USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 818 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 35 HIS : no HE2:sc= -3.51! X(o=-3.3!,f=-3.7) USER MOD Set 1.2: A 48 TYR OH : rot -116:sc= 0.239 USER MOD Single : A 14 THR OG1 : rot -31:sc= 0.136 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0363 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -110:sc= -1.64! (180deg=-4.59!) USER MOD Single : A 29 ASN : amide:sc= -2.35! C(o=-2.4!,f=-8.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 152:sc=-0.00847 (180deg=-0.767) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0836) USER MOD Single : A 50 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 THR OG1 : rot 27:sc= 0.447 USER MOD Single : A 53 LYS NZ :NH3+ 142:sc= -0.451 (180deg=-2.29!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 66 ASN : amide:sc= -2.59 K(o=-2.6,f=0.0035) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.546 K(o=-0.55,f=-3.5) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 140:sc= 0 USER MOD Single : A 83 THR OG1 : rot 144:sc= 0.87 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -1.86 K(o=-1.9,f=-0.52) USER MOD Single : A 99 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.73) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -157:sc= -0.0633 (180deg=-0.361) USER MOD Single : A 114 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 182 N THR A 14 -3.049 7.376 4.010 1.00 0.00 N ATOM 183 CA THR A 14 -3.022 5.997 3.537 1.00 0.00 C ATOM 184 C THR A 14 -3.711 5.063 4.525 1.00 0.00 C ATOM 185 O THR A 14 -3.995 5.445 5.660 1.00 0.00 O ATOM 186 CB THR A 14 -1.579 5.510 3.309 1.00 0.00 C ATOM 187 OG1 THR A 14 -0.802 5.706 4.495 1.00 0.00 O ATOM 188 CG2 THR A 14 -0.935 6.252 2.147 1.00 0.00 C ATOM 0 HA THR A 14 -3.559 5.978 2.588 1.00 0.00 H new ATOM 0 HB THR A 14 -1.612 4.447 3.068 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.131 6.495 4.975 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.084 5.891 2.005 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.512 6.077 1.239 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.915 7.320 2.364 1.00 0.00 H new ATOM 196 N ALA A 15 -3.977 3.837 4.087 1.00 0.00 N ATOM 197 CA ALA A 15 -4.630 2.848 4.935 1.00 0.00 C ATOM 198 C ALA A 15 -3.877 1.522 4.912 1.00 0.00 C ATOM 199 O ALA A 15 -3.185 1.190 3.949 1.00 0.00 O ATOM 200 CB ALA A 15 -6.072 2.645 4.495 1.00 0.00 C ATOM 0 H ALA A 15 -3.750 3.505 3.150 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.623 3.223 5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.547 1.904 5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.612 3.589 4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.092 2.297 3.462 1.00 0.00 H new ATOM 206 N PRO A 16 -4.013 0.744 5.996 1.00 0.00 N ATOM 207 CA PRO A 16 -3.353 -0.558 6.124 1.00 0.00 C ATOM 208 C PRO A 16 -3.941 -1.602 5.181 1.00 0.00 C ATOM 209 O PRO A 16 -5.141 -1.876 5.213 1.00 0.00 O ATOM 210 CB PRO A 16 -3.614 -0.947 7.581 1.00 0.00 C ATOM 211 CG PRO A 16 -4.857 -0.215 7.952 1.00 0.00 C ATOM 212 CD PRO A 16 -4.823 1.076 7.180 1.00 0.00 C ATOM 0 HA PRO A 16 -2.295 -0.505 5.865 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.743 -2.024 7.686 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.780 -0.662 8.222 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.743 -0.797 7.700 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.894 -0.027 9.025 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.824 1.405 6.902 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.373 1.881 7.762 1.00 0.00 H new ATOM 220 N VAL A 17 -3.089 -2.182 4.341 1.00 0.00 N ATOM 221 CA VAL A 17 -3.525 -3.197 3.390 1.00 0.00 C ATOM 222 C VAL A 17 -3.564 -4.577 4.037 1.00 0.00 C ATOM 223 O VAL A 17 -2.624 -4.979 4.722 1.00 0.00 O ATOM 224 CB VAL A 17 -2.600 -3.246 2.158 1.00 0.00 C ATOM 225 CG1 VAL A 17 -3.073 -4.307 1.177 1.00 0.00 C ATOM 226 CG2 VAL A 17 -2.533 -1.881 1.489 1.00 0.00 C ATOM 0 H VAL A 17 -2.093 -1.966 4.300 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.530 -2.920 3.071 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.596 -3.513 2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.408 -4.327 0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.065 -5.282 1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.086 -4.074 0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.876 -1.933 0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.532 -1.582 1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.143 -1.148 2.196 1.00 0.00 H new ATOM 236 N ALA A 18 -4.658 -5.298 3.815 1.00 0.00 N ATOM 237 CA ALA A 18 -4.818 -6.634 4.374 1.00 0.00 C ATOM 238 C ALA A 18 -5.157 -7.648 3.286 1.00 0.00 C ATOM 239 O ALA A 18 -6.315 -7.781 2.886 1.00 0.00 O ATOM 240 CB ALA A 18 -5.895 -6.630 5.449 1.00 0.00 C ATOM 0 H ALA A 18 -5.446 -4.979 3.252 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.870 -6.928 4.825 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.004 -7.634 5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.611 -5.942 6.246 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.842 -6.310 5.014 1.00 0.00 H new ATOM 246 N LEU A 19 -4.142 -8.360 2.811 1.00 0.00 N ATOM 247 CA LEU A 19 -4.332 -9.362 1.768 1.00 0.00 C ATOM 248 C LEU A 19 -4.483 -10.754 2.371 1.00 0.00 C ATOM 249 O LEU A 19 -4.225 -10.959 3.558 1.00 0.00 O ATOM 250 CB LEU A 19 -3.154 -9.341 0.792 1.00 0.00 C ATOM 251 CG LEU A 19 -2.917 -8.023 0.054 1.00 0.00 C ATOM 252 CD1 LEU A 19 -1.543 -8.016 -0.598 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.004 -7.791 -0.986 1.00 0.00 C ATOM 0 H LEU A 19 -3.179 -8.262 3.131 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.247 -9.119 1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.248 -9.594 1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.307 -10.126 0.052 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.957 -7.210 0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.392 -7.070 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.776 -8.135 0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.474 -8.838 -1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.819 -6.848 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.997 -8.607 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.976 -7.751 -0.494 1.00 0.00 H new ATOM 265 N ARG A 20 -4.900 -11.709 1.547 1.00 0.00 N ATOM 266 CA ARG A 20 -5.084 -13.083 1.999 1.00 0.00 C ATOM 267 C ARG A 20 -4.090 -14.018 1.317 1.00 0.00 C ATOM 268 O ARG A 20 -4.208 -14.302 0.125 1.00 0.00 O ATOM 269 CB ARG A 20 -6.514 -13.548 1.717 1.00 0.00 C ATOM 270 CG ARG A 20 -6.797 -14.965 2.188 1.00 0.00 C ATOM 271 CD ARG A 20 -8.284 -15.190 2.415 1.00 0.00 C ATOM 272 NE ARG A 20 -9.065 -14.943 1.206 1.00 0.00 N ATOM 273 CZ ARG A 20 -10.361 -15.217 1.099 1.00 0.00 C ATOM 274 NH1 ARG A 20 -11.017 -15.744 2.124 1.00 0.00 N ATOM 275 NH2 ARG A 20 -11.002 -14.963 -0.034 1.00 0.00 N ATOM 0 H ARG A 20 -5.117 -11.557 0.562 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.905 -13.112 3.074 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.211 -12.866 2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.703 -13.486 0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.429 -15.676 1.448 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.253 -15.158 3.113 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.449 -16.214 2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.633 -14.534 3.212 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.590 -14.538 0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.527 -15.940 2.997 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.012 -15.953 2.040 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.500 -14.557 -0.824 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.997 -15.174 -0.115 1.00 0.00 H new ATOM 289 N GLU A 21 -3.110 -14.491 2.081 1.00 0.00 N ATOM 290 CA GLU A 21 -2.095 -15.393 1.549 1.00 0.00 C ATOM 291 C GLU A 21 -2.705 -16.741 1.177 1.00 0.00 C ATOM 292 O GLU A 21 -3.675 -17.186 1.790 1.00 0.00 O ATOM 293 CB GLU A 21 -0.973 -15.592 2.569 1.00 0.00 C ATOM 294 CG GLU A 21 -1.394 -16.398 3.787 1.00 0.00 C ATOM 295 CD GLU A 21 -1.185 -17.888 3.601 1.00 0.00 C ATOM 296 OE1 GLU A 21 -0.063 -18.368 3.866 1.00 0.00 O ATOM 297 OE2 GLU A 21 -2.144 -18.574 3.192 1.00 0.00 O ATOM 0 H GLU A 21 -2.998 -14.265 3.069 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.681 -14.941 0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.136 -16.094 2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.613 -14.616 2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.827 -16.061 4.655 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.446 -16.206 3.999 1.00 0.00 H new ATOM 304 N GLY A 22 -2.129 -17.387 0.168 1.00 0.00 N ATOM 305 CA GLY A 22 -2.630 -18.677 -0.269 1.00 0.00 C ATOM 306 C GLY A 22 -3.312 -18.607 -1.621 1.00 0.00 C ATOM 307 O GLY A 22 -2.942 -19.328 -2.547 1.00 0.00 O ATOM 0 H GLY A 22 -1.325 -17.040 -0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.804 -19.386 -0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.334 -19.059 0.470 1.00 0.00 H new ATOM 311 N GLU A 23 -4.312 -17.738 -1.733 1.00 0.00 N ATOM 312 CA GLU A 23 -5.048 -17.580 -2.982 1.00 0.00 C ATOM 313 C GLU A 23 -4.480 -16.428 -3.806 1.00 0.00 C ATOM 314 O GLU A 23 -3.845 -15.521 -3.269 1.00 0.00 O ATOM 315 CB GLU A 23 -6.531 -17.335 -2.697 1.00 0.00 C ATOM 316 CG GLU A 23 -7.450 -17.793 -3.817 1.00 0.00 C ATOM 317 CD GLU A 23 -8.800 -17.103 -3.784 1.00 0.00 C ATOM 318 OE1 GLU A 23 -8.888 -15.997 -3.211 1.00 0.00 O ATOM 319 OE2 GLU A 23 -9.769 -17.670 -4.331 1.00 0.00 O ATOM 0 H GLU A 23 -4.631 -17.134 -0.975 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.942 -18.501 -3.556 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.806 -17.853 -1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.688 -16.271 -2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.971 -17.600 -4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.595 -18.871 -3.745 1.00 0.00 H new ATOM 326 N ASP A 24 -4.714 -16.473 -5.113 1.00 0.00 N ATOM 327 CA ASP A 24 -4.226 -15.434 -6.013 1.00 0.00 C ATOM 328 C ASP A 24 -5.061 -14.163 -5.879 1.00 0.00 C ATOM 329 O ASP A 24 -6.288 -14.202 -5.972 1.00 0.00 O ATOM 330 CB ASP A 24 -4.255 -15.927 -7.460 1.00 0.00 C ATOM 331 CG ASP A 24 -3.348 -17.121 -7.683 1.00 0.00 C ATOM 332 OD1 ASP A 24 -3.556 -18.158 -7.018 1.00 0.00 O ATOM 333 OD2 ASP A 24 -2.430 -17.019 -8.523 1.00 0.00 O ATOM 0 H ASP A 24 -5.238 -17.217 -5.573 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.197 -15.203 -5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.277 -16.195 -7.729 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.953 -15.116 -8.123 1.00 0.00 H new ATOM 338 N LEU A 25 -4.387 -13.040 -5.658 1.00 0.00 N ATOM 339 CA LEU A 25 -5.066 -11.757 -5.510 1.00 0.00 C ATOM 340 C LEU A 25 -4.663 -10.796 -6.623 1.00 0.00 C ATOM 341 O LEU A 25 -3.785 -9.953 -6.441 1.00 0.00 O ATOM 342 CB LEU A 25 -4.744 -11.142 -4.147 1.00 0.00 C ATOM 343 CG LEU A 25 -5.252 -11.909 -2.927 1.00 0.00 C ATOM 344 CD1 LEU A 25 -4.485 -11.498 -1.680 1.00 0.00 C ATOM 345 CD2 LEU A 25 -6.745 -11.681 -2.736 1.00 0.00 C ATOM 0 H LEU A 25 -3.371 -12.991 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.140 -11.932 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.662 -11.041 -4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.161 -10.135 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.086 -12.973 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.861 -12.055 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.425 -11.714 -1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.618 -10.430 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.089 -12.235 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.935 -10.618 -2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.282 -12.027 -3.619 1.00 0.00 H new ATOM 357 N SER A 26 -5.313 -10.927 -7.775 1.00 0.00 N ATOM 358 CA SER A 26 -5.021 -10.071 -8.919 1.00 0.00 C ATOM 359 C SER A 26 -6.074 -8.976 -9.061 1.00 0.00 C ATOM 360 O SER A 26 -5.748 -7.807 -9.267 1.00 0.00 O ATOM 361 CB SER A 26 -4.957 -10.902 -10.202 1.00 0.00 C ATOM 362 OG SER A 26 -6.195 -11.544 -10.456 1.00 0.00 O ATOM 0 H SER A 26 -6.045 -11.618 -7.941 1.00 0.00 H new ATOM 0 HA SER A 26 -4.052 -9.600 -8.751 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.698 -10.259 -11.043 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.167 -11.649 -10.117 1.00 0.00 H new ATOM 0 HG SER A 26 -6.129 -12.067 -11.282 1.00 0.00 H new ATOM 368 N LYS A 27 -7.340 -9.364 -8.949 1.00 0.00 N ATOM 369 CA LYS A 27 -8.444 -8.418 -9.063 1.00 0.00 C ATOM 370 C LYS A 27 -8.360 -7.351 -7.976 1.00 0.00 C ATOM 371 O LYS A 27 -8.541 -6.163 -8.242 1.00 0.00 O ATOM 372 CB LYS A 27 -9.783 -9.151 -8.972 1.00 0.00 C ATOM 373 CG LYS A 27 -10.985 -8.223 -8.951 1.00 0.00 C ATOM 374 CD LYS A 27 -12.280 -8.981 -9.191 1.00 0.00 C ATOM 375 CE LYS A 27 -13.377 -8.062 -9.707 1.00 0.00 C ATOM 376 NZ LYS A 27 -14.050 -7.327 -8.600 1.00 0.00 N ATOM 0 H LYS A 27 -7.627 -10.328 -8.779 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.371 -7.928 -10.034 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.874 -9.830 -9.820 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.792 -9.763 -8.070 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.034 -7.712 -7.989 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.866 -7.454 -9.715 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.106 -9.781 -9.910 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.605 -9.451 -8.263 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.951 -7.347 -10.411 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.115 -8.649 -10.