new ATOM 0 HG2 LYS A 54 6.017 23.269 13.238 1.00 1.24 H new ATOM 0 HG3 LYS A 54 5.006 24.311 12.256 1.00 1.24 H new ATOM 0 HD2 LYS A 54 4.925 25.015 14.608 1.00 1.63 H new ATOM 0 HD3 LYS A 54 3.345 24.469 14.082 1.00 1.63 H new ATOM 0 HE2 LYS A 54 3.722 22.268 15.143 1.00 2.24 H new ATOM 0 HE3 LYS A 54 5.339 22.751 15.614 1.00 2.24 H new ATOM 0 HZ1 LYS A 54 3.789 22.988 17.436 1.00 3.05 H new ATOM 0 HZ2 LYS A 54 4.386 24.511 16.981 1.00 3.05 H new ATOM 0 HZ3 LYS A 54 2.819 24.043 16.525 1.00 3.05 H new ATOM 1068 N LYS A 55 3.143 23.065 9.731 1.00 0.42 N ATOM 1069 CA LYS A 55 3.301 23.881 8.533 1.00 0.48 C ATOM 1070 C LYS A 55 1.965 24.157 7.840 1.00 0.47 C ATOM 1071 O LYS A 55 1.745 25.253 7.326 1.00 0.58 O ATOM 1072 CB LYS A 55 4.276 23.219 7.575 1.00 0.55 C ATOM 1073 CG LYS A 55 5.648 23.026 8.189 1.00 1.23 C ATOM 1074 CD LYS A 55 6.714 22.855 7.131 1.00 1.16 C ATOM 1075 CE LYS A 55 6.923 24.129 6.320 1.00 1.03 C ATOM 1076 NZ LYS A 55 7.295 25.289 7.173 1.00 1.48 N ATOM 0 H LYS A 55 3.318 22.070 9.588 1.00 0.42 H new ATOM 0 HA LYS A 55 3.703 24.846 8.843 1.00 0.48 H new ATOM 0 HB2 LYS A 55 3.879 22.251 7.268 1.00 0.55 H new ATOM 0 HB3 LYS A 55 4.366 23.827 6.675 1.00 0.55 H new ATOM 0 HG2 LYS A 55 5.891 23.885 8.815 1.00 1.23 H new ATOM 0 HG3 LYS A 55 5.636 22.151 8.839 1.00 1.23 H new ATOM 0 HD2 LYS A 55 7.653 22.569 7.605 1.00 1.16 H new ATOM 0 HD3 LYS A 55 6.434 22.041 6.462 1.00 1.16 H new ATOM 0 HE2 LYS A 55 7.705 23.961 5.579 1.00 1.03 H new ATOM 0 HE3 LYS A 55 6.010 24.362 5.773 1.00 1.03 H new ATOM 0 HZ1 LYS A 55 8.084 25.805 6.733 1.00 1.48 H new ATOM 0 HZ2 LYS A 55 6.477 25.924 7.271 1.00 1.48 H new ATOM 0 HZ3 LYS A 55 7.584 24.950 8.113 1.00 1.48 H new ATOM 1090 N SER A 56 1.079 23.180 7.831 1.00 0.39 N ATOM 1091 CA SER A 56 -0.248 23.360 7.264 1.00 0.39 C ATOM 1092 C SER A 56 -1.264 22.565 8.083 1.00 0.38 C ATOM 1093 O SER A 56 -1.545 21.404 7.782 1.00 0.38 O ATOM 1094 CB SER A 56 -0.270 22.923 5.794 1.00 0.40 C ATOM 1095 OG SER A 56 -1.525 23.202 5.191 1.00 1.16 O ATOM 0 H SER A 56 1.253 22.249 8.211 1.00 0.39 H new ATOM 0 HA SER A 56 -0.513 24.417 7.301 1.00 0.39 H new ATOM 0 HB2 SER A 56 0.521 23.437 5.248 1.00 0.40 H new ATOM 0 HB3 SER A 56 -0.061 21.855 5.727 1.00 0.40 H new ATOM 0 HG SER A 56 -1.461 23.064 4.223 1.00 1.16 H new ATOM 1101 N PRO A 57 -1.806 23.194 9.142 1.00 0.41 N ATOM 1102 CA PRO A 57 -2.636 22.532 10.162 1.00 0.43 C ATOM 1103 C PRO A 57 -3.631 21.528 9.592 1.00 0.44 C ATOM 1104 O PRO A 57 -3.586 20.335 9.911 1.00 0.45 O ATOM 1105 CB PRO A 57 -3.382 23.706 10.784 1.00 0.48 C ATOM 1106 CG PRO A 57 -2.417 24.832 10.709 1.00 0.58 C ATOM 1107 CD PRO A 57 -1.651 24.636 9.428 1.00 0.45 C ATOM 0 HA PRO A 57 -2.030 21.944 10.852 1.00 0.43 H new ATOM 0 HB2 PRO A 57 -4.298 23.930 10.238 1.00 0.48 H new ATOM 0 HB3 PRO A 57 -3.668 23.495 11.814 1.00 0.48 H new ATOM 0 HG2 PRO A 57 -2.935 25.791 10.711 1.00 0.58 H new ATOM 0 HG3 PRO A 57 -1.747 24.830 11.569 1.00 0.58 H new ATOM 0 HD2 PRO A 57 -2.055 25.249 8.622 1.00 0.45 H new ATOM 0 HD3 PRO A 57 -0.602 24.911 9.543 1.00 0.45 H new ATOM 1115 N GLU A 58 -4.522 22.035 8.745 1.00 0.47 N ATOM 1116 CA GLU A 58 -5.564 21.230 8.126 1.00 0.51 C ATOM 1117 C GLU A 58 -4.987 20.105 7.280 1.00 0.47 C ATOM 1118 O GLU A 58 -5.549 19.015 7.231 1.00 0.47 O ATOM 1119 CB GLU A 58 -6.465 22.108 7.259 1.00 0.65 C ATOM 1120 CG GLU A 58 -7.523 21.324 6.502 1.00 1.44 C ATOM 1121 CD GLU A 58 -8.344 22.191 5.579 1.00 1.92 C ATOM 1122 OE1 GLU A 58 -7.927 22.399 4.422 1.00 2.45 O ATOM 1123 OE2 GLU A 58 -9.424 22.655 6.000 1.00 2.42 O ATOM 0 H GLU A 58 -4.540 23.017 8.470 1.00 0.47 H new ATOM 0 HA GLU A 58 -6.147 20.782 8.931 1.00 0.51 H new ATOM 0 HB2 GLU A 58 -6.955 22.849 7.891 1.00 0.65 H new ATOM 0 HB3 GLU A 58 -5.849 22.655 6.546 1.00 0.65 H new ATOM 0 HG2 GLU A 58 -7.040 20.538 5.921 1.00 1.44 H new ATOM 0 HG3 GLU A 58 -8.184 20.832 7.215 1.00 1.44 H new ATOM 1130 N LEU A 59 -3.853 20.351 6.638 1.00 0.46 N ATOM 1131 CA LEU A 59 -3.297 19.365 5.730 1.00 0.48 C ATOM 1132 C LEU A 59 -2.812 18.170 6.532 1.00 0.43 C ATOM 1133 O LEU A 59 -2.941 17.018 6.114 1.00 0.47 O ATOM 1134 CB LEU A 59 -2.147 19.958 4.920 1.00 0.56 C ATOM 1135 CG LEU A 59 -1.598 19.054 3.817 1.00 0.67 C ATOM 1136 CD1 LEU A 59 -2.673 18.749 2.781 1.00 1.15 C ATOM 1137 CD2 LEU A 59 -0.394 19.703 3.163 1.00 1.42 C ATOM 0 H LEU A 59 -3.310 21.210 6.728 1.00 0.46 H new ATOM 0 HA LEU A 59 -4.071 19.049 5.030 1.00 0.48 H new ATOM 0 HB2 LEU A 59 -2.484 20.892 4.469 1.00 0.56 H new ATOM 0 HB3 LEU A 59 -1.334 20.208 5.602 1.00 0.56 H new ATOM 0 HG LEU A 59 -1.286 18.111 4.265 1.00 0.67 H new ATOM 0 HD11 LEU A 59 -2.259 18.104 2.006 1.00 1.15 H new ATOM 0 HD12 LEU A 59 -3.510 18.245 3.263 1.00 1.15 H new ATOM 0 HD13 LEU A 59 -3.020 19.680 2.332 1.00 1.15 H new ATOM 0 HD21 LEU A 59 -0.010 19.051 2.378 1.00 1.42 H new ATOM 0 HD22 LEU A 59 -0.687 20.659 2.729 1.00 1.42 H new ATOM 0 HD23 LEU A 59 0.382 19.867 3.911 1.00 1.42 H new ATOM 1149 N GLY A 60 -2.268 18.474 7.707 1.00 0.37 N ATOM 1150 CA GLY A 60 -1.840 17.449 8.632 1.00 0.36 C ATOM 1151 C GLY A 60 -3.002 16.612 9.114 1.00 0.35 C ATOM 1152 O GLY A 60 -2.864 15.414 9.332 1.00 0.36 O ATOM 0 H GLY A 60 -2.116 19.428 8.035 1.00 0.37 H new ATOM 0 HA2 GLY A 60 -1.104 16.806 8.148 1.00 0.36 H new ATOM 0 HA3 GLY A 60 -1.346 17.912 9.486 1.00 0.36 H new ATOM 1156 N ALA A 61 -4.153 17.248 9.281 1.00 0.37 N ATOM 1157 CA ALA A 61 -5.369 16.540 9.649 1.00 0.42 C ATOM 1158 C ALA A 61 -5.882 15.717 8.471 1.00 0.44 C ATOM 1159 O ALA A 61 -6.403 14.612 8.644 1.00 0.48 O ATOM 1160 CB ALA A 61 -6.430 17.524 10.116 1.00 0.45 C ATOM 0 H ALA A 61 -4.269 18.255 9.167 1.00 0.37 H new ATOM 0 HA ALA A 61 -5.143 15.860 10.470 1.00 0.42 H new ATOM 0 HB1 ALA A 61 -7.335 16.981 10.388 1.00 0.45 H new ATOM 0 HB2 ALA A 61 -6.061 18.073 10.983 1.00 0.45 H new ATOM 0 HB3 ALA A 61 -6.655 18.225 9.312 1.00 0.45 H new ATOM 1166 N LYS A 62 -5.714 16.261 7.271 1.00 0.45 N ATOM 1167 CA LYS A 62 -6.125 15.587 6.048 1.00 0.50 C ATOM 1168 C LYS A 62 -5.328 14.305 5.834 1.00 0.54 C ATOM 1169 O LYS A 62 -5.899 13.267 5.495 1.00 0.69 O ATOM 1170 CB LYS A 62 -5.988 16.533 4.847 1.00 0.53 C ATOM 1171 CG LYS A 62 -7.046 17.628 4.838 1.00 0.90 C ATOM 1172 CD LYS A 62 -6.737 18.732 3.839 1.00 1.25 C ATOM 1173 CE LYS A 62 -6.689 18.226 2.406 1.00 1.51 C ATOM 1174 NZ LYS A 62 -6.471 19.341 1.448 1.00 2.17 N ATOM 0 H LYS A 62 -5.291 17.177 7.120 1.00 0.45 H new ATOM 0 HA LYS A 62 -7.174 15.307 6.145 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -4.998 16.990 4.860 1.00 0.53 H new ATOM 0 HB3 LYS A 62 -6.060 15.956 3.925 1.00 0.53 H new ATOM 0 HG2 LYS A 62 -8.015 17.189 4.601 1.00 0.90 H new ATOM 0 HG3 LYS A 62 -7.126 18.058 5.836 1.00 0.90 H new ATOM 0 HD2 LYS A 62 -7.494 19.512 3.920 1.00 1.25 H new ATOM 0 HD3 LYS A 62 -5.780 19.188 4.092 1.00 1.25 H new ATOM 0 HE2 LYS A 62 -5.889 17.493 2.303 1.00 1.51 H new ATOM 0 HE3 LYS A 62 -7.622 17.715 2.167 1.00 1.51 H new ATOM 0 HZ1 LYS A 62 -6.443 18.965 0.479 1.00 2.17 H new ATOM 0 HZ2 LYS A 62 -7.248 20.027 1.531 1.00 2.17 H new ATOM 0 HZ3 LYS A 62 -5.569 19.812 1.663 1.00 2.17 H new ATOM 1188 N VAL A 63 -4.016 14.366 6.042 1.00 0.45 N ATOM 1189 CA VAL A 63 -3.184 13.177 5.928 1.00 0.48 C ATOM 1190 C VAL A 63 -3.378 12.263 7.135 1.00 0.46 C ATOM 1191 O VAL A 63 -3.264 11.041 7.022 1.00 0.53 O ATOM 1192 CB VAL A 63 -1.686 13.525 5.790 1.00 0.48 C ATOM 1193 CG1 VAL A 63 -1.464 14.475 4.633 1.00 1.12 C ATOM 1194 CG2 VAL A 63 -1.138 14.114 7.075 1.00 1.12 C ATOM 0 H VAL A 63 -3.512 15.218 6.288 1.00 0.45 H new ATOM 0 HA VAL A 63 -3.500 12.661 5.021 1.00 0.48 H new ATOM 0 HB VAL A 63 -1.146 12.600 5.588 1.00 0.48 H new ATOM 0 HG11 VAL A 63 -0.402 14.708 4.552 1.00 1.12 H new ATOM 0 HG12 VAL A 63 -1.804 14.008 3.709 1.00 1.12 H new ATOM 0 HG13 VAL A 63 -2.025 15.394 4.804 1.00 1.12 H new ATOM 0 HG21 VAL A 63 -0.081 14.349 6.946 1.00 1.12 H new ATOM 0 HG22 VAL A 63 -1.685 15.025 7.320 1.00 1.12 H new ATOM 0 HG23 VAL A 63 -1.253 13.393 7.884 1.00 1.12 H new ATOM 1198 N GLU A 64 -3.676 12.863 8.287 1.00 0.41 N ATOM 1199 CA GLU A 64 -3.883 12.109 9.517 1.00 0.42 C ATOM 1200 C GLU A 64 -5.026 11.126 9.359 1.00 0.50 C ATOM 1201 O GLU A 64 -4.831 9.923 9.503 1.00 0.55 O ATOM 1202 CB GLU A 64 -4.175 13.037 10.700 1.00 0.42 C ATOM 1203 CG GLU A 64 -4.444 12.288 11.998 1.00 0.53 C ATOM 1204 CD GLU A 64 -4.866 13.199 13.131 1.00 1.11 C ATOM 1205 OE1 GLU A 64 -6.012 13.689 13.114 1.00 1.66 O ATOM 1206 OE2 GLU A 64 -4.048 13.441 14.045 1.00 1.70 O ATOM 0 H GLU A 64 -3.779 13.872 8.391 1.00 0.41 H new ATOM 0 HA GLU A 64 -2.961 11.564 9.719 1.00 0.42 H new ATOM 0 HB2 GLU A 64 -3.329 13.708 10.844 1.00 0.42 H new ATOM 0 HB3 GLU A 64 -5.038 13.659 10.461 1.00 0.42 H new ATOM 0 HG2 GLU A 64 -5.223 11.545 11.827 1.00 0.53 H new ATOM 0 HG3 GLU A 64 -3.545 11.746 12.291 1.00 0.53 H new ATOM 1213 N LYS A 65 -6.213 11.642 9.042 1.00 0.58 N ATOM 1214 CA LYS A 65 -7.398 10.814 8.944 1.00 0.69 C ATOM 1215 C LYS A 65 -7.183 9.705 7.924 1.00 0.71 C ATOM 1216 O LYS A 65 -7.616 8.568 8.110 1.00 0.76 O ATOM 1217 CB LYS A 65 -8.604 11.661 8.542 1.00 0.84 C ATOM 1218 CG LYS A 65 -9.919 10.926 8.686 1.00 1.92 C ATOM 1219 CD LYS A 65 -11.085 11.741 8.154 1.00 2.40 C ATOM 1220 CE LYS A 65 -12.404 11.014 8.359 1.00 3.23 C ATOM 1221 NZ LYS A 65 -13.551 11.762 7.783 1.00 3.96 N ATOM 0 H LYS A 65 -6.372 12.631 8.850 1.00 0.58 H new ATOM 0 HA LYS A 65 -7.589 10.366 9.919 1.00 0.69 H new ATOM 0 HB2 LYS A 65 -8.629 12.562 9.155 1.00 0.84 H new ATOM 0 HB3 LYS A 65 -8.486 11.983 7.507 1.00 0.84 H new ATOM 0 HG2 LYS A 65 -9.865 9.978 8.151 1.00 1.92 H new ATOM 0 HG3 LYS A 65 -10.090 10.690 9.736 1.00 1.92 H new ATOM 0 HD2 LYS A 65 -11.117 12.707 8.658 1.00 2.40 H new ATOM 0 HD3 LYS A 65 -10.938 11.941 7.093 1.00 2.40 H new ATOM 0 HE2 LYS A 65 -12.348 10.027 7.900 1.00 3.23 H new ATOM 0 HE3 LYS A 65 -12.571 10.861 9.425 1.00 3.23 H new ATOM 0 HZ1 LYS A 65 -14.430 11.230 7.946 1.00 3.96 H new ATOM 0 HZ2 LYS A 65 -13.622 12.694 8.239 1.00 3.96 H new ATOM 0 HZ3 LYS A 65 -13.406 11.886 6.761 1.00 3.96 H new ATOM 1235 N LEU A 66 -6.482 10.056 6.852 1.00 0.72 N ATOM 1236 CA LEU A 66 -6.211 9.129 5.769 1.00 0.80 C ATOM 1237 C LEU A 66 -5.311 8.006 6.260 1.00 0.76 C ATOM 1238 O LEU A 66 -5.585 6.831 6.022 1.00 1.07 O ATOM 1239 CB LEU A 66 -5.567 9.882 4.589 1.00 0.84 C ATOM 1240 CG LEU A 66 -5.392 9.101 3.275 1.00 0.77 C ATOM 1241 CD1 LEU A 66 -4.248 8.095 3.359 1.00 1.50 C ATOM 1242 CD2 LEU A 66 -6.687 8.400 2.899 1.00 1.37 C ATOM 0 H LEU A 66 -6.089 10.987 6.713 1.00 0.72 H new ATOM 0 HA LEU A 66 -7.146 8.687 5.424 1.00 0.80 H new ATOM 0 HB2 LEU A 66 -6.171 10.765 4.380 1.00 0.84 H new ATOM 0 HB3 LEU A 66 -4.586 10.235 4.907 1.00 0.84 H new ATOM 0 HG LEU A 66 -5.138 9.821 2.497 1.00 0.77 H new ATOM 0 HD11 LEU A 66 -4.159 7.565 2.411 1.00 1.50 H new ATOM 