USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=18 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 29 ASN : amide:sc= -3.83! C(o=-9.2!,f=-12!) USER MOD Set 1.2: A 73 ASN : amide:sc= -5.37! C(o=-9.2!,f=-14!) USER MOD Single : A 14 THR OG1 : rot -29:sc= 0.0413 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0552) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -128:sc= -0.567 (180deg=-2.65!) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 36 SER OG : rot 180:sc= -0.881 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.246 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 28:sc= 0.14 USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0.352 (180deg=0.335) USER MOD Single : A 56 THR OG1 : rot -27:sc= 0.155 USER MOD Single : A 66 ASN : amide:sc= 0.2 K(o=0.2,f=-10!) 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 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 133:sc= 1.28 USER MOD Single : A 83 THR OG1 : rot 140:sc= 1.72 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= -0.22 X(o=-0.22,f=0) USER MOD Single : A 99 ASN : amide:sc= -0.465 K(o=-0.47,f=-2.3!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -150:sc=-0.000405 (180deg=-0.959) USER MOD Single : A 114 ASN : amide:sc= -0.0487 X(o=-0.049,f=0) USER MOD ----------------------------------------------------------------- ATOM 182 N THR A 14 -2.446 6.996 5.626 1.00 0.00 N ATOM 183 CA THR A 14 -2.451 5.656 5.053 1.00 0.00 C ATOM 184 C THR A 14 -3.038 4.643 6.029 1.00 0.00 C ATOM 185 O THR A 14 -3.036 4.860 7.240 1.00 0.00 O ATOM 186 CB THR A 14 -1.031 5.209 4.658 1.00 0.00 C ATOM 187 OG1 THR A 14 -0.186 5.186 5.814 1.00 0.00 O ATOM 188 CG2 THR A 14 -0.442 6.141 3.610 1.00 0.00 C ATOM 0 HA THR A 14 -3.073 5.697 4.159 1.00 0.00 H new ATOM 0 HB THR A 14 -1.094 4.207 4.234 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.502 5.848 6.464 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.561 5.805 3.347 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.072 6.133 2.721 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.392 7.154 4.010 1.00 0.00 H new ATOM 196 N ALA A 15 -3.539 3.534 5.493 1.00 0.00 N ATOM 197 CA ALA A 15 -4.127 2.486 6.318 1.00 0.00 C ATOM 198 C ALA A 15 -3.343 1.184 6.193 1.00 0.00 C ATOM 199 O ALA A 15 -2.707 0.910 5.174 1.00 0.00 O ATOM 200 CB ALA A 15 -5.583 2.266 5.934 1.00 0.00 C ATOM 0 H ALA A 15 -3.549 3.339 4.492 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.082 2.809 7.358 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.009 1.481 6.558 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.142 3.190 6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.642 1.969 4.887 1.00 0.00 H new ATOM 206 N PRO A 16 -3.386 0.362 7.251 1.00 0.00 N ATOM 207 CA PRO A 16 -2.685 -0.925 7.284 1.00 0.00 C ATOM 208 C PRO A 16 -3.307 -1.948 6.340 1.00 0.00 C ATOM 209 O PRO A 16 -4.359 -2.517 6.632 1.00 0.00 O ATOM 210 CB PRO A 16 -2.838 -1.376 8.738 1.00 0.00 C ATOM 211 CG PRO A 16 -4.073 -0.694 9.218 1.00 0.00 C ATOM 212 CD PRO A 16 -4.124 0.625 8.498 1.00 0.00 C ATOM 0 HA PRO A 16 -1.648 -0.833 6.960 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.931 -2.460 8.809 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.971 -1.091 9.334 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.958 -1.292 9.001 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.044 -0.548 10.298 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.150 0.935 8.300 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.658 1.419 9.081 1.00 0.00 H new ATOM 220 N VAL A 17 -2.650 -2.178 5.207 1.00 0.00 N ATOM 221 CA VAL A 17 -3.138 -3.134 4.221 1.00 0.00 C ATOM 222 C VAL A 17 -3.159 -4.548 4.791 1.00 0.00 C ATOM 223 O VAL A 17 -2.124 -5.086 5.184 1.00 0.00 O ATOM 224 CB VAL A 17 -2.272 -3.119 2.947 1.00 0.00 C ATOM 225 CG1 VAL A 17 -2.668 -4.256 2.019 1.00 0.00 C ATOM 226 CG2 VAL A 17 -2.390 -1.777 2.240 1.00 0.00 C ATOM 0 H VAL A 17 -1.778 -1.715 4.950 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.154 -2.833 3.964 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.230 -3.263 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.046 -4.229 1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.528 -5.208 2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.715 -4.147 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.772 -1.783 1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.430 -1.601 1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.053 -0.984 2.907 1.00 0.00 H new ATOM 236 N ALA A 18 -4.345 -5.146 4.831 1.00 0.00 N ATOM 237 CA ALA A 18 -4.501 -6.500 5.350 1.00 0.00 C ATOM 238 C ALA A 18 -5.014 -7.446 4.270 1.00 0.00 C ATOM 239 O ALA A 18 -6.158 -7.338 3.827 1.00 0.00 O ATOM 240 CB ALA A 18 -5.443 -6.501 6.545 1.00 0.00 C ATOM 0 H ALA A 18 -5.212 -4.715 4.510 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.522 -6.855 5.672 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.551 -7.518 6.923 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.036 -5.864 7.330 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.418 -6.122 6.240 1.00 0.00 H new ATOM 246 N LEU A 19 -4.160 -8.373 3.849 1.00 0.00 N ATOM 247 CA LEU A 19 -4.526 -9.339 2.819 1.00 0.00 C ATOM 248 C LEU A 19 -4.364 -10.767 3.330 1.00 0.00 C ATOM 249 O LEU A 19 -3.517 -11.040 4.181 1.00 0.00 O ATOM 250 CB LEU A 19 -3.669 -9.132 1.569 1.00 0.00 C ATOM 251 CG LEU A 19 -3.467 -7.682 1.127 1.00 0.00 C ATOM 252 CD1 LEU A 19 -2.260 -7.567 0.209 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.717 -7.157 0.435 1.00 0.00 C ATOM 0 H LEU A 19 -3.210 -8.476 4.205 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.574 -9.181 2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.690 -9.577 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.124 -9.682 0.745 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.283 -7.074 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.132 -6.528 -0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.368 -7.903 0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.414 -8.187 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.556 -6.124 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.931 -7.768 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.561 -7.203 1.124 1.00 0.00 H new ATOM 265 N ARG A 20 -5.180 -11.675 2.803 1.00 0.00 N ATOM 266 CA ARG A 20 -5.126 -13.075 3.205 1.00 0.00 C ATOM 267 C ARG A 20 -4.348 -13.904 2.186 1.00 0.00 C ATOM 268 O ARG A 20 -4.597 -13.818 0.984 1.00 0.00 O ATOM 269 CB ARG A 20 -6.540 -13.637 3.362 1.00 0.00 C ATOM 270 CG ARG A 20 -6.635 -14.773 4.368 1.00 0.00 C ATOM 271 CD ARG A 20 -8.081 -15.086 4.719 1.00 0.00 C ATOM 272 NE ARG A 20 -8.713 -15.946 3.722 1.00 0.00 N ATOM 273 CZ ARG A 20 -9.770 -16.710 3.974 1.00 0.00 C ATOM 274 NH1 ARG A 20 -10.310 -16.721 5.184 1.00 0.00 N ATOM 275 NH2 ARG A 20 -10.288 -17.465 3.014 1.00 0.00 N ATOM 0 H ARG A 20 -5.886 -11.466 2.097 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.611 -13.132 4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.209 -12.834 3.670 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.891 -13.991 2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.158 -15.664 3.959 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.089 -14.506 5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.120 -15.572 5.694 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.643 -14.156 4.804 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.321 -15.961 2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.914 -16.142 5.924 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.122 -17.309 5.375 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.875 -17.459 2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.100 -18.051 3.208 1.00 0.00 H new ATOM 289 N GLU A 21 -3.407 -14.704 2.676 1.00 0.00 N ATOM 290 CA GLU A 21 -2.592 -15.546 1.808 1.00 0.00 C ATOM 291 C GLU A 21 -3.419 -16.690 1.229 1.00 0.00 C ATOM 292 O GLU A 21 -4.506 -16.994 1.718 1.00 0.00 O ATOM 293 CB GLU A 21 -1.396 -16.106 2.580 1.00 0.00 C ATOM 294 CG GLU A 21 -1.776 -16.778 3.889 1.00 0.00 C ATOM 295 CD GLU A 21 -0.777 -17.837 4.313 1.00 0.00 C ATOM 296 OE1 GLU A 21 -0.553 -18.788 3.535 1.00 0.00 O ATOM 297 OE2 GLU A 21 -0.219 -17.713 5.423 1.00 0.00 O ATOM 0 H GLU A 21 -3.190 -14.787 3.669 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.228 -14.931 0.985 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.873 -16.826 1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.697 -15.296 2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.854 -16.023 4.671 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.761 -17.233 3.787 1.00 0.00 H new ATOM 304 N GLY A 22 -2.895 -17.321 0.183 1.00 0.00 N ATOM 305 CA GLY A 22 -3.597 -18.424 -0.447 1.00 0.00 C ATOM 306 C GLY A 22 -3.742 -18.240 -1.945 1.00 0.00 C ATOM 307 O GLY A 22 -2.867 -18.640 -2.712 1.00 0.00 O ATOM 0 H GLY A 22 -1.996 -17.088 -0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.061 -19.352 -0.248 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.586 -18.524 0.001 1.00 0.00 H new ATOM 311 N GLU A 23 -4.850 -17.635 -2.361 1.00 0.00 N ATOM 312 CA GLU A 23 -5.106 -17.402 -3.778 1.00 0.00 C ATOM 313 C GLU A 23 -4.322 -16.194 -4.281 1.00 0.00 C ATOM 314 O GLU A 23 -3.662 -15.501 -3.505 1.00 0.00 O ATOM 315 CB GLU A 23 -6.602 -17.191 -4.020 1.00 0.00 C ATOM 316 CG GLU A 23 -7.489 -17.934 -3.036 1.00 0.00 C ATOM 317 CD GLU A 23 -8.863 -18.236 -3.602 1.00 0.00 C ATOM 318 OE1 GLU A 23 -8.942 -18.963 -4.614 1.00 0.00 O ATOM 319 OE2 GLU A 23 -9.860 -17.744 -3.032 1.00 0.00 O ATOM 0 H GLU A 23 -5.584 -17.298 -1.738 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.777 -18.282 -4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.824 -16.125 -3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.847 -17.514 -5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.005 -18.868 -2.750 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.597 -17.339 -2.129 1.00 0.00 H new ATOM 326 N ASP A 24 -4.398 -15.947 -5.584 1.00 0.00 N ATOM 327 CA ASP A 24 -3.696 -14.823 -6.192 1.00 0.00 C ATOM 328 C ASP A 24 -4.482 -13.528 -6.006 1.00 0.00 C ATOM 329 O ASP A 24 -5.625 -13.414 -6.450 1.00 0.00 O ATOM 330 CB ASP A 24 -3.464 -15.084 -7.681 1.00 0.00 C ATOM 331 CG ASP A 24 -3.156 -16.539 -7.972 1.00 0.00 C ATOM 332 OD1 ASP A 24 -1.984 -16.941 -7.811 1.00 0.00 O ATOM 333 OD2 ASP A 24 -4.085 -17.277 -8.362 1.00 0.00 O ATOM 0 H ASP A 24 -4.939 -16.510 -6.240 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.731 -14.717 -5.696 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.349 -14.784 -8.242 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.639 -14.464 -8.031 1.00 0.00 H new ATOM 338 N LEU A 25 -3.861 -12.555 -5.348 1.00 0.00 N ATOM 339 CA LEU A 25 -4.502 -11.268 -5.102 1.00 0.00 C ATOM 340 C LEU A 25 -4.463 -10.393 -6.351 1.00 0.00 C ATOM 341 O LEU A 25 -3.949 -9.275 -6.321 1.00 0.00 O ATOM 342 CB LEU A 25 -3.817 -10.548 -3.939 1.00 0.00 C ATOM 343 CG LEU A 25 -4.330 -10.892 -2.541 1.00 0.00 C ATOM 344 CD1 LEU A 25 -5.810 -10.563 -2.420 1.00 0.00 C ATOM 345 CD2 LEU A 25 -4.081 -12.360 -2.227 1.00 0.00 C ATOM 0 H LEU A 25 -2.915 -12.633 -4.975 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.544 -11.453 -4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.751 -10.770 -3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.924 -9.474 -4.089 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.784 -10.289 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.158 -10.814 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.962 -9.499 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.372 -11.140 -3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.453 -12.586 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.600 -12.981 -2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.011 -12.565 -2.271 1.00 0.00 H new ATOM 357 N SER A 26 -5.011 -10.909 -7.446 1.00 0.00 N ATOM 358 CA SER A 26 -5.037 -10.175 -8.706 1.00 0.00 C ATOM 359 C SER A 26 -6.407 -9.545 -8.940 1.00 0.00 C ATOM 360 O SER A 26 -6.851 -9.401 -10.079 1.00 0.00 O ATOM 361 CB SER A 26 -4.686 -11.105 -9.869 1.00 0.00 C ATOM 362 OG SER A 26 -5.563 -12.218 -9.916 1.00 0.00 O ATOM 0 H SER A 26 -5.443 -11.832 -7.486 1.00 0.00 H new ATOM 0 HA SER A 26 -4.295 -9.379 -8.649 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.742 -10.555 -10.808 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.658 -11.452 -9.763 1.00 0.00 H new ATOM 0 HG SER A 26 -5.318 -12.796 -10.669 1.00 0.00 H new ATOM 368 N LYS A 27 -7.072 -9.171 -7.852 1.00 0.00 N ATOM 369 CA LYS A 27 -8.391 -8.555 -7.935 1.00 0.00 C ATOM 370 C LYS A 27 -8.429 -7.244 -7.155 1.00 0.00 C ATOM 371 O LYS A 27 -8.700 -6.183 -7.717 1.00 0.00 O ATOM 372 CB LYS A 27 -9.458 -9.511 -7.399 1.00 0.00 C ATOM 373 CG LYS A 27 -9.853 -10.596 -8.385 1.00 0.00 C ATOM 374 CD LYS A 27 -11.259 -11.108 -8.118 1.00 0.00 C ATOM 375 CE LYS A 27 -11.780 -11.939 -9.280 1.00 0.00 C ATOM 376 NZ LYS A 27 -12.160 -11.090 -10.443 1.00 0.00 N ATOM 0 H LYS A 27 -6.719 -9.284 -6.902 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.599 -8.340 -8.983 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.089 -9.978 -6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.345 -8.938 -7.128 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.794 -10.205 -9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.145 -11.423 -8.320 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.262 -11.710 -7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.927 -10.265 -7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.016 -12.654 -9.586 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.645 -12.517 -8.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.679 -11.664 -11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.765 -10.308 -10.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.302 -10.704 -10.886 1.00 0.00 H new ATOM 390 N LYS A 28 -8.154 -7.325 -5.857 1.00 0.00 N ATOM 391 CA LYS A 28 -8.155 -6.146 -5.000 1.00 0.00 C ATOM 392 C LYS A 28 -7.346 -5.016 -5.628 1.00 0.00 C ATOM 393 O LYS A 28 -7.730 -3.850 -5.555 1.00 0.00 O ATOM 394 CB LYS A 28 -7.583 -6.492 -3.623 1.00 0.00 C ATOM 395 CG LYS A 28 -8.611 -7.071 -2.666 1.00 0.00 C ATOM 396 CD LYS A 28 -9.254 -8.326 -3.231 1.00 0.00 C ATOM 397 CE LYS A 28 -10.135 -9.014 -2.199 1.00 0.00 C ATOM 398 NZ LYS A 28 -10.841 -10.194 -2.771 1.00 0.00 N ATOM 0 H LYS A 28 -7.928 -8.196 -5.376 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.186 -5.811 -4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.770 -7.207 -3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.153 -5.593 -3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.133 -7.303 -1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.381 -6.326 -2.463 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.850 -8.068 -4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.478 -9.015 -3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.524 -9.331 -1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.867 -8.304 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.431 -10.635 -2.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.443 -9.888 -3.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.142 -10.884 -3.114 1.00 0.00 H new ATOM 412 N ASN A 29 -6.224 -5.371 -6.247 1.00 0.00 N ATOM 413 CA ASN A 29 -5.361 -4.386 -6.890 1.00 0.00 C ATOM 414 C ASN A 29 -6.185 -3.377 -7.684 1.00 0.00 C ATOM 415 O ASN A 29 -7.167 -3.721 -8.343 1.00 0.00 O ATOM 416 CB ASN A 29 -4.358 -5.081 -7.813 1.00 0.00 C ATOM 417 CG ASN A 29 -3.592 -6.183 -7.108 1.00 0.00 C ATOM 418 OD1 ASN A 29 -3.344 -6.111 -5.904 1.00 0.00 O ATOM 419 ND2 ASN A 29 -3.212 -7.212 -7.857 1.00 0.00 N ATOM 0 H ASN A 29 -5.891 -6.333 -6.317 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.818 -3.852 -6.111 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.886 -5.500 -8.669 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.655 -4.344 -8.201 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.693 -7.984 -7.438 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.439 -7.230 -8.851 1.00 0.00 H new ATOM 426 N PRO A 30 -5.778 -2.100 -7.621 1.00 0.00 N ATOM 427 CA PRO A 30 -4.612 -1.679 -6.839 1.00 0.00 C ATOM 428 C PRO A 30 -4.855 -1.778 -5.337 1.00 0.00 C ATOM 429 O PRO A 30 -5.933 -1.436 -4.849 1.00 0.00 O ATOM 430 CB PRO A 30 -4.416 -0.219 -7.254 1.00 0.00 C ATOM 431 CG PRO A 30 -5.764 0.234 -7.697 1.00 0.00 C ATOM 432 CD PRO A 30 -6.425 -0.970 -8.308 1.00 0.00 C ATOM 0 HA PRO A 30 -3.744 -2.311 -7.028 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.050 0.383 -6.422 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.685 -0.131 -8.058 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.344 