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.791 -6.711 -8.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.478 -8.008 -7.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.351 -6.747 -8.093 1.00 0.00 H new ATOM 390 N LYS A 28 -8.085 -7.783 -6.750 1.00 0.00 N ATOM 391 CA LYS A 28 -7.975 -6.866 -5.622 1.00 0.00 C ATOM 392 C LYS A 28 -7.220 -5.602 -6.020 1.00 0.00 C ATOM 393 O LYS A 28 -7.656 -4.489 -5.726 1.00 0.00 O ATOM 394 CB LYS A 28 -7.265 -7.549 -4.450 1.00 0.00 C ATOM 395 CG LYS A 28 -7.988 -8.781 -3.935 1.00 0.00 C ATOM 396 CD LYS A 28 -8.939 -8.436 -2.801 1.00 0.00 C ATOM 397 CE LYS A 28 -10.313 -8.046 -3.324 1.00 0.00 C ATOM 398 NZ LYS A 28 -10.428 -6.577 -3.539 1.00 0.00 N ATOM 0 H LYS A 28 -7.934 -8.763 -6.512 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.982 -6.585 -5.315 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.259 -7.832 -4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.158 -6.834 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.545 -9.244 -4.750 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.259 -9.514 -3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.033 -9.291 -2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.525 -7.615 -2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.506 -8.567 -4.262 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.076 -8.370 -2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.071 -6.171 -2.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.490 -6.138 -3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.804 -6.394 -4.491 1.00 0.00 H new ATOM 412 N ASN A 29 -6.087 -5.781 -6.692 1.00 0.00 N ATOM 413 CA ASN A 29 -5.273 -4.654 -7.131 1.00 0.00 C ATOM 414 C ASN A 29 -6.100 -3.676 -7.960 1.00 0.00 C ATOM 415 O ASN A 29 -7.069 -4.049 -8.621 1.00 0.00 O ATOM 416 CB ASN A 29 -4.078 -5.149 -7.948 1.00 0.00 C ATOM 417 CG ASN A 29 -3.271 -6.201 -7.212 1.00 0.00 C ATOM 418 OD1 ASN A 29 -2.645 -5.917 -6.190 1.00 0.00 O ATOM 419 ND2 ASN A 29 -3.281 -7.424 -7.730 1.00 0.00 N ATOM 0 H ASN A 29 -5.712 -6.696 -6.944 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.909 -4.134 -6.245 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.433 -5.562 -8.892 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.433 -4.305 -8.192 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.756 -8.173 -7.279 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.814 -7.614 -8.579 1.00 0.00 H new ATOM 426 N PRO A 30 -5.709 -2.393 -7.927 1.00 0.00 N ATOM 427 CA PRO A 30 -4.557 -1.938 -7.143 1.00 0.00 C ATOM 428 C PRO A 30 -4.815 -2.000 -5.642 1.00 0.00 C ATOM 429 O PRO A 30 -5.823 -1.488 -5.154 1.00 0.00 O ATOM 430 CB PRO A 30 -4.373 -0.486 -7.594 1.00 0.00 C ATOM 431 CG PRO A 30 -5.722 -0.062 -8.063 1.00 0.00 C ATOM 432 CD PRO A 30 -6.361 -1.289 -8.650 1.00 0.00 C ATOM 0 HA PRO A 30 -3.680 -2.565 -7.306 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.023 0.142 -6.775 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.634 -0.410 -8.392 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.316 0.331 -7.238 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.645 0.731 -8.806 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.440 -1.291 -8.498 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.190 -1.356 -9.724 1.00 0.00 H new ATOM 440 N ILE A 31 -3.900 -2.631 -4.914 1.00 0.00 N ATOM 441 CA ILE A 31 -4.029 -2.758 -3.468 1.00 0.00 C ATOM 442 C ILE A 31 -3.580 -1.484 -2.761 1.00 0.00 C ATOM 443 O ILE A 31 -3.959 -1.229 -1.618 1.00 0.00 O ATOM 444 CB ILE A 31 -3.208 -3.946 -2.932 1.00 0.00 C ATOM 445 CG1 ILE A 31 -1.738 -3.800 -3.331 1.00 0.00 C ATOM 446 CG2 ILE A 31 -3.775 -5.259 -3.450 1.00 0.00 C ATOM 447 CD1 ILE A 31 -0.798 -4.635 -2.491 1.00 0.00 C ATOM 0 H ILE A 31 -3.061 -3.062 -5.302 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.085 -2.933 -3.260 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.271 -3.950 -1.844 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.624 -4.082 -4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.450 -2.752 -3.250 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.184 -6.089 -3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.808 -5.364 -3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.739 -5.266 -4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.227 -4.482 -2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.883 -4.338 -1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.059 -5.688 -2.591 1.00 0.00 H new ATOM 459 N ALA A 32 -2.770 -0.686 -3.450 1.00 0.00 N ATOM 460 CA ALA A 32 -2.272 0.564 -2.890 1.00 0.00 C ATOM 461 C ALA A 32 -2.047 1.604 -3.982 1.00 0.00 C ATOM 462 O ALA A 32 -1.703 1.265 -5.115 1.00 0.00 O ATOM 463 CB ALA A 32 -0.984 0.320 -2.117 1.00 0.00 C ATOM 0 H ALA A 32 -2.445 -0.883 -4.397 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.026 0.952 -2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.623 1.262 -1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.174 -0.382 -1.306 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.231 -0.095 -2.787 1.00 0.00 H new ATOM 469 N LYS A 33 -2.243 2.872 -3.636 1.00 0.00 N ATOM 470 CA LYS A 33 -2.061 3.962 -4.586 1.00 0.00 C ATOM 471 C LYS A 33 -1.781 5.275 -3.861 1.00 0.00 C ATOM 472 O LYS A 33 -2.683 5.878 -3.280 1.00 0.00 O ATOM 473 CB LYS A 33 -3.303 4.110 -5.468 1.00 0.00 C ATOM 474 CG LYS A 33 -3.290 5.359 -6.333 1.00 0.00 C ATOM 475 CD LYS A 33 -4.699 5.818 -6.670 1.00 0.00 C ATOM 476 CE LYS A 33 -5.260 5.062 -7.865 1.00 0.00 C ATOM 477 NZ LYS A 33 -6.663 5.462 -8.165 1.00 0.00 N ATOM 0 H LYS A 33 -2.528 3.170 -2.703 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.203 3.723 -5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.388 3.234 -6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.189 4.127 -4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.761 6.157 -5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.741 5.160 -7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.348 5.669 -5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.693 6.887 -6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.635 5.248 -8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.222 3.991 -7.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.009 4.925 -8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.265 5.262 -7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.696 6.479 -8.378 1.00 0.00 H new ATOM 491 N ILE A 34 -0.526 5.711 -3.902 1.00 0.00 N ATOM 492 CA ILE A 34 -0.129 6.953 -3.251 1.00 0.00 C ATOM 493 C ILE A 34 -0.024 8.093 -4.259 1.00 0.00 C ATOM 494 O ILE A 34 0.023 7.864 -5.468 1.00 0.00 O ATOM 495 CB ILE A 34 1.220 6.801 -2.523 1.00 0.00 C ATOM 496 CG1 ILE A 34 2.328 6.463 -3.523 1.00 0.00 C ATOM 497 CG2 ILE A 34 1.124 5.728 -1.449 1.00 0.00 C ATOM 498 CD1 ILE A 34 3.705 6.894 -3.067 1.00 0.00 C ATOM 0 H ILE A 34 0.232 5.223 -4.379 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.903 7.187 -2.520 1.00 0.00 H new ATOM 0 HB ILE A 34 1.466 7.748 -2.042 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.332 5.387 -3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.104 6.941 -4.477 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.085 5.632 -0.943 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.359 6.006 -0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.859 4.776 -1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.441 6.623 -3.824 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.718 7.974 -2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.950 6.396 -2.129 1.00 0.00 H new ATOM 510 N HIS A 35 0.014 9.321 -3.753 1.00 0.00 N ATOM 511 CA HIS A 35 0.116 10.498 -4.609 1.00 0.00 C ATOM 512 C HIS A 35 0.625 11.701 -3.820 1.00 0.00 C ATOM 513 O HIS A 35 0.012 12.115 -2.836 1.00 0.00 O ATOM 514 CB HIS A 35 -1.242 10.820 -5.233 1.00 0.00 C ATOM 515 CG HIS A 35 -1.649 9.862 -6.310 1.00 0.00 C ATOM 516 ND1 HIS A 35 -1.279 10.012 -7.629 1.00 0.00 N ATOM 517 CD2 HIS A 35 -2.397 8.735 -6.256 1.00 0.00 C ATOM 518 CE1 HIS A 35 -1.783 9.020 -8.341 1.00 0.00 C ATOM 519 NE2 HIS A 35 -2.466 8.231 -7.531 1.00 0.00 N ATOM 0 H HIS A 35 -0.024 9.527 -2.755 1.00 0.00 H new ATOM 0 HA HIS A 35 0.829 10.279 -5.403 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.001 10.819 -4.451 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.213 11.828 -5.647 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -0.706 10.771 -7.998 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.854 8.311 -5.374 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.658 8.878 -9.404 1.00 0.00 H new ATOM 528 N SER A 36 1.750 12.257 -4.259 1.00 0.00 N ATOM 529 CA SER A 36 2.343 13.410 -3.592 1.00 0.00 C ATOM 530 C SER A 36 1.351 14.566 -3.518 1.00 0.00 C ATOM 531 O SER A 36 0.358 14.593 -4.246 1.00 0.00 O ATOM 532 CB SER A 36 3.609 13.855 -4.326 1.00 0.00 C ATOM 533 OG SER A 36 4.533 14.453 -3.434 1.00 0.00 O ATOM 0 H SER A 36 2.269 11.928 -5.073 1.00 0.00 H new ATOM 0 HA SER A 36 2.605 13.115 -2.576 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.072 12.996 -4.812 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.347 14.563 -5.112 1.00 0.00 H new ATOM 0 HG SER A 36 5.334 14.727 -3.928 1.00 0.00 H new ATOM 539 N ASP A 37 1.627 15.519 -2.635 1.00 0.00 N ATOM 540 CA ASP A 37 0.760 16.679 -2.466 1.00 0.00 C ATOM 541 C ASP A 37 0.821 17.586 -3.692 1.00 0.00 C ATOM 542 O ASP A 37 -0.205 17.901 -4.296 1.00 0.00 O ATOM 543 CB ASP A 37 1.159 17.463 -1.215 1.00 0.00 C ATOM 544 CG ASP A 37 0.541 16.895 0.046 1.00 0.00 C ATOM 545 OD1 ASP A 37 -0.647 16.514 0.004 1.00 0.00 O ATOM 546 OD2 ASP A 37 1.245 16.831 1.076 1.00 0.00 O ATOM 0 H ASP A 37 2.444 15.511 -2.025 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.264 16.323 -2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.245 17.458 -1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.854 18.503 -1.329 1.00 0.00 H new ATOM 551 N LEU A 38 2.030 18.004 -4.052 1.00 0.00 N ATOM 552 CA LEU A 38 2.225 18.877 -5.205 1.00 0.00 C ATOM 553 C LEU A 38 1.889 18.148 -6.502 1.00 0.00 C ATOM 554 O LEU A 38 1.223 18.697 -7.379 1.00 0.00 O ATOM 555 CB LEU A 38 3.669 19.380 -5.249 1.00 0.00 C ATOM 556 CG LEU A 38 4.013 20.516 -4.284 1.00 0.00 C ATOM 557 CD1 LEU A 38 5.508 20.796 -4.301 1.00 0.00 C ATOM 558 CD2 LEU A 38 3.229 21.772 -4.637 1.00 0.00 C ATOM 0 H LEU A 38 2.889 17.753 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 38 1.552 19.729 -5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.332 18.540 -5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.886 19.714 -6.264 1.00 0.00 H new ATOM 0 HG LEU A 38 3.733 20.209 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.734 21.607 -3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.050 19.899 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.813 21.083 -5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.486 