0 HD12 LEU A 66 -3.316 8.620 3.570 1.00 1.50 H new ATOM 0 HD13 LEU A 66 -4.450 7.380 4.156 1.00 1.50 H new ATOM 0 HD21 LEU A 66 -6.547 7.852 1.967 1.00 1.37 H new ATOM 0 HD22 LEU A 66 -6.967 7.705 3.690 1.00 1.37 H new ATOM 0 HD23 LEU A 66 -7.477 9.140 2.769 1.00 1.37 H new ATOM 1254 N HIS A 67 -4.270 8.364 6.985 1.00 0.52 N ATOM 1255 CA HIS A 67 -3.271 7.393 7.373 1.00 0.55 C ATOM 1256 C HIS A 67 -3.799 6.575 8.542 1.00 0.44 C ATOM 1257 O HIS A 67 -3.482 5.397 8.685 1.00 0.45 O ATOM 1258 CB HIS A 67 -1.953 8.087 7.732 1.00 0.67 C ATOM 1259 CG HIS A 67 -0.770 7.172 7.685 1.00 0.94 C ATOM 1260 ND1 HIS A 67 -0.448 6.120 8.460 1.00 1.62 N flip ATOM 1261 CD2 HIS A 67 0.239 7.281 6.753 1.00 1.85 C flip ATOM 1262 CE1 HIS A 67 0.735 5.608 7.993 1.00 2.13 C flip ATOM 1263 NE2 HIS A 67 1.130 6.326 6.963 1.00 2.34 N flip ATOM 0 H HIS A 67 -4.096 9.313 7.315 1.00 0.52 H new ATOM 0 HA HIS A 67 -3.069 6.725 6.536 1.00 0.55 H new ATOM 0 HB2 HIS A 67 -1.789 8.917 7.045 1.00 0.67 H new ATOM 0 HB3 HIS A 67 -2.035 8.512 8.732 1.00 0.67 H new ATOM 0 HD2 HIS A 67 0.294 8.028 5.975 1.00 1.85 H new ATOM 0 HE1 HIS A 67 1.257 4.756 8.403 1.00 2.13 H new ATOM 0 HE2 HIS A 67 1.979 6.172 6.419 1.00 2.34 H new ATOM 1272 N ALA A 68 -4.629 7.216 9.347 1.00 0.39 N ATOM 1273 CA ALA A 68 -5.283 6.576 10.475 1.00 0.36 C ATOM 1274 C ALA A 68 -6.170 5.417 10.025 1.00 0.34 C ATOM 1275 O ALA A 68 -6.135 4.337 10.617 1.00 0.37 O ATOM 1276 CB ALA A 68 -6.098 7.613 11.224 1.00 0.40 C ATOM 0 H ALA A 68 -4.869 8.201 9.235 1.00 0.39 H new ATOM 0 HA ALA A 68 -4.521 6.159 11.134 1.00 0.36 H new ATOM 0 HB1 ALA A 68 -6.593 7.142 12.073 1.00 0.40 H new ATOM 0 HB2 ALA A 68 -5.439 8.405 11.581 1.00 0.40 H new ATOM 0 HB3 ALA A 68 -6.848 8.038 10.557 1.00 0.40 H new ATOM 1282 N MET A 69 -6.962 5.640 8.977 1.00 0.33 N ATOM 1283 CA MET A 69 -7.804 4.580 8.420 1.00 0.37 C ATOM 1284 C MET A 69 -6.938 3.420 7.962 1.00 0.37 C ATOM 1285 O MET A 69 -7.203 2.260 8.275 1.00 0.42 O ATOM 1286 CB MET A 69 -8.613 5.082 7.227 1.00 0.46 C ATOM 1287 CG MET A 69 -9.570 6.214 7.544 1.00 0.44 C ATOM 1288 SD MET A 69 -10.575 6.666 6.114 1.00 0.72 S ATOM 1289 CE MET A 69 -9.305 6.983 4.889 1.00 0.55 C ATOM 0 H MET A 69 -7.039 6.538 8.499 1.00 0.33 H new ATOM 0 HA MET A 69 -8.490 4.258 9.203 1.00 0.37 H new ATOM 0 HB2 MET A 69 -7.923 5.414 6.451 1.00 0.46 H new ATOM 0 HB3 MET A 69 -9.181 4.249 6.814 1.00 0.46 H new ATOM 0 HG2 MET A 69 -10.221 5.919 8.367 1.00 0.44 H new ATOM 0 HG3 MET A 69 -9.005 7.083 7.880 1.00 0.44 H new ATOM 0 HE1 MET A 69 -9.518 7.923 4.379 1.00 0.55 H new ATOM 0 HE2 MET A 69 -8.334 7.048 5.380 1.00 0.55 H new ATOM 0 HE3 MET A 69 -9.290 6.171 4.162 1.00 0.55 H new ATOM 1299 N VAL A 70 -5.897 3.761 7.215 1.00 0.36 N ATOM 1300 CA VAL A 70 -4.933 2.800 6.722 1.00 0.39 C ATOM 1301 C VAL A 70 -4.346 1.987 7.875 1.00 0.38 C ATOM 1302 O VAL A 70 -4.259 0.761 7.810 1.00 0.38 O ATOM 1303 CB VAL A 70 -3.816 3.548 5.965 1.00 0.42 C ATOM 1304 CG1 VAL A 70 -2.727 2.601 5.508 1.00 0.79 C ATOM 1305 CG2 VAL A 70 -4.410 4.300 4.780 1.00 0.70 C ATOM 0 H VAL A 70 -5.700 4.722 6.934 1.00 0.36 H new ATOM 0 HA VAL A 70 -5.430 2.107 6.043 1.00 0.39 H new ATOM 0 HB VAL A 70 -3.358 4.264 6.648 1.00 0.42 H new ATOM 0 HG11 VAL A 70 -1.956 3.161 4.978 1.00 0.79 H new ATOM 0 HG12 VAL A 70 -2.286 2.108 6.375 1.00 0.79 H new ATOM 0 HG13 VAL A 70 -3.153 1.851 4.842 1.00 0.79 H new ATOM 0 HG21 VAL A 70 -3.617 4.827 4.249 1.00 0.70 H new ATOM 0 HG22 VAL A 70 -4.892 3.593 4.105 1.00 0.70 H new ATOM 0 HG23 VAL A 70 -5.147 5.019 5.138 1.00 0.70 H new ATOM 1309 N LYS A 71 -3.979 2.685 8.940 1.00 0.40 N ATOM 1310 CA LYS A 71 -3.444 2.052 10.138 1.00 0.43 C ATOM 1311 C LYS A 71 -4.470 1.143 10.799 1.00 0.44 C ATOM 1312 O LYS A 71 -4.125 0.090 11.315 1.00 0.45 O ATOM 1313 CB LYS A 71 -2.989 3.109 11.138 1.00 0.48 C ATOM 1314 CG LYS A 71 -1.707 3.811 10.734 1.00 1.22 C ATOM 1315 CD LYS A 71 -0.507 2.877 10.772 1.00 1.30 C ATOM 1316 CE LYS A 71 -0.375 2.194 12.125 1.00 0.75 C ATOM 1317 NZ LYS A 71 0.943 1.527 12.287 1.00 1.47 N ATOM 0 H LYS A 71 -4.043 3.701 8.999 1.00 0.40 H new ATOM 0 HA LYS A 71 -2.593 1.444 9.831 1.00 0.43 H new ATOM 0 HB2 LYS A 71 -3.779 3.851 11.255 1.00 0.48 H new ATOM 0 HB3 LYS A 71 -2.846 2.639 12.111 1.00 0.48 H new ATOM 0 HG2 LYS A 71 -1.818 4.217 9.729 1.00 1.22 H new ATOM 0 HG3 LYS A 71 -1.530 4.655 11.401 1.00 1.22 H new ATOM 0 HD2 LYS A 71 -0.606 2.123 9.991 1.00 1.30 H new ATOM 0 HD3 LYS A 71 0.401 3.441 10.558 1.00 1.30 H new ATOM 0 HE2 LYS A 71 -0.508 2.931 12.917 1.00 0.75 H new ATOM 0 HE3 LYS A 71 -1.170 1.457 12.238 1.00 0.75 H new ATOM 0 HZ1 LYS A 71 0.862 0.765 12.990 1.00 1.47 H new ATOM 0 HZ2 LYS A 71 1.244 1.127 11.375 1.00 1.47 H new ATOM 0 HZ3 LYS A 71 1.647 2.222 12.609 1.00 1.47 H new ATOM 1331 N SER A 72 -5.726 1.565 10.796 1.00 0.45 N ATOM 1332 CA SER A 72 -6.799 0.782 11.400 1.00 0.49 C ATOM 1333 C SER A 72 -6.933 -0.576 10.712 1.00 0.45 C ATOM 1334 O SER A 72 -7.184 -1.594 11.358 1.00 0.49 O ATOM 1335 CB SER A 72 -8.114 1.557 11.321 1.00 0.56 C ATOM 1336 OG SER A 72 -7.992 2.821 11.954 1.00 1.26 O ATOM 0 H SER A 72 -6.029 2.446 10.382 1.00 0.45 H new ATOM 0 HA SER A 72 -6.556 0.605 12.448 1.00 0.49 H new ATOM 0 HB2 SER A 72 -8.399 1.694 10.278 1.00 0.56 H new ATOM 0 HB3 SER A 72 -8.909 0.982 11.796 1.00 0.56 H new ATOM 0 HG SER A 72 -7.376 3.385 11.442 1.00 1.26 H new ATOM 1342 N LYS A 73 -6.744 -0.580 9.402 1.00 0.39 N ATOM 1343 CA LYS A 73 -6.772 -1.806 8.624 1.00 0.38 C ATOM 1344 C LYS A 73 -5.506 -2.614 8.879 1.00 0.33 C ATOM 1345 O LYS A 73 -5.579 -3.795 9.179 1.00 0.38 O ATOM 1346 CB LYS A 73 -6.923 -1.491 7.134 1.00 0.44 C ATOM 1347 CG LYS A 73 -8.045 -0.512 6.842 1.00 0.62 C ATOM 1348 CD LYS A 73 -8.127 -0.165 5.365 1.00 0.78 C ATOM 1349 CE LYS A 73 -9.088 0.986 5.121 1.00 0.88 C ATOM 1350 NZ LYS A 73 -10.441 0.711 5.673 1.00 1.54 N ATOM 0 H LYS A 73 -6.568 0.261 8.852 1.00 0.39 H new ATOM 0 HA LYS A 73 -7.632 -2.400 8.933 1.00 0.38 H new ATOM 0 HB2 LYS A 73 -5.985 -1.082 6.759 1.00 0.44 H new ATOM 0 HB3 LYS A 73 -7.107 -2.417 6.590 1.00 0.44 H new ATOM 0 HG2 LYS A 73 -8.993 -0.940 7.167 1.00 0.62 H new ATOM 0 HG3 LYS A 73 -7.891 0.399 7.421 1.00 0.62 H new ATOM 0 HD2 LYS A 73 -7.136 0.101 4.996 1.00 0.78 H new ATOM 0 HD3 LYS A 73 -8.453 -1.039 4.801 1.00 0.78 H new ATOM 0 HE2 LYS A 73 -8.689 1.893 5.575 1.00 0.88 H new ATOM 0 HE3 LYS A 73 -9.165 1.173 4.050 1.00 0.88 H new ATOM 0 HZ1 LYS A 73 -11.109 1.429 5.327 1.00 1.54 H new ATOM 0 HZ2 LYS A 73 -10.756 -0.232 5.366 1.00 1.54 H new ATOM 0 HZ3 LYS A 73 -10.405 0.743 6.712 1.00 1.54 H new ATOM 1364 N ILE A 74 -4.351 -1.972 8.812 1.00 0.28 N ATOM 1365 CA ILE A 74 -3.087 -2.650 9.088 1.00 0.28 C ATOM 1366 C ILE A 74 -3.052 -3.163 10.532 1.00 0.28 C ATOM 1367 O ILE A 74 -2.329 -4.100 10.867 1.00 0.30 O ATOM 1368 CB ILE A 74 -1.895 -1.711 8.804 1.00 0.30 C ATOM 1369 CG1 ILE A 74 -1.879 -1.375 7.315 1.00 0.30 C ATOM 1370 CG2 ILE A 74 -0.578 -2.348 9.224 1.00 0.34 C ATOM 1371 CD1 ILE A 74 -0.810 -0.391 6.906 1.00 0.32 C ATOM 0 H ILE A 74 -4.259 -0.985 8.570 1.00 0.28 H new ATOM 0 HA ILE A 74 -3.005 -3.511 8.424 1.00 0.28 H new ATOM 0 HB ILE A 74 -2.012 -0.798 9.388 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -1.742 -2.297 6.749 1.00 0.30 H new ATOM 0 HG13 ILE A 74 -2.852 -0.971 7.036 1.00 0.30 H new ATOM 0 HG21 ILE A 74 0.242 -1.662 9.011 1.00 0.34 H new ATOM 0 HG22 ILE A 74 -0.603 -2.564 10.292 1.00 0.34 H new ATOM 0 HG23 ILE A 74 -0.429 -3.275 8.670 1.00 0.34 H new ATOM 0 HD11 ILE A 74 -0.873 -0.211 5.833 1.00 0.32 H new ATOM 0 HD12 ILE A 74 -0.956 0.548 7.441 1.00 0.32 H new ATOM 0 HD13 ILE A 74 0.171 -0.798 7.149 1.00 0.32 H new ATOM 1378 N ALA A 75 -3.895 -2.575 11.363 1.00 0.31 N ATOM 1379 CA ALA A 75 -4.030 -2.986 12.759 1.00 0.32 C ATOM 1380 C ALA A 75 -4.769 -4.312 12.836 1.00 0.32 C ATOM 1381 O ALA A 75 -4.594 -5.098 13.764 1.00 0.35 O ATOM 1382 CB ALA A 75 -4.795 -1.939 13.552 1.00 0.34 C ATOM 0 H ALA A 75 -4.505 -1.802 11.096 1.00 0.31 H new ATOM 0 HA ALA A 75 -3.032 -3.095 13.185 1.00 0.32 H new ATOM 0 HB1 ALA A 75 -4.886 -2.262 14.589 1.00 0.34 H new ATOM 0 HB2 ALA A 75 -4.260 -0.990 13.513 1.00 0.34 H new ATOM 0 HB3 ALA A 75 -5.789 -1.812 13.123 1.00 0.34 H new ATOM 1388 N ALA A 76 -5.605 -4.530 11.836 1.00 0.31 N ATOM 1389 CA ALA A 76 -6.423 -5.723 11.727 1.00 0.32 C ATOM 1390 C ALA A 76 -5.691 -6.794 10.928 1.00 0.34 C ATOM 1391 O ALA A 76 -6.209 -7.888 10.708 1.00 0.49 O ATOM 1392 CB ALA A 76 -7.738 -5.362 11.047 1.00 0.35 C ATOM 0 H ALA A 76 -5.736 -3.873 11.067 1.00 0.31 H new ATOM 0 HA ALA A 76 -6.625 -6.119 12.722 1.00 0.32 H new ATOM 0 HB1 ALA A 76 -8.360 -6.253 10.961 1.00 0.35 H new ATOM 0 HB2 ALA A 76 -8.260 -4.611 11.640 1.00 0.35 H new ATOM 0 HB3 ALA A 76 -7.536 -4.963 10.053 1.00 0.35 H new ATOM 1398 N LEU A 77 -4.480 -6.468 10.505 1.00 0.34 N ATOM 1399 CA LEU A 77 -3.701 -7.327 9.632 1.00 0.31 C ATOM 1400 C LEU A 77 -2.734 -8.182 10.443 1.00 0.32 C ATOM 1401 O LEU A 77 -2.159 -7.715 11.426 1.00 0.33 O ATOM 1402 CB LEU A 77 -2.943 -6.445 8.639 1.00 0.30 C ATOM 1403 CG LEU A 77 -2.473 -7.112 7.349 1.00 0.38 C ATOM 1404 CD1 LEU A 77 -3.567 -7.998 6.778 1.00 0.71 C ATOM 1405 CD2 LEU A 77 -2.092 -6.042 6.344 1.00 0.58 C ATOM 0 H LEU A 77 -4.010 -5.599 10.759 1.00 0.34 H new ATOM 0 HA LEU A 77 -4.363 -8.005 9.092 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -3.583 -5.604 8.373 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -2.071 -6.033 9.147 1.00 0.30 H new ATOM 0 HG LEU A 77 -1.606 -7.736 7.565 1.00 0.38 H new ATOM 0 HD11 LEU A 77 -3.214 -8.465 5.859 1.00 0.71 H new ATOM 0 HD12 LEU A 77 -3.824 -8.771 7.502 1.00 0.71 H new ATOM 0 HD13 LEU A 77 -4.449 -7.394 6.563 1.00 0.71 H new ATOM 0 HD21 LEU A 77 -1.755 -6.513 5.421 1.00 0.58 H new ATOM 0 HD22 LEU A 77 -2.958 -5.413 6.136 1.00 0.58 H new ATOM 0 HD23 LEU A 77 -1.288 -5.429 6.752 1.00 0.58 H new ATOM 1417 N GLY A 78 -2.584 -9.440 10.043 1.00 0.36 N ATOM 1418 CA GLY A 78 -1.674 -10.340 10.730 1.00 0.42 C ATOM 1419 C GLY A 78 -0.222 -9.968 10.503 1.00 0.46 C ATOM 1420 O GLY A 78 0.081 -9.275 9.535 1.00 0.76 O ATOM 0 H GLY A 78 -3.078 -9.854 9.253 1.00 0.36 H new ATOM 0 HA2 GLY A 78 -1.888 -10.325 11.799 1.00 0.42 H new ATOM 0 HA3 GLY A 78 -1.844 -11.360 10.385 1.00 0.42 H new ATOM 1424 N PRO A 79 0.698 -10.433 11.370 1.00 0.66 N ATOM 1425 CA PRO A 79 2.120 -10.055 11.340 1.00 0.86 C ATOM 1426 C PRO A 79 2.749 -10.144 9.950 1.00 0.60 C ATOM 1427 O PRO A 79 3.480 -9.244 9.534 1.00 0.64 O ATOM 1428 CB PRO A 79 2.796 -11.061 12.284 1.00 1.32 C ATOM 1429 CG PRO A 79 1.747 -12.059 12.641 1.00 1.56 C ATOM 1430 CD PRO A 79 0.427 -11.371 12.461 1.00 1.10 C ATOM 0 HA PRO A 79 2.243 -9.013 11.635 1.00 0.86 H new ATOM 0 HB2 PRO A 79 3.644 -11.543 11.798 1.00 1.32 H new ATOM 0 HB3 PRO A 79 3.180 -10.563 13.174 1.00 1.32 H new ATOM 0 HG2 PRO A 79 1.816 -12.940 