0.613 -6.856 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.685 1.045 -8.421 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.503 -0.964 -8.144 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.267 -1.011 -9.386 1.00 0.00 H new ATOM 440 N ILE A 31 -3.847 -2.247 -4.609 1.00 0.00 N ATOM 441 CA ILE A 31 -3.952 -2.389 -3.162 1.00 0.00 C ATOM 442 C ILE A 31 -3.305 -1.209 -2.446 1.00 0.00 C ATOM 443 O ILE A 31 -3.365 -1.104 -1.221 1.00 0.00 O ATOM 444 CB ILE A 31 -3.294 -3.694 -2.676 1.00 0.00 C ATOM 445 CG1 ILE A 31 -1.862 -3.797 -3.205 1.00 0.00 C ATOM 446 CG2 ILE A 31 -4.115 -4.897 -3.115 1.00 0.00 C ATOM 447 CD1 ILE A 31 -0.998 -4.764 -2.427 1.00 0.00 C ATOM 0 H ILE A 31 -2.949 -2.535 -4.997 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.015 -2.417 -2.923 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.258 -3.682 -1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.891 -4.108 -4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.402 -2.809 -3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.637 -5.811 -2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.118 -4.827 -2.693 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.180 -4.916 -4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.003 -4.785 -2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.938 -4.443 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.435 -5.761 -2.474 1.00 0.00 H new ATOM 459 N ALA A 32 -2.688 -0.321 -3.219 1.00 0.00 N ATOM 460 CA ALA A 32 -2.033 0.855 -2.658 1.00 0.00 C ATOM 461 C ALA A 32 -1.606 1.822 -3.758 1.00 0.00 C ATOM 462 O ALA A 32 -1.360 1.417 -4.894 1.00 0.00 O ATOM 463 CB ALA A 32 -0.832 0.442 -1.821 1.00 0.00 C ATOM 0 H ALA A 32 -2.628 -0.393 -4.235 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.750 1.368 -2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.353 1.330 -1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.161 -0.204 -1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.120 -0.097 -2.447 1.00 0.00 H new ATOM 469 N LYS A 33 -1.520 3.102 -3.413 1.00 0.00 N ATOM 470 CA LYS A 33 -1.123 4.128 -4.370 1.00 0.00 C ATOM 471 C LYS A 33 -0.989 5.486 -3.688 1.00 0.00 C ATOM 472 O LYS A 33 -1.964 6.027 -3.166 1.00 0.00 O ATOM 473 CB LYS A 33 -2.142 4.215 -5.508 1.00 0.00 C ATOM 474 CG LYS A 33 -3.579 4.335 -5.030 1.00 0.00 C ATOM 475 CD LYS A 33 -4.535 4.562 -6.189 1.00 0.00 C ATOM 476 CE LYS A 33 -4.900 3.255 -6.875 1.00 0.00 C ATOM 477 NZ LYS A 33 -5.986 3.439 -7.877 1.00 0.00 N ATOM 0 H LYS A 33 -1.720 3.454 -2.477 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.152 3.850 -4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.903 5.075 -6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.050 3.329 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.863 3.428 -4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.660 5.161 -4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.440 5.048 -5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.078 5.238 -6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.018 2.844 -7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.216 2.528 -6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.747 2.754 -7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.365 4.405 -7.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.606 3.287 -8.833 1.00 0.00 H new ATOM 491 N ILE A 34 0.223 6.030 -3.697 1.00 0.00 N ATOM 492 CA ILE A 34 0.483 7.326 -3.082 1.00 0.00 C ATOM 493 C ILE A 34 1.018 8.322 -4.104 1.00 0.00 C ATOM 494 O ILE A 34 1.673 7.942 -5.075 1.00 0.00 O ATOM 495 CB ILE A 34 1.489 7.206 -1.922 1.00 0.00 C ATOM 496 CG1 ILE A 34 2.804 6.601 -2.419 1.00 0.00 C ATOM 497 CG2 ILE A 34 0.904 6.365 -0.797 1.00 0.00 C ATOM 498 CD1 ILE A 34 3.797 7.632 -2.909 1.00 0.00 C ATOM 0 H ILE A 34 1.040 5.594 -4.123 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.468 7.687 -2.691 1.00 0.00 H new ATOM 0 HB ILE A 34 1.694 8.204 -1.534 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.258 6.026 -1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.590 5.902 -3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.627 6.290 0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.008 6.834 -0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.673 5.367 -1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.705 7.132 -3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.362 8.191 -3.738 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.040 8.317 -2.097 1.00 0.00 H new ATOM 510 N HIS A 35 0.737 9.602 -3.878 1.00 0.00 N ATOM 511 CA HIS A 35 1.192 10.655 -4.779 1.00 0.00 C ATOM 512 C HIS A 35 0.876 12.034 -4.206 1.00 0.00 C ATOM 513 O HIS A 35 0.006 12.175 -3.347 1.00 0.00 O ATOM 514 CB HIS A 35 0.539 10.499 -6.152 1.00 0.00 C ATOM 515 CG HIS A 35 -0.930 10.790 -6.154 1.00 0.00 C ATOM 516 ND1 HIS A 35 -1.461 11.977 -6.612 1.00 0.00 N ATOM 517 CD2 HIS A 35 -1.982 10.040 -5.751 1.00 0.00 C ATOM 518 CE1 HIS A 35 -2.776 11.945 -6.489 1.00 0.00 C ATOM 519 NE2 HIS A 35 -3.118 10.780 -5.969 1.00 0.00 N ATOM 0 H HIS A 35 0.197 9.935 -3.079 1.00 0.00 H new ATOM 0 HA HIS A 35 2.273 10.564 -4.887 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.034 11.166 -6.858 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.700 9.481 -6.508 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.936 9.044 -5.335 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.456 12.737 -6.767 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.071 10.479 -5.763 1.00 0.00 H new ATOM 528 N SER A 36 1.590 13.047 -4.687 1.00 0.00 N ATOM 529 CA SER A 36 1.388 