22.570 -3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.477 22.083 -5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.161 21.564 -4.572 1.00 0.00 H new ATOM 570 N ALA A 39 2.353 16.908 -6.615 1.00 0.00 N ATOM 571 CA ALA A 39 2.098 16.103 -7.803 1.00 0.00 C ATOM 572 C ALA A 39 0.668 16.292 -8.298 1.00 0.00 C ATOM 573 O ALA A 39 0.428 16.408 -9.500 1.00 0.00 O ATOM 574 CB ALA A 39 2.368 14.634 -7.513 1.00 0.00 C ATOM 0 H ALA A 39 2.907 16.439 -5.899 1.00 0.00 H new ATOM 0 HA ALA A 39 2.774 16.437 -8.590 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.173 14.045 -8.409 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.409 14.507 -7.214 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.716 14.296 -6.708 1.00 0.00 H new ATOM 580 N GLU A 40 -0.278 16.321 -7.365 1.00 0.00 N ATOM 581 CA GLU A 40 -1.684 16.495 -7.708 1.00 0.00 C ATOM 582 C GLU A 40 -2.100 17.957 -7.575 1.00 0.00 C ATOM 583 O GLU A 40 -2.538 18.579 -8.542 1.00 0.00 O ATOM 584 CB GLU A 40 -2.563 15.620 -6.812 1.00 0.00 C ATOM 585 CG GLU A 40 -4.052 15.831 -7.027 1.00 0.00 C ATOM 586 CD GLU A 40 -4.592 15.027 -8.195 1.00 0.00 C ATOM 587 OE1 GLU A 40 -4.047 13.937 -8.467 1.00 0.00 O ATOM 588 OE2 GLU A 40 -5.560 15.488 -8.836 1.00 0.00 O ATOM 0 H GLU A 40 -0.096 16.226 -6.366 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.818 16.190 -8.746 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.323 14.572 -6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.322 15.826 -5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.589 15.553 -6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.244 16.890 -7.200 1.00 0.00 H new ATOM 595 N GLU A 41 -1.960 18.499 -6.369 1.00 0.00 N ATOM 596 CA GLU A 41 -2.322 19.887 -6.108 1.00 0.00 C ATOM 597 C GLU A 41 -1.964 20.775 -7.297 1.00 0.00 C ATOM 598 O GLU A 41 -2.813 21.492 -7.827 1.00 0.00 O ATOM 599 CB GLU A 41 -1.618 20.394 -4.848 1.00 0.00 C ATOM 600 CG GLU A 41 -2.290 19.957 -3.558 1.00 0.00 C ATOM 601 CD GLU A 41 -3.793 20.161 -3.585 1.00 0.00 C ATOM 602 OE1 GLU A 41 -4.250 21.259 -3.205 1.00 0.00 O ATOM 603 OE2 GLU A 41 -4.511 19.222 -3.987 1.00 0.00 O ATOM 0 H GLU A 41 -1.598 17.998 -5.558 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.400 19.931 -5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.588 20.038 -4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.579 21.483 -4.877 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.073 18.904 -3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.866 20.517 -2.724 1.00 0.00 H new ATOM 610 N ARG A 42 -0.702 20.721 -7.709 1.00 0.00 N ATOM 611 CA ARG A 42 -0.230 21.521 -8.832 1.00 0.00 C ATOM 612 C ARG A 42 -0.392 20.762 -10.146 1.00 0.00 C ATOM 613 O ARG A 42 -0.988 21.266 -11.097 1.00 0.00 O ATOM 614 CB ARG A 42 1.236 21.907 -8.631 1.00 0.00 C ATOM 615 CG ARG A 42 1.432 23.087 -7.693 1.00 0.00 C ATOM 616 CD ARG A 42 2.692 23.867 -8.035 1.00 0.00 C ATOM 617 NE ARG A 42 2.649 24.410 -9.390 1.00 0.00 N ATOM 618 CZ ARG A 42 3.370 25.453 -9.787 1.00 0.00 C ATOM 619 NH1 ARG A 42 4.187 26.060 -8.937 1.00 0.00 N ATOM 620 NH2 ARG A 42 3.276 25.889 -11.036 1.00 0.00 N ATOM 0 H ARG A 42 0.012 20.131 -7.282 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.834 22.427 -8.879 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.779 21.047 -8.238 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.676 22.146 -9.599 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.567 23.747 -7.752 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.492 22.730 -6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.819 24.682 -7.322 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.560 23.216 -7.933 1.00 0.00 H new ATOM 0 HE ARG A 42 2.032 23.964 -10.069 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.263 25.726 -7.976 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.740 26.861 -9.244 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.650 25.424 -11.693 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.830 26.690 -11.340 1.00 0.00 H new ATOM 634 N GLY A 43 0.144 19.546 -10.191 1.00 0.00 N ATOM 635 CA GLY A 43 0.049 18.737 -11.392 1.00 0.00 C ATOM 636 C GLY A 43 1.409 18.357 -11.944 1.00 0.00 C ATOM 637 O GLY A 43 1.671 18.523 -13.136 1.00 0.00 O ATOM 0 H GLY A 43 0.642 19.107 -9.417 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.517 17.831 -11.173 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.508 19.285 -12.152 1.00 0.00 H new ATOM 641 N LEU A 44 2.277 17.848 -11.077 1.00 0.00 N ATOM 642 CA LEU A 44 3.618 17.446 -11.484 1.00 0.00 C ATOM 643 C LEU A 44 3.669 15.952 -11.792 1.00 0.00 C ATOM 644 O LEU A 44 2.718 15.219 -11.520 1.00 0.00 O ATOM 645 CB LEU A 44 4.629 17.787 -10.388 1.00 0.00 C ATOM 646 CG LEU A 44 4.735 19.264 -10.010 1.00 0.00 C ATOM 647 CD1 LEU A 44 5.602 19.437 -8.772 1.00 0.00 C ATOM 648 CD2 LEU A 44 5.293 20.074 -11.171 1.00 0.00 C ATOM 0 H LEU A 44 2.076 17.704 -10.087 1.00 0.00 H new ATOM 0 HA LEU A 44 3.875 17.994 -12.390 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.370 17.221 -9.493 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.612 17.443 -10.709 1.00 0.00 H new ATOM 0 HG LEU A 44 3.735 19.633 -9.783 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.666 20.495 -8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.160 18.890 -7.939 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.602 19.050 -8.971 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.361 21.123 -10.883 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.285 19.703 -11.430 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.633 19.976 -12.033 1.00 0.00 H new ATOM 660 N LYS A 45 4.785 15.507 -12.357 1.00 0.00 N ATOM 661 CA LYS A 45 4.963 14.101 -12.699 1.00 0.00 C ATOM 662 C LYS A 45 5.761 13.376 -11.620 1.00 0.00 C ATOM 663 O LYS A 45 6.410 12.365 -11.889 1.00 0.00 O ATOM 664 CB LYS A 45 5.672 13.968 -14.049 1.00 0.00 C ATOM 665 CG LYS A 45 5.425 15.140 -14.983 1.00 0.00 C ATOM 666 CD LYS A 45 6.298 15.057 -16.224 1.00 0.00 C ATOM 667 CE LYS A 45 7.626 15.770 -16.019 1.00 0.00 C ATOM 668 NZ LYS A 45 8.668 14.856 -15.474 1.00 0.00 N ATOM 0 H LYS A 45 5.582 16.101 -12.588 1.00 0.00 H new ATOM 0 HA LYS A 45 3.977 13.642 -12.767 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.744 13.869 -13.879 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.341 13.050 -14.535 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.375 15.158 -15.276 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.625 16.074 -14.458 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.480 14.012 -16.473 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.773 15.500 -17.070 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.966 16.184 -16.968 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.486 16.609 -15.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.608 15.182 -15.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.620 14.855 -14.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.505 13.892 -15.829 1.00 0.00 H new ATOM 682 N ILE A 46 5.708 13.898 -10.399 1.00 0.00 N ATOM 683 CA ILE A 46 6.424 13.298 -9.280 1.00 0.00 C ATOM 684 C ILE A 46 6.487 11.781 -9.418 1.00 0.00 C ATOM 685 O ILE A 46 5.483 11.130 -9.709 1.00 0.00 O ATOM 686 CB ILE A 46 5.764 13.653 -7.935 1.00 0.00 C ATOM 687 CG1 ILE A 46 5.747 15.170 -7.735 1.00 0.00 C ATOM 688 CG2 ILE A 46 6.497 12.971 -6.789 1.00 0.00 C ATOM 689 CD1 ILE A 46 7.120 15.767 -7.517 1.00 0.00 C ATOM 0 H ILE A 46 5.177 14.735 -10.160 1.00 0.00 H new ATOM 0 HA ILE A 46 7.435 13.704 -9.298 1.00 0.00 H new ATOM 0 HB ILE A 46 4.735 13.295 -7.947 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.291 15.638 -8.607 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.116 15.408 -6.879 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.019 13.232 -5.845 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.463 11.890 -6.927 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.535 13.302 -6.773 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.031 16.845 -7.383 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.571 15.327 -6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.748 15.560 -8.383 1.00 0.00 H new ATOM 701 N THR A 47 7.675 11.222 -9.206 1.00 0.00 N ATOM 702 CA THR A 47 7.870 9.781 -9.305 1.00 0.00 C ATOM 703 C THR A 47 7.811 9.122 -7.932 1.00 0.00 C ATOM 704 O THR A 47 8.172 9.731 -6.925 1.00 0.00 O ATOM 705 CB THR A 47 9.218 9.441 -9.968 1.00 0.00 C ATOM 706 OG1 THR A 47 9.346 10.145 -11.208 1.00 0.00 O ATOM 707 CG2 THR A 47 9.339 7.945 -10.213 1.00 0.00 C ATOM 0 H THR A 47 8.516 11.746 -8.965 1.00 0.00 H new ATOM 0 HA THR A 47 7.061 9.395 -9.925 1.00 0.00 H new ATOM 0 HB THR A 47 10.017 9.748 -9.293 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.206 9.925 -11.622 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.299 7.730 -10.682 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.272 7.414 -9.263 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.533 7.617 -10.870 1.00 0.00 H new ATOM 715 N TYR A 48 7.354 7.875 -7.899 1.00 0.00 N ATOM 716 CA TYR A 48 7.247 7.134 -6.648 1.00 0.00 C ATOM 717 C TYR A 48 8.219 5.958 -6.625 1.00 0.00 C ATOM 718 O TYR A 48 8.709 5.522 -7.667 1.00 0.00 O ATOM 719 CB TYR A 48 5.816 6.630 -6.451 1.00 0.00 C ATOM 720 CG TYR A 48 4.759 7.634 -6.853 1.00 0.00 C ATOM 721 CD1 TYR A 48 4.690 8.880 -6.241 1.00 0.00 C ATOM 722 CD2 TYR A 48 3.831 7.337 -7.842 1.00 0.00 C ATOM 723 CE1 TYR A 48 3.726 9.801 -6.604 1.00 0.00 C ATOM 724 CE2 TYR A 48 2.864 8.252 -8.213 1.00 0.00 C ATOM 725 CZ TYR A 48 2.816 9.482 -7.591 1.00 0.00 C ATOM 726 OH TYR A 48 1.854 10.396 -7.956 1.00 0.00 O ATOM 0 H TYR A 48 7.052 7.356 -8.724 1.00 0.00 H new ATOM 0 HA TYR A 48 7.504 7.810 -5.832 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.678 5.718 -7.031 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.674 6.366 -5.403 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.402 9.133 -5.469 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.865 6.374 -8.330 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.685 10.765 -6.118 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.150 8.005 -8.985 1.00 0.00 H new ATOM 0 HH TYR A 48 0.967 10.043 -7.736 1.00 0.00 H new ATOM 736 N LYS A 49 8.494 5.449 -5.429 1.00 0.00 N ATOM 737 CA LYS A 49 9.406 4.323 -5.268 1.00 0.00 C ATOM 738 C LYS A 49 9.094 3.549 -3.991 1.00 0.00 C ATOM 739 O LYS A 49 8.480 4.081 -3.066 1.00 0.00 O ATOM 740 CB LYS A 49 10.855 4.815 -5.237 1.00 0.00 C ATOM 741 CG LYS A 49 11.864 3.760 -5.660 1.00 0.00 C ATOM 742 CD LYS A 49 13.216 4.377 -5.977 1.00 0.00 C ATOM 743 CE LYS A 49 13.971 4.746 -4.709 1.00 0.00 C ATOM 744 NZ LYS A 49 14.873 5.913 -4.921 1.00 0.00 N ATOM 0 H LYS A 49 8.098 5.799 -4.556 1.00 0.00 H new ATOM 0 HA LYS A 49 9.273 3.655 -6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.950 5.681 -5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.094 5.151 -4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.977 3.023 -4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.491 3.229 -6.536 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.809 3.675 -6.564 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.076 5.267 -6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.259 4.976 -3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.557 3.890 -4.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.514 6.008 -4.