12.002 1.00 1.56 H new ATOM 0 HG3 PRO A 79 1.870 -12.400 13.669 1.00 1.56 H new ATOM 0 HD2 PRO A 79 -0.364 -12.075 12.203 1.00 1.10 H new ATOM 0 HD3 PRO A 79 0.112 -10.856 13.369 1.00 1.10 H new ATOM 1438 N GLU A 80 2.441 -11.214 9.225 1.00 0.51 N ATOM 1439 CA GLU A 80 3.025 -11.433 7.910 1.00 0.49 C ATOM 1440 C GLU A 80 2.521 -10.405 6.914 1.00 0.42 C ATOM 1441 O GLU A 80 3.305 -9.819 6.166 1.00 0.49 O ATOM 1442 CB GLU A 80 2.723 -12.844 7.402 1.00 0.70 C ATOM 1443 CG GLU A 80 3.452 -13.933 8.173 1.00 1.25 C ATOM 1444 CD GLU A 80 3.212 -15.316 7.607 1.00 1.79 C ATOM 1445 OE1 GLU A 80 2.248 -15.979 8.043 1.00 2.52 O ATOM 1446 OE2 GLU A 80 4.001 -15.761 6.742 1.00 2.19 O ATOM 0 H GLU A 80 1.792 -11.941 9.526 1.00 0.51 H new ATOM 0 HA GLU A 80 4.105 -11.323 8.009 1.00 0.49 H new ATOM 0 HB2 GLU A 80 1.649 -13.022 7.464 1.00 0.70 H new ATOM 0 HB3 GLU A 80 2.997 -12.909 6.349 1.00 0.70 H new ATOM 0 HG2 GLU A 80 4.522 -13.723 8.165 1.00 1.25 H new ATOM 0 HG3 GLU A 80 3.131 -13.911 9.214 1.00 1.25 H new ATOM 1453 N ALA A 81 1.222 -10.155 6.918 1.00 0.36 N ATOM 1454 CA ALA A 81 0.656 -9.242 5.943 1.00 0.34 C ATOM 1455 C ALA A 81 0.888 -7.797 6.374 1.00 0.31 C ATOM 1456 O ALA A 81 1.044 -6.902 5.544 1.00 0.32 O ATOM 1457 CB ALA A 81 -0.815 -9.546 5.715 1.00 0.36 C ATOM 0 H ALA A 81 0.553 -10.562 7.571 1.00 0.36 H new ATOM 0 HA ALA A 81 1.162 -9.382 4.988 1.00 0.34 H new ATOM 0 HB1 ALA A 81 -1.221 -8.850 4.981 1.00 0.36 H new ATOM 0 HB2 ALA A 81 -0.923 -10.566 5.347 1.00 0.36 H new ATOM 0 HB3 ALA A 81 -1.358 -9.440 6.654 1.00 0.36 H new ATOM 1463 N LYS A 82 0.928 -7.588 7.685 1.00 0.31 N ATOM 1464 CA LYS A 82 1.228 -6.285 8.269 1.00 0.33 C ATOM 1465 C LYS A 82 2.638 -5.838 7.895 1.00 0.33 C ATOM 1466 O LYS A 82 2.869 -4.666 7.586 1.00 0.32 O ATOM 1467 CB LYS A 82 1.090 -6.355 9.794 1.00 0.41 C ATOM 1468 CG LYS A 82 1.403 -5.048 10.504 1.00 0.60 C ATOM 1469 CD LYS A 82 1.296 -5.184 12.015 1.00 0.86 C ATOM 1470 CE LYS A 82 -0.125 -5.505 12.452 1.00 1.33 C ATOM 1471 NZ LYS A 82 -0.253 -5.562 13.930 1.00 2.04 N ATOM 0 H LYS A 82 0.753 -8.319 8.375 1.00 0.31 H new ATOM 0 HA LYS A 82 0.519 -5.557 7.875 1.00 0.33 H new ATOM 0 HB2 LYS A 82 0.073 -6.657 10.043 1.00 0.41 H new ATOM 0 HB3 LYS A 82 1.755 -7.131 10.173 1.00 0.41 H new ATOM 0 HG2 LYS A 82 2.409 -4.723 10.239 1.00 0.60 H new ATOM 0 HG3 LYS A 82 0.717 -4.274 10.160 1.00 0.60 H new ATOM 0 HD2 LYS A 82 1.969 -5.970 12.358 1.00 0.86 H new ATOM 0 HD3 LYS A 82 1.621 -4.257 12.488 1.00 0.86 H new ATOM 0 HE2 LYS A 82 -0.805 -4.749 12.058 1.00 1.33 H new ATOM 0 HE3 LYS A 82 -0.429 -6.461 12.025 1.00 1.33 H new ATOM 0 HZ1 LYS A 82 -1.237 -5.783 14.185 1.00 2.04 H new ATOM 0 HZ2 LYS A 82 0.376 -6.300 14.305 1.00 2.04 H new ATOM 0 HZ3 LYS A 82 0.012 -4.642 14.337 1.00 2.04 H new ATOM 1485 N GLY A 83 3.574 -6.781 7.918 1.00 0.37 N ATOM 1486 CA GLY A 83 4.938 -6.484 7.532 1.00 0.41 C ATOM 1487 C GLY A 83 5.039 -6.096 6.074 1.00 0.39 C ATOM 1488 O GLY A 83 5.832 -5.232 5.703 1.00 0.41 O ATOM 0 H GLY A 83 3.410 -7.748 8.198 1.00 0.37 H new ATOM 0 HA2 GLY A 83 5.322 -5.673 8.151 1.00 0.41 H new ATOM 0 HA3 GLY A 83 5.566 -7.354 7.721 1.00 0.41 H new ATOM 1492 N PHE A 84 4.234 -6.749 5.245 1.00 0.37 N ATOM 1493 CA PHE A 84 4.142 -6.403 3.837 1.00 0.37 C ATOM 1494 C PHE A 84 3.482 -5.039 3.663 1.00 0.34 C ATOM 1495 O PHE A 84 3.978 -4.198 2.916 1.00 0.37 O ATOM 1496 CB PHE A 84 3.357 -7.481 3.080 1.00 0.39 C ATOM 1497 CG PHE A 84 2.992 -7.103 1.670 1.00 0.74 C ATOM 1498 CD1 PHE A 84 3.981 -6.892 0.724 1.00 0.71 C ATOM 1499 CD2 PHE A 84 1.666 -6.964 1.287 1.00 1.22 C ATOM 1500 CE1 PHE A 84 3.660 -6.547 -0.574 1.00 1.13 C ATOM 1501 CE2 PHE A 84 1.341 -6.619 -0.011 1.00 1.65 C ATOM 1502 CZ PHE A 84 2.293 -6.404 -0.927 1.00 1.59 C ATOM 0 H PHE A 84 3.634 -7.524 5.528 1.00 0.37 H new ATOM 0 HA PHE A 84 5.149 -6.349 3.424 1.00 0.37 H new ATOM 0 HB2 PHE A 84 3.948 -8.396 3.057 1.00 0.39 H new ATOM 0 HB3 PHE A 84 2.444 -7.705 3.632 1.00 0.39 H new ATOM 0 HD1 PHE A 84 5.018 -6.999 1.005 1.00 0.71 H new ATOM 0 HD2 PHE A 84 0.880 -7.127 2.010 1.00 1.22 H new ATOM 0 HE1 PHE A 84 4.436 -6.389 -1.308 1.00 1.13 H new ATOM 0 HE2 PHE A 84 0.302 -6.521 -0.291 1.00 1.65 H new ATOM 0 HZ PHE A 84 2.021 -6.122 -1.933 1.00 1.59 H new ATOM 1512 N ALA A 85 2.375 -4.821 4.364 1.00 0.30 N ATOM 1513 CA ALA A 85 1.626 -3.573 4.266 1.00 0.30 C ATOM 1514 C ALA A 85 2.500 -2.369 4.592 1.00 0.32 C ATOM 1515 O ALA A 85 2.649 -1.461 3.776 1.00 0.41 O ATOM 1516 CB ALA A 85 0.417 -3.607 5.187 1.00 0.28 C ATOM 0 H ALA A 85 1.973 -5.499 5.012 1.00 0.30 H new ATOM 0 HA ALA A 85 1.287 -3.471 3.235 1.00 0.30 H new ATOM 0 HB1 ALA A 85 -0.131 -2.669 5.102 1.00 0.28 H new ATOM 0 HB2 ALA A 85 -0.233 -4.434 4.903 1.00 0.28 H new ATOM 0 HB3 ALA A 85 0.748 -3.742 6.217 1.00 0.28 H new ATOM 1522 N GLU A 86 3.120 -2.386 5.766 1.00 0.31 N ATOM 1523 CA GLU A 86 3.930 -1.257 6.212 1.00 0.37 C ATOM 1524 C GLU A 86 5.341 -1.349 5.644 1.00 0.44 C ATOM 1525 O GLU A 86 6.326 -1.068 6.332 1.00 0.70 O ATOM 1526 CB GLU A 86 3.975 -1.176 7.737 1.00 0.43 C ATOM 1527 CG GLU A 86 2.608 -1.014 8.376 1.00 0.55 C ATOM 1528 CD GLU A 86 2.685 -0.589 9.826 1.00 0.95 C ATOM 1529 OE1 GLU A 86 3.226 -1.364 10.645 1.00 1.11 O ATOM 1530 OE2 GLU A 86 2.202 0.518 10.155 1.00 1.96 O ATOM 0 H GLU A 86 3.078 -3.164 6.424 1.00 0.31 H new ATOM 0 HA GLU A 86 3.463 -0.346 5.839 1.00 0.37 H new ATOM 0 HB2 GLU A 86 4.445 -2.079 8.127 1.00 0.43 H new ATOM 0 HB3 GLU A 86 4.606 -0.337 8.030 1.00 0.43 H new ATOM 0 HG2 GLU A 86 2.035 -0.275 7.816 1.00 0.55 H new ATOM 0 HG3 GLU A 86 2.066 -1.957 8.307 1.00 0.55 H new ATOM 1537 N LYS A 87 5.429 -1.769 4.393 1.00 0.41 N ATOM 1538 CA LYS A 87 6.672 -1.798 3.671 1.00 0.49 C ATOM 1539 C LYS A 87 6.398 -1.580 2.189 1.00 0.49 C ATOM 1540 O LYS A 87 7.097 -0.818 1.527 1.00 0.57 O ATOM 1541 CB LYS A 87 7.388 -3.122 3.907 1.00 0.57 C ATOM 1542 CG LYS A 87 8.719 -3.206 3.203 1.00 0.69 C ATOM 1543 CD LYS A 87 9.536 -4.384 3.703 1.00 1.25 C ATOM 1544 CE LYS A 87 10.850 -4.520 2.955 1.00 1.75 C ATOM 1545 NZ LYS A 87 11.749 -3.364 3.195 1.00 2.12 N ATOM 0 H LYS A 87 4.629 -2.100 3.854 1.00 0.41 H new ATOM 0 HA LYS A 87 7.322 -1.000 4.029 1.00 0.49 H new ATOM 0 HB2 LYS A 87 7.540 -3.261 4.977 1.00 0.57 H new ATOM 0 HB3 LYS A 87 6.751 -3.939 3.567 1.00 0.57 H new ATOM 0 HG2 LYS A 87 8.559 -3.302 2.129 1.00 0.69 H new ATOM 0 HG3 LYS A 87 9.275 -2.282 3.361 1.00 0.69 H new ATOM 0 HD2 LYS A 87 9.735 -4.262 4.768 1.00 1.25 H new ATOM 0 HD3 LYS A 87 8.958 -5.301 3.590 1.00 1.25 H new ATOM 0 HE2 LYS A 87 11.350 -5.438 3.264 1.00 1.75 H new ATOM 0 HE3 LYS A 87 10.652 -4.609 1.887 1.00 1.75 H new ATOM 0 HZ1 LYS A 87 12.682 -3.558 2.779 1.00 2.12 H new ATOM 0 HZ2 LYS A 87 11.344 -2.512 2.756 1.00 2.12 H new ATOM 0 HZ3 LYS A 87 11.851 -3.211 4.218 1.00 2.12 H new ATOM 1559 N SER A 88 5.363 -2.240 1.677 1.00 0.46 N ATOM 1560 CA SER A 88 4.935 -2.038 0.299 1.00 0.51 C ATOM 1561 C SER A 88 4.376 -0.633 0.124 1.00 0.51 C ATOM 1562 O SER A 88 4.688 0.054 -0.850 1.00 0.57 O ATOM 1563 CB SER A 88 3.884 -3.077 -0.093 1.00 0.56 C ATOM 1564 OG SER A 88 2.804 -3.079 0.824 1.00 0.48 O ATOM 0 H SER A 88 4.806 -2.919 2.197 1.00 0.46 H new ATOM 0 HA SER A 88 5.800 -2.157 -0.354 1.00 0.51 H new ATOM 0 HB2 SER A 88 3.514 -2.864 -1.096 1.00 0.56 H new ATOM 0 HB3 SER A 88 4.340 -4.066 -0.125 1.00 0.56 H new ATOM 0 HG SER A 88 3.065 -3.562 1.636 1.00 0.48 H new ATOM 1570 N ILE A 89 3.553 -0.207 1.079 1.00 0.50 N ATOM 1571 CA ILE A 89 3.016 1.140 1.074 1.00 0.56 C ATOM 1572 C ILE A 89 4.140 2.154 1.232 1.00 0.55 C ATOM 1573 O ILE A 89 4.081 3.242 0.672 1.00 0.59 O ATOM 1574 CB ILE A 89 1.965 1.340 2.187 1.00 0.63 C ATOM 1575 CG1 ILE A 89 0.798 0.370 1.988 1.00 0.83 C ATOM 1576 CG2 ILE A 89 1.467 2.778 2.199 1.00 0.79 C ATOM 1577 CD1 ILE A 89 -0.285 0.507 3.032 1.00 1.09 C ATOM 0 H ILE A 89 3.246 -0.780 1.865 1.00 0.50 H new ATOM 0 HA ILE A 89 2.521 1.294 0.115 1.00 0.56 H new ATOM 0 HB ILE A 89 2.432 1.133 3.150 1.00 0.63 H new ATOM 0 HG12 ILE A 89 0.364 0.534 1.002 1.00 0.83 H new ATOM 0 HG13 ILE A 89 1.178 -0.651 2.003 1.00 0.83 H new ATOM 0 HG21 ILE A 89 0.727 2.900 2.990 1.00 0.79 H new ATOM 0 HG22 ILE A 89 2.305 3.452 2.379 1.00 0.79 H new ATOM 0 HG23 ILE A 89 1.012 3.014 1.237 1.00 0.79 H new ATOM 0 HD11 ILE A 89 -1.080 -0.211 2.828 1.00 1.09 H new ATOM 0 HD12 ILE A 89 0.135 0.313 4.019 1.00 1.09 H new ATOM 0 HD13 ILE A 89 -0.693 1.517 3.003 1.00 1.09 H new ATOM 1584 N GLU A 90 5.175 1.783 1.978 1.00 0.53 N ATOM 1585 CA GLU A 90 6.352 2.630 2.125 1.00 0.60 C ATOM 1586 C GLU A 90 7.003 2.863 0.764 1.00 0.56 C ATOM 1587 O GLU A 90 7.528 3.943 0.489 1.00 0.63 O ATOM 1588 CB GLU A 90 7.361 1.993 3.084 1.00 0.69 C ATOM 1589 CG GLU A 90 6.803 1.711 4.469 1.00 1.28 C ATOM 1590 CD GLU A 90 6.238 2.946 5.132 1.00 2.08 C ATOM 1591 OE1 GLU A 90 7.026 3.815 5.552 1.00 2.41 O ATOM 1592 OE2 GLU A 90 4.999 3.053 5.249 1.00 2.82 O ATOM 0 H GLU A 90 5.222 0.902 2.490 1.00 0.53 H new ATOM 0 HA GLU A 90 6.037 3.587 2.540 1.00 0.60 H new ATOM 0 HB2 GLU A 90 7.719 1.059 2.651 1.00 0.69 H new ATOM 0 HB3 GLU A 90 8.224 2.652 3.178 1.00 0.69 H new ATOM 0 HG2 GLU A 90 6.022 0.954 4.395 1.00 1.28 H new ATOM 0 HG3 GLU A 90 7.591 1.295 5.096 1.00 1.28 H new ATOM 1599 N ILE A 91 6.965 1.840 -0.083 1.00 0.47 N ATOM 1600 CA ILE A 91 7.479 1.947 -1.438 1.00 0.46 C ATOM 1601 C ILE A 91 6.544 2.809 -2.286 1.00 0.47 C ATOM 1602 O ILE A 91 6.977 3.767 -2.930 1.00 0.51 O ATOM 1603 CB ILE A 91 7.627 0.557 -2.103 1.00 0.43 C ATOM 1604 CG1 ILE A 91 8.450 -0.388 -1.222 1.00 0.43 C ATOM 1605 CG2 ILE A 91 8.280 0.696 -3.466 1.00 0.49 C ATOM 1606 CD1 ILE A 91 8.539 -1.804 -1.762 1.00 0.45 C ATOM 0 H ILE A 91 6.581 0.924 0.149 1.00 0.47 H new ATOM 0 HA ILE A 91 8.465 2.409 -1.379 1.00 0.46 H new ATOM 0 HB ILE A 91 6.631 0.131 -2.225 1.00 0.43 H new ATOM 0 HG12 ILE A 91 9.457 0.014 -1.115 1.00 0.43 H new ATOM 0 HG13 ILE A 91 8.010 -0.416 -0.225 1.00 0.43 H new ATOM 0 HG21 ILE A 91 8.379 -0.288 -3.924 1.00 0.49 H new ATOM 0 HG22 ILE A 91 7.664 1.332 -4.102 1.00 0.49 H new ATOM 0 HG23 ILE A 91 9.267 1.144 -3.353 1.00 0.49 H new ATOM 0 HD11 ILE A 91 9.137 -2.415 -1.085 1.00 0.45 H new ATOM 0 HD12 ILE A 91 7.537 -2.226 -1.843 1.00 0.45 H new ATOM 0 HD13 ILE A 91 9.007 -1.789 -2.746 1.00 0.45 H new ATOM 1613 N ALA A 92 5.255 2.478 -2.248 1.00 0.47 N ATOM 1614 CA ALA A 92 4.247 3.172 -3.044 1.00 0.53 C ATOM 1615 C ALA A 92 4.144 4.645 -2.655 1.00 0.60 C ATOM 1616 O ALA A 92 4.038 5.524 -3.513 1.00 0.64 O ATOM 1617 CB ALA A 92 2.896 2.487 -2.889 1.00 0.56 C ATOM 0 H ALA A 92 4.882 1.726 -1.668 1.00 0.47 H new ATOM 0 HA ALA A 92 4.553 3.126 -4.089 1.00 0.53 H new ATOM 0 HB1 ALA A 92 2.151 3.012 -3.487 1.00 0.56 H new ATOM 0 HB2 ALA A 92 2.971 1.454 -3.228 1.00 0.56 H new ATOM 0 HB3 ALA A 92 2.598 2.504 -1.841 1.00 0.56 H new ATOM 1623 N ARG A 93 4.167 4.900 -1.355 1.00 0.66 