14.413 -4.220 1.00 0.00 C ATOM 530 C SER A 36 0.310 15.115 -5.040 1.00 0.00 C ATOM 531 O SER A 36 0.253 14.972 -6.262 1.00 0.00 O ATOM 532 CB SER A 36 2.698 15.200 -4.300 1.00 0.00 C ATOM 533 OG SER A 36 2.906 15.713 -5.604 1.00 0.00 O ATOM 0 H SER A 36 2.313 12.947 -5.399 1.00 0.00 H new ATOM 0 HA SER A 36 1.059 14.370 -3.182 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.678 16.020 -3.582 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.531 14.554 -4.023 1.00 0.00 H new ATOM 0 HG SER A 36 3.748 16.213 -5.628 1.00 0.00 H new ATOM 539 N ASP A 37 -0.543 15.872 -4.359 1.00 0.00 N ATOM 540 CA ASP A 37 -1.620 16.597 -5.023 1.00 0.00 C ATOM 541 C ASP A 37 -1.060 17.616 -6.011 1.00 0.00 C ATOM 542 O ASP A 37 -1.574 17.769 -7.120 1.00 0.00 O ATOM 543 CB ASP A 37 -2.503 17.300 -3.991 1.00 0.00 C ATOM 544 CG ASP A 37 -3.168 16.326 -3.039 1.00 0.00 C ATOM 545 OD1 ASP A 37 -3.970 15.492 -3.509 1.00 0.00 O ATOM 546 OD2 ASP A 37 -2.887 16.398 -1.824 1.00 0.00 O ATOM 0 H ASP A 37 -0.510 16.000 -3.348 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.224 15.876 -5.575 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.899 18.006 -3.421 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.269 17.880 -4.507 1.00 0.00 H new ATOM 551 N LEU A 38 -0.006 18.313 -5.601 1.00 0.00 N ATOM 552 CA LEU A 38 0.623 19.319 -6.449 1.00 0.00 C ATOM 553 C LEU A 38 0.752 18.818 -7.884 1.00 0.00 C ATOM 554 O LEU A 38 0.817 19.609 -8.824 1.00 0.00 O ATOM 555 CB LEU A 38 2.003 19.687 -5.899 1.00 0.00 C ATOM 556 CG LEU A 38 2.034 20.811 -4.863 1.00 0.00 C ATOM 557 CD1 LEU A 38 3.273 20.696 -3.989 1.00 0.00 C ATOM 558 CD2 LEU A 38 1.986 22.169 -5.547 1.00 0.00 C ATOM 0 H LEU A 38 0.431 18.200 -4.686 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.010 20.206 -6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.444 18.796 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.641 19.973 -6.735 1.00 0.00 H new ATOM 0 HG LEU A 38 1.154 20.717 -4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.279 21.504 -3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.265 19.737 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.165 20.764 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.009 22.957 -4.794 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.846 22.274 -6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.068 22.251 -6.130 1.00 0.00 H new ATOM 570 N ALA A 39 0.786 17.499 -8.044 1.00 0.00 N ATOM 571 CA ALA A 39 0.903 16.893 -9.365 1.00 0.00 C ATOM 572 C ALA A 39 -0.289 17.258 -10.243 1.00 0.00 C ATOM 573 O ALA A 39 -0.133 17.899 -11.282 1.00 0.00 O ATOM 574 CB ALA A 39 1.027 15.382 -9.242 1.00 0.00 C ATOM 0 H ALA A 39 0.734 16.830 -7.276 1.00 0.00 H new ATOM 0 HA ALA A 39 1.803 17.283 -9.839 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.114 14.942 -10.235 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.914 15.136 -8.658 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.143 14.984 -8.745 1.00 0.00 H new ATOM 580 N GLU A 40 -1.479 16.844 -9.820 1.00 0.00 N ATOM 581 CA GLU A 40 -2.697 17.127 -10.570 1.00 0.00 C ATOM 582 C GLU A 40 -3.019 18.618 -10.544 1.00 0.00 C ATOM 583 O GLU A 40 -3.538 19.169 -11.514 1.00 0.00 O ATOM 584 CB GLU A 40 -3.872 16.330 -9.999 1.00 0.00 C ATOM 585 CG GLU A 40 -3.929 16.335 -8.480 1.00 0.00 C ATOM 586 CD GLU A 40 -5.321 16.055 -7.948 1.00 0.00 C ATOM 587 OE1 GLU A 40 -6.189 15.643 -8.746 1.00 0.00 O ATOM 588 OE2 GLU A 40 -5.542 16.248 -6.734 1.00 0.00 O ATOM 0 H GLU A 40 -1.626 16.312 -8.962 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.533 16.827 -11.605 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.803 16.740 -10.391 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.806 15.300 -10.348 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.238 15.587 -8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.591 17.303 -8.111 1.00 0.00 H new ATOM 595 N GLU A 41 -2.707 19.265 -9.425 1.00 0.00 N ATOM 596 CA GLU A 41 -2.964 20.692 -9.271 1.00 0.00 C ATOM 597 C GLU A 41 -2.140 21.504 -10.267 1.00 0.00 C ATOM 598 O GLU A 41 -2.685 22.280 -11.052 1.00 0.00 O ATOM 599 CB GLU A 41 -2.644 21.139 -7.843 1.00 0.00 C ATOM 600 CG GLU A 41 -3.827 21.040 -6.895 1.00 0.00 C ATOM 601 CD GLU A 41 -5.105 21.591 -7.496 1.00 0.00 C ATOM 602 OE1 GLU A 41 -5.222 22.829 -7.610 1.00 0.00 O ATOM 603 OE2 GLU A 41 -5.989 20.784 -7.853 1.00 0.00 O ATOM 0 H GLU A 41 -2.276 18.824 -8.613 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.021 20.869 -9.471 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.827 20.531 -7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.292 22.170 -7.864 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.980 19.997 -6.619 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.599 21.582 -5.977 1.00 0.00 H new ATOM 610 N ARG A 42 -0.825 21.318 -10.227 1.00 0.00 N ATOM 611 CA ARG A 42 0.075 22.034 -11.124 1.00 0.00 C ATOM 612 C ARG A 42 0.178 21.324 -12.471 1.00 0.00 C ATOM 613 O ARG A 42 0.031 21.944 -13.523 1.00 0.00 O ATOM 614 CB ARG A 42 1.463 22.160 -10.494 1.00 0.00 C ATOM 615 CG ARG A 42 1.548 23.227 -9.415 1.00 0.00 C ATOM 616 CD ARG A 42 1.821 24.600 -10.010 1.00 0.00 C ATOM 617 NE ARG A 42 1.371 25.677 -9.131 1.00 0.00 N ATOM 618 CZ ARG A 42 1.768 26.938 -9.253 1.00 0.00 C ATOM 619 NH1 ARG A 42 2.617 27.281 -10.211 1.00 0.00 N ATOM 620 NH2 ARG A 42 1.314 27.861 -8.414 1.00 0.00 N ATOM 0 H ARG A 42 -0.359 20.678 -9.584 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.333 23.031 -11.289 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.747 21.199 -10.066 