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.431 5.768 -5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.304 6.778 -5.017 1.00 0.00 H new ATOM 758 N TYR A 50 9.521 2.292 -3.948 1.00 0.00 N ATOM 759 CA TYR A 50 9.286 1.445 -2.785 1.00 0.00 C ATOM 760 C TYR A 50 10.515 0.595 -2.473 1.00 0.00 C ATOM 761 O TYR A 50 10.877 -0.300 -3.237 1.00 0.00 O ATOM 762 CB TYR A 50 8.075 0.542 -3.022 1.00 0.00 C ATOM 763 CG TYR A 50 6.750 1.257 -2.882 1.00 0.00 C ATOM 764 CD1 TYR A 50 6.170 1.448 -1.634 1.00 0.00 C ATOM 765 CD2 TYR A 50 6.079 1.742 -3.998 1.00 0.00 C ATOM 766 CE1 TYR A 50 4.959 2.100 -1.502 1.00 0.00 C ATOM 767 CE2 TYR A 50 4.869 2.396 -3.875 1.00 0.00 C ATOM 768 CZ TYR A 50 4.313 2.573 -2.625 1.00 0.00 C ATOM 769 OH TYR A 50 3.107 3.224 -2.498 1.00 0.00 O ATOM 0 H TYR A 50 10.032 1.837 -4.705 1.00 0.00 H new ATOM 0 HA TYR A 50 9.087 2.092 -1.930 1.00 0.00 H new ATOM 0 HB2 TYR A 50 8.143 0.112 -4.022 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.107 -0.288 -2.316 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.674 1.081 -0.752 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.511 1.605 -4.978 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.521 2.238 -0.525 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.361 2.767 -4.753 1.00 0.00 H new ATOM 0 HH TYR A 50 3.072 3.682 -1.632 1.00 0.00 H new ATOM 779 N THR A 51 11.152 0.882 -1.342 1.00 0.00 N ATOM 780 CA THR A 51 12.340 0.146 -0.927 1.00 0.00 C ATOM 781 C THR A 51 12.052 -0.718 0.296 1.00 0.00 C ATOM 782 O THR A 51 11.662 -0.213 1.347 1.00 0.00 O ATOM 783 CB THR A 51 13.507 1.099 -0.604 1.00 0.00 C ATOM 784 OG1 THR A 51 13.128 1.999 0.443 1.00 0.00 O ATOM 785 CG2 THR A 51 13.916 1.889 -1.837 1.00 0.00 C ATOM 0 H THR A 51 10.865 1.619 -0.697 1.00 0.00 H new ATOM 0 HA THR A 51 12.623 -0.494 -1.763 1.00 0.00 H new ATOM 0 HB THR A 51 14.358 0.501 -0.277 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.439 1.581 1.000 1.00 0.00 H new ATOM 0 HG21 THR A 51 14.741 2.555 -1.585 1.00 0.00 H new ATOM 0 HG22 THR A 51 14.231 1.201 -2.622 1.00 0.00 H new ATOM 0 HG23 THR A 51 13.069 2.478 -2.189 1.00 0.00 H new ATOM 793 N GLY A 52 12.248 -2.026 0.150 1.00 0.00 N ATOM 794 CA GLY A 52 12.004 -2.939 1.251 1.00 0.00 C ATOM 795 C GLY A 52 12.194 -4.390 0.853 1.00 0.00 C ATOM 796 O GLY A 52 13.258 -4.774 0.366 1.00 0.00 O ATOM 0 H GLY A 52 12.571 -2.468 -0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.678 -2.700 2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.988 -2.796 1.619 1.00 0.00 H new ATOM 800 N LYS A 53 11.161 -5.199 1.062 1.00 0.00 N ATOM 801 CA LYS A 53 11.218 -6.616 0.723 1.00 0.00 C ATOM 802 C LYS A 53 10.322 -6.925 -0.472 1.00 0.00 C ATOM 803 O LYS A 53 9.219 -6.393 -0.587 1.00 0.00 O ATOM 804 CB LYS A 53 10.797 -7.466 1.924 1.00 0.00 C ATOM 805 CG LYS A 53 11.106 -8.944 1.760 1.00 0.00 C ATOM 806 CD LYS A 53 10.176 -9.804 2.600 1.00 0.00 C ATOM 807 CE LYS A 53 10.606 -9.829 4.059 1.00 0.00 C ATOM 808 NZ LYS A 53 10.314 -8.541 4.746 1.00 0.00 N ATOM 0 H LYS A 53 10.274 -4.897 1.465 1.00 0.00 H new ATOM 0 HA LYS A 53 12.246 -6.860 0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.301 -7.095 2.816 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.727 -7.343 2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.012 -9.222 0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.140 -9.135 2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.158 -9.421 2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.163 -10.820 2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.092 -10.640 4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.674 -10.039 4.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.997 -8.730 5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.174 -7.957 4.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.566 -8.035 4.231 1.00 0.00 H new ATOM 822 N GLY A 54 10.803 -7.792 -1.359 1.00 0.00 N ATOM 823 CA GLY A 54 10.031 -8.158 -2.532 1.00 0.00 C ATOM 824 C GLY A 54 10.529 -7.474 -3.790 1.00 0.00 C ATOM 825 O GLY A 54 10.599 -8.091 -4.853 1.00 0.00 O ATOM 0 H GLY A 54 11.713 -8.247 -1.286 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.073 -9.239 -2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.985 -7.898 -2.370 1.00 0.00 H new ATOM 829 N ILE A 55 10.874 -6.196 -3.670 1.00 0.00 N ATOM 830 CA ILE A 55 11.367 -5.428 -4.806 1.00 0.00 C ATOM 831 C ILE A 55 12.891 -5.425 -4.848 1.00 0.00 C ATOM 832 O ILE A 55 13.496 -5.723 -5.878 1.00 0.00 O ATOM 833 CB ILE A 55 10.862 -3.974 -4.764 1.00 0.00 C ATOM 834 CG1 ILE A 55 9.332 -3.941 -4.762 1.00 0.00 C ATOM 835 CG2 ILE A 55 11.412 -3.188 -5.945 1.00 0.00 C ATOM 836 CD1 ILE A 55 8.756 -2.667 -4.184 1.00 0.00 C ATOM 0 H ILE A 55 10.821 -5.671 -2.797 1.00 0.00 H new ATOM 0 HA ILE A 55 10.983 -5.911 -5.704 1.00 0.00 H new ATOM 0 HB ILE A 55 11.218 -3.509 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.973 -4.062 -5.784 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.959 -4.791 -4.190 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.046 -2.162 -5.901 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.501 -3.187 -5.906 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.083 -3.651 -6.875 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.667 -2.713 -4.215 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.086 -2.554 -3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.099 -1.814 -4.769 1.00 0.00 H new ATOM 848 N THR A 56 13.508 -5.087 -3.720 1.00 0.00 N ATOM 849 CA THR A 56 14.962 -5.045 -3.627 1.00 0.00 C ATOM 850 C THR A 56 15.508 -6.314 -2.981 1.00 0.00 C ATOM 851 O THR A 56 16.477 -6.898 -3.463 1.00 0.00 O ATOM 852 CB THR A 56 15.438 -3.825 -2.817 1.00 0.00 C ATOM 853 OG1 THR A 56 14.727 -3.752 -1.576 1.00 0.00 O ATOM 854 CG2 THR A 56 15.229 -2.539 -3.603 1.00 0.00 C ATOM 0 H THR A 56 13.023 -4.838 -2.858 1.00 0.00 H new ATOM 0 HA THR A 56 15.342 -4.966 -4.646 1.00 0.00 H new ATOM 0 HB THR A 56 16.503 -3.942 -2.618 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.037 -2.974 -1.067 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.572 -1.691 -3.011 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.795 -2.585 -4.533 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.169 -2.419 -3.829 1.00 0.00 H new ATOM 862 N GLU A 57 14.878 -6.734 -1.889 1.00 0.00 N ATOM 863 CA GLU A 57 15.303 -7.935 -1.177 1.00 0.00 C ATOM 864 C GLU A 57 14.429 -9.128 -1.554 1.00 0.00 C ATOM 865 O GLU A 57 13.262 -8.984 -1.921 1.00 0.00 O ATOM 866 CB GLU A 57 15.248 -7.705 0.334 1.00 0.00 C ATOM 867 CG GLU A 57 16.293 -6.725 0.840 1.00 0.00 C ATOM 868 CD GLU A 57 17.661 -7.360 0.995 1.00 0.00 C ATOM 869 OE1 GLU A 57 17.722 -8.559 1.339 1.00 0.00 O ATOM 870 OE2 GLU A 57 18.670 -6.659 0.773 1.00 0.00 O ATOM 0 H GLU A 57 14.073 -6.262 -1.478 1.00 0.00 H new ATOM 0 HA GLU A 57 16.331 -8.154 -1.466 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.257 -7.337 0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.381 -8.660 0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.363 -5.885 0.149 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.973 -6.322 1.801 1.00 0.00 H new ATOM 877 N PRO A 58 15.005 -10.335 -1.462 1.00 0.00 N ATOM 878 CA PRO A 58 14.298 -11.577 -1.788 1.00 0.00 C ATOM 879 C PRO A 58 13.212 -11.910 -0.771 1.00 0.00 C ATOM 880 O PRO A 58 13.250 -11.473 0.379 1.00 0.00 O ATOM 881 CB PRO A 58 15.404 -12.635 -1.754 1.00 0.00 C ATOM 882 CG PRO A 58 16.438 -12.072 -0.841 1.00 0.00 C ATOM 883 CD PRO A 58 16.392 -10.581 -1.031 1.00 0.00 C ATOM 0 HA PRO A 58 13.781 -11.512 -2.745 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.028 -13.589 -1.386 1.00 0.00 H new ATOM 0 HB3 PRO A 58 15.810 -12.815 -2.749 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.231 -12.340 0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.426 -12.465 -1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.626 -10.051 -0.108 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.111 -10.249 -1.780 1.00 0.00 H new ATOM 891 N PRO A 59 12.219 -12.702 -1.203 1.00 0.00 N ATOM 892 CA PRO A 59 12.162 -13.227 -2.570 1.00 0.00 C ATOM 893 C PRO A 59 11.872 -12.138 -3.598 1.00 0.00 C ATOM 894 O PRO A 59 11.096 -11.218 -3.340 1.00 0.00 O ATOM 895 CB PRO A 59 11.009 -14.232 -2.517 1.00 0.00 C ATOM 896 CG PRO A 59 10.145 -13.759 -1.399 1.00 0.00 C ATOM 897 CD PRO A 59 11.074 -13.145 -0.389 1.00 0.00 C ATOM 0 HA PRO A 59 13.112 -13.663 -2.878 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.460 -14.255 -3.459 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.373 -15.243 -2.335 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.415 -13.030 -1.751 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.585 -14.586 -0.962 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.605 -12.311 0.133 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.376 -13.867 0.370 1.00 0.00 H new ATOM 905 N PHE A 60 12.500 -12.249 -4.763 1.00 0.00 N ATOM 906 CA PHE A 60 12.309 -11.273 -5.830 1.00 0.00 C ATOM 907 C PHE A 60 11.116 -11.648 -6.703 1.00 0.00 C ATOM 908 O PHE A 60 10.839 -12.827 -6.923 1.00 0.00 O ATOM 909 CB PHE A 60 13.572 -11.171 -6.689 1.00 0.00 C ATOM 910 CG PHE A 60 14.730 -10.531 -5.978 1.00 0.00 C ATOM 911 CD1 PHE A 60 15.446 -11.232 -5.021 1.00 0.00 C ATOM 912 CD2 PHE A 60 15.103 -9.228 -6.268 1.00 0.00 C ATOM 913 CE1 PHE A 60 16.512 -10.646 -4.366 1.00 0.00 C ATOM 914 CE2 PHE A 60 16.168 -8.637 -5.616 1.00 0.00 C ATOM 915 CZ PHE A 60 16.873 -9.346 -4.663 1.00 0.00 C ATOM 0 H PHE A 60 13.146 -13.005 -4.993 1.00 0.00 H new ATOM 0 HA PHE A 60 12.111 -10.304 -5.371 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.863 -12.170 -7.014 1.00 0.00 H new ATOM 0 HB3 PHE A 60 13.345 -10.597 -7.587 1.00 0.00 H new ATOM 0 HD1 PHE A 60 15.168 -12.248 -4.784 1.00 0.00 H new ATOM 0 HD2 PHE A 60 14.555 -8.669 -7.012 1.00 0.00 H new ATOM 0 HE1 PHE A 60 17.062 -11.204 -3.623 1.00 0.00 H new ATOM 0 HE2 PHE A 60 16.449 -7.621 -5.851 1.00 0.00 H new ATOM 0 HZ PHE A 60 17.705 -8.885 -4.151 1.00 0.00 H new ATOM 925 N GLY A 61 10.411 -10.635 -7.199 1.00 0.00 N ATOM 926 CA GLY A 61 9.254 -10.878 -8.041 1.00 0.00 C ATOM 927 C GLY A 61 7.978 -11.042 -7.241 1.00 0.00 C ATOM 928 O GLY A 61 7.139 -11.884 -7.563 1.00 0.00 O ATOM 0 H GLY A 61 10.621 -9.651 -7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.137 -10.050 -8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.424 -11.775 -8.636 1.00 0.00 H new ATOM 932 N ILE A 62 7.830 -10.236 -6.194 1.00 0.00 N ATOM 933 CA ILE A 62 6.647 -10.296 -5.346 1.00 0.00 C ATOM 934 C ILE A 62 5.664 -9.183 -5.693 1.00 0.00 C ATOM 935 O ILE A 62 4.477 -9.432 -5.908 1.00 0.00 O ATOM 936 CB ILE A 62 7.017 -10.191 -3.855 1.00 0.00 C ATOM 937 CG1 ILE A 62 7.983 -11.312 -3.467 1.00 0.00 C ATOM 938 CG2 ILE A 62 5.765 -10.242 -2.993 1.00 0.00 C ATOM 939 CD1 ILE A 62 7.393 -12.697 -3.615 1.00 0.00 C ATOM 0 H ILE A 62 8.515 -9.534 -5.914 1.00 0.00 H new ATOM 0 HA ILE A 62 6.177 -11.263 -5.529 1.00 0.00 H new ATOM 0 HB ILE A 62 7.512 -9.235 -3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.878 -11.239 -4.085 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.297 -11.168 -2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.044 -10.167 -1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.109 -9.412 -3.255 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.244 -11.184 -3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.134 -13.441 -3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.515 -12.789 -2.976 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.105 -12.861 -4.653 1.00 0.00 H new ATOM 951 N PHE A 63 6.166 -7.954 -5.749 1.00 0.00 N ATOM 952 CA PHE A 63 5.333 -6.802 -6.072 1.00 0.00 C ATOM 953 C PHE A 63 5.907 -6.030 -7.256 1.00 0.00 C ATOM 954 O PHE A 63 7.080 -6.181 -7.601 1.00 0.00 O ATOM 955 CB PHE A 63 5.210 -5.879 -4.858 1.00 0.00 C ATOM 956 CG PHE A 63 4.659 -6.562 -3.639 1.00 0.00 C ATOM 957 CD1 PHE A 63 3.316 -6.893 -3.561 1.00 0.00 C ATOM 958 CD2 PHE A 63 5.485 -6.873 -2.570 1.00 0.00 C ATOM 959 CE1 PHE A 63 2.807 -7.521 -2.440 1.00 0.00 C ATOM 960 CE2 PHE A 63 4.982 -7.501 -1.447 1.00 0.00 C ATOM 961 CZ PHE A 63 3.641 -7.827 -1.382 1.00 0.00 C ATOM 0 H PHE A 63 7.146 -7.730 -5.575 1.00 0.00 H new ATOM 0 HA PHE A 63 4.343 -7.166 -6.345 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.192 -5.469 -4.622 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.567 -5.037 -5.115 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.659 -6.658 -4.386 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.534 -6.621 -2.616 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.758 -7.772 -2.391 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.636 -7.737 -0.621 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.246 -8.320 -0.506 1.00 0.00 H new ATOM 971 N VAL A 64 5.073 -5.201 -7.875 1.00 0.00 N ATOM 972 CA VAL A 64 5.497 -4.404 -9.020 1.00 0.00 C ATOM 973 C VAL A 64 4.892 -3.005 -8.970 1.00 0.00 C ATOM 974 O VAL A 64 3.707 -2.840 -8.683 1.00 0.00 O ATOM 975 CB VAL A 64 5.101 -5.075 -10.349 1.00 0.00 C ATOM 976 CG1 VAL A 64 5.736 -6.453 -10.461 1.00 0.00 C ATOM 977 CG2 VAL A 64 3.587 -5.166 -10.469 1.00 0.00 C ATOM 0 H VAL A 64 4.100 -5.064 -7.603 1.00 0.00 H new ATOM 0 HA VAL A 64 6.583 -4.329 -8.969 1.00 0.00 H new ATOM 0 HB VAL A 64 5.472 -4.462 -11.170 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.445 -6.912 -11.406 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.821 -6.358 -10.423 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.397 -7.078 -9.635 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.325 -5.643 -11.414 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.191 -5.756 -9.643 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.159 -4.164 -10.437 1.00 0.00 H new ATOM 987 N PHE A 65 5.715 -2.001 -9.253 1.00 0.00 N ATOM 988 CA PHE A 65 5.262 -0.615 -9.240 1.00 0.00 C ATOM 989 C PHE A 65 5.719 0.119 -10.498 1.00 0.00 C ATOM 990 O PHE A 65 6.488 -0.416 -11.296 1.00 0.00 O ATOM 991 CB PHE A 65 5.788 0.105 -7.997 1.00 0.00 C ATOM 992 CG PHE A 65 7.236 0.492 -8.096 1.00 0.00 C ATOM 993 CD1 PHE A 65 8.232 -0.463 -7.972 1.00 0.00 C ATOM 994 CD2 PHE A 65 7.600 1.811 -8.314 1.00 0.00 C ATOM 995 CE1 PHE A 65 9.565 -0.109 -8.062 1.00 0.00 C ATOM 996 CE2 PHE A 65 8.932 2.171 -8.405 1.00 0.00 C ATOM 997 CZ PHE A 65 9.915 1.210 -8.280 1.00 0.00 C ATOM 0 H PHE A 65 6.699 -2.121 -9.494 1.00 0.00 H new ATOM 0 HA PHE A 65 4.172 -0.616 -9.217 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.192 1.001 -7.826 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.651 -0.539 -7.128 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.964 -1.495 -7.803 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.835 2.566 -8.414 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.332 -0.862 -7.962 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.203 3.203 -8.574 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.956 1.488 -8.352 1.00 0.00 H new ATOM 1007 N ASN A 66 5.240 1.347 -10.666 1.00 0.00 N ATOM 1008 CA ASN A 66 5.598 2.155 -11.827 1.00 0.00 C ATOM 1009 C ASN A 66 5.600 3.640 -11.477 1.00 0.00 C ATOM 1010 O ASN A 66 5.167 4.034 -10.394 1.00 0.00 O ATOM 1011 CB ASN A 66 4.625 1.892 -12.978 1.00 0.00 C ATOM 1012 CG ASN A 66 5.274 2.071 -14.336 1.00 0.00 C ATOM 1013 OD1 ASN A 66 5.874 1.142 -14.877 1.00 0.00 O ATOM 1014 ND2 ASN A 66 5.157 3.270 -14.894 1.00 0.00 N ATOM 0 H ASN A 66 4.603 1.805 -10.014 1.00 0.00 H new ATOM 0 HA ASN A 66 6.603 1.872 -12.139 1.00 0.00 H new ATOM 0 HB2 ASN A 66 4.235 0.878 -12.896 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.775 2.568 -12.893 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.574 3.450 -15.807 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.651 4.011 -14.409 1.00 0.00 H new ATOM 1021 N LYS A 67 6.089 4.459 -12.401 1.00 0.00 N ATOM 1022 CA LYS A 67 6.146 5.901 -12.193 1.00 0.00 C ATOM 1023 C LYS A 67 5.149 6.621 -13.094 1.00 0.00 C ATOM 1024 O LYS A 67 4.438 7.524 -12.653 1.00 0.00 O ATOM 1025 CB LYS A 67 7.560 6.421 -12.462 1.00 0.00 C ATOM 1026 CG LYS A 67 8.040 6.171 -13.882 1.00 0.00 C ATOM 1027 CD LYS A 67 9.549 6.308 -13.992 1.00 0.00 C ATOM 1028 CE LYS A 67 9.996 6.387 -15.444 1.00 0.00 C ATOM 1029 NZ LYS A 67 11.466 6.596 -15.561 1.00 0.00 N ATOM 0 H LYS A 67 6.452 4.149 -13.302 1.00 0.00 H new ATOM 0 HA LYS A 67 5.882 6.103 -11.155 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.589 7.492 -12.261 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.251 5.947 -11.765 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.740 5.172 -14.198 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.559 6.877 -14.559 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.874 7.203 -13.461 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.029 5.458 -13.508 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.718 5.468 -15.960 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.472 7.203 -15.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.731 6.644 -16.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.729 7.485 -15.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.966 5.804 -15.109 1.00 0.00 H new ATOM 1043 N ASP A 68 5.100 6.214 -14.358 1.00 0.00 N ATOM 1044 CA ASP A 68 4.187 6.819 -15.321 1.00 0.00 C ATOM 1045 C ASP A 68 2.739 6.673 -14.863 1.00 0.00 C ATOM 1046 O ASP A 68 2.024 7.662 -14.701 1.00 0.00 O ATOM 1047 CB ASP A 68 4.366 6.178 -16.698 1.00 0.00 C ATOM 1048 CG ASP A 68 3.732 6.997 -17.805 1.00 0.00 C ATOM 1049 OD1 ASP A 68 2.531 6.793 -18.079 1.00 0.00 O ATOM 1050 OD2 ASP A 68 4.436 7.841 -18.397 1.00 0.00 O ATOM 0 H ASP A 68 5.682 5.468 -14.739 1.00 0.00 H new ATOM 0 HA ASP A 68 4.422 7.881 -15.390 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.430 6.057 -16.903 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.927 5.180 -16.691 1.00 0.00 H new ATOM 1055 N THR A 69 2.311 5.431 -14.657 1.00 0.00 N ATOM 1056 CA THR A 69 0.948 5.154 -14.221 1.00 0.00 C ATOM 1057 C THR A 69 0.813 5.307 -12.710 1.00 0.00 C ATOM 1058 O THR A 69 -0.158 5.880 -12.219 1.00 0.00 O ATOM 1059 CB THR A 69 0.507 3.734 -14.623 1.00 0.00 C ATOM 1060 OG1 THR A 69 -0.804 3.466 -14.114 1.00 0.00 O ATOM 1061 CG2 THR A 69 1.483 2.694 -14.095 1.00 0.00 C ATOM 0 H THR A 69 2.889 4.601 -14.785 1.00 0.00 H new ATOM 0 HA THR A 69 0.304 5.880 -14.717 1.00 0.00 H new ATOM 0 HB THR A 69 0.493 3.677 -15.711 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.078 2.562 -14.375 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.150 1.699 -14.392 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.474 2.883 -14.507 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.525 2.753 -13.007 1.00 0.00 H new ATOM 1069 N GLY A 70 1.796 4.792 -11.977 1.00 0.00 N ATOM 1070 CA GLY A 70 1.767 4.883 -10.529 1.00 0.00 C ATOM 1071 C GLY A 70 0.764 3.930 -9.908 1.00 0.00 C ATOM 1072 O GLY A 70 -0.412 4.262 -9.770 1.00 0.00 O ATOM 0 H GLY A 70 2.611 4.314 -12.360 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.760 4.668 -10.135 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.522 5.904 -10.237 1.00 0.00 H new ATOM 1076 N GLU A 71 1.231 2.743 -9.535 1.00 0.00 N ATOM 1077 CA GLU A 71 0.365 1.739 -8.928 1.00 0.00 C ATOM 1078 C GLU A 71 1.189 0.638 -8.266 1.00 0.00 C ATOM 1079 O GLU A 71 2.363 0.448 -8.586 1.00 0.00 O ATOM 1080 CB GLU A 71 -0.565 1.132 -9.981 1.00 0.00 C ATOM 1081 CG GLU A 71 0.151 0.251 -10.991 1.00 0.00 C ATOM 1082 CD GLU A 71 -0.808 -0.477 -11.913 1.00 0.00 C ATOM 1083 OE1 GLU A 71 -1.961 -0.719 -11.500 1.00 0.00 O ATOM 1084 OE2 GLU A 71 -0.404 -0.805 -13.048 1.00 0.00 O ATOM 0 H GLU A 71 2.203 2.453 -9.642 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.236 2.230 -8.162 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.333 0.544 -9.479 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.075 1.937 -10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.828 0.864 -11.587 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.764 -0.478 -10.461 1.00 0.00 H new ATOM 1091 N LEU A 72 0.566 -0.085 -7.342 1.00 0.00 N ATOM 1092 CA LEU A 72 1.241 -1.167 -6.634 1.00 0.00 C ATOM 1093 C LEU A 72 0.390 -2.433 -6.638 1.00 0.00 C ATOM 1094 O LEU A 72 -0.576 -2.546 -5.885 1.00 0.00 O ATOM 1095 CB LEU A 72 1.546 -0.749 -5.195 1.00 0.00 C ATOM 1096 CG LEU A 72 2.010 -1.863 -4.256 1.00 0.00 C ATOM 1097 CD1 LEU A 72 3.394 -2.353 -4.652 1.00 0.00 C ATOM 1098 CD2 LEU A 72 2.006 -1.380 -2.813 1.00 0.00 C ATOM 0 H LEU A 72 -0.405 0.058 -7.066 1.00 0.00 H new ATOM 0 HA LEU A 72 2.177 -1.378 -7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.315 0.023 -5.218 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.650 -0.295 -4.772 1.00 0.00 H new ATOM 0 HG LEU A 72 1.314 -2.697 -4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.708 -3.146 -3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.366 -2.739 -5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.102 -1.526 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.339 -2.186 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.680 -0.529 -2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.997 -1.079 -2.533 1.00 0.00 H new ATOM 1110 N ASN A 73 0.759 -3.385 -7.489 1.00 0.00 N ATOM 1111 CA ASN A 73 0.031 -4.645 -7.590 1.00 0.00 C ATOM 1112 C ASN A 73 0.917 -5.819 -7.187 1.00 0.00 C ATOM 1113 O ASN A 73 2.131 -5.794 -7.392 1.00 0.00 O ATOM 1114 CB ASN A 73 -0.485 -4.847 -9.016 1.00 0.00 C ATOM 1115 CG ASN A 73 -1.211 -3.626 -9.547 1.00 0.00 C ATOM 1116 OD1 ASN A 73 -1.699 -2.798 -8.778 1.00 0.00 O ATOM 1117 ND2 ASN A 73 -1.285 -3.510 -10.868 1.00 0.00 N ATOM 0 H ASN A 73 1.558 -3.308 -8.119 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.817 -4.602 -6.907 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.353 -5.082 -9.673 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.158 -5.704 -9.038 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.761 -2.710 -11.284 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.866 -4.221 -11.467 1.00 0.00 H new ATOM 1124 N VAL A 74 0.302 -6.847 -6.611 1.00 0.00 N ATOM 1125 CA VAL A 74 1.034 -8.032 -6.180 1.00 0.00 C ATOM 1126 C VAL A 74 1.050 -9.096 -7.273 1.00 0.00 C ATOM 1127 O VAL A 74 0.001 -9.515 -7.763 1.00 0.00 O ATOM 1128 CB VAL A 74 0.424 -8.635 -4.901 1.00 0.00 C ATOM 1129 CG1 VAL A 74 -1.006 -9.090 -5.155 1.00 0.00 C ATOM 1130 CG2 VAL A 74 1.277 -9.788 -4.396 1.00 0.00 C ATOM 0 H VAL A 74 -0.702 -6.883 -6.432 1.00 0.00 H new ATOM 0 HA VAL A 74 2.055 -7.714 -5.971 1.00 0.00 H new ATOM 0 HB VAL A 74 0.404 -7.864 -4.131 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.421 -9.513 -4.240 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.609 -8.237 -5.466 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.013 -9.846 -5.940 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.831 -10.202 -3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.332 -10.563 -5.161 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.281 -9.427 -4.173 1.00 0.00 H new ATOM 1140 N THR A 75 2.249 -9.530 -7.651 1.00 0.00 N ATOM 1141 CA THR A 75 2.402 -10.545 -8.686 1.00 0.00 C ATOM 1142 C THR A 75 2.938 -11.848 -8.103 1.00 0.00 C ATOM 1143 O THR A 75 3.696 -12.565 -8.755 1.00 0.00 O ATOM 1144 CB THR A 75 3.349 -10.068 -9.803 1.00 0.00 C ATOM 1145 OG1 THR A 75 4.614 -9.693 -9.247 1.00 0.00 O ATOM 1146 CG2 THR A 75 2.750 -8.889 -10.554 1.00 0.00 C ATOM 0 H THR A 75 3.127 -9.194 -7.256 1.00 0.00 H new ATOM 0 HA THR A 75 1.412 -10.719 -9.108 1.00 0.00 H new ATOM 0 HB THR A 75 3.491 -10.891 -10.504 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.210 -9.392 -9.964 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.437 -8.570 -11.338 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.802 -9.187 -11.002 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.581 -8.064 -9.862 1.00 0.00 H new ATOM 1154 N SER A 76 2.537 -12.149 -6.872 1.00 0.00 N ATOM 1155 CA SER A 76 2.979 -13.365 -6.200 1.00 0.00 C ATOM 1156 C SER A 76 2.037 -13.727 -5.056 1.00 0.00 C ATOM 1157 O SER A 76 1.344 -12.866 -4.513 1.00 0.00 O ATOM 1158 CB SER A 76 4.403 -13.190 -5.668 1.00 0.00 C ATOM 1159 OG SER A 76 4.999 -14.444 -5.386 1.00 0.00 O ATOM 0 H SER A 76 1.907 -11.567 -6.320 1.00 0.00 H new ATOM 0 HA SER A 76 2.968 -14.177 -6.927 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.005 -12.654 -6.401 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.385 -12.581 -4.764 1.00 0.00 H new ATOM 0 HG SER A 76 5.938 -14.431 -5.668 1.00 0.00 H new ATOM 1165 N ILE A 77 2.019 -15.005 -4.695 1.00 0.00 N ATOM 1166 CA ILE A 77 1.163 -15.481 -3.615 1.00 0.00 C ATOM 1167 C ILE A 77 1.856 -15.342 -2.263 1.00 0.00 C ATOM 1168 O ILE A 77 2.754 -16.115 -1.931 1.00 0.00 O ATOM 1169 CB ILE A 77 0.760 -16.953 -3.823 1.00 0.00 C ATOM 1170 CG1 ILE A 77 0.109 -17.137 -5.195 1.00 0.00 C ATOM 1171 CG2 ILE A 77 -0.183 -17.405 -2.718 1.00 0.00 C ATOM 1172 CD1 ILE A 77 -1.304 -16.604 -5.270 1.00 0.00 C ATOM 0 H ILE A 77 2.587 -15.730 -5.134 1.00 0.00 H new ATOM 0 HA ILE A 77 0.266 -14.862 -3.627 1.00 0.00 H new ATOM 0 HB ILE A 77 1.658 -17.570 -3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.718 -16.636 -5.947 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.102 -18.198 -5.446 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.459 -18.447 -2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.314 -17.306 -1.753 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.080 -16.786 -2.730 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.702 -16.769 -6.271 