N ATOM 1624 CA ARG A 93 4.128 6.261 -0.839 1.00 0.77 C ATOM 1625 C ARG A 93 5.393 7.000 -1.229 1.00 0.68 C ATOM 1626 O ARG A 93 5.345 8.181 -1.546 1.00 0.68 O ATOM 1627 CB ARG A 93 3.994 6.271 0.686 1.00 0.99 C ATOM 1628 CG ARG A 93 3.856 7.667 1.275 1.00 1.55 C ATOM 1629 CD ARG A 93 4.298 7.703 2.727 1.00 1.83 C ATOM 1630 NE ARG A 93 5.741 7.490 2.860 1.00 2.71 N ATOM 1631 CZ ARG A 93 6.295 6.593 3.676 1.00 3.44 C ATOM 1632 NH1 ARG A 93 5.535 5.818 4.435 1.00 3.55 N ATOM 1633 NH2 ARG A 93 7.614 6.469 3.733 1.00 4.42 N ATOM 0 H ARG A 93 4.213 4.179 -0.635 1.00 0.66 H new ATOM 0 HA ARG A 93 3.259 6.756 -1.271 1.00 0.77 H new ATOM 0 HB2 ARG A 93 3.125 5.678 0.970 1.00 0.99 H new ATOM 0 HB3 ARG A 93 4.867 5.786 1.123 1.00 0.99 H new ATOM 0 HG2 ARG A 93 4.454 8.369 0.694 1.00 1.55 H new ATOM 0 HG3 ARG A 93 2.819 7.994 1.201 1.00 1.55 H new ATOM 0 HD2 ARG A 93 4.030 8.665 3.165 1.00 1.83 H new ATOM 0 HD3 ARG A 93 3.764 6.937 3.289 1.00 1.83 H new ATOM 0 HE ARG A 93 6.362 8.065 2.291 1.00 2.71 H new ATOM 0 HH11 ARG A 93 4.519 5.905 4.397 1.00 3.55 H new ATOM 0 HH12 ARG A 93 5.965 5.134 5.057 1.00 3.55 H new ATOM 0 HH21 ARG A 93 8.207 7.061 3.152 1.00 4.42 H new ATOM 0 HH22 ARG A 93 8.035 5.782 4.358 1.00 4.42 H new ATOM 1647 N GLY A 94 6.518 6.289 -1.222 1.00 0.66 N ATOM 1648 CA GLY A 94 7.791 6.899 -1.550 1.00 0.65 C ATOM 1649 C GLY A 94 7.817 7.423 -2.968 1.00 0.56 C ATOM 1650 O GLY A 94 8.467 8.427 -3.258 1.00 0.56 O ATOM 0 H GLY A 94 6.568 5.296 -0.993 1.00 0.66 H new ATOM 0 HA2 GLY A 94 7.991 7.716 -0.857 1.00 0.65 H new ATOM 0 HA3 GLY A 94 8.588 6.168 -1.419 1.00 0.65 H new ATOM 1654 N ILE A 95 7.089 6.746 -3.845 1.00 0.52 N ATOM 1655 CA ILE A 95 6.961 7.164 -5.232 1.00 0.48 C ATOM 1656 C ILE A 95 6.282 8.524 -5.323 1.00 0.47 C ATOM 1657 O ILE A 95 6.811 9.458 -5.921 1.00 0.49 O ATOM 1658 CB ILE A 95 6.154 6.135 -6.047 1.00 0.50 C ATOM 1659 CG1 ILE A 95 6.934 4.825 -6.170 1.00 0.53 C ATOM 1660 CG2 ILE A 95 5.794 6.687 -7.421 1.00 0.52 C ATOM 1661 CD1 ILE A 95 8.289 4.975 -6.833 1.00 0.55 C ATOM 0 H ILE A 95 6.573 5.896 -3.616 1.00 0.52 H new ATOM 0 HA ILE A 95 7.966 7.235 -5.648 1.00 0.48 H new ATOM 0 HB ILE A 95 5.223 5.932 -5.518 1.00 0.50 H new ATOM 0 HG12 ILE A 95 7.072 4.402 -5.175 1.00 0.53 H new ATOM 0 HG13 ILE A 95 6.339 4.112 -6.740 1.00 0.53 H new ATOM 0 HG21 ILE A 95 5.225 5.941 -7.975 1.00 0.52 H new ATOM 0 HG22 ILE A 95 5.193 7.589 -7.305 1.00 0.52 H new ATOM 0 HG23 ILE A 95 6.706 6.927 -7.967 1.00 0.52 H new ATOM 0 HD11 ILE A 95 8.779 4.003 -6.883 1.00 0.55 H new ATOM 0 HD12 ILE A 95 8.159 5.368 -7.841 1.00 0.55 H new ATOM 0 HD13 ILE A 95 8.904 5.662 -6.252 1.00 0.55 H new ATOM 1668 N LYS A 96 5.119 8.638 -4.706 1.00 0.50 N ATOM 1669 CA LYS A 96 4.365 9.880 -4.747 1.00 0.54 C ATOM 1670 C LYS A 96 4.848 10.846 -3.669 1.00 0.57 C ATOM 1671 O LYS A 96 4.320 11.941 -3.531 1.00 0.83 O ATOM 1672 CB LYS A 96 2.861 9.611 -4.640 1.00 0.64 C ATOM 1673 CG LYS A 96 2.427 8.977 -3.329 1.00 1.47 C ATOM 1674 CD LYS A 96 0.958 8.587 -3.383 1.00 1.78 C ATOM 1675 CE LYS A 96 0.436 8.143 -2.030 1.00 1.90 C ATOM 1676 NZ LYS A 96 -1.038 7.931 -2.054 1.00 2.70 N ATOM 0 H LYS A 96 4.677 7.889 -4.173 1.00 0.50 H new ATOM 0 HA LYS A 96 4.541 10.356 -5.712 1.00 0.54 H new ATOM 0 HB2 LYS A 96 2.326 10.552 -4.769 1.00 0.64 H new ATOM 0 HB3 LYS A 96 2.562 8.959 -5.461 1.00 0.64 H new ATOM 0 HG2 LYS A 96 3.035 8.096 -3.126 1.00 1.47 H new ATOM 0 HG3 LYS A 96 2.594 9.675 -2.509 1.00 1.47 H new ATOM 0 HD2 LYS A 96 0.371 9.434 -3.737 1.00 1.78 H new ATOM 0 HD3 LYS A 96 0.823 7.782 -4.105 1.00 1.78 H new ATOM 0 HE2 LYS A 96 0.932 7.219 -1.733 1.00 1.90 H new ATOM 0 HE3 LYS A 96 0.684 8.893 -1.279 1.00 1.90 H new ATOM 0 HZ1 LYS A 96 -1.437 8.163 -1.122 1.00 2.70 H new ATOM 0 HZ2 LYS A 96 -1.465 8.545 -2.777 1.00 2.70 H new ATOM 0 HZ3 LYS A 96 -1.242 6.937 -2.280 1.00 2.70 H new ATOM 1690 N ALA A 97 5.881 10.449 -2.945 1.00 0.50 N ATOM 1691 CA ALA A 97 6.571 11.347 -2.029 1.00 0.53 C ATOM 1692 C ALA A 97 7.723 12.026 -2.746 1.00 0.46 C ATOM 1693 O ALA A 97 8.023 13.193 -2.496 1.00 0.48 O ATOM 1694 CB ALA A 97 7.077 10.591 -0.813 1.00 0.63 C ATOM 0 H ALA A 97 6.264 9.504 -2.973 1.00 0.50 H new ATOM 0 HA ALA A 97 5.867 12.106 -1.687 1.00 0.53 H new ATOM 0 HB1 ALA A 97 7.589 11.281 -0.143 1.00 0.63 H new ATOM 0 HB2 ALA A 97 6.235 10.136 -0.291 1.00 0.63 H new ATOM 0 HB3 ALA A 97 7.771 9.813 -1.131 1.00 0.63 H new ATOM 1700 N ARG A 98 8.354 11.302 -3.661 1.00 0.41 N ATOM 1701 CA ARG A 98 9.395 11.887 -4.490 1.00 0.44 C ATOM 1702 C ARG A 98 8.753 12.600 -5.675 1.00 0.44 C ATOM 1703 O ARG A 98 9.429 13.245 -6.466 1.00 0.53 O ATOM 1704 CB ARG A 98 10.423 10.839 -4.938 1.00 0.51 C ATOM 1705 CG ARG A 98 9.819 9.718 -5.767 1.00 1.02 C ATOM 1706 CD ARG A 98 10.834 8.635 -6.109 1.00 0.81 C ATOM 1707 NE ARG A 98 11.308 7.925 -4.921 1.00 1.51 N ATOM 1708 CZ ARG A 98 11.761 6.669 -4.931 1.00 1.94 C ATOM 1709 NH1 ARG A 98 11.753 5.952 -6.052 1.00 1.37 N ATOM 1710 NH2 ARG A 98 12.208 6.119 -3.811 1.00 3.10 N ATOM 0 H ARG A 98 8.164 10.317 -3.846 1.00 0.41 H new ATOM 0 HA ARG A 98 9.948 12.618 -3.900 1.00 0.44 H new ATOM 0 HB2 ARG A 98 11.203 11.331 -5.519 1.00 0.51 H new ATOM 0 HB3 ARG A 98 10.903 10.412 -4.057 1.00 0.51 H new ATOM 0 HG2 ARG A 98 8.988 9.273 -5.220 1.00 1.02 H new ATOM 0 HG3 ARG A 98 9.409 10.132 -6.688 1.00 1.02 H new ATOM 0 HD2 ARG A 98 10.383 7.923 -6.800 1.00 0.81 H new ATOM 0 HD3 ARG A 98 11.683 9.085 -6.624 1.00 0.81 H new ATOM 0 HE ARG A 98 11.291 8.420 -4.029 1.00 1.51 H new ATOM 0 HH11 ARG A 98 11.398 6.361 -6.916 1.00 1.37 H new ATOM 0 HH12 ARG A 98 12.102 4.994 -6.047 1.00 1.37 H new ATOM 0 HH21 ARG A 98 12.206 6.655 -2.943 1.00 3.10 H new ATOM 0 HH22 ARG A 98 12.554 5.160 -3.817 1.00 3.10 H new ATOM 1724 N TYR A 99 7.436 12.499 -5.775 1.00 0.44 N ATOM 1725 CA TYR A 99 6.681 13.384 -6.647 1.00 0.50 C ATOM 1726 C TYR A 99 6.488 14.738 -5.965 1.00 0.54 C ATOM 1727 O TYR A 99 6.496 15.777 -6.621 1.00 0.64 O ATOM 1728 CB TYR A 99 5.323 12.784 -7.010 1.00 0.53 C ATOM 1729 CG TYR A 99 5.307 12.015 -8.317 1.00 0.59 C ATOM 1730 CD1 TYR A 99 5.347 12.683 -9.536 1.00 0.73 C ATOM 1731 CD2 TYR A 99 5.232 10.627 -8.337 1.00 0.60 C ATOM 1732 CE1 TYR A 99 5.312 11.992 -10.732 1.00 0.85 C ATOM 1733 CE2 TYR A 99 5.200 9.932 -9.529 1.00 0.71 C ATOM 1734 CZ TYR A 99 5.239 10.617 -10.722 1.00 0.83 C ATOM 1735 OH TYR A 99 5.201 9.923 -11.908 1.00 0.97 O ATOM 0 H TYR A 99 6.872 11.818 -5.267 1.00 0.44 H new ATOM 0 HA TYR A 99 7.246 13.516 -7.570 1.00 0.50 H new ATOM 0 HB2 TYR A 99 5.007 12.118 -6.207 1.00 0.53 H new ATOM 0 HB3 TYR A 99 4.588 13.587 -7.066 1.00 0.53 H new ATOM 0 HD1 TYR A 99 5.406 13.761 -9.548 1.00 0.73 H new ATOM 0 HD2 TYR A 99 5.198 10.084 -7.404 1.00 0.60 H new ATOM 0 HE1 TYR A 99 5.342 12.527 -11.669 1.00 0.85 H new ATOM 0 HE2 TYR A 99 5.145 8.853 -9.526 1.00 0.71 H new ATOM 0 HH TYR A 99 5.388 8.976 -11.739 1.00 0.97 H new ATOM 1745 N TYR A 100 6.336 14.715 -4.637 1.00 0.51 N ATOM 1746 CA TYR A 100 6.167 15.945 -3.860 1.00 0.58 C ATOM 1747 C TYR A 100 7.446 16.773 -3.880 1.00 0.58 C ATOM 1748 O TYR A 100 7.419 17.988 -4.065 1.00 0.71 O ATOM 1749 CB TYR A 100 5.828 15.645 -2.398 1.00 0.57 C ATOM 1750 CG TYR A 100 4.541 14.889 -2.171 1.00 0.72 C ATOM 1751 CD1 TYR A 100 3.408 15.128 -2.939 1.00 1.03 C ATOM 1752 CD2 TYR A 100 4.461 13.938 -1.168 1.00 0.97 C ATOM 1753 CE1 TYR A 100 2.237 14.433 -2.711 1.00 1.26 C ATOM 1754 CE2 TYR A 100 3.298 13.242 -0.930 1.00 1.16 C ATOM 1755 CZ TYR A 100 2.188 13.489 -1.700 1.00 1.21 C ATOM 1756 OH TYR A 100 1.029 12.791 -1.458 1.00 1.48 O ATOM 0 H TYR A 100 6.327 13.861 -4.080 1.00 0.51 H new ATOM 0 HA TYR A 100 5.347 16.496 -4.320 1.00 0.58 H new ATOM 0 HB2 TYR A 100 6.647 15.072 -1.964 1.00 0.57 H new ATOM 0 HB3 TYR A 100 5.776 16.588 -1.854 1.00 0.57 H new ATOM 0 HD1 TYR A 100 3.444 15.868 -3.725 1.00 1.03 H new ATOM 0 HD2 TYR A 100 5.330 13.738 -0.559 1.00 0.97 H new ATOM 0 HE1 TYR A 100 1.364 14.625 -3.318 1.00 1.26 H new ATOM 0 HE2 TYR A 100 3.258 12.505 -0.141 1.00 1.16 H new ATOM 0 HH TYR A 100 1.171 12.168 -0.715 1.00 1.48 H new ATOM 1766 N THR A 101 8.563 16.087 -3.678 1.00 0.55 N ATOM 1767 CA THR A 101 9.868 16.718 -3.557 1.00 0.66 C ATOM 1768 C THR A 101 10.324 17.381 -4.855 1.00 0.71 C ATOM 1769 O THR A 101 11.170 18.279 -4.845 1.00 0.71 O ATOM 1770 CB THR A 101 10.914 15.671 -3.140 1.00 0.71 C ATOM 1771 OG1 THR A 101 10.825 14.520 -3.984 1.00 0.65 O ATOM 1772 CG2 THR A 101 10.709 15.266 -1.685 1.00 0.87 C ATOM 0 H THR A 101 8.588 15.071 -3.593 1.00 0.55 H new ATOM 0 HA THR A 101 9.775 17.497 -2.800 1.00 0.66 H new ATOM 0 HB THR A 101 11.905 16.111 -3.245 1.00 0.71 H new ATOM 0 HG1 THR A 101 11.566 13.910 -3.785 1.00 0.65 H new ATOM 0 HG21 THR A 101 11.457 14.524 -1.405 1.00 0.87 H new ATOM 0 HG22 THR A 101 10.810 16.143 -1.046 1.00 0.87 H new ATOM 0 HG23 THR A 101 9.713 14.841 -1.563 1.00 0.87 H new ATOM 1780 N GLY A 102 9.758 16.937 -5.969 1.00 0.82 N ATOM 1781 CA GLY A 102 10.197 17.411 -7.266 1.00 0.95 C ATOM 1782 C GLY A 102 11.135 16.431 -7.943 1.00 0.95 C ATOM 1783 O GLY A 102 11.611 16.682 -9.049 1.00 1.16 O ATOM 0 H GLY A 102 9.000 16.255 -5.997 1.00 0.82 H new ATOM 0 HA2 GLY A 102 9.329 17.580 -7.903 1.00 0.95 H new ATOM 0 HA3 GLY A 102 10.699 18.372 -7.150 1.00 0.95 H new ATOM 1787 N ASN A 103 11.393 15.308 -7.282 1.00 0.82 N ATOM 1788 CA ASN A 103 12.281 14.278 -7.821 1.00 0.89 C ATOM 1789 C ASN A 103 11.469 13.231 -8.574 1.00 0.98 C ATOM 1790 O ASN A 103 11.528 12.037 -8.261 1.00 1.83 O ATOM 1791 CB ASN A 103 13.074 13.606 -6.694 1.00 0.90 C ATOM 1792 CG ASN A 103 14.050 14.547 -6.014 1.00 1.28 C ATOM 1793 OD1 ASN A 103 14.587 15.465 -6.634 1.00 1.76 O ATOM 1794 ND2 ASN A 103 14.287 14.323 -4.729 1.00 1.65 N ATOM 0 H ASN A 103 10.999 15.085 -6.368 1.00 0.82 H new ATOM 0 HA ASN A 103 12.982 14.752 -8.507 1.00 0.89 H new ATOM 0 HB2 ASN A 103 12.379 13.214 -5.952 1.00 0.90 H new ATOM 0 HB3 ASN A 103 13.621 12.755 -7.099 1.00 0.90 H new ATOM 0 HD21 ASN A 103 14.935 14.922 -4.218 1.00 1.65 H new ATOM 0 HD22 ASN A 103 13.821 13.551 -4.251 1.00 1.65 H new ATOM 1801 N GLU A 104 10.716 13.695 -9.563 1.00 0.56 N ATOM 1802 CA GLU A 104 9.761 12.862 -10.286 1.00 0.56 C ATOM 1803 C GLU A 104 10.424 11.620 -10.887 1.00 0.49 C ATOM 1804 O GLU A 104 11.342 11.723 -11.704 1.00 0.55 O ATOM 1805 CB GLU A 104 9.080 13.681 -11.380 1.00 0.67 C ATOM 1806 CG GLU A 104 8.390 14.930 -10.851 1.00 0.80 C ATOM 1807 CD GLU A 104 7.694 15.718 -11.939 1.00 1.15 C ATOM 1808 OE1 GLU A 104 8.380 16.444 -12.685 1.00 1.17 O ATOM 1809 OE2 GLU A 104 6.455 15.621 -12.052 1.00 1.75 O ATOM 0 H GLU A 104 10.750 14.661 -9.888 1.00 0.56 H new ATOM 0 HA GLU A 104 9.014 12.517 -9.571 1.00 0.56 H new ATOM 0 HB2 GLU A 104 9.823 13.971 -12.123 1.00 0.67 H new ATOM 0 HB3 GLU A 104 8.346 13.056 -11.889 1.00 0.67 H new ATOM 0 HG2 GLU A 104 7.661 14.644 -10.093 