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.188 22.387 -11.276 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.615 23.252 -8.852 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.339 22.971 -8.710 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.889 24.708 -10.198 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.318 24.684 -10.973 1.00 0.00 H new ATOM 0 HE ARG A 42 0.716 25.448 -8.383 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.968 26.575 -10.858 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.919 28.251 -10.301 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.660 27.601 -7.675 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.619 28.830 -8.508 1.00 0.00 H new ATOM 634 N GLY A 43 0.433 20.020 -12.429 1.00 0.00 N ATOM 635 CA GLY A 43 0.552 19.248 -13.652 1.00 0.00 C ATOM 636 C GLY A 43 1.942 18.674 -13.842 1.00 0.00 C ATOM 637 O GLY A 43 2.389 18.472 -14.972 1.00 0.00 O ATOM 0 H GLY A 43 0.559 19.485 -11.570 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.174 18.435 -13.637 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.304 19.882 -14.504 1.00 0.00 H new ATOM 641 N LEU A 44 2.629 18.413 -12.735 1.00 0.00 N ATOM 642 CA LEU A 44 3.978 17.860 -12.785 1.00 0.00 C ATOM 643 C LEU A 44 3.949 16.340 -12.660 1.00 0.00 C ATOM 644 O LEU A 44 3.009 15.770 -12.106 1.00 0.00 O ATOM 645 CB LEU A 44 4.837 18.459 -11.669 1.00 0.00 C ATOM 646 CG LEU A 44 4.922 19.985 -11.634 1.00 0.00 C ATOM 647 CD1 LEU A 44 5.143 20.475 -10.211 1.00 0.00 C ATOM 648 CD2 LEU A 44 6.034 20.479 -12.548 1.00 0.00 C ATOM 0 H LEU A 44 2.274 18.575 -11.793 1.00 0.00 H new ATOM 0 HA LEU A 44 4.414 18.118 -13.750 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.445 18.115 -10.712 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.847 18.061 -11.762 1.00 0.00 H new ATOM 0 HG LEU A 44 3.976 20.390 -11.994 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.201 21.563 -10.206 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.313 20.153 -9.582 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.074 20.060 -9.824 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.080 21.567 -12.510 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.987 20.064 -12.219 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.833 20.160 -13.571 1.00 0.00 H new ATOM 660 N LYS A 45 4.986 15.690 -13.176 1.00 0.00 N ATOM 661 CA LYS A 45 5.083 14.236 -13.119 1.00 0.00 C ATOM 662 C LYS A 45 5.905 13.791 -11.914 1.00 0.00 C ATOM 663 O LYS A 45 7.128 13.672 -11.995 1.00 0.00 O ATOM 664 CB LYS A 45 5.712 13.696 -14.406 1.00 0.00 C ATOM 665 CG LYS A 45 5.829 12.182 -14.436 1.00 0.00 C ATOM 666 CD LYS A 45 5.959 11.661 -15.858 1.00 0.00 C ATOM 667 CE LYS A 45 6.738 10.355 -15.904 1.00 0.00 C ATOM 668 NZ LYS A 45 8.207 10.583 -15.819 1.00 0.00 N ATOM 0 H LYS A 45 5.772 16.147 -13.639 1.00 0.00 H new ATOM 0 HA LYS A 45 4.075 13.834 -13.017 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.115 14.023 -15.257 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.704 14.131 -14.526 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.696 11.871 -13.853 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.952 11.739 -13.964 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.967 11.509 -16.283 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.460 12.407 -16.475 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.422 9.714 -15.081 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.505 9.826 -16.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.703 9.669 -15.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.513 11.174 -16.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.432 11.065 -14.926 1.00 0.00 H new ATOM 682 N ILE A 46 5.226 13.547 -10.798 1.00 0.00 N ATOM 683 CA ILE A 46 5.895 13.114 -9.577 1.00 0.00 C ATOM 684 C ILE A 46 6.381 11.673 -9.699 1.00 0.00 C ATOM 685 O ILE A 46 5.756 10.849 -10.367 1.00 0.00 O ATOM 686 CB ILE A 46 4.965 13.228 -8.355 1.00 0.00 C ATOM 687 CG1 ILE A 46 4.369 14.635 -8.271 1.00 0.00 C ATOM 688 CG2 ILE A 46 5.722 12.891 -7.080 1.00 0.00 C ATOM 689 CD1 ILE A 46 5.403 15.718 -8.056 1.00 0.00 C ATOM 0 H ILE A 46 4.214 13.642 -10.714 1.00 0.00 H new ATOM 0 HA ILE A 46 6.751 13.774 -9.435 1.00 0.00 H new ATOM 0 HB ILE A 46 4.149 12.514 -8.469 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.821 14.844 -9.190 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.647 14.667 -7.455 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.051 12.976 -6.225 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.103 11.872 -7.142 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.555 13.583 -6.958 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.909 16.688 -8.006 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.934 15.533 -7.122 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.112 15.714 -8.884 1.00 0.00 H new ATOM 701 N THR A 47 7.500 11.375 -9.046 1.00 0.00 N ATOM 702 CA THR A 47 8.070 10.034 -9.080 1.00 0.00 C ATOM 703 C THR A 47 7.806 9.292 -7.775 1.00 0.00 C ATOM 704 O THR A 47 7.915 9.864 -6.690 1.00 0.00 O ATOM 705 CB THR A 47 9.589 10.076 -9.335 1.00 0.00 C ATOM 706 OG1 THR A 47 9.876 10.939 -10.442 1.00 0.00 O ATOM 707 CG2 THR A 47 10.128 8.682 -9.619 1.00 0.00 C ATOM 0 H THR A 47 8.029 12.044 -8.487 1.00 0.00 H new ATOM 0 HA THR A 47 7.586 9.505 -9.901 1.00 0.00 H new ATOM 0 HB THR A 47 10.076 10.461 -8.439 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.843 10.962 -10.597 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.202 8.736 -9.796 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.933 