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.928 -17.122 -4.542 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.302 -15.536 -5.051 1.00 0.00 H new ATOM 1184 N LEU A 78 1.430 -14.351 -1.487 1.00 0.00 N ATOM 1185 CA LEU A 78 2.008 -14.110 -0.169 1.00 0.00 C ATOM 1186 C LEU A 78 2.203 -15.420 0.587 1.00 0.00 C ATOM 1187 O LEU A 78 1.378 -16.330 0.497 1.00 0.00 O ATOM 1188 CB LEU A 78 1.111 -13.171 0.639 1.00 0.00 C ATOM 1189 CG LEU A 78 0.673 -11.888 -0.069 1.00 0.00 C ATOM 1190 CD1 LEU A 78 -0.284 -11.095 0.808 1.00 0.00 C ATOM 1191 CD2 LEU A 78 1.884 -11.044 -0.439 1.00 0.00 C ATOM 0 H LEU A 78 0.687 -13.702 -1.747 1.00 0.00 H new ATOM 0 HA LEU A 78 2.983 -13.642 -0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.218 -13.721 0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.637 -12.896 1.554 1.00 0.00 H new ATOM 0 HG LEU A 78 0.151 -12.161 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.585 -10.185 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.166 -11.699 1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.212 -10.832 1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.554 -10.135 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.433 -10.780 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.533 -11.612 -1.105 1.00 0.00 H new ATOM 1203 N ASP A 79 3.298 -15.509 1.334 1.00 0.00 N ATOM 1204 CA ASP A 79 3.601 -16.706 2.110 1.00 0.00 C ATOM 1205 C ASP A 79 3.891 -16.352 3.565 1.00 0.00 C ATOM 1206 O ASP A 79 5.048 -16.295 3.981 1.00 0.00 O ATOM 1207 CB ASP A 79 4.795 -17.444 1.503 1.00 0.00 C ATOM 1208 CG ASP A 79 4.424 -18.218 0.254 1.00 0.00 C ATOM 1209 OD1 ASP A 79 3.345 -18.847 0.243 1.00 0.00 O ATOM 1210 OD2 ASP A 79 5.213 -18.194 -0.714 1.00 0.00 O ATOM 0 H ASP A 79 3.991 -14.766 1.419 1.00 0.00 H new ATOM 0 HA ASP A 79 2.728 -17.358 2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.578 -16.725 1.262 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.208 -18.130 2.242 1.00 0.00 H new ATOM 1215 N ARG A 80 2.832 -16.115 4.333 1.00 0.00 N ATOM 1216 CA ARG A 80 2.973 -15.764 5.741 1.00 0.00 C ATOM 1217 C ARG A 80 4.021 -16.643 6.418 1.00 0.00 C ATOM 1218 O ARG A 80 4.950 -16.141 7.051 1.00 0.00 O ATOM 1219 CB ARG A 80 1.631 -15.906 6.461 1.00 0.00 C ATOM 1220 CG ARG A 80 1.676 -15.487 7.921 1.00 0.00 C ATOM 1221 CD ARG A 80 0.380 -15.829 8.639 1.00 0.00 C ATOM 1222 NE ARG A 80 0.304 -17.246 8.985 1.00 0.00 N ATOM 1223 CZ ARG A 80 0.873 -17.771 10.064 1.00 0.00 C ATOM 1224 NH1 ARG A 80 1.557 -17.000 10.898 1.00 0.00 N ATOM 1225 NH2 ARG A 80 0.759 -19.070 10.310 1.00 0.00 N ATOM 0 H ARG A 80 1.868 -16.160 4.004 1.00 0.00 H new ATOM 0 HA ARG A 80 3.301 -14.726 5.800 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.884 -15.305 5.942 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.303 -16.944 6.400 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.510 -15.983 8.417 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.858 -14.414 7.987 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.299 -15.230 9.546 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.466 -15.565 8.005 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.215 -17.867 8.364 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.647 -16.001 10.712 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.993 -17.406 11.726 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.234 -19.666 9.670 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.196 -19.472 11.139 1.00 0.00 H new ATOM 1239 N GLU A 81 3.865 -17.956 6.279 1.00 0.00 N ATOM 1240 CA GLU A 81 4.797 -18.903 6.879 1.00 0.00 C ATOM 1241 C GLU A 81 6.218 -18.347 6.871 1.00 0.00 C ATOM 1242 O GLU A 81 6.971 -18.530 7.826 1.00 0.00 O ATOM 1243 CB GLU A 81 4.755 -20.237 6.130 1.00 0.00 C ATOM 1244 CG GLU A 81 5.065 -20.112 4.647 1.00 0.00 C ATOM 1245 CD GLU A 81 5.195 -21.460 3.963 1.00 0.00 C ATOM 1246 OE1 GLU A 81 6.312 -22.017 3.955 1.00 0.00 O ATOM 1247 OE2 GLU A 81 4.177 -21.957 3.436 1.00 0.00 O ATOM 0 H GLU A 81 3.103 -18.387 5.757 1.00 0.00 H new ATOM 0 HA GLU A 81 4.495 -19.065 7.914 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.470 -20.923 6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.767 -20.681 6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.276 -19.537 4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.992 -19.553 4.519 1.00 0.00 H new ATOM 1254 N GLU A 82 6.576 -17.669 5.785 1.00 0.00 N ATOM 1255 CA GLU A 82 7.906 -17.088 5.653 1.00 0.00 C ATOM 1256 C GLU A 82 7.866 -15.579 5.879 1.00 0.00 C ATOM 1257 O GLU A 82 8.557 -15.051 6.751 1.00 0.00 O ATOM 1258 CB GLU A 82 8.484 -17.392 4.269 1.00 0.00 C ATOM 1259 CG GLU A 82 9.790 -16.668 3.982 1.00 0.00 C ATOM 1260 CD GLU A 82 10.466 -17.164 2.719 1.00 0.00 C ATOM 1261 OE1 GLU A 82 10.519 -18.396 2.519 1.00 0.00 O ATOM 1262 OE2 GLU A 82 10.942 -16.321 1.930 1.00 0.00 O ATOM 0 H GLU A 82 5.964 -17.509 4.985 1.00 0.00 H new ATOM 0 HA GLU A 82 8.547 -17.535 6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.647 -18.466 4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.751 -17.117 3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.596 -15.599 3.890 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.466 -16.798 4.827 1.00 0.00 H new ATOM 1269 N THR A 83 7.052 -14.889 5.086 1.00 0.00 N ATOM 1270 CA THR A 83 6.922 -13.442 5.197 1.00 0.00 C ATOM 1271 C THR A 83 5.593 -13.056 5.837 1.00 0.00 C ATOM 1272 O THR A 83 4.601 -12.797 5.156 1.00 0.00 O ATOM 1273 CB THR A 83 7.033 -12.760 3.820 1.00 0.00 C ATOM 1274 OG1 THR A 83 6.052 -13.299 2.927 1.00 0.00 O ATOM 1275 CG2 THR A 83 8.422 -12.952 3.231 1.00 0.00 C ATOM 0 H THR A 83 6.473 -15.310 4.360 1.00 0.00 H new ATOM 0 HA THR A 83 7.740 -13.100 5.831 1.00 0.00 H new ATOM 0 HB THR A 83 6.857 -11.693 3.952 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.714 -12.587 2.344 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.476 -12.462 2.259 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.164 -12.515 3.899 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.623 -14.017 3.112 1.00 0.00 H new ATOM 1283 N PRO A 84 5.570 -13.017 7.178 1.00 0.00 N ATOM 1284 CA PRO A 84 4.369 -12.663 7.939 1.00 0.00 C ATOM 1285 C PRO A 84 4.002 -11.190 7.792 1.00 0.00 C ATOM 1286 O PRO A 84 2.878 -10.787 8.089 1.00 0.00 O ATOM 1287 CB PRO A 84 4.760 -12.975 9.385 1.00 0.00 C ATOM 1288 CG PRO A 84 6.246 -12.862 9.408 1.00 0.00 C ATOM 1289 CD PRO A 84 6.716 -13.315 8.053 1.00 0.00 C ATOM 0 HA PRO A 84 3.492 -13.210 7.593 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.299 -12.273 10.080 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.434 -13.973 9.677 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.556 -11.836 9.606 1.00 0.00 H new ATOM 0 HG3 PRO A 84 6.673 -13.482 10.197 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.612 -12.779 7.739 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.961 -14.377 8.047 1.00 0.00 H new ATOM 1297 N PHE A 85 4.959 -10.391 7.331 1.00 0.00 N ATOM 1298 CA PHE A 85 4.736 -8.961 7.145 1.00 0.00 C ATOM 1299 C PHE A 85 5.600 -8.420 6.009 1.00 0.00 C ATOM 1300 O PHE A 85 6.673 -8.951 5.723 1.00 0.00 O ATOM 1301 CB PHE A 85 5.042 -8.203 8.438 1.00 0.00 C ATOM 1302 CG PHE A 85 6.510 -8.076 8.727 1.00 0.00 C ATOM 1303 CD1 PHE A 85 7.323 -9.198 8.756 1.00 0.00 C ATOM 1304 CD2 PHE A 85 7.078 -6.836 8.967 1.00 0.00 C ATOM 1305 CE1 PHE A 85 8.675 -9.084 9.022 1.00 0.00 C ATOM 1306 CE2 PHE A 85 8.429 -6.715 9.233 1.00 0.00 C ATOM 1307 CZ PHE A 85 9.228 -7.841 9.259 1.00 0.00 C ATOM 0 H PHE A 85 5.895 -10.709 7.080 1.00 0.00 H new ATOM 0 HA PHE A 85 3.688 -8.813 6.884 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.605 -7.206 8.377 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.559 -8.713 9.271 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.896 -10.172 8.569 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.457 -5.952 8.946 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.298 -9.966 9.044 1.00 0.00 H new ATOM 0 HE2 PHE A 85 8.859 -5.742 9.420 1.00 0.00 H new ATOM 0 HZ PHE A 85 10.284 -7.750 9.464 1.00 0.00 H new ATOM 1317 N PHE A 86 5.123 -7.360 5.365 1.00 0.00 N ATOM 1318 CA PHE A 86 5.850 -6.747 4.259 1.00 0.00 C ATOM 1319 C PHE A 86 6.127 -5.273 4.542 1.00 0.00 C ATOM 1320 O PHE A 86 5.485 -4.388 3.974 1.00 0.00 O ATOM 1321 CB PHE A 86 5.056 -6.888 2.959 1.00 0.00 C ATOM 1322 CG PHE A 86 5.206 -8.232 2.307 1.00 0.00 C ATOM 1323 CD1 PHE A 86 6.297 -8.507 1.499 1.00 0.00 C ATOM 1324 CD2 PHE A 86 4.256 -9.222 2.503 1.00 0.00 C ATOM 1325 CE1 PHE A 86 6.439 -9.744 0.898 1.00 0.00 C ATOM 1326 CE2 PHE A 86 4.393 -10.461 1.905 1.00 0.00 C ATOM 1327 CZ PHE A 86 5.485 -10.721 1.101 1.00 0.00 C ATOM 0 H PHE A 86 4.237 -6.908 5.590 1.00 0.00 H new ATOM 0 HA PHE A 86 6.804 -7.264 4.152 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.001 -6.709 3.166 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.379 -6.116 2.260 1.00 0.00 H new ATOM 0 HD1 PHE A 86 7.046 -7.746 1.337 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.399 -9.023 3.130 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.295 -9.946 0.271 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.647 -11.225 2.067 1.00 0.00 H new ATOM 0 HZ PHE A 86 5.593 -11.688 0.631 1.00 0.00 H new ATOM 1337 N LEU A 87 7.087 -5.017 5.423 1.00 0.00 N ATOM 1338 CA LEU A 87 7.451 -3.651 5.783 1.00 0.00 C ATOM 1339 C LEU A 87 8.051 -2.915 4.589 1.00 0.00 C ATOM 1340 O LEU A 87 9.148 -3.239 4.134 1.00 0.00 O ATOM 1341 CB LEU A 87 8.445 -3.656 6.946 1.00 0.00 C ATOM 1342 CG LEU A 87 8.346 -2.481 7.919 1.00 0.00 C ATOM 1343 CD1 LEU A 87 8.716 -1.179 7.224 1.00 0.00 C ATOM 1344 CD2 LEU A 87 6.945 -2.393 8.508 1.00 0.00 C ATOM 0 H LEU A 87 7.628 -5.737 5.902 1.00 0.00 H new ATOM 0 HA LEU A 87 6.545 -3.129 6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.310 -4.580 7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.454 -3.677 6.535 1.00 0.00 H new ATOM 0 HG LEU A 87 9.052 -2.648 8.733 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.640 -0.354 7.932 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.738 -1.243 6.851 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.036 -1.005 6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.893 -1.551 9.198 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.221 -2.250 7.706 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.716 -3.315 9.042 1.00 0.00 H new ATOM 1356 N LEU A 88 7.325 -1.921 4.088 1.00 0.00 N ATOM 1357 CA LEU A 88 7.787 -1.136 2.948 1.00 0.00 C ATOM 1358 C LEU A 88 7.771 0.354 3.271 1.00 0.00 C ATOM 1359 O LEU A 88 7.348 0.762 4.353 1.00 0.00 O ATOM 1360 CB LEU A 88 6.911 -1.414 1.725 1.00 0.00 C ATOM 1361 CG LEU A 88 6.786 -2.880 1.308 1.00 0.00 C ATOM 1362 CD1 LEU A 88 5.572 -3.079 0.414 1.00 0.00 C ATOM 1363 CD2 LEU A 88 8.052 -3.344 0.602 1.00 0.00 C ATOM 0 H LEU A 88 6.415 -1.640 4.453 1.00 0.00 H new ATOM 0 HA LEU A 88 8.813 -1.430 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.912 -1.027 1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.310 -0.850 0.882 1.00 0.00 H new ATOM 0 HG LEU A 88 6.653 -3.483 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.499 -4.128 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.671 -2.787 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.674 -2.465 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.945 -4.389 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.216 -2.736 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.903 -3.239 1.275 1.00 0.00 H new ATOM 1375 N THR A 89 8.233 1.165 2.323 1.00 0.00 N ATOM 1376 CA THR A 89 8.271 2.610 2.506 1.00 0.00 C ATOM 1377 C THR A 89 8.055 3.337 1.184 1.00 0.00 C ATOM 1378 O THR A 89 8.509 2.885 0.134 1.00 0.00 O ATOM 1379 CB THR A 89 9.610 3.064 3.116 1.00 0.00 C ATOM 1380 OG1 THR A 89 9.781 2.482 4.413 1.00 0.00 O ATOM 1381 CG2 THR A 89 9.670 4.581 3.223 1.00 0.00 C ATOM 0 H THR A 89 8.586 0.845 1.421 1.00 0.00 H new ATOM 0 HA THR A 89 7.463 2.863 3.193 1.00 0.00 H new ATOM 0 HB THR A 89 10.414 2.730 2.460 1.00 0.00 H new ATOM 0 HG1 THR A 89 10.636 2.775 4.793 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.625 4.878 3.657 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.570 5.020 2.230 1.00 0.00 H new ATOM 0 HG23 THR A 89 8.858 4.933 3.859 1.00 0.00 H new ATOM 1389 