1.00 0.80 H new ATOM 0 HG3 GLU A 104 9.126 15.567 -10.361 1.00 0.80 H new ATOM 1816 N PRO A 105 9.964 10.432 -10.465 1.00 0.44 N ATOM 1817 CA PRO A 105 10.508 9.143 -10.923 1.00 0.44 C ATOM 1818 C PRO A 105 10.221 8.878 -12.396 1.00 0.42 C ATOM 1819 O PRO A 105 9.182 9.284 -12.912 1.00 0.47 O ATOM 1820 CB PRO A 105 9.765 8.122 -10.053 1.00 0.48 C ATOM 1821 CG PRO A 105 8.523 8.808 -9.615 1.00 0.53 C ATOM 1822 CD PRO A 105 8.876 10.258 -9.489 1.00 0.49 C ATOM 0 HA PRO A 105 11.593 9.106 -10.831 1.00 0.44 H new ATOM 0 HB2 PRO A 105 9.536 7.218 -10.617 1.00 0.48 H new ATOM 0 HB3 PRO A 105 10.370 7.820 -9.198 1.00 0.48 H new ATOM 0 HG2 PRO A 105 7.721 8.663 -10.339 1.00 0.53 H new ATOM 0 HG3 PRO A 105 8.171 8.408 -8.664 1.00 0.53 H new ATOM 0 HD2 PRO A 105 8.025 10.900 -9.718 1.00 0.49 H new ATOM 0 HD3 PRO A 105 9.200 10.506 -8.478 1.00 0.49 H new ATOM 1830 N THR A 106 11.137 8.198 -13.073 1.00 0.42 N ATOM 1831 CA THR A 106 10.916 7.819 -14.460 1.00 0.42 C ATOM 1832 C THR A 106 9.972 6.619 -14.524 1.00 0.39 C ATOM 1833 O THR A 106 9.714 5.992 -13.495 1.00 0.41 O ATOM 1834 CB THR A 106 12.244 7.492 -15.183 1.00 0.50 C ATOM 1835 OG1 THR A 106 12.011 7.282 -16.580 1.00 1.48 O ATOM 1836 CG2 THR A 106 12.896 6.253 -14.589 1.00 1.05 C ATOM 0 H THR A 106 12.033 7.900 -12.687 1.00 0.42 H new ATOM 0 HA THR A 106 10.463 8.668 -14.972 1.00 0.42 H new ATOM 0 HB THR A 106 12.915 8.341 -15.050 1.00 0.50 H new ATOM 0 HG1 THR A 106 12.859 7.078 -17.026 1.00 1.48 H new ATOM 0 HG21 THR A 106 13.828 6.045 -15.115 1.00 1.05 H new ATOM 0 HG22 THR A 106 13.105 6.423 -13.533 1.00 1.05 H new ATOM 0 HG23 THR A 106 12.223 5.402 -14.693 1.00 1.05 H new ATOM 1844 N LYS A 107 9.468 6.282 -15.709 1.00 0.39 N ATOM 1845 CA LYS A 107 8.480 5.208 -15.838 1.00 0.39 C ATOM 1846 C LYS A 107 9.014 3.894 -15.263 1.00 0.36 C ATOM 1847 O LYS A 107 8.271 3.091 -14.695 1.00 0.38 O ATOM 1848 CB LYS A 107 8.084 5.017 -17.308 1.00 0.43 C ATOM 1849 CG LYS A 107 9.261 4.704 -18.224 1.00 1.33 C ATOM 1850 CD LYS A 107 8.812 4.479 -19.659 1.00 1.66 C ATOM 1851 CE LYS A 107 9.997 4.240 -20.588 1.00 2.22 C ATOM 1852 NZ LYS A 107 10.740 2.995 -20.253 1.00 2.88 N ATOM 0 H LYS A 107 9.723 6.731 -16.588 1.00 0.39 H new ATOM 0 HA LYS A 107 7.597 5.496 -15.268 1.00 0.39 H new ATOM 0 HB2 LYS A 107 7.356 4.208 -17.377 1.00 0.43 H new ATOM 0 HB3 LYS A 107 7.590 5.922 -17.662 1.00 0.43 H new ATOM 0 HG2 LYS A 107 9.976 5.526 -18.191 1.00 1.33 H new ATOM 0 HG3 LYS A 107 9.779 3.816 -17.861 1.00 1.33 H new ATOM 0 HD2 LYS A 107 8.139 3.623 -19.700 1.00 1.66 H new ATOM 0 HD3 LYS A 107 8.248 5.345 -20.004 1.00 1.66 H new ATOM 0 HE2 LYS A 107 9.642 4.182 -21.617 1.00 2.22 H new ATOM 0 HE3 LYS A 107 10.676 5.091 -20.532 1.00 2.22 H new ATOM 0 HZ1 LYS A 107 11.191 2.618 -21.111 1.00 2.88 H new ATOM 0 HZ2 LYS A 107 11.469 3.207 -19.543 1.00 2.88 H new ATOM 0 HZ3 LYS A 107 10.079 2.289 -19.871 1.00 2.88 H new ATOM 1866 N ASP A 108 10.319 3.706 -15.384 1.00 0.36 N ATOM 1867 CA ASP A 108 10.960 2.463 -14.981 1.00 0.38 C ATOM 1868 C ASP A 108 11.253 2.446 -13.487 1.00 0.36 C ATOM 1869 O ASP A 108 11.521 1.393 -12.908 1.00 0.38 O ATOM 1870 CB ASP A 108 12.234 2.249 -15.795 1.00 0.47 C ATOM 1871 CG ASP A 108 11.928 2.135 -17.273 1.00 1.29 C ATOM 1872 OD1 ASP A 108 11.329 1.119 -17.680 1.00 1.26 O ATOM 1873 OD2 ASP A 108 12.242 3.075 -18.030 1.00 2.24 O ATOM 0 H ASP A 108 10.960 4.404 -15.761 1.00 0.36 H new ATOM 0 HA ASP A 108 10.274 1.640 -15.181 1.00 0.38 H new ATOM 0 HB2 ASP A 108 12.920 3.079 -15.626 1.00 0.47 H new ATOM 0 HB3 ASP A 108 12.738 1.345 -15.455 1.00 0.47 H new ATOM 1878 N ASP A 109 11.177 3.612 -12.860 1.00 0.36 N ATOM 1879 CA ASP A 109 11.313 3.718 -11.415 1.00 0.37 C ATOM 1880 C ASP A 109 10.113 3.065 -10.739 1.00 0.34 C ATOM 1881 O ASP A 109 10.251 2.360 -9.739 1.00 0.36 O ATOM 1882 CB ASP A 109 11.394 5.189 -11.011 1.00 0.39 C ATOM 1883 CG ASP A 109 11.898 5.382 -9.594 1.00 0.88 C ATOM 1884 OD1 ASP A 109 13.131 5.480 -9.407 1.00 0.94 O ATOM 1885 OD2 ASP A 109 11.072 5.450 -8.664 1.00 1.73 O ATOM 0 H ASP A 109 11.021 4.502 -13.333 1.00 0.36 H new ATOM 0 HA ASP A 109 12.225 3.210 -11.101 1.00 0.37 H new ATOM 0 HB2 ASP A 109 12.054 5.715 -11.701 1.00 0.39 H new ATOM 0 HB3 ASP A 109 10.407 5.642 -11.106 1.00 0.39 H new ATOM 1890 N LEU A 110 8.931 3.299 -11.313 1.00 0.30 N ATOM 1891 CA LEU A 110 7.689 2.740 -10.778 1.00 0.30 C ATOM 1892 C LEU A 110 7.691 1.219 -10.870 1.00 0.29 C ATOM 1893 O LEU A 110 7.082 0.543 -10.039 1.00 0.33 O ATOM 1894 CB LEU A 110 6.455 3.293 -11.505 1.00 0.30 C ATOM 1895 CG LEU A 110 6.239 4.812 -11.432 1.00 0.38 C ATOM 1896 CD1 LEU A 110 6.956 5.419 -10.242 1.00 0.82 C ATOM 1897 CD2 LEU A 110 6.674 5.478 -12.723 1.00 0.82 C ATOM 0 H LEU A 110 8.808 3.872 -12.148 1.00 0.30 H new ATOM 0 HA LEU A 110 7.635 3.038 -9.731 1.00 0.30 H new ATOM 0 HB2 LEU A 110 6.522 3.008 -12.555 1.00 0.30 H new ATOM 0 HB3 LEU A 110 5.571 2.803 -11.097 1.00 0.30 H new ATOM 0 HG LEU A 110 5.172 4.989 -11.297 1.00 0.38 H new ATOM 0 HD11 LEU A 110 6.781 6.495 -10.222 1.00 0.82 H new ATOM 0 HD12 LEU A 110 6.577 4.973 -9.323 1.00 0.82 H new ATOM 0 HD13 LEU A 110 8.026 5.227 -10.325 1.00 0.82 H new ATOM 0 HD21 LEU A 110 6.512 6.553 -12.650 1.00 0.82 H new ATOM 0 HD22 LEU A 110 7.732 5.281 -12.896 1.00 0.82 H new ATOM 0 HD23 LEU A 110 6.091 5.079 -13.553 1.00 0.82 H new ATOM 1909 N LYS A 111 8.368 0.682 -11.881 1.00 0.28 N ATOM 1910 CA LYS A 111 8.501 -0.762 -12.013 1.00 0.31 C ATOM 1911 C LYS A 111 9.193 -1.324 -10.785 1.00 0.33 C ATOM 1912 O LYS A 111 8.747 -2.307 -10.199 1.00 0.35 O ATOM 1913 CB LYS A 111 9.301 -1.139 -13.261 1.00 0.37 C ATOM 1914 CG LYS A 111 8.608 -0.803 -14.568 1.00 0.93 C ATOM 1915 CD LYS A 111 9.369 -1.390 -15.745 1.00 0.92 C ATOM 1916 CE LYS A 111 8.707 -1.055 -17.069 1.00 1.02 C ATOM 1917 NZ LYS A 111 8.793 0.392 -17.386 1.00 1.74 N ATOM 0 H LYS A 111 8.829 1.221 -12.614 1.00 0.28 H new ATOM 0 HA LYS A 111 7.501 -1.184 -12.108 1.00 0.31 H new ATOM 0 HB2 LYS A 111 10.263 -0.627 -13.231 1.00 0.37 H new ATOM 0 HB3 LYS A 111 9.508 -2.209 -13.237 1.00 0.37 H new ATOM 0 HG2 LYS A 111 7.590 -1.192 -14.556 1.00 0.93 H new ATOM 0 HG3 LYS A 111 8.535 0.279 -14.679 1.00 0.93 H new ATOM 0 HD2 LYS A 111 10.391 -1.010 -15.743 1.00 0.92 H new ATOM 0 HD3 LYS A 111 9.432 -2.472 -15.634 1.00 0.92 H new ATOM 0 HE2 LYS A 111 9.180 -1.629 -17.866 1.00 1.02 H new ATOM 0 HE3 LYS A 111 7.660 -1.357 -17.037 1.00 1.02 H new ATOM 0 HZ1 LYS A 111 8.632 0.535 -18.403 1.00 1.74 H new ATOM 0 HZ2 LYS A 111 8.071 0.909 -16.845 1.00 1.74 H new ATOM 0 HZ3 LYS A 111 9.737 0.748 -17.132 1.00 1.74 H new ATOM 1931 N ALA A 112 10.280 -0.663 -10.399 1.00 0.36 N ATOM 1932 CA ALA A 112 11.044 -1.035 -9.218 1.00 0.42 C ATOM 1933 C ALA A 112 10.166 -1.010 -7.976 1.00 0.43 C ATOM 1934 O ALA A 112 10.277 -1.879 -7.108 1.00 0.47 O ATOM 1935 CB ALA A 112 12.224 -0.091 -9.047 1.00 0.46 C ATOM 0 H ALA A 112 10.654 0.145 -10.897 1.00 0.36 H new ATOM 0 HA ALA A 112 11.415 -2.051 -9.351 1.00 0.42 H new ATOM 0 HB1 ALA A 112 12.792 -0.375 -8.161 1.00 0.46 H new ATOM 0 HB2 ALA A 112 12.868 -0.150 -9.925 1.00 0.46 H new ATOM 0 HB3 ALA A 112 11.860 0.930 -8.932 1.00 0.46 H new ATOM 1941 N SER A 113 9.313 0.004 -7.887 1.00 0.41 N ATOM 1942 CA SER A 113 8.378 0.135 -6.779 1.00 0.45 C ATOM 1943 C SER A 113 7.546 -1.130 -6.598 1.00 0.40 C ATOM 1944 O SER A 113 7.625 -1.785 -5.558 1.00 0.44 O ATOM 1945 CB SER A 113 7.457 1.337 -7.000 1.00 0.54 C ATOM 1946 OG SER A 113 6.586 1.542 -5.901 1.00 1.34 O ATOM 0 H SER A 113 9.251 0.753 -8.576 1.00 0.41 H new ATOM 0 HA SER A 113 8.961 0.290 -5.871 1.00 0.45 H new ATOM 0 HB2 SER A 113 8.059 2.232 -7.158 1.00 0.54 H new ATOM 0 HB3 SER A 113 6.870 1.183 -7.905 1.00 0.54 H new ATOM 0 HG SER A 113 5.816 2.075 -6.189 1.00 1.34 H new ATOM 1952 N VAL A 114 6.781 -1.506 -7.616 1.00 0.36 N ATOM 1953 CA VAL A 114 5.845 -2.607 -7.479 1.00 0.36 C ATOM 1954 C VAL A 114 6.574 -3.946 -7.515 1.00 0.35 C ATOM 1955 O VAL A 114 6.078 -4.952 -7.008 1.00 0.37 O ATOM 1956 CB VAL A 114 4.774 -2.574 -8.588 1.00 0.36 C ATOM 1957 CG1 VAL A 114 4.081 -1.224 -8.610 1.00 0.65 C ATOM 1958 CG2 VAL A 114 5.374 -2.878 -9.945 1.00 0.56 C ATOM 0 H VAL A 114 6.792 -1.067 -8.537 1.00 0.36 H new ATOM 0 HA VAL A 114 5.351 -2.494 -6.514 1.00 0.36 H new ATOM 0 HB VAL A 114 4.039 -3.348 -8.366 1.00 0.36 H new ATOM 0 HG11 VAL A 114 3.327 -1.215 -9.398 1.00 0.65 H new ATOM 0 HG12 VAL A 114 3.602 -1.045 -7.647 1.00 0.65 H new ATOM 0 HG13 VAL A 114 4.815 -0.441 -8.801 1.00 0.65 H new ATOM 0 HG21 VAL A 114 4.592 -2.847 -10.704 1.00 0.56 H new ATOM 0 HG22 VAL A 114 6.137 -2.136 -10.180 1.00 0.56 H new ATOM 0 HG23 VAL A 114 5.825 -3.870 -9.929 1.00 0.56 H new ATOM 1962 N LYS A 115 7.752 -3.949 -8.133 1.00 0.35 N ATOM 1963 CA LYS A 115 8.578 -5.131 -8.227 1.00 0.37 C ATOM 1964 C LYS A 115 8.850 -5.708 -6.850 1.00 0.35 C ATOM 1965 O LYS A 115 8.727 -6.913 -6.633 1.00 0.37 O ATOM 1966 CB LYS A 115 9.892 -4.771 -8.917 1.00 0.48 C ATOM 1967 CG LYS A 115 10.837 -5.938 -9.097 1.00 0.84 C ATOM 1968 CD LYS A 115 12.074 -5.537 -9.887 1.00 0.81 C ATOM 1969 CE LYS A 115 11.739 -5.215 -11.337 1.00 1.16 C ATOM 1970 NZ LYS A 115 11.268 -6.415 -12.084 1.00 1.72 N ATOM 0 H LYS A 115 8.154 -3.126 -8.581 1.00 0.35 H new ATOM 0 HA LYS A 115 8.053 -5.887 -8.811 1.00 0.37 H new ATOM 0 HB2 LYS A 115 9.671 -4.343 -9.895 1.00 0.48 H new ATOM 0 HB3 LYS A 115 10.394 -3.997 -8.336 1.00 0.48 H new ATOM 0 HG2 LYS A 115 11.135 -6.320 -8.121 1.00 0.84 H new ATOM 0 HG3 LYS A 115 10.322 -6.749 -9.612 1.00 0.84 H new ATOM 0 HD2 LYS A 115 12.538 -4.668 -9.420 1.00 0.81 H new ATOM 0 HD3 LYS A 115 12.805 -6.345 -9.854 1.00 0.81 H new ATOM 0 HE2 LYS A 115 10.969 -4.444 -11.368 1.00 1.16 H new ATOM 0 HE3 LYS A 115 12.621 -4.805 -11.830 1.00 1.16 H new ATOM 0 HZ1 LYS A 115 11.924 -6.617 -12.865 1.00 1.72 H new ATOM 0 HZ2 LYS A 115 11.233 -7.232 -11.442 1.00 1.72 H new ATOM 0 HZ3 LYS A 115 10.318 -6.235 -12.467 1.00 1.72 H new ATOM 1984 N GLU A 116 9.199 -4.841 -5.911 1.00 0.36 N ATOM 1985 CA GLU A 116 9.520 -5.299 -4.578 1.00 0.38 C ATOM 1986 C GLU A 116 8.261 -5.683 -3.812 1.00 0.37 C ATOM 1987 O GLU A 116 8.296 -6.608 -3.011 1.00 0.38 O ATOM 1988 CB GLU A 116 10.337 -4.269 -3.800 1.00 0.43 C ATOM 1989 CG GLU A 116 11.663 -3.926 -4.449 1.00 0.80 C ATOM 1990 CD GLU A 116 12.596 -3.198 -3.506 1.00 1.30 C ATOM 1991 OE1 GLU A 116 13.370 -3.864 -2.788 1.00 1.32 O ATOM 1992 OE2 GLU A 116 12.557 -1.948 -3.480 1.00 2.27 O ATOM 0 H GLU A 116 9.265 -3.833 -6.049 1.00 0.36 H new ATOM 0 HA GLU A 116 10.139 -6.189 -4.687 1.00 0.38 H new ATOM 0 HB2 GLU A 116 9.749 -3.358 -3.693 1.00 0.43 H new ATOM 0 HB3 GLU A 116 10.522 -4.649 -2.795 1.00 0.43 H new ATOM 0 HG2 GLU A 116 12.143 -4.842 -4.795 1.00 0.80 H new ATOM 0 HG3 GLU A 116 11.485 -3.307 -5.329 1.00 0.80 H new ATOM 1999 N VAL A 117 7.142 -5.023 -4.071 1.00 0.36 N