8.035 -8.763 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.635 8.274 -10.501 1.00 0.00 H new ATOM 715 N TYR A 48 7.460 8.014 -7.887 1.00 0.00 N ATOM 716 CA TYR A 48 7.179 7.193 -6.715 1.00 0.00 C ATOM 717 C TYR A 48 8.027 5.925 -6.722 1.00 0.00 C ATOM 718 O TYR A 48 8.104 5.220 -7.728 1.00 0.00 O ATOM 719 CB TYR A 48 5.695 6.827 -6.667 1.00 0.00 C ATOM 720 CG TYR A 48 4.790 7.886 -7.255 1.00 0.00 C ATOM 721 CD1 TYR A 48 4.774 9.177 -6.741 1.00 0.00 C ATOM 722 CD2 TYR A 48 3.951 7.597 -8.323 1.00 0.00 C ATOM 723 CE1 TYR A 48 3.949 10.149 -7.274 1.00 0.00 C ATOM 724 CE2 TYR A 48 3.124 8.562 -8.864 1.00 0.00 C ATOM 725 CZ TYR A 48 3.126 9.836 -8.336 1.00 0.00 C ATOM 726 OH TYR A 48 2.303 10.800 -8.871 1.00 0.00 O ATOM 0 H TYR A 48 7.367 7.524 -8.777 1.00 0.00 H new ATOM 0 HA TYR A 48 7.432 7.773 -5.828 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.543 5.891 -7.205 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.407 6.649 -5.631 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.418 9.425 -5.910 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.945 6.600 -8.738 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.949 11.147 -6.862 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.479 8.320 -9.696 1.00 0.00 H new ATOM 0 HH TYR A 48 1.790 10.417 -9.613 1.00 0.00 H new ATOM 736 N LYS A 49 8.663 5.641 -5.590 1.00 0.00 N ATOM 737 CA LYS A 49 9.505 4.457 -5.462 1.00 0.00 C ATOM 738 C LYS A 49 9.186 3.699 -4.177 1.00 0.00 C ATOM 739 O LYS A 49 8.686 4.277 -3.212 1.00 0.00 O ATOM 740 CB LYS A 49 10.983 4.853 -5.480 1.00 0.00 C ATOM 741 CG LYS A 49 11.544 5.174 -4.105 1.00 0.00 C ATOM 742 CD LYS A 49 12.693 6.164 -4.188 1.00 0.00 C ATOM 743 CE LYS A 49 13.673 5.978 -3.040 1.00 0.00 C ATOM 744 NZ LYS A 49 14.876 6.842 -3.193 1.00 0.00 N ATOM 0 H LYS A 49 8.611 6.215 -4.748 1.00 0.00 H new ATOM 0 HA LYS A 49 9.300 3.803 -6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.563 4.041 -5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.110 5.721 -6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.754 5.584 -3.476 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.887 4.256 -3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.215 6.039 -5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.301 7.181 -4.172 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.177 6.210 -2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.980 4.933 -2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.520 6.686 -2.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.364 6.604 -4.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.586 7.840 -3.215 1.00 0.00 H new ATOM 758 N TYR A 50 9.481 2.404 -4.172 1.00 0.00 N ATOM 759 CA TYR A 50 9.224 1.567 -3.006 1.00 0.00 C ATOM 760 C TYR A 50 10.458 0.747 -2.642 1.00 0.00 C ATOM 761 O TYR A 50 11.076 0.117 -3.501 1.00 0.00 O ATOM 762 CB TYR A 50 8.040 0.637 -3.270 1.00 0.00 C ATOM 763 CG TYR A 50 6.694 1.299 -3.075 1.00 0.00 C ATOM 764 CD1 TYR A 50 6.112 2.046 -4.092 1.00 0.00 C ATOM 765 CD2 TYR A 50 6.006 1.178 -1.874 1.00 0.00 C ATOM 766 CE1 TYR A 50 4.884 2.654 -3.918 1.00 0.00 C ATOM 767 CE2 TYR A 50 4.776 1.781 -1.693 1.00 0.00 C ATOM 768 CZ TYR A 50 4.220 2.518 -2.717 1.00 0.00 C ATOM 769 OH TYR A 50 2.996 3.121 -2.539 1.00 0.00 O ATOM 0 H TYR A 50 9.898 1.911 -4.962 1.00 0.00 H new ATOM 0 HA TYR A 50 8.983 2.221 -2.167 1.00 0.00 H new ATOM 0 HB2 TYR A 50 8.106 0.260 -4.291 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.111 -0.225 -2.607 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.629 2.153 -5.034 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.440 0.603 -1.069 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.446 3.233 -4.718 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.253 1.676 -0.754 1.00 0.00 H new ATOM 0 HH TYR A 50 2.663 2.926 -1.638 1.00 0.00 H new ATOM 779 N THR A 51 10.812 0.758 -1.360 1.00 0.00 N ATOM 780 CA THR A 51 11.971 0.017 -0.881 1.00 0.00 C ATOM 781 C THR A 51 11.607 -0.867 0.307 1.00 0.00 C ATOM 782 O THR A 51 10.983 -0.410 1.264 1.00 0.00 O ATOM 783 CB THR A 51 13.113 0.965 -0.469 1.00 0.00 C ATOM 784 OG1 THR A 51 12.651 1.885 0.526 1.00 0.00 O ATOM 785 CG2 THR A 51 13.640 1.733 -1.673 1.00 0.00 C ATOM 0 H THR A 51 10.312 1.273 -0.635 1.00 0.00 H new ATOM 0 HA THR A 51 12.308 -0.609 -1.707 1.00 0.00 H new ATOM 0 HB THR A 51 13.924 0.364 -0.058 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.925 1.474 1.040 1.00 0.00 H new ATOM 0 HG21 THR A 51 14.446 2.396 -1.358 1.00 0.00 H new ATOM 0 HG22 THR A 51 14.018 1.030 -2.416 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.834 2.323 -2.109 1.00 0.00 H new ATOM 793 N GLY A 52 12.000 -2.135 0.238 1.00 0.00 N ATOM 794 CA GLY A 52 11.706 -3.062 1.315 1.00 0.00 C ATOM 795 C GLY A 52 11.657 -4.502 0.843 1.00 0.00 C ATOM 796 O GLY A 52 12.100 -4.817 -0.261 1.00 0.00 O ATOM 0 H GLY A 52 12.517 -2.537 -0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.464 -2.963 2.092 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.750 -2.798 1.767 1.00 0.00 H new ATOM 800 N LYS A 53 11.117 -5.379 1.682 1.00 0.00 N ATOM 801 CA LYS A 53 11.010 -6.794 1.346 1.00 0.00 C ATOM 802 C LYS A 53 10.100 -7.000 0.140 1.00 0.00 C ATOM 803 O LYS A 53 8.943 -6.584 0.145 1.00 0.00 O ATOM 804 CB LYS A 53 10.476 -7.585 2.543 1.00 0.00 C ATOM 805 CG LYS A 53 10.328 -9.072 2.272 1.00 0.00 C ATOM 806 CD LYS A 53 10.430 -9.885 3.551 1.00 0.00 C ATOM 807 CE LYS A 53 9.141 -9.822 4.356 1.00 0.00 C ATOM 808 NZ LYS A 53 9.076 -10.896 5.385 1.00 0.00 N ATOM 0 H LYS A 53 10.746 -5.135 2.600 1.00 0.00 H new ATOM 0 HA LYS A 53 12.006 -7.158 1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.147 -7.444 3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.507 -7.179 2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.366 -9.262 1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.100 -9.394 1.573 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.657 -10.923 3.307 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.256 -9.512 4.156 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.063 -8.849 4.841 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.288 -9.912 3.