N GLY A 90 7.358 4.468 1.242 1.00 0.00 N ATOM 1390 CA GLY A 90 7.095 5.240 0.042 1.00 0.00 C ATOM 1391 C GLY A 90 7.869 6.543 0.009 1.00 0.00 C ATOM 1392 O GLY A 90 8.019 7.210 1.032 1.00 0.00 O ATOM 0 H GLY A 90 6.971 4.863 2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.355 4.645 -0.833 1.00 0.00 H new ATOM 0 HA3 GLY A 90 6.028 5.453 -0.022 1.00 0.00 H new ATOM 1396 N TYR A 91 8.364 6.905 -1.170 1.00 0.00 N ATOM 1397 CA TYR A 91 9.131 8.134 -1.331 1.00 0.00 C ATOM 1398 C TYR A 91 8.567 8.983 -2.467 1.00 0.00 C ATOM 1399 O TYR A 91 8.057 8.457 -3.455 1.00 0.00 O ATOM 1400 CB TYR A 91 10.601 7.811 -1.603 1.00 0.00 C ATOM 1401 CG TYR A 91 11.325 7.234 -0.407 1.00 0.00 C ATOM 1402 CD1 TYR A 91 11.677 8.037 0.670 1.00 0.00 C ATOM 1403 CD2 TYR A 91 11.659 5.886 -0.356 1.00 0.00 C ATOM 1404 CE1 TYR A 91 12.339 7.515 1.765 1.00 0.00 C ATOM 1405 CE2 TYR A 91 12.320 5.355 0.735 1.00 0.00 C ATOM 1406 CZ TYR A 91 12.658 6.174 1.792 1.00 0.00 C ATOM 1407 OH TYR A 91 13.318 5.649 2.880 1.00 0.00 O ATOM 0 H TYR A 91 8.248 6.365 -2.027 1.00 0.00 H new ATOM 0 HA TYR A 91 9.056 8.703 -0.404 1.00 0.00 H new ATOM 0 HB2 TYR A 91 10.662 7.104 -2.430 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.111 8.720 -1.922 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.429 9.088 0.651 1.00 0.00 H new ATOM 0 HD2 TYR A 91 11.397 5.243 -1.183 1.00 0.00 H new ATOM 0 HE1 TYR A 91 12.605 8.154 2.594 1.00 0.00 H new ATOM 0 HE2 TYR A 91 12.571 4.305 0.760 1.00 0.00 H new ATOM 0 HH TYR A 91 13.466 4.690 2.741 1.00 0.00 H new ATOM 1417 N ALA A 92 8.665 10.300 -2.317 1.00 0.00 N ATOM 1418 CA ALA A 92 8.168 11.223 -3.330 1.00 0.00 C ATOM 1419 C ALA A 92 9.312 12.001 -3.972 1.00 0.00 C ATOM 1420 O ALA A 92 9.706 13.061 -3.485 1.00 0.00 O ATOM 1421 CB ALA A 92 7.154 12.180 -2.720 1.00 0.00 C ATOM 0 H ALA A 92 9.084 10.751 -1.504 1.00 0.00 H new ATOM 0 HA ALA A 92 7.678 10.639 -4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.791 12.864 -3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.316 11.613 -2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.627 12.750 -1.921 1.00 0.00 H new ATOM 1427 N LEU A 93 9.841 11.467 -5.068 1.00 0.00 N ATOM 1428 CA LEU A 93 10.940 12.111 -5.778 1.00 0.00 C ATOM 1429 C LEU A 93 10.426 13.230 -6.678 1.00 0.00 C ATOM 1430 O LEU A 93 9.252 13.254 -7.046 1.00 0.00 O ATOM 1431 CB LEU A 93 11.707 11.083 -6.611 1.00 0.00 C ATOM 1432 CG LEU A 93 12.050 9.770 -5.907 1.00 0.00 C ATOM 1433 CD1 LEU A 93 12.783 8.832 -6.853 1.00 0.00 C ATOM 1434 CD2 LEU A 93 12.885 10.034 -4.662 1.00 0.00 C ATOM 0 H LEU A 93 9.527 10.590 -5.484 1.00 0.00 H new ATOM 0 HA LEU A 93 11.613 12.545 -5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.119 10.853 -7.499 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.635 11.542 -6.953 1.00 0.00 H new ATOM 0 HG LEU A 93 11.120 9.291 -5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.019 7.903 -6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.150 8.616 -7.714 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.706 9.304 -7.190 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.120 9.088 -4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.810 10.536 -4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.324 10.667 -3.975 1.00 0.00 H new ATOM 1446 N ASP A 94 11.314 14.154 -7.030 1.00 0.00 N ATOM 1447 CA ASP A 94 10.951 15.274 -7.890 1.00 0.00 C ATOM 1448 C ASP A 94 11.767 15.256 -9.179 1.00 0.00 C ATOM 1449 O ASP A 94 11.236 14.992 -10.258 1.00 0.00 O ATOM 1450 CB ASP A 94 11.164 16.599 -7.156 1.00 0.00 C ATOM 1451 CG ASP A 94 10.270 17.704 -7.683 1.00 0.00 C ATOM 1452 OD1 ASP A 94 9.884 17.639 -8.868 1.00 0.00 O ATOM 1453 OD2 ASP A 94 9.956 18.633 -6.909 1.00 0.00 O ATOM 0 H ASP A 94 12.290 14.149 -6.733 1.00 0.00 H new ATOM 0 HA ASP A 94 9.896 15.175 -8.147 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.972 16.457 -6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.207 16.902 -7.254 1.00 0.00 H new ATOM 1458 N ALA A 95 13.060 15.540 -9.059 1.00 0.00 N ATOM 1459 CA ALA A 95 13.949 15.556 -10.214 1.00 0.00 C ATOM 1460 C ALA A 95 15.206 14.734 -9.951 1.00 0.00 C ATOM 1461 O ALA A 95 15.365 13.636 -10.485 1.00 0.00 O ATOM 1462 CB ALA A 95 14.318 16.986 -10.577 1.00 0.00 C ATOM 0 H ALA A 95 13.515 15.762 -8.173 1.00 0.00 H new ATOM 0 HA ALA A 95 13.420 15.105 -11.054 1.00 0.00 H new ATOM 0 HB1 ALA A 95 14.982 16.982 -11.441 1.00 0.00 H new ATOM 0 HB2 ALA A 95 13.414 17.545 -10.817 1.00 0.00 H new ATOM 0 HB3 ALA A 95 14.823 17.457 -9.733 1.00 0.00 H new ATOM 1468 N ARG A 96 16.097 15.272 -9.124 1.00 0.00 N ATOM 1469 CA ARG A 96 17.341 14.589 -8.792 1.00 0.00 C ATOM 1470 C ARG A 96 17.062 13.276 -8.065 1.00 0.00 C ATOM 1471 O ARG A 96 17.797 12.301 -8.220 1.00 0.00 O ATOM 1472 CB ARG A 96 18.225 15.487 -7.924 1.00 0.00 C ATOM 1473 CG ARG A 96 19.089 16.447 -8.725 1.00 0.00 C ATOM 1474 CD ARG A 96 20.182 15.712 -9.484 1.00 0.00 C ATOM 1475 NE ARG A 96 21.109 16.633 -10.136 1.00 0.00 N ATOM 1476 CZ ARG A 96 21.909 16.284 -11.138 1.00 0.00 C ATOM 1477 NH1 ARG A 96 21.894 15.041 -11.600 1.00 0.00 N ATOM 1478 NH2 ARG A 96 22.725 17.178 -11.680 1.00 0.00 N ATOM 0 H ARG A 96 15.980 16.179 -8.672 1.00 0.00 H new ATOM 0 HA ARG A 96 17.864 14.366 -9.722 1.00 0.00 H new ATOM 0 HB2 ARG A 96 17.592 16.060 -7.246 1.00 0.00 H new ATOM 0 HB3 ARG A 96 18.869 14.861 -7.306 1.00 0.00 H new ATOM 0 HG2 ARG A 96 18.465 17.000 -9.428 1.00 0.00 H new ATOM 0 HG3 ARG A 96 19.539 17.179 -8.054 1.00 0.00 H new ATOM 0 HD2 ARG A 96 20.732 15.070 -8.796 1.00 0.00 H new ATOM 0 HD3 ARG A 96 19.729 15.062 -10.233 1.00 0.00 H new ATOM 0 HE ARG A 96 21.144 17.597 -9.804 1.00 0.00 H new ATOM 0 HH11 ARG A 96 21.268 14.351 -11.186 1.00 0.00 H new ATOM 0 HH12 ARG A 96 22.509 14.775 -12.369 1.00 0.00 H new ATOM 0 HH21 ARG A 96 22.739 18.135 -11.328 1.00 0.00 H new ATOM 0 HH22 ARG A 96 23.338 16.908 -12.449 1.00 0.00 H new ATOM 1492 N GLY A 97 15.997 13.260 -7.270 1.00 0.00 N ATOM 1493 CA GLY A 97 15.641 12.063 -6.531 1.00 0.00 C ATOM 1494 C GLY A 97 15.878 12.209 -5.041 1.00 0.00 C ATOM 1495 O GLY A 97 16.140 11.227 -4.348 1.00 0.00 O ATOM 0 H GLY A 97 15.374 14.055 -7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.591 11.830 -6.708 1.00 0.00 H new ATOM 0 HA3 GLY A 97 16.222 11.221 -6.907 1.00 0.00 H new ATOM 1499 N ASN A 98 15.787 13.440 -4.547 1.00 0.00 N ATOM 1500 CA ASN A 98 15.996 13.712 -3.130 1.00 0.00 C ATOM 1501 C ASN A 98 14.666 13.926 -2.415 1.00 0.00 C ATOM 1502 O ASN A 98 13.943 14.881 -2.699 1.00 0.00 O ATOM 1503 CB ASN A 98 16.888 14.943 -2.952 1.00 0.00 C ATOM 1504 CG ASN A 98 16.529 16.060 -3.913 1.00 0.00 C ATOM 1505 OD1 ASN A 98 15.510 16.731 -3.750 1.00 0.00 O ATOM 1506 ND2 ASN A 98 17.369 16.264 -4.921 1.00 0.00 N ATOM 0 H ASN A 98 15.570 14.264 -5.107 1.00 0.00 H new ATOM 0 HA ASN A 98 16.490 12.847 -2.688 1.00 0.00 H new ATOM 0 HB2 ASN A 98 16.801 15.306 -1.928 1.00 0.00 H new ATOM 0 HB3 ASN A 98 17.929 14.659 -3.102 1.00 0.00 H new ATOM 0 HD21 ASN A 98 17.181 17.002 -5.600 1.00 0.00 H new ATOM 0 HD22 ASN A 98 18.202 15.683 -5.016 1.00 0.00 H new ATOM 1513 N ASN A 99 14.349 13.031 -1.485 1.00 0.00 N ATOM 1514 CA ASN A 99 13.105 13.122 -0.729 1.00 0.00 C ATOM 1515 C ASN A 99 12.739 14.577 -0.456 1.00 0.00 C ATOM 1516 O ASN A 99 13.375 15.246 0.359 1.00 0.00 O ATOM 1517 CB ASN A 99 13.230 12.359 0.591 1.00 0.00 C ATOM 1518 CG ASN A 99 13.913 11.016 0.421 1.00 0.00 C ATOM 1519 OD1 ASN A 99 13.740 10.343 -0.595 1.00 0.00 O ATOM 1520 ND2 ASN A 99 14.695 10.619 1.419 1.00 0.00 N ATOM 0 H ASN A 99 14.936 12.235 -1.237 1.00 0.00 H new ATOM 0 HA ASN A 99 12.312 12.673 -1.327 1.00 0.00 H new ATOM 0 HB2 ASN A 99 13.793 12.962 1.304 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.237 12.207 1.015 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.181 9.724 1.361 1.00 0.00 H new ATOM 0 HD22 ASN A 99 14.810 11.209 2.243 1.00 0.00 H new ATOM 1527 N VAL A 100 11.710 15.062 -1.143 1.00 0.00 N ATOM 1528 CA VAL A 100 11.257 16.438 -0.973 1.00 0.00 C ATOM 1529 C VAL A 100 10.081 16.514 -0.006 1.00 0.00 C ATOM 1530 O VAL A 100 9.837 17.552 0.607 1.00 0.00 O ATOM 1531 CB VAL A 100 10.843 17.062 -2.319 1.00 0.00 C ATOM 1532 CG1 VAL A 100 12.047 17.198 -3.238 1.00 0.00 C ATOM 1533 CG2 VAL A 100 9.751 16.231 -2.977 1.00 0.00 C ATOM 0 H VAL A 100 11.174 14.523 -1.823 1.00 0.00 H new ATOM 0 HA VAL A 100 12.096 17.000 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 100 10.446 18.059 -2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 100 11.735 17.641 -4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 100 12.794 17.837 -2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 100 12.477 16.213 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.470 16.686 -3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 100 10.119 15.220 -3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 100 8.880 16.191 -2.323 1.00 0.00 H new ATOM 1543 N GLU A 101 9.356 15.408 0.124 1.00 0.00 N ATOM 1544 CA GLU A 101 8.205 15.350 1.017 1.00 0.00 C ATOM 1545 C GLU A 101 8.448 14.365 2.157 1.00 0.00 C ATOM 1546 O GLU A 101 9.452 13.651 2.172 1.00 0.00 O ATOM 1547 CB GLU A 101 6.949 14.949 0.241 1.00 0.00 C ATOM 1548 CG GLU A 101 6.234 16.123 -0.409 1.00 0.00 C ATOM 1549 CD GLU A 101 5.263 16.808 0.533 1.00 0.00 C ATOM 1550 OE1 GLU A 101 5.697 17.713 1.277 1.00 0.00 O ATOM 1551 OE2 GLU A 101 4.070 16.440 0.526 1.00 0.00 O ATOM 0 H GLU A 101 9.545 14.540 -0.378 1.00 0.00 H new ATOM 0 HA GLU A 101 8.059 16.342 1.443 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.223 14.229 -0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.260 14.444 0.918 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.972 16.847 -0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.695 15.773 -1.289 1.00 0.00 H new ATOM 1558 N LYS A 102 7.523 14.331 3.110 1.00 0.00 N ATOM 1559 CA LYS A 102 7.635 13.434 4.253 1.00 0.00 C ATOM 1560 C LYS A 102 7.080 12.053 3.918 1.00 0.00 C ATOM 1561 O LYS A 102 5.884 11.878 3.681 1.00 0.00 O ATOM 1562 CB LYS A 102 6.891 14.015 5.458 1.00 0.00 C ATOM 1563 CG LYS A 102 7.736 14.955 6.299 1.00 0.00 C ATOM 1564 CD LYS A 102 7.890 16.312 5.634 1.00 0.00 C ATOM 1565 CE LYS A 102 8.540 17.321 6.568 1.00 0.00 C ATOM 1566 NZ LYS A 102 8.727 18.645 5.912 1.00 0.00 N ATOM 0 H LYS A 102 6.687 14.915 3.113 1.00 0.00 H new ATOM 0 HA LYS A 102 8.692 13.332 4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.009 14.550 5.106 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.539 13.197 6.086 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.277 15.079 7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.720 14.515 6.461 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.493 16.210 4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.912 16.679 5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.923 17.441 7.459 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.506 16.940 6.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.173 19.304 6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.336 18.535 5.