ATOM 2000 CA VAL A 117 5.906 -5.407 -3.399 1.00 0.38 C ATOM 2001 C VAL A 117 5.490 -6.816 -3.836 1.00 0.38 C ATOM 2002 O VAL A 117 4.939 -7.576 -3.050 1.00 0.43 O ATOM 2003 CB VAL A 117 4.740 -4.407 -3.635 1.00 0.43 C ATOM 2004 CG1 VAL A 117 5.246 -2.975 -3.689 1.00 0.81 C ATOM 2005 CG2 VAL A 117 3.936 -4.753 -4.874 1.00 0.78 C ATOM 0 H VAL A 117 7.061 -4.241 -4.721 1.00 0.36 H new ATOM 0 HA VAL A 117 6.114 -5.392 -2.329 1.00 0.38 H new ATOM 0 HB VAL A 117 4.067 -4.493 -2.782 1.00 0.43 H new ATOM 0 HG11 VAL A 117 4.407 -2.299 -3.855 1.00 0.81 H new ATOM 0 HG12 VAL A 117 5.732 -2.725 -2.746 1.00 0.81 H new ATOM 0 HG13 VAL A 117 5.962 -2.873 -4.505 1.00 0.81 H new ATOM 0 HG21 VAL A 117 3.132 -4.028 -5.000 1.00 0.78 H new ATOM 0 HG22 VAL A 117 4.587 -4.729 -5.748 1.00 0.78 H new ATOM 0 HG23 VAL A 117 3.511 -5.751 -4.765 1.00 0.78 H new ATOM 2009 N LEU A 118 5.788 -7.175 -5.082 1.00 0.36 N ATOM 2010 CA LEU A 118 5.532 -8.530 -5.560 1.00 0.36 C ATOM 2011 C LEU A 118 6.572 -9.484 -4.992 1.00 0.36 C ATOM 2012 O LEU A 118 6.256 -10.620 -4.650 1.00 0.38 O ATOM 2013 CB LEU A 118 5.565 -8.596 -7.094 1.00 0.41 C ATOM 2014 CG LEU A 118 4.393 -7.936 -7.833 1.00 0.49 C ATOM 2015 CD1 LEU A 118 4.667 -7.894 -9.321 1.00 1.21 C ATOM 2016 CD2 LEU A 118 3.097 -8.687 -7.589 1.00 0.88 C ATOM 0 H LEU A 118 6.204 -6.552 -5.774 1.00 0.36 H new ATOM 0 HA LEU A 118 4.537 -8.822 -5.223 1.00 0.36 H new ATOM 0 HB2 LEU A 118 6.489 -8.130 -7.436 1.00 0.41 H new ATOM 0 HB3 LEU A 118 5.608 -9.644 -7.390 1.00 0.41 H new ATOM 0 HG LEU A 118 4.290 -6.922 -7.448 1.00 0.49 H new ATOM 0 HD11 LEU A 118 3.827 -7.423 -9.832 1.00 1.21 H new ATOM 0 HD12 LEU A 118 5.574 -7.319 -9.508 1.00 1.21 H new ATOM 0 HD13 LEU A 118 4.797 -8.909 -9.696 1.00 1.21 H new ATOM 0 HD21 LEU A 118 2.285 -8.196 -8.125 1.00 0.88 H new ATOM 0 HD22 LEU A 118 3.198 -9.712 -7.944 1.00 0.88 H new ATOM 0 HD23 LEU A 118 2.875 -8.693 -6.522 1.00 0.88 H new ATOM 2028 N LYS A 119 7.805 -9.001 -4.870 1.00 0.36 N ATOM 2029 CA LYS A 119 8.894 -9.793 -4.330 1.00 0.37 C ATOM 2030 C LYS A 119 8.558 -10.215 -2.910 1.00 0.36 C ATOM 2031 O LYS A 119 8.867 -11.329 -2.479 1.00 0.38 O ATOM 2032 CB LYS A 119 10.187 -8.973 -4.364 1.00 0.39 C ATOM 2033 CG LYS A 119 11.335 -9.603 -3.600 1.00 0.43 C ATOM 2034 CD LYS A 119 12.603 -8.760 -3.666 1.00 0.67 C ATOM 2035 CE LYS A 119 12.415 -7.385 -3.038 1.00 0.57 C ATOM 2036 NZ LYS A 119 13.685 -6.610 -3.006 1.00 0.95 N ATOM 0 H LYS A 119 8.072 -8.055 -5.142 1.00 0.36 H new ATOM 0 HA LYS A 119 9.036 -10.690 -4.933 1.00 0.37 H new ATOM 0 HB2 LYS A 119 10.489 -8.832 -5.402 1.00 0.39 H new ATOM 0 HB3 LYS A 119 9.989 -7.984 -3.952 1.00 0.39 H new ATOM 0 HG2 LYS A 119 11.045 -9.738 -2.558 1.00 0.43 H new ATOM 0 HG3 LYS A 119 11.538 -10.594 -4.006 1.00 0.43 H new ATOM 0 HD2 LYS A 119 13.412 -9.283 -3.155 1.00 0.67 H new ATOM 0 HD3 LYS A 119 12.906 -8.644 -4.707 1.00 0.67 H new ATOM 0 HE2 LYS A 119 11.665 -6.829 -3.600 1.00 0.57 H new ATOM 0 HE3 LYS A 119 12.034 -7.499 -2.023 1.00 0.57 H new ATOM 0 HZ1 LYS A 119 13.490 -5.636 -2.698 1.00 0.95 H new ATOM 0 HZ2 LYS A 119 14.348 -7.057 -2.341 1.00 0.95 H new ATOM 0 HZ3 LYS A 119 14.106 -6.595 -3.957 1.00 0.95 H new ATOM 2050 N LEU A 120 7.930 -9.306 -2.189 1.00 0.36 N ATOM 2051 CA LEU A 120 7.444 -9.589 -0.865 1.00 0.37 C ATOM 2052 C LEU A 120 6.137 -10.374 -0.890 1.00 0.36 C ATOM 2053 O LEU A 120 5.982 -11.333 -0.133 1.00 0.38 O ATOM 2054 CB LEU A 120 7.254 -8.293 -0.087 1.00 0.39 C ATOM 2055 CG LEU A 120 8.522 -7.733 0.545 1.00 0.42 C ATOM 2056 CD1 LEU A 120 9.532 -7.297 -0.497 1.00 1.06 C ATOM 2057 CD2 LEU A 120 8.181 -6.589 1.478 1.00 0.99 C ATOM 0 H LEU A 120 7.746 -8.355 -2.509 1.00 0.36 H new ATOM 0 HA LEU A 120 8.192 -10.208 -0.370 1.00 0.37 H new ATOM 0 HB2 LEU A 120 6.837 -7.541 -0.757 1.00 0.39 H new ATOM 0 HB3 LEU A 120 6.518 -8.463 0.699 1.00 0.39 H new ATOM 0 HG LEU A 120 8.985 -8.533 1.122 1.00 0.42 H new ATOM 0 HD11 LEU A 120 10.420 -6.905 -0.001 1.00 1.06 H new ATOM 0 HD12 LEU A 120 9.809 -8.151 -1.115 1.00 1.06 H new ATOM 0 HD13 LEU A 120 9.095 -6.521 -1.125 1.00 1.06 H new ATOM 0 HD21 LEU A 120 9.096 -6.198 1.923 1.00 0.99 H new ATOM 0 HD22 LEU A 120 7.683 -5.798 0.917 1.00 0.99 H new ATOM 0 HD23 LEU A 120 7.518 -6.947 2.266 1.00 0.99 H new ATOM 2069 N TYR A 121 5.191 -9.982 -1.747 1.00 0.35 N ATOM 2070 CA TYR A 121 3.855 -10.556 -1.652 1.00 0.36 C ATOM 2071 C TYR A 121 3.823 -12.003 -2.147 1.00 0.38 C ATOM 2072 O TYR A 121 3.061 -12.824 -1.629 1.00 0.41 O ATOM 2073 CB TYR A 121 2.801 -9.675 -2.342 1.00 0.37 C ATOM 2074 CG TYR A 121 1.509 -10.391 -2.690 1.00 0.56 C ATOM 2075 CD1 TYR A 121 0.484 -10.500 -1.756 1.00 0.84 C ATOM 2076 CD2 TYR A 121 1.314 -10.951 -3.945 1.00 0.74 C ATOM 2077 CE1 TYR A 121 -0.697 -11.144 -2.065 1.00 1.13 C ATOM 2078 CE2 TYR A 121 0.133 -11.595 -4.262 1.00 1.05 C ATOM 2079 CZ TYR A 121 -0.847 -11.719 -3.337 1.00 1.23 C ATOM 2080 OH TYR A 121 -2.048 -12.325 -3.631 1.00 1.54 O ATOM 0 H TYR A 121 5.321 -9.294 -2.489 1.00 0.35 H new ATOM 0 HA TYR A 121 3.590 -10.583 -0.595 1.00 0.36 H new ATOM 0 HB2 TYR A 121 2.570 -8.831 -1.692 1.00 0.37 H new ATOM 0 HB3 TYR A 121 3.231 -9.265 -3.256 1.00 0.37 H new ATOM 0 HD1 TYR A 121 0.614 -10.073 -0.772 1.00 0.84 H new ATOM 0 HD2 TYR A 121 2.097 -10.882 -4.685 1.00 0.74 H new ATOM 0 HE1 TYR A 121 -1.494 -11.205 -1.339 1.00 1.13 H new ATOM 0 HE2 TYR A 121 -0.008 -12.001 -5.253 1.00 1.05 H new ATOM 0 HH TYR A 121 -2.020 -12.681 -4.544 1.00 1.54 H new ATOM 2090 N LYS A 122 4.657 -12.324 -3.127 1.00 0.40 N ATOM 2091 CA LYS A 122 4.747 -13.694 -3.625 1.00 0.45 C ATOM 2092 C LYS A 122 5.324 -14.618 -2.556 1.00 0.43 C ATOM 2093 O LYS A 122 4.964 -15.792 -2.469 1.00 0.46 O ATOM 2094 CB LYS A 122 5.629 -13.763 -4.876 1.00 0.52 C ATOM 2095 CG LYS A 122 5.055 -13.059 -6.099 1.00 0.60 C ATOM 2096 CD LYS A 122 3.716 -13.644 -6.514 1.00 1.21 C ATOM 2097 CE LYS A 122 3.361 -13.252 -7.939 1.00 1.27 C ATOM 2098 NZ LYS A 122 4.262 -13.899 -8.930 1.00 1.98 N ATOM 0 H LYS A 122 5.278 -11.661 -3.592 1.00 0.40 H new ATOM 0 HA LYS A 122 3.738 -14.019 -3.879 1.00 0.45 H new ATOM 0 HB2 LYS A 122 6.600 -13.325 -4.644 1.00 0.52 H new ATOM 0 HB3 LYS A 122 5.802 -14.810 -5.124 1.00 0.52 H new ATOM 0 HG2 LYS A 122 4.936 -11.997 -5.884 1.00 0.60 H new ATOM 0 HG3 LYS A 122 5.759 -13.139 -6.928 1.00 0.60 H new ATOM 0 HD2 LYS A 122 3.750 -14.730 -6.431 1.00 1.21 H new ATOM 0 HD3 LYS A 122 2.938 -13.296 -5.834 1.00 1.21 H new ATOM 0 HE2 LYS A 122 2.329 -13.534 -8.147 1.00 1.27 H new ATOM 0 HE3 LYS A 122 3.423 -12.169 -8.044 1.00 1.27 H new ATOM 0 HZ1 LYS A 122 3.808 -13.895 -9.866 1.00 1.98 H new ATOM 0 HZ2 LYS A 122 5.159 -13.375 -8.978 1.00 1.98 H new ATOM 0 HZ3 LYS A 122 4.450 -14.880 -8.640 1.00 1.98 H new ATOM 2112 N ALA A 123 6.216 -14.071 -1.738 1.00 0.42 N ATOM 2113 CA ALA A 123 6.944 -14.857 -0.753 1.00 0.43 C ATOM 2114 C ALA A 123 6.149 -15.079 0.530 1.00 0.43 C ATOM 2115 O ALA A 123 6.562 -15.866 1.383 1.00 0.70 O ATOM 2116 CB ALA A 123 8.269 -14.183 -0.435 1.00 0.49 C ATOM 0 H ALA A 123 6.452 -13.079 -1.739 1.00 0.42 H new ATOM 0 HA ALA A 123 7.120 -15.840 -1.191 1.00 0.43 H new ATOM 0 HB1 ALA A 123 8.810 -14.775 0.303 1.00 0.49 H new ATOM 0 HB2 ALA A 123 8.864 -14.104 -1.345 1.00 0.49 H new ATOM 0 HB3 ALA A 123 8.083 -13.186 -0.035 1.00 0.49 H new ATOM 2122 N MET A 124 5.021 -14.397 0.680 1.00 0.44 N ATOM 2123 CA MET A 124 4.234 -14.535 1.900 1.00 0.42 C ATOM 2124 C MET A 124 3.487 -15.863 1.909 1.00 0.42 C ATOM 2125 O MET A 124 3.207 -16.430 0.852 1.00 0.42 O ATOM 2126 CB MET A 124 3.234 -13.386 2.054 1.00 0.41 C ATOM 2127 CG MET A 124 3.875 -12.047 2.368 1.00 0.45 C ATOM 2128 SD MET A 124 2.682 -10.825 2.951 1.00 0.50 S ATOM 2129 CE MET A 124 1.535 -10.770 1.580 1.00 0.46 C ATOM 0 H MET A 124 4.635 -13.755 -0.012 1.00 0.44 H new ATOM 0 HA MET A 124 4.928 -14.505 2.740 1.00 0.42 H new ATOM 0 HB2 MET A 124 2.657 -13.294 1.134 1.00 0.41 H new ATOM 0 HB3 MET A 124 2.530 -13.635 2.848 1.00 0.41 H new ATOM 0 HG2 MET A 124 4.646 -12.186 3.126 1.00 0.45 H new ATOM 0 HG3 MET A 124 4.371 -11.668 1.475 1.00 0.45 H new ATOM 0 HE1 MET A 124 1.407 -9.738 1.254 1.00 0.46 H new ATOM 0 HE2 MET A 124 1.925 -11.366 0.755 1.00 0.46 H new ATOM 0 HE3 MET A 124 0.572 -11.173 1.895 1.00 0.46 H new ATOM 2139 N SER A 125 3.170 -16.358 3.094 1.00 0.47 N ATOM 2140 CA SER A 125 2.362 -17.561 3.221 1.00 0.54 C ATOM 2141 C SER A 125 0.961 -17.314 2.664 1.00 0.58 C ATOM 2142 O SER A 125 0.441 -16.206 2.804 1.00 0.92 O ATOM 2143 CB SER A 125 2.280 -17.976 4.690 1.00 0.62 C ATOM 2144 OG SER A 125 3.557 -17.923 5.305 1.00 1.18 O ATOM 0 H SER A 125 3.459 -15.946 3.981 1.00 0.47 H new ATOM 0 HA SER A 125 2.827 -18.365 2.650 1.00 0.54 H new ATOM 0 HB2 SER A 125 1.590 -17.319 5.219 1.00 0.62 H new ATOM 0 HB3 SER A 125 1.878 -18.987 4.764 1.00 0.62 H new ATOM 0 HG SER A 125 3.540 -17.273 6.039 1.00 1.18 H new ATOM 2150 N ASP A 126 0.359 -18.315 2.022 1.00 0.44 N ATOM 2151 CA ASP A 126 -0.928 -18.128 1.333 1.00 0.43 C ATOM 2152 C ASP A 126 -1.980 -17.486 2.234 1.00 0.39 C ATOM 2153 O ASP A 126 -2.650 -16.532 1.830 1.00 0.38 O ATOM 2154 CB ASP A 126 -1.452 -19.453 0.773 1.00 0.47 C ATOM 2155 CG ASP A 126 -0.879 -19.770 -0.595 1.00 1.37 C ATOM 2156 OD1 ASP A 126 0.263 -20.269 -0.668 1.00 2.21 O ATOM 2157 OD2 ASP A 126 -1.565 -19.518 -1.610 1.00 1.81 O ATOM 0 H ASP A 126 0.736 -19.261 1.962 1.00 0.44 H new ATOM 0 HA ASP A 126 -0.740 -17.444 0.505 1.00 0.43 H new ATOM 0 HB2 ASP A 126 -1.204 -20.259 1.463 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -2.539 -19.412 0.708 1.00 0.47 H new ATOM 2162 N ALA A 127 -2.094 -17.980 3.462 1.00 0.38 N ATOM 2163 CA ALA A 127 -3.071 -17.458 4.414 1.00 0.37 C ATOM 2164 C ALA A 127 -2.815 -15.983 4.708 1.00 0.33 C ATOM 2165 O ALA A 127 -3.747 -15.213 4.932 1.00 0.34 O ATOM 2166 CB ALA A 127 -3.037 -18.265 5.702 1.00 0.42 C ATOM 0 H ALA A 127 -1.521 -18.743 3.823 1.00 0.38 H new ATOM 0 HA ALA A 127 -4.061 -17.549 3.967 1.00 0.37 H new ATOM 0 HB1 ALA A 127 -3.770 -17.864 6.402 1.00 0.42 H new ATOM 0 HB2 ALA A 127 -3.274 -19.307 5.485 1.00 0.42 H new ATOM 0 HB3 ALA A 127 -2.042 -18.203 6.144 1.00 0.42 H new ATOM 2172 N GLY A 128 -1.543 -15.600 4.694 1.00 0.31 N ATOM 2173 CA GLY A 128 -1.174 -14.216 4.927 1.00 0.31 C ATOM 2174 C GLY A 128 -1.473 -13.351 3.722 1.00 0.29 C ATOM 2175 O GLY A 128 -1.869 -12.193 3.858 1.00 0.30 O ATOM 0 H GLY A 128 -0.757 -16.227 4.524 1.00 0.31 H new ATOM 0 HA2 GLY A 128 -1.716 -13.835 5.793 1.00 0.31 H new ATOM 0 HA3 GLY A 128 -0.112 -14.157 5.164 1.00 0.31 H new ATOM 2179 N LYS A 129 -1.300 -13.925 2.536 1.00 0.32 N ATOM 2180 CA LYS A 129 -1.610 -13.234 1.292 1.00 0.39 C ATOM 2181 C LYS A 129 -3.106 -12.957 1.220 1.00 0.35 C ATOM 2182 O LYS A 129 -3.535 -11.865 0.848 1.00 0.36 O ATOM 2183 CB LYS A 129 -1.179 -14.081 0.088 1.00 0.56 C ATOM 2184 CG LYS A 129 0.309 -14.398 0.063 1.00 0.58 C ATOM 2185 CD LYS A 129 0.661 -15.405 -1.025 1.00 0.59 C ATOM 2186 CE LYS A 129 0.505 -14.823 -2.421 1.00 0.94 C ATOM 2187 NZ LYS A 129 0.821 -15.824 -3.477 1.00 1.32 N ATOM 0 H LYS A 129 -0.944 -14.873 2.411 1.00 0.32 H new ATOM 0 HA LYS A 129 -1.065 -12.291 1.267 1.00 0.39 H new ATOM 0 HB2 LYS A 129 -1.740 -15.015 0.093 1.00 0.56 H new ATOM 0 HB3 LYS A 129 -1.445 -13.555 -0.829 1.00 0.56 H new ATOM 0 HG2 LYS A 129 0.873 -13.479 -0.098 1.00 0.58 H new ATOM 0 HG3 LYS A 129 0.612 -14.792 1.033 1.00 0.58 H new ATOM 0 HD2 LYS A 129 1.688 -15.742 -0.887 1.00 0.59 H new ATOM 0 HD3 LYS A 129 0.022 -16.282 -0.926 1.00 0.59 H new ATOM 0 HE2 LYS A 129 -0.516 -14.465 -2.553 1.00 0.94 H new ATOM 0 HE3 LYS A 129 1.162 -13.960 -2.530 1.00 0.94 H new ATOM 0 HZ1 LYS A 129 0.703 -15.389 -4.414 1.00 1.32 H new ATOM 0 HZ2 LYS A 129 1.803 -16.147 -3.366 1.00 1.32 H new ATOM 0 HZ3 LYS A 129 0.178 -16.636 -3.389 1.00 1.32 H new ATOM 2201 N ALA A 130 -3.891 -13.956 1.599 1.00 0.35 N ATOM 2202 CA ALA A 130 -5.340 -13.845 1.593 1.00 0.37 C ATOM 2203 C ALA A 130 -5.832 -12.906 2.688 1.00 0.33 C ATOM 2204 O ALA A 130 -6.864 -12.250 2.535 1.00 0.38 O ATOM 2205 CB ALA A 130 -5.972 -15.219 1.750 1.00 0.42 C ATOM 0 H ALA A 130 -3.543 -14.860 1.917 1.00 0.35 H new ATOM 0 HA ALA A 130 -5.640 -13.422 0.634 1.00 0.37 H new ATOM 0 HB1 ALA A 130 -7.058 -15.123 1.744 1.00 0.42 H new ATOM 0 HB2 ALA A 130 -5.660 -15.859 0.925 1.00 0.42 H new ATOM 0 HB3 ALA A 130 -5.652 -15.661 2.694 1.00 0.42 H new ATOM 2211 N ASP A 131 -5.089 -12.829 3.787 1.00 0.29 N ATOM 2212 CA ASP A 131 -5.496 -11.997 4.917 1.00 0.29 C ATOM 2213 C ASP A 131 -5.251 -10.530 4.592 1.00 0.27 C ATOM 2214 O ASP A 131 -5.988 -9.649 5.036 1.00 0.30 O ATOM 2215 CB ASP A 131 -4.750 -12.421 6.185 1.00 0.30 C ATOM 2216 CG ASP A 131 -5.363 -11.867 7.452 1.00 0.40 C ATOM 2217 OD1 ASP A 131 -6.548 -12.155 7.727 1.00 0.55 O ATOM 2218 OD2 ASP A 131 -4.676 -11.095 8.156 1.00 0.45 O ATOM 0 H ASP A 131 -4.209 -13.327 3.921 1.00 0.29 H new ATOM 0 HA ASP A 131 -6.562 -12.132 5.100 1.00 0.29 H new ATOM 0 HB2 ASP A 131 -4.735 -13.509 6.243 1.00 0.30 H new ATOM 0 HB3 ASP A 131 -3.714 -12.091 6.116 1.00 0.30 H new ATOM 2223 N PHE A 132 -4.232 -10.279 3.776 1.00 0.24 N ATOM 2224 CA PHE A 132 -3.976 -8.945 3.246 1.00 0.22 C ATOM 2225 C PHE A 132 -5.157 -8.480 2.399 1.00 0.23 C ATOM 2226 O PHE A 132 -5.433 -7.284 2.302 1.00 0.25 O ATOM 2227 CB PHE A 132 -2.687 -8.942 2.412 1.00 0.23 C ATOM 2228 CG PHE A 132 -2.351 -7.604 1.811 1.00 0.24 C ATOM 2229 CD1 PHE A 132 -1.765 -6.610 2.579 1.00 0.33 C ATOM 2230 CD2 PHE A 132 -2.618 -7.343 0.477 1.00 0.26 C ATOM 2231 CE1 PHE A 132 -1.452 -5.383 2.028 1.00 0.39 C ATOM 2232 CE2 PHE A 132 -2.308 -6.117 -0.081 1.00 0.30 C ATOM 2233 CZ PHE A 132 -1.737 -5.129 0.706 1.00 0.36 C ATOM 0 H PHE A 132 -3.567 -10.987 3.466 1.00 0.24 H new ATOM 0 HA PHE A 132 -3.851 -8.255 4.080 1.00 0.22 H new ATOM 0 HB2 PHE A 132 -1.858 -9.265 3.042 1.00 0.23 H new ATOM 0 HB3 PHE A 132 -2.783 -9.675 1.611 1.00 0.23 H new ATOM 0 HD1 PHE A 132 -1.551 -6.797 3.621 1.00 0.33 H new ATOM 0 HD2 PHE A 132 -3.074 -8.107 -0.135 1.00 0.26 H new ATOM 0 HE1 PHE A 132 -0.983 -4.622 2.635 1.00 0.39 H new ATOM 0 HE2 PHE A 132 -2.510 -5.930 -1.125 1.00 0.30 H new ATOM 0 HZ PHE A 132 -1.516 -4.161 0.282 1.00 0.36 H new ATOM 2243 N GLY A 133 -5.878 -9.435 1.827 1.00 0.22 N ATOM 2244 CA GLY A 133 -7.016 -9.110 0.992 1.00 0.24 C ATOM 2245 C GLY A 133 -8.234 -8.684 1.788 1.00 0.23 C ATOM 2246 O GLY A 133 -9.258 -8.324 1.213 1.00 0.27 O ATOM 0 H GLY A 133 -5.693 -10.433 1.927 1.00 0.22 H new ATOM 0 HA2 GLY A 133 -6.739 -8.309 0.306 1.00 0.24 H new ATOM 0 HA3 GLY A 133 -7.272 -9.977 0.383 1.00 0.24 H new ATOM 2250 N LYS A 134 -8.135 -8.727 3.109 1.00 0.27 N ATOM 2251 CA LYS A 134 -9.244 -8.319 3.959 1.00 0.29 C ATOM 2252 C LYS A 134 -9.055 -6.876 4.400 1.00 0.30 C ATOM 2253 O LYS A 134 -10.004 -6.093 4.463 1.00 0.39 O ATOM 2254 CB LYS A 134 -9.332 -9.228 5.184 1.00 0.34 C ATOM 2255 CG LYS A 134 -9.290 -10.708 4.851 1.00 0.63 C ATOM 2256 CD LYS A 134 -10.416 -11.101 3.916 1.00 1.29 C ATOM 2257 CE LYS A 134 -10.288 -12.551 3.495 1.00 1.61 C ATOM 2258 NZ LYS A 134 -10.506 -13.486 4.629 1.00 2.43 N ATOM 0 H LYS A 134 -7.304 -9.038 3.613 1.00 0.27 H new ATOM 0 HA LYS A 134 -10.171 -8.401 3.391 1.00 0.29 H new ATOM 0 HB2 LYS A 134 -8.509 -8.993 5.859 1.00 0.34 H new ATOM 0 HB3 LYS A 134 -10.256 -9.012 5.720 1.00 0.34 H new ATOM 0 HG2 LYS A 134 -8.332 -10.951 4.391 1.00 0.63 H new ATOM 0 HG3 LYS A 134 -9.359 -11.290 5.770 1.00 0.63 H new ATOM 0 HD2 LYS A 134 -11.375 -10.945 4.410 1.00 1.29 H new ATOM 0 HD3 LYS A 134 -10.403 -10.460 3.035 1.00 1.29 H new ATOM 0 HE2 LYS A 134 -11.010 -12.764 2.707 1.00 1.61 H new ATOM 0 HE3 LYS A 134 -9.297 -12.719 3.073 1.00 1.61 H new ATOM 0 HZ1 LYS A 134 -10.510 -14.464 4.276 1.00 2.43 H new ATOM 0 HZ2 LYS A 134 -9.742 -13.372 5.325 1.00 2.43 H new ATOM 0 HZ3 LYS A 134 -11.419 -13.277 5.080 1.00 2.43 H new ATOM 2272 N GLN A 135 -7.814 -6.547 4.707 1.00 0.30 N ATOM 2273 CA GLN A 135 -7.456 -5.215 5.174 1.00 0.31 C ATOM 2274 C GLN A 135 -7.186 -4.286 3.994 1.00 0.30 C ATOM 2275 O GLN A 135 -7.470 -3.092 4.064 1.00 0.36 O ATOM 2276 CB GLN A 135 -6.245 -5.287 6.115 1.00 0.33 C ATOM 2277 CG GLN A 135 -6.562 -5.830 7.508 1.00 0.51 C ATOM 2278 CD GLN A 135 -7.314 -7.148 7.535 1.00 0.71 C ATOM 2279 OE1 GLN A 135 -6.718 -8.219 7.506 1.00 1.83 O ATOM 2280 NE2 GLN A 135 -8.633 -7.076 7.631 1.00 0.75 N ATOM 0 H GLN A 135 -7.026 -7.191 4.641 1.00 0.30 H new ATOM 0 HA GLN A 135 -8.295 -4.804 5.735 1.00 0.31 H new ATOM 0 HB2 GLN A 135 -5.481 -5.916 5.658 1.00 0.33 H new ATOM 0 HB3 GLN A 135 -5.818 -4.289 6.215 1.00 0.33 H new ATOM 0 HG2 GLN A 135 -5.626 -5.953 8.053 1.00 0.51 H new ATOM 0 HG3 GLN A 135 -7.149 -5.085 8.046 1.00 0.51 H new ATOM 0 HE21 GLN A 135 -9.094 -6.166 7.652 1.00 0.75 H new ATOM 0 HE22 GLN A 135 -9.188 -7.930 7.684 1.00 0.75 H new ATOM 2289 N PHE A 136 -6.662 -4.837 2.901 1.00 0.26 N ATOM 2290 CA PHE A 136 -6.467 -4.068 1.673 1.00 0.26 C ATOM 2291 C PHE A 136 -6.906 -4.872 0.449 1.00 0.23 C ATOM 2292 O PHE A 136 -6.076 -5.337 -0.337 1.00 0.24 O ATOM 2293 CB PHE A 136 -5.008 -3.621 1.527 1.00 0.31 C ATOM 2294 CG PHE A 136 -4.632 -2.525 2.484 1.00 0.34 C ATOM 2295 CD1 PHE A 136 -5.212 -1.269 2.397 1.00 0.57 C ATOM 2296 CD2 PHE A 136 -3.684 -2.752 3.469 1.00 0.27 C ATOM 2297 CE1 PHE A 136 -4.852 -0.268 3.271 1.00 0.69 C ATOM 2298 CE2 PHE A 136 -3.318 -1.751 4.344 1.00 0.37 C ATOM 2299 CZ PHE A 136 -3.968 -0.496 4.255 1.00 0.58 C ATOM 0 H PHE A 136 -6.365 -5.811 2.840 1.00 0.26 H new ATOM 0 HA PHE A 136 -7.090 -3.176 1.739 1.00 0.26 H new ATOM 0 HB2 PHE A 136 -4.353 -4.477 1.688 1.00 0.31 H new ATOM 0 HB3 PHE A 136 -4.839 -3.278 0.506 1.00 0.31 H new ATOM 0 HD1 PHE A 136 -5.953 -1.074 1.636 1.00 0.57 H new ATOM 0 HD2 PHE A 136 -3.226 -3.726 3.552 1.00 0.27 H new ATOM 0 HE1 PHE A 136 -5.287 0.715 3.163 1.00 0.69 H new ATOM 0 HE2 PHE A 136 -2.550 -1.921 5.084 1.00 0.37 H new ATOM 0 HZ PHE A 136 -3.753 0.277 4.978 1.00 0.58 H new ATOM 2309 N PRO A 137 -8.231 -5.031 0.268 1.00 0.26 N ATOM 2310 CA PRO A 137 -8.805 -5.816 -0.830 1.00 0.30 C ATOM 2311 C PRO A 137 -8.435 -5.272 -2.207 1.00 0.29 C ATOM 2312 O PRO A 137 -8.206 -6.040 -3.141 1.00 0.30 O ATOM 2313 CB PRO A 137 -10.320 -5.705 -0.613 1.00 0.38 C ATOM 2314 CG PRO A 137 -10.479 -5.296 0.811 1.00 0.63 C ATOM 2315 CD PRO A 137 -9.277 -4.458 1.132 1.00 0.34 C ATOM 0 HA PRO A 137 -8.430 -6.839 -0.817 1.00 0.30 H new ATOM 0 HB2 PRO A 137 -10.762 -4.970 -1.286 1.00 0.38 H new ATOM 0 HB3 PRO A 137 -10.817 -6.655 -0.808 1.00 0.38 H new ATOM 0 HG2 PRO A 137 -11.400 -4.731 0.955 1.00 0.63 H new ATOM 0 HG3 PRO A 137 -10.534 -6.167 1.464 1.00 0.63 H new ATOM 0 HD2 PRO A 137 -9.449 -3.404 0.912 1.00 0.34 H new ATOM 0 HD3 PRO A 137 -9.010 -4.524 2.187 1.00 0.34 H new ATOM 2323 N PHE A 138 -8.367 -3.948 -2.324 1.00 0.32 N ATOM 2324 CA PHE A 138 -8.089 -3.303 -3.605 1.00 0.36 C ATOM 2325 C PHE A 138 -6.717 -3.710 -4.132 1.00 0.35 C ATOM 2326 O PHE A 138 -6.548 -3.947 -5.327 1.00 0.36 O ATOM 2327 CB PHE A 138 -8.162 -1.780 -3.462 1.00 0.43 C ATOM 2328 CG PHE A 138 -8.140 -1.038 -4.771 1.00 0.86 C ATOM 2329 CD1 PHE A 138 -6.936 -0.735 -5.386 1.00 1.56 C ATOM 2330 CD2 PHE A 138 -9.320 -0.654 -5.393 1.00 1.21 C ATOM 2331 CE1 PHE A 138 -6.907 -0.064 -6.592 1.00 2.23 C ATOM 2332 CE2 PHE A 138 -9.295 0.016 -6.599 1.00 1.88 C ATOM 2333 CZ PHE A 138 -8.111 0.353 -7.177 1.00 2.31 C ATOM 0 H PHE A 138 -8.501 -3.301 -1.547 1.00 0.32 H new ATOM 0 HA PHE A 138 -8.845 -3.630 -4.319 1.00 0.36 H new ATOM 0 HB2 PHE A 138 -9.074 -1.520 -2.924 1.00 0.43 H new ATOM 0 HB3 PHE A 138 -7.325 -1.443 -2.851 1.00 0.43 H new ATOM 0 HD1 PHE A 138 -6.009 -1.027 -4.916 1.00 1.56 H new ATOM 0 HD2 PHE A 138 -10.268 -0.882 -4.928 1.00 1.21 H new ATOM 0 HE1 PHE A 138 -5.965 0.138 -7.081 1.00 2.23 H new ATOM 0 HE2 PHE A 138 -10.223 0.275 -7.088 1.00 1.88 H new ATOM 0 HZ PHE A 138 -8.098 0.940 -8.084 1.00 2.31 H new ATOM 2343 N LEU A 139 -5.745 -3.797 -3.236 1.00 0.35 N ATOM 2344 CA LEU A 139 -4.393 -4.159 -3.627 1.00 0.36 C ATOM 2345 C LEU A 139 -4.289 -5.657 -3.870 1.00 0.33 C ATOM 2346 O LEU A 139 -3.696 -6.087 -4.860 1.00 0.35 O ATOM 2347 CB LEU A 139 -3.383 -3.712 -2.567 1.00 0.40 C ATOM 2348 CG LEU A 139 -3.274 -2.199 -2.375 1.00 0.48 C ATOM 2349 CD1 LEU A 139 -2.271 -1.869 -1.279 1.00 1.02 C ATOM 2350 CD2 LEU A 139 -2.879 -1.527 -3.681 1.00 0.86 C ATOM 0 H LEU A 139 -5.867 -3.623 -2.238 1.00 0.35 H new ATOM 0 HA LEU A 139 -4.158 -3.644 -4.558 1.00 0.36 H new ATOM 0 HB2 LEU A 139 -3.655 -4.165 -1.614 1.00 0.40 H new ATOM 0 HB3 LEU A 139 -2.401 -4.101 -2.836 1.00 0.40 H new ATOM 0 HG LEU A 139 -4.249 -1.818 -2.071 1.00 0.48 H new ATOM 0 HD11 LEU A 139 -2.208 -0.788 -1.157 1.00 1.02 H new ATOM 0 HD12 LEU A 139 -2.595 -2.321 -0.342 1.00 1.02 H new ATOM 0 HD13 LEU A 139 -1.291 -2.261 -1.552 1.00 1.02 H new ATOM 0 HD21 LEU A 139 -2.805 -0.450 -3.528 1.00 0.86 H new ATOM 0 HD22 LEU A 139 -1.915 -1.913 -4.012 1.00 0.86 H new ATOM 0 HD23 LEU A 139 -3.633 -1.735 -4.440 1.00 0.86 H new ATOM 2362 N ALA A 140 -4.892 -6.446 -2.985 1.00 0.30 N ATOM 2363 CA ALA A 140 -4.911 -7.898 -3.145 1.00 0.28 C ATOM 2364 C ALA A 140 -5.511 -8.264 -4.496 1.00 0.28 C ATOM 2365 O ALA A 140 -5.029 -9.163 -5.182 1.00 0.35 O ATOM 2366 CB ALA A 140 -5.696 -8.547 -2.022 1.00 0.25 C ATOM 0 H ALA A 140 -5.373 -6.106 -2.152 1.00 0.30 H new ATOM 0 HA ALA A 140 -3.887 -8.269 -3.103 1.00 0.28 H new ATOM 0 HB1 ALA A 140 -5.699 -9.628 -2.158 1.00 0.25 H new ATOM 0 HB2 ALA A 140 -5.233 -8.303 -1.066 1.00 0.25 H new ATOM 0 HB3 ALA A 140 -6.721 -8.177 -2.033 1.00 0.25 H new ATOM 2372 N LYS A 141 -6.556 -7.531 -4.862 1.00 0.26 N ATOM 2373 CA LYS A 141 -7.184 -7.629 -6.172 1.00 0.27 C ATOM 2374 C LYS A 141 -6.147 -7.668 -7.291 1.00 0.29 C ATOM 2375 O LYS A 141 -5.971 -8.684 -7.968 1.00 0.30 O ATOM 2376 CB LYS A 141 -8.088 -6.412 -6.386 1.00 0.28 C ATOM 2377 CG LYS A 141 -8.985 -6.508 -7.617 1.00 0.36 C ATOM 2378 CD LYS A 141 -9.939 -7.698 -7.545 1.00 1.15 C ATOM 2379 CE LYS A 141 -9.364 -8.934 -8.228 1.00 1.76 C ATOM 2380 NZ LYS A 141 -10.203 -10.138 -8.000 1.00 2.58 N ATOM 0 H LYS A 141 -6.995 -6.844 -4.249 1.00 0.26 H new ATOM 0 HA LYS A 141 -7.759 -8.554 -6.202 1.00 0.27 H new ATOM 0 HB2 LYS A 141 -8.714 -6.279 -5.504 1.00 0.28 H new ATOM 0 HB3 LYS A 141 -7.465 -5.522 -6.473 1.00 0.28 H new ATOM 0 HG2 LYS A 141 -9.561 -5.588 -7.717 1.00 0.36 H new ATOM 0 HG3 LYS A 141 -8.366 -6.595 -8.510 1.00 0.36 H new ATOM 0 HD2 LYS A 141 -10.154 -7.928 -6.501 1.00 1.15 H new ATOM 0 HD3 LYS A 141 -10.886 -7.432 -8.014 1.00 1.15 H new ATOM 0 HE2 LYS A 141 -9.279 -8.749 -9.299 1.00 1.76 H new ATOM 0 HE3 LYS A 141 -8.357 -9.118 -7.855 1.00 1.76 H new ATOM 0 HZ1 LYS A 141 -9.776 -10.955 -8.481 1.00 2.58 H new ATOM 0 HZ2 LYS A 141 -10.264 -10.330 -6.980 1.00 2.58 H new ATOM 0 HZ3 LYS A 141 -11.157 -9.973 -8.379 1.00 2.58 H new ATOM 2394 N VAL A 142 -5.465 -6.543 -7.470 1.00 0.31 N ATOM 2395 CA VAL A 142 -4.519 -6.374 -8.558 1.00 0.36 C ATOM 2396 C VAL A 142 -3.319 -7.315 -8.430 1.00 0.37 C ATOM 2397 O VAL A 142 -2.660 -7.617 -9.427 1.00 0.44 O ATOM 2398 CB VAL A 142 -4.038 -4.905 -8.655 1.00 0.40 C ATOM 2399 CG1 VAL A 142 -5.152 -3.944 -8.273 1.00 0.50 C ATOM 2400 CG2 VAL A 142 -2.809 -4.663 -7.808 1.00 0.48 C ATOM 0 H VAL A 142 -5.554 -5.727 -6.865 1.00 0.31 H new ATOM 0 HA VAL A 142 -5.047 -6.633 -9.476 1.00 0.36 H new ATOM 0 HB VAL A 142 -3.764 -4.719 -9.694 1.00 0.40 H new ATOM 0 HG11 VAL A 142 -4.790 -2.919 -8.349 1.00 0.50 H new ATOM 0 HG12 VAL A 142 -5.998 -4.081 -8.947 1.00 0.50 H new ATOM 0 HG13 VAL A 142 -5.468 -4.142 -7.249 1.00 0.50 H new ATOM 0 HG21 VAL A 142 -2.502 -3.621 -7.902 1.00 0.48 H new ATOM 0 HG22 VAL A 142 -3.037 -4.881 -6.765 1.00 0.48 H new ATOM 0 HG23 VAL A 142 -2.001 -5.312 -8.146 1.00 0.48 H new ATOM 2404 N PHE A 143 -3.033 -7.785 -7.220 1.00 0.33 N ATOM 2405 CA PHE A 143 -1.914 -8.703 -7.035 1.00 0.36 C ATOM 2406 C PHE A 143 -2.301 -10.117 -7.453 1.00 0.40 C ATOM 2407 O PHE A 143 -1.496 -10.833 -8.052 1.00 0.47 O ATOM 2408 CB PHE A 143 -1.397 -8.705 -5.592 1.00 0.36 C ATOM 2409 CG PHE A 143 -0.758 -7.418 -5.155 1.00 0.34 C ATOM 2410 CD1 PHE A 143 0.090 -6.719 -6.000 1.00 0.47 C ATOM 2411 CD2 PHE A 143 -1.004 -6.909 -3.889 1.00 0.58 C ATOM 2412 CE1 PHE A 143 0.677 -5.538 -5.591 1.00 0.47 C ATOM 2413 CE2 PHE A 143 -0.419 -5.729 -3.475 1.00 0.62 C ATOM 2414 CZ PHE A 143 0.422 -5.042 -4.327 1.00 0.39 C ATOM 0 H PHE A 143 -3.547 -7.552 -6.370 1.00 0.33 H new ATOM 0 HA PHE A 143 -1.105 -8.348 -7.674 1.00 0.36 H new ATOM 0 HB2 PHE A 143 -2.228 -8.929 -4.923 1.00 0.36 H new ATOM 0 HB3 PHE A 143 -0.672 -9.511 -5.481 1.00 0.36 H new ATOM 0 HD1 PHE A 143 0.294 -7.102 -6.989 1.00 0.47 H new ATOM 0 HD2 PHE A 143 -1.661 -7.442 -3.218 1.00 0.58 H new ATOM 0 HE1 PHE A 143 1.335 -5.002 -6.259 1.00 0.47 H new ATOM 0 HE2 PHE A 143 -0.619 -5.344 -2.486 1.00 0.62 H new ATOM 0 HZ PHE A 143 0.880 -4.118 -4.006 1.00 0.39 H new ATOM 2424 N GLU A 144 -3.532 -10.522 -7.145 1.00 0.41 N ATOM 2425 CA GLU A 144 -3.996 -11.854 -7.512 1.00 0.45 C ATOM 2426 C GLU A 144 -4.207 -11.944 -9.015 1.00 0.45 C ATOM 2427 O GLU A 144 -3.816 -12.923 -9.651 1.00 0.54 O ATOM 2428 CB GLU A 144 -5.303 -12.208 -6.801 1.00 0.47 C ATOM 2429 CG GLU A 144 -5.208 -12.237 -5.288 1.00 0.60 C ATOM 2430 CD GLU A 144 -6.510 -12.673 -4.653 1.00 1.55 C ATOM 2431 OE1 GLU A 144 -7.472 -11.877 -4.648 1.00 2.58 O ATOM 2432 OE2 GLU A 144 -6.574 -13.807 -4.139 1.00 1.55 O ATOM 0 H GLU A 144 -4.217 -9.953 -6.648 1.00 0.41 H new ATOM 0 HA GLU A 144 -3.228 -12.563 -7.203 1.00 0.45 H new ATOM 0 HB2 GLU A 144 -6.066 -11.486 -7.091 1.00 0.47 H new ATOM 0 HB3 GLU A 144 -5.639 -13.184 -7.150 1.00 0.47 H new ATOM 0 HG2 GLU A 144 -4.411 -12.917 -4.987 1.00 0.60 H new ATOM 0 HG3 GLU A 144 -4.938 -11.247 -4.921 1.00 0.60 H new ATOM 2439 N SER A 145 -4.825 -10.907 -9.575 1.00 0.43 N ATOM 2440 CA SER A 145 -5.106 -10.855 -11.003 1.00 0.49 C ATOM 2441 C SER A 145 -3.821 -10.687 -11.809 1.00 0.57 C ATOM 2442 O SER A 145 -3.780 -10.976 -13.004 1.00 1.32 O ATOM 2443 CB SER A 145 -6.067 -9.706 -11.302 1.00 0.50 C ATOM 2444 OG SER A 145 -7.252 -9.824 -10.531 1.00 1.29 O ATOM 0 H SER A 145 -5.141 -10.088 -9.056 1.00 0.43 H new ATOM 0 HA SER A 145 -5.569 -11.798 -11.296 1.00 0.49 H new ATOM 0 HB2 SER A 145 -5.581 -8.755 -11.086 1.00 0.50 H new ATOM 0 HB3 SER A 145 -6.317 -9.703 -12.363 1.00 0.50 H new ATOM 0 HG SER A 145 -7.087 -9.490 -9.625 1.00 1.29 H new ATOM 2450 N GLY A 146 -2.774 -10.213 -11.146 1.00 0.79 N ATOM 2451 CA GLY A 146 -1.493 -10.056 -11.800 1.00 0.78 C ATOM 2452 C GLY A 146 -1.366 -8.731 -12.518 1.00 0.70 C ATOM 2453 O GLY A 146 -0.464 -8.544 -13.329 1.00 1.09 O ATOM 0 H GLY A 146 -2.791 -9.934 -10.165 1.00 0.79 H new ATOM 0 HA2 GLY A 146 -0.698 -10.141 -11.059 1.00 0.78 H new ATOM 0 HA3 GLY A 146 -1.352 -10.867 -12.514 1.00 0.78 H new ATOM 2457 N LYS A 147 -2.256 -7.801 -12.204 1.00 0.54 N ATOM 2458 CA LYS A 147 -2.234 -6.487 -12.827 1.00 0.48 C ATOM 2459 C LYS A 147 -0.931 -5.775 -12.469 1.00 0.40 C ATOM 2460 O LYS A 147 -0.286 -5.165 -13.323 1.00 0.45 O ATOM 2461 CB LYS A 147 -3.452 -5.670 -12.375 1.00 0.54 C ATOM 2462 CG LYS A 147 -3.752 -4.453 -13.241 1.00 0.83 C ATOM 2463 CD LYS A 147 -2.838 -3.286 -12.930 1.00 1.15 C ATOM 2464 CE LYS A 147 -2.947 -2.190 -13.977 1.00 1.55 C ATOM 2465 NZ LYS A 147 -4.356 -1.801 -14.239 1.00 1.98 N ATOM 0 H LYS A 147 -3.002 -7.933 -11.521 1.00 0.54 H new ATOM 0 HA LYS A 147 -2.284 -6.595 -13.911 1.00 0.48 H new ATOM 0 HB2 LYS A 147 -4.327 -6.320 -12.368 1.00 0.54 H new ATOM 0 HB3 LYS A 147 -3.292 -5.340 -11.349 1.00 0.54 H new ATOM 0 HG2 LYS A 147 -3.648 -4.723 -14.292 1.00 0.83 H new ATOM 0 HG3 LYS A 147 -4.788 -4.150 -13.091 1.00 0.83 H new ATOM 0 HD2 LYS A 147 -3.088 -2.879 -11.950 1.00 1.15 H new ATOM 0 HD3 LYS A 147 -1.807 -3.636 -12.876 1.00 1.15 H new ATOM 0 HE2 LYS A 147 -2.387 -1.316 -13.645 1.00 1.55 H new ATOM 0 HE3 LYS A 147 -2.487 -2.530 -14.905 1.00 1.55 H new ATOM 0 HZ1 LYS A 147 -4.384 -0.832 -14.616 1.00 1.98 H new ATOM 0 HZ2 LYS A 147 -4.773 -2.454 -14.932 1.00 1.98 H new ATOM 0 HZ3 LYS A 147 -4.899 -1.844 -13.353 1.00 1.98 H new ATOM 2479 N ALA A 148 -0.539 -5.879 -11.204 1.00 0.33 N ATOM 2480 CA ALA A 148 0.725 -5.315 -10.753 1.00 0.29 C ATOM 2481 C ALA A 148 1.890 -6.104 -11.329 1.00 0.31 C ATOM 2482 O ALA A 148 2.952 -5.551 -11.611 1.00 0.34 O ATOM 2483 CB ALA A 148 0.795 -5.307 -9.235 1.00 0.33 C ATOM 0 H ALA A 148 -1.078 -6.348 -10.475 1.00 0.33 H new ATOM 0 HA ALA A 148 0.789 -4.286 -11.107 1.00 0.29 H new ATOM 0 HB1 ALA A 148 1.747 -4.882 -8.917 1.00 0.33 H new ATOM 0 HB2 ALA A 148 -0.022 -4.706 -8.836 1.00 0.33 H new ATOM 0 HB3 ALA A 148 0.710 -6.328 -8.861 1.00 0.33 H new ATOM 2489 N ALA A 149 1.678 -7.404 -11.506 1.00 0.35 N ATOM 2490 CA ALA A 149 2.697 -8.276 -12.069 1.00 0.41 C ATOM 2491 C ALA A 149 3.076 -7.836 -13.484 1.00 0.43 C ATOM 2492 O ALA A 149 4.254 -7.796 -13.830 1.00 0.51 O ATOM 2493 CB ALA A 149 2.225 -9.722 -12.057 1.00 0.48 C ATOM 0 H ALA A 149 0.806 -7.876 -11.266 1.00 0.35 H new ATOM 0 HA ALA A 149 3.590 -8.202 -11.449 1.00 0.41 H new ATOM 0 HB1 ALA A 149 2.999 -10.361 -12.482 1.00 0.48 H new ATOM 0 HB2 ALA A 149 2.022 -10.030 -11.031 1.00 0.48 H new ATOM 0 HB3 ALA A 149 1.315 -9.812 -12.650 1.00 0.48 H new ATOM 2499 N LYS A 150 2.078 -7.462 -14.284 1.00 0.41 N ATOM 2500 CA LYS A 150 2.323 -7.001 -15.654 1.00 0.46 C ATOM 2501 C LYS A 150 2.979 -5.620 -15.672 1.00 0.45 C ATOM 2502 O LYS A 150 3.401 -5.136 -16.721 1.00 0.59 O ATOM 2503 CB LYS A 150 1.028 -6.956 -16.473 1.00 0.53 C ATOM 2504 CG LYS A 150 0.665 -8.265 -17.161 1.00 1.16 C ATOM 2505 CD LYS A 150 0.227 -9.327 -16.172 1.00 1.45 C ATOM 2506 CE LYS A 150 -0.242 -10.587 -16.878 1.00 1.96 C ATOM 2507 NZ LYS A 150 -0.801 -11.575 -15.922 1.00 2.82 N ATOM 0 H LYS A 150 1.095 -7.468 -14.010 1.00 0.41 H new ATOM 0 HA LYS A 150 3.003 -7.722 -16.107 1.00 0.46 H new ATOM 0 HB2 LYS A 150 0.208 -6.667 -15.815 1.00 0.53 H new ATOM 0 HB3 LYS A 150 1.119 -6.177 -17.230 1.00 0.53 H new ATOM 0 HG2 LYS A 150 -0.136 -8.087 -17.879 1.00 1.16 H new ATOM 0 HG3 LYS A 150 1.524 -8.628 -17.725 1.00 1.16 H new ATOM 0 HD2 LYS A 150 1.055 -9.569 -15.506 1.00 1.45 H new ATOM 0 HD3 LYS A 150 -0.578 -8.936 -15.550 1.00 1.45 H new ATOM 0 HE2 LYS A 150 -0.999 -10.329 -17.619 1.00 1.96 H new ATOM 0 HE3 LYS A 150 0.593 -11.034 -17.417 1.00 1.96 H new ATOM 0 HZ1 LYS A 150 -1.111 -12.422 -16.440 1.00 2.82 H new ATOM 0 HZ2 LYS A 150 -0.071 -11.840 -15.230 1.00 2.82 H new ATOM 0 HZ3 LYS A 150 -1.613 -11.156 -15.425 1.00 2.82 H new ATOM 2521 N PHE A 151 3.052 -4.988 -14.510 1.00 0.35 N ATOM 2522 CA PHE A 151 3.684 -3.684 -14.391 1.00 0.36 C ATOM 2523 C PHE A 151 5.147 -3.849 -13.985 1.00 0.40 C ATOM 2524 O PHE A 151 6.029 -3.166 -14.505 1.00 0.46 O ATOM 2525 CB PHE A 151 2.937 -2.829 -13.360 1.00 0.34 C ATOM 2526 CG PHE A 151 3.301 -1.372 -13.399 1.00 0.33 C ATOM 2527 CD1 PHE A 151 4.394 -0.903 -12.688 1.00 0.43 C ATOM 2528 CD2 PHE A 151 2.556 -0.473 -14.142 1.00 0.46 C ATOM 2529 CE1 PHE A 151 4.735 0.435 -12.718 1.00 0.44 C ATOM 2530 CE2 PHE A 151 2.892 0.867 -14.177 1.00 0.49 C ATOM 2531 CZ PHE A 151 3.972 1.324 -13.473 1.00 0.39 C ATOM 0 H PHE A 151 2.681 -5.358 -13.635 1.00 0.35 H new ATOM 0 HA PHE A 151 3.643 -3.180 -15.356 1.00 0.36 H new ATOM 0 HB2 PHE A 151 1.865 -2.930 -13.527 1.00 0.34 H new ATOM 0 HB3 PHE A 151 3.142 -3.218 -12.363 1.00 0.34 H new ATOM 0 HD1 PHE A 151 4.986 -1.592 -12.104 1.00 0.43 H new ATOM 0 HD2 PHE A 151 1.701 -0.823 -14.702 1.00 0.46 H new ATOM 0 HE1 PHE A 151 5.588 0.790 -12.159 1.00 0.44 H new ATOM 0 HE2 PHE A 151 2.300 1.555 -14.762 1.00 0.49 H new ATOM 0 HZ PHE A 151 4.233 2.372 -13.502 1.00 0.39 H new ATOM 2541 N ALA A 152 5.392 -4.781 -13.076 1.00 0.39 N ATOM 2542 CA ALA A 152 6.735 -5.028 -12.558 1.00 0.44 C ATOM 2543 C ALA A 152 7.596 -5.816 -13.534 1.00 0.52 C ATOM 2544 O ALA A 152 8.823 -5.738 -13.500 1.00 0.59 O ATOM 2545 CB ALA A 152 6.654 -5.800 -11.253 1.00 0.44 C ATOM 0 H ALA A 152 4.673 -5.385 -12.677 1.00 0.39 H new ATOM 0 HA ALA A 152 7.198 -4.053 -12.403 1.00 0.44 H new ATOM 0 HB1 ALA A 152 7.660 -5.980 -10.874 1.00 0.44 H new ATOM 0 HB2 ALA A 152 6.089 -5.221 -10.522 1.00 0.44 H new ATOM 0 HB3 ALA A 152 6.155 -6.754 -11.425 1.00 0.44 H new ATOM 2551 N GLY A 153 6.942 -6.571 -14.401 1.00 0.65 N ATOM 2552 CA GLY A 153 7.648 -7.530 -15.220 1.00 0.84 C ATOM 2553 C GLY A 153 7.651 -8.885 -14.545 1.00 1.06 C ATOM 2554 O GLY A 153 8.606 -9.655 -14.665 1.00 1.62 O ATOM 0 H GLY A 153 5.934 -6.536 -14.552 1.00 0.65 H new ATOM 0 HA2 GLY A 153 7.174 -7.603 -16.199 1.00 0.84 H new ATOM 0 HA3 GLY A 153 8.672 -7.195 -15.386 1.00 0.84 H new