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.803 19.021 5.619 1.00 0.00 H new ATOM 1580 N PRO A 103 7.967 11.047 3.897 1.00 0.00 N ATOM 1581 CA PRO A 103 7.588 9.664 3.594 1.00 0.00 C ATOM 1582 C PRO A 103 6.752 9.035 4.703 1.00 0.00 C ATOM 1583 O PRO A 103 6.403 9.696 5.683 1.00 0.00 O ATOM 1584 CB PRO A 103 8.935 8.947 3.467 1.00 0.00 C ATOM 1585 CG PRO A 103 9.874 9.758 4.291 1.00 0.00 C ATOM 1586 CD PRO A 103 9.408 11.182 4.170 1.00 0.00 C ATOM 0 HA PRO A 103 6.968 9.598 2.700 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.874 7.921 3.831 1.00 0.00 H new ATOM 0 HB3 PRO A 103 9.261 8.898 2.428 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.863 9.431 5.331 1.00 0.00 H new ATOM 0 HG3 PRO A 103 10.898 9.651 3.934 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.593 11.744 5.085 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.922 11.706 3.364 1.00 0.00 H new ATOM 1594 N LEU A 104 6.434 7.755 4.545 1.00 0.00 N ATOM 1595 CA LEU A 104 5.639 7.036 5.534 1.00 0.00 C ATOM 1596 C LEU A 104 6.048 5.568 5.599 1.00 0.00 C ATOM 1597 O LEU A 104 6.954 5.134 4.888 1.00 0.00 O ATOM 1598 CB LEU A 104 4.150 7.148 5.201 1.00 0.00 C ATOM 1599 CG LEU A 104 3.638 6.222 4.097 1.00 0.00 C ATOM 1600 CD1 LEU A 104 4.630 6.163 2.946 1.00 0.00 C ATOM 1601 CD2 LEU A 104 3.377 4.828 4.650 1.00 0.00 C ATOM 0 H LEU A 104 6.715 7.194 3.741 1.00 0.00 H new ATOM 0 HA LEU A 104 5.822 7.489 6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.579 6.949 6.108 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.939 8.177 4.911 1.00 0.00 H new ATOM 0 HG LEU A 104 2.698 6.624 3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.248 5.499 2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.768 7.162 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.586 5.785 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.013 4.182 3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.302 4.418 5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.628 4.884 5.440 1.00 0.00 H new ATOM 1613 N GLU A 105 5.372 4.807 6.455 1.00 0.00 N ATOM 1614 CA GLU A 105 5.665 3.387 6.611 1.00 0.00 C ATOM 1615 C GLU A 105 4.461 2.537 6.217 1.00 0.00 C ATOM 1616 O GLU A 105 3.528 2.361 7.002 1.00 0.00 O ATOM 1617 CB GLU A 105 6.069 3.082 8.055 1.00 0.00 C ATOM 1618 CG GLU A 105 6.612 1.677 8.251 1.00 0.00 C ATOM 1619 CD GLU A 105 7.323 1.506 9.579 1.00 0.00 C ATOM 1620 OE1 GLU A 105 8.385 2.135 9.768 1.00 0.00 O ATOM 1621 OE2 GLU A 105 6.817 0.744 10.430 1.00 0.00 O ATOM 0 H GLU A 105 4.618 5.150 7.050 1.00 0.00 H new ATOM 0 HA GLU A 105 6.495 3.139 5.950 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.824 3.802 8.372 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.204 3.222 8.703 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.791 0.962 8.188 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.302 1.442 7.441 1.00 0.00 H new ATOM 1628 N LEU A 106 4.487 2.013 4.997 1.00 0.00 N ATOM 1629 CA LEU A 106 3.398 1.182 4.497 1.00 0.00 C ATOM 1630 C LEU A 106 3.434 -0.204 5.134 1.00 0.00 C ATOM 1631 O LEU A 106 4.121 -1.103 4.649 1.00 0.00 O ATOM 1632 CB LEU A 106 3.481 1.058 2.975 1.00 0.00 C ATOM 1633 CG LEU A 106 2.590 -0.009 2.338 1.00 0.00 C ATOM 1634 CD1 LEU A 106 1.122 0.341 2.525 1.00 0.00 C ATOM 1635 CD2 LEU A 106 2.918 -0.167 0.861 1.00 0.00 C ATOM 0 H LEU A 106 5.251 2.149 4.335 1.00 0.00 H new ATOM 0 HA LEU A 106 2.456 1.661 4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.227 2.023 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.516 0.848 2.704 1.00 0.00 H new ATOM 0 HG LEU A 106 2.783 -0.959 2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.503 -0.429 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.895 0.402 3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 106 0.914 1.302 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.274 -0.931 0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.755 0.781 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.961 -0.465 0.750 1.00 0.00 H new ATOM 1647 N ARG A 107 2.689 -0.369 6.222 1.00 0.00 N ATOM 1648 CA ARG A 107 2.635 -1.645 6.925 1.00 0.00 C ATOM 1649 C ARG A 107 1.589 -2.565 6.302 1.00 0.00 C ATOM 1650 O ARG A 107 0.404 -2.235 6.260 1.00 0.00 O ATOM 1651 CB ARG A 107 2.318 -1.424 8.405 1.00 0.00 C ATOM 1652 CG ARG A 107 2.502 -2.667 9.260 1.00 0.00 C ATOM 1653 CD ARG A 107 1.224 -3.487 9.333 1.00 0.00 C ATOM 1654 NE ARG A 107 1.403 -4.712 10.108 1.00 0.00 N ATOM 1655 CZ ARG A 107 1.392 -4.749 11.436 1.00 0.00 C ATOM 1656 NH1 ARG A 107 1.211 -3.636 12.133 1.00 0.00 N ATOM 1657 NH2 ARG A 107 1.561 -5.903 12.069 1.00 0.00 N ATOM 0 H ARG A 107 2.114 0.365 6.636 1.00 0.00 H new ATOM 0 HA ARG A 107 3.612 -2.121 6.837 1.00 0.00 H new ATOM 0 HB2 ARG A 107 2.958 -0.630 8.790 1.00 0.00 H new ATOM 0 HB3 ARG A 107 1.289 -1.077 8.500 1.00 0.00 H new ATOM 0 HG2 ARG A 107 3.305 -3.278 8.847 1.00 0.00 H new ATOM 0 HG3 ARG A 107 2.807 -2.377 10.265 1.00 0.00 H new ATOM 0 HD2 ARG A 107 0.433 -2.886 9.782 1.00 0.00 H new ATOM 0 HD3 ARG A 107 0.898 -3.741 8.324 1.00 0.00 H new ATOM 0 HE ARG A 107 1.544 -5.586 9.602 1.00 0.00 H new ATOM 0 HH11 ARG A 107 1.080 -2.747 11.650 1.00 0.00 H new ATOM 0 HH12 ARG A 107 1.203 -3.668 13.152 1.00 0.00 H new ATOM 0 HH21 ARG A 107 1.699 -6.762 11.536 1.00 0.00 H new ATOM 0 HH22 ARG A 107 1.553 -5.931 13.089 1.00 0.00 H new ATOM 1671 N ILE A 108 2.036 -3.720 5.820 1.00 0.00 N ATOM 1672 CA ILE A 108 1.139 -4.687 5.200 1.00 0.00 C ATOM 1673 C ILE A 108 1.072 -5.975 6.014 1.00 0.00 C ATOM 1674 O ILE A 108 2.033 -6.743 6.062 1.00 0.00 O ATOM 1675 CB ILE A 108 1.579 -5.023 3.763 1.00 0.00 C ATOM 1676 CG1 ILE A 108 1.670 -3.748 2.923 1.00 0.00 C ATOM 1677 CG2 ILE A 108 0.611 -6.012 3.130 1.00 0.00 C ATOM 1678 CD1 ILE A 108 2.342 -3.953 1.583 1.00 0.00 C ATOM 0 H ILE A 108 3.014 -4.009 5.847 1.00 0.00 H new ATOM 0 HA ILE A 108 0.151 -4.227 5.170 1.00 0.00 H new ATOM 0 HB ILE A 108 2.566 -5.483 3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.665 -3.357 2.760 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.219 -2.992 3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.935 -6.240 2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.591 -6.929 3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.388 -5.577 3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.371 -3.007 1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.359 -4.314 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.781 -4.686 1.003 1.00 0.00 H new ATOM 1690 N LYS A 109 -0.070 -6.207 6.651 1.00 0.00 N ATOM 1691 CA LYS A 109 -0.266 -7.403 7.461 1.00 0.00 C ATOM 1692 C LYS A 109 -0.844 -8.539 6.623 1.00 0.00 C ATOM 1693 O LYS A 109 -1.770 -8.335 5.838 1.00 0.00 O ATOM 1694 CB LYS A 109 -1.194 -7.101 8.640 1.00 0.00 C ATOM 1695 CG LYS A 109 -1.065 -8.089 9.786 1.00 0.00 C ATOM 1696 CD LYS A 109 -1.962 -9.298 9.583 1.00 0.00 C ATOM 1697 CE LYS A 109 -3.343 -9.074 10.181 1.00 0.00 C ATOM 1698 NZ LYS A 109 -3.299 -9.010 11.668 1.00 0.00 N ATOM 0 H LYS A 109 -0.875 -5.582 6.622 1.00 0.00 H new ATOM 0 HA LYS A 109 0.706 -7.715 7.843 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.982 -6.098 9.011 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.226 -7.099 8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.028 -8.414 9.872 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.323 -7.596 10.723 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.055 -9.508 8.518 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -1.503 -10.174 10.042 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -3.762 -8.147 9.790 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.008 -9.880 9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -4.236 -9.246 12.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.596 -9.689 12.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.034 -8.050 11.966 1.00 0.00 H new ATOM 1712 N VAL A 110 -0.293 -9.736 6.797 1.00 0.00 N ATOM 1713 CA VAL A 110 -0.756 -10.905 6.058 1.00 0.00 C ATOM 1714 C VAL A 110 -1.814 -11.670 6.847 1.00 0.00 C ATOM 1715 O VAL A 110 -1.555 -12.149 7.951 1.00 0.00 O ATOM 1716 CB VAL A 110 0.408 -11.857 5.726 1.00 0.00 C ATOM 1717 CG1 VAL A 110 -0.092 -13.057 4.937 1.00 0.00 C ATOM 1718 CG2 VAL A 110 1.496 -11.120 4.960 1.00 0.00 C ATOM 0 H VAL A 110 0.474 -9.922 7.443 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.193 -10.539 5.129 1.00 0.00 H new ATOM 0 HB VAL A 110 0.836 -12.220 6.660 1.00 0.00 H new ATOM 0 HG11 VAL A 110 0.745 -13.718 4.712 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.833 -13.597 5.527 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.547 -12.717 4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.311 -11.808 4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.084 -10.727 4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 110 1.874 -10.297 5.566 1.00 0.00 H new ATOM 1728 N LEU A 111 -3.007 -11.780 6.272 1.00 0.00 N ATOM 1729 CA LEU A 111 -4.105 -12.488 6.921 1.00 0.00 C ATOM 1730 C LEU A 111 -3.915 -13.998 6.821 1.00 0.00 C ATOM 1731 O LEU A 111 -3.436 -14.507 5.808 1.00 0.00 O ATOM 1732 CB LEU A 111 -5.440 -12.087 6.289 1.00 0.00 C ATOM 1733 CG LEU A 111 -5.733 -10.588 6.234 1.00 0.00 C ATOM 1734 CD1 LEU A 111 -6.963 -10.315 5.383 1.00 0.00 C ATOM 1735 CD2 LEU A 111 -5.919 -10.029 7.637 1.00 0.00 C ATOM 0 H LEU A 111 -3.238 -11.389 5.359 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.111 -12.211 7.975 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -5.471 -12.480 5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -6.242 -12.574 6.844 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.880 -10.088 5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.156 -9.243 5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.793 -10.679 4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.824 -10.828 5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.127 -8.961 7.578 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -6.754 -10.535 8.123 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.010 -10.191 8.216 1.00 0.00 H new ATOM 1747 N ASP A 112 -4.296 -14.708 7.877 1.00 0.00 N ATOM 1748 CA ASP A 112 -4.171 -16.160 7.907 1.00 0.00 C ATOM 1749 C ASP A 112 -5.264 -16.818 7.070 1.00 0.00 C ATOM 1750 O ASP A 112 -6.430 -16.429 7.140 1.00 0.00 O ATOM 1751 CB ASP A 112 -4.238 -16.670 9.348 1.00 0.00 C ATOM 1752 CG ASP A 112 -5.410 -16.087 10.113 1.00 0.00 C ATOM 1753 OD1 ASP A 112 -6.564 -16.314 9.695 1.00 0.00 O ATOM 1754 OD2 ASP A 112 -5.172 -15.405 11.132 1.00 0.00 O ATOM 0 H ASP A 112 -4.694 -14.301 8.724 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.203 -16.425 7.481 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.316 -17.757 9.343 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -3.311 -16.419 9.863 1.00 0.00 H new ATOM 1759 N ILE A 113 -4.879 -17.814 6.280 1.00 0.00 N ATOM 1760 CA ILE A 113 -5.826 -18.525 5.431 1.00 0.00 C ATOM 1761 C ILE A 113 -7.175 -18.683 6.124 1.00 0.00 C ATOM 1762 O ILE A 113 -8.225 -18.473 5.517 1.00 0.00 O ATOM 1763 CB ILE A 113 -5.297 -19.917 5.039 1.00 0.00 C ATOM 1764 CG1 ILE A 113 -6.284 -20.617 4.102 1.00 0.00 C ATOM 1765 CG2 ILE A 113 -5.051 -20.759 6.282 1.00 0.00 C ATOM 1766 CD1 ILE A 113 -6.209 -20.128 2.672 1.00 0.00 C ATOM 0 H ILE A 113 -3.917 -18.147 6.210 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.951 -17.926 4.529 1.00 0.00 H new ATOM 0 HB ILE A 113 -4.350 -19.795 4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -6.093 -21.690 4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -7.297 -20.467 4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.677 -21.740 5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.315 -20.265 6.916 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -5.984 -20.876 6.833 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -6.936 -20.667 2.064 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -6.430 -19.061 2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.207 -20.303 2.280 1.00 0.00 H new ATOM 1778 N ASN A 114 -7.139 -19.052 7.400 1.00 0.00 N ATOM 1779 CA ASN A 114 -8.359 -19.237 8.178 1.00 0.00 C ATOM 1780 C ASN A 114 -9.332 -18.086 7.944 1.00 0.00 C ATOM 1781 O ASN A 114 -10.482 -18.300 7.558 1.00 0.00 O ATOM 1782 CB ASN A 114 -8.028 -19.344 9.667 1.00 0.00 C ATOM 1783 CG ASN A 114 -6.866 -20.282 9.935 1.00 0.00 C ATOM 1784 OD1 ASN A 114 -5.770 -19.845 10.288 1.00 0.00 O ATOM 1785 ND2 ASN A 114 -7.101 -21.578 9.768 1.00 0.00 N ATOM 0 H ASN A 114 -6.278 -19.229 7.918 1.00 0.00 H new ATOM 0 HA ASN A 114 -8.832 -20.163 7.851 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.789 -18.354 10.055 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -8.907 -19.695 10.208 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -6.358 -22.257 9.933 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -8.025 -21.895 9.474 1.00 0.00 H new ATOM 1792 N ASP A 115 -8.864 -16.865 8.179 1.00 0.00 N ATOM 1793 CA ASP A 115 -9.693 -15.679 7.993 1.00 0.00 C ATOM 1794 C ASP A 115 -10.444 -15.745 6.667 1.00 0.00 C ATOM 1795 O ASP A 115 -9.836 -15.838 5.601 1.00 0.00 O ATOM 1796 CB ASP A 115 -8.831 -14.416 8.044 1.00 0.00 C ATOM 1797 CG ASP A 115 -9.653 -13.150 7.906 1.00 0.00 C ATOM 1798 OD1 ASP A 115 -10.607 -13.145 7.099 1.00 0.00 O ATOM 1799 OD2 ASP A 115 -9.342 -12.163 8.605 1.00 0.00 O ATOM 0 H ASP A 115 -7.915 -16.670 8.499 1.00 0.00 H new ATOM 0 HA ASP A 115 -10.423 -15.644 8.802 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -8.284 -14.390 8.987 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -8.089 -14.453 7.246 1.00 0.00 H new