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.161 -10.850 5.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.176 -11.824 4.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.846 -10.766 6.072 1.00 0.00 H new ATOM 822 N GLY A 54 10.632 -7.647 -0.893 1.00 0.00 N ATOM 823 CA GLY A 54 9.853 -7.898 -2.092 1.00 0.00 C ATOM 824 C GLY A 54 10.367 -7.126 -3.290 1.00 0.00 C ATOM 825 O GLY A 54 10.174 -7.540 -4.434 1.00 0.00 O ATOM 0 H GLY A 54 11.588 -8.002 -0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.871 -8.965 -2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.813 -7.628 -1.909 1.00 0.00 H new ATOM 829 N ILE A 55 11.023 -6.000 -3.029 1.00 0.00 N ATOM 830 CA ILE A 55 11.566 -5.168 -4.096 1.00 0.00 C ATOM 831 C ILE A 55 13.088 -5.102 -4.021 1.00 0.00 C ATOM 832 O ILE A 55 13.785 -5.470 -4.967 1.00 0.00 O ATOM 833 CB ILE A 55 10.997 -3.738 -4.039 1.00 0.00 C ATOM 834 CG1 ILE A 55 9.468 -3.774 -4.049 1.00 0.00 C ATOM 835 CG2 ILE A 55 11.521 -2.914 -5.206 1.00 0.00 C ATOM 836 CD1 ILE A 55 8.830 -2.505 -3.528 1.00 0.00 C ATOM 0 H ILE A 55 11.191 -5.643 -2.088 1.00 0.00 H new ATOM 0 HA ILE A 55 11.271 -5.630 -5.038 1.00 0.00 H new ATOM 0 HB ILE A 55 11.324 -3.268 -3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.124 -3.952 -5.068 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.129 -4.616 -3.446 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.110 -1.906 -5.153 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.609 -2.866 -5.158 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.219 -3.379 -6.144 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.745 -2.602 -3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.145 -2.336 -2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.140 -1.662 -4.146 1.00 0.00 H new ATOM 848 N THR A 56 13.599 -4.630 -2.887 1.00 0.00 N ATOM 849 CA THR A 56 15.038 -4.515 -2.687 1.00 0.00 C ATOM 850 C THR A 56 15.611 -5.788 -2.075 1.00 0.00 C ATOM 851 O THR A 56 16.794 -6.085 -2.233 1.00 0.00 O ATOM 852 CB THR A 56 15.385 -3.321 -1.779 1.00 0.00 C ATOM 853 OG1 THR A 56 14.801 -3.504 -0.484 1.00 0.00 O ATOM 854 CG2 THR A 56 14.888 -2.017 -2.386 1.00 0.00 C ATOM 0 H THR A 56 13.037 -4.321 -2.094 1.00 0.00 H new ATOM 0 HA THR A 56 15.482 -4.356 -3.670 1.00 0.00 H new ATOM 0 HB THR A 56 16.470 -3.269 -1.684 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.001 -4.064 -0.562 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.145 -1.188 -1.727 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.357 -1.866 -3.358 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.806 -2.062 -2.508 1.00 0.00 H new ATOM 862 N GLU A 57 14.763 -6.537 -1.375 1.00 0.00 N ATOM 863 CA GLU A 57 15.187 -7.779 -0.739 1.00 0.00 C ATOM 864 C GLU A 57 14.285 -8.938 -1.153 1.00 0.00 C ATOM 865 O GLU A 57 13.102 -8.763 -1.444 1.00 0.00 O ATOM 866 CB GLU A 57 15.176 -7.627 0.783 1.00 0.00 C ATOM 867 CG GLU A 57 16.205 -6.638 1.304 1.00 0.00 C ATOM 868 CD GLU A 57 16.027 -6.334 2.779 1.00 0.00 C ATOM 869 OE1 GLU A 57 14.896 -6.489 3.284 1.00 0.00 O ATOM 870 OE2 GLU A 57 17.019 -5.940 3.428 1.00 0.00 O ATOM 0 H GLU A 57 13.780 -6.305 -1.234 1.00 0.00 H new ATOM 0 HA GLU A 57 16.203 -7.998 -1.068 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.184 -7.307 1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.357 -8.601 1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.205 -7.038 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.134 -5.711 0.735 1.00 0.00 H new ATOM 877 N PRO A 58 14.856 -10.151 -1.181 1.00 0.00 N ATOM 878 CA PRO A 58 14.123 -11.363 -1.557 1.00 0.00 C ATOM 879 C PRO A 58 13.090 -11.765 -0.509 1.00 0.00 C ATOM 880 O PRO A 58 13.063 -11.239 0.604 1.00 0.00 O ATOM 881 CB PRO A 58 15.220 -12.424 -1.661 1.00 0.00 C ATOM 882 CG PRO A 58 16.307 -11.934 -0.767 1.00 0.00 C ATOM 883 CD PRO A 58 16.262 -10.433 -0.846 1.00 0.00 C ATOM 0 HA PRO A 58 13.555 -11.226 -2.477 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.857 -13.401 -1.344 1.00 0.00 H new ATOM 0 HB3 PRO A 58 15.570 -12.532 -2.688 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.154 -12.276 0.257 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.277 -12.313 -1.088 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.550 -9.972 0.099 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.941 -10.050 -1.608 1.00 0.00 H new ATOM 891 N PRO A 59 12.220 -12.719 -0.870 1.00 0.00 N ATOM 892 CA PRO A 59 12.242 -13.352 -2.192 1.00 0.00 C ATOM 893 C PRO A 59 11.805 -12.398 -3.299 1.00 0.00 C ATOM 894 O PRO A 59 10.720 -11.820 -3.241 1.00 0.00 O ATOM 895 CB PRO A 59 11.242 -14.502 -2.052 1.00 0.00 C ATOM 896 CG PRO A 59 10.316 -14.069 -0.968 1.00 0.00 C ATOM 897 CD PRO A 59 11.147 -13.254 -0.015 1.00 0.00 C ATOM 0 HA PRO A 59 13.245 -13.673 -2.473 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.706 -14.676 -2.985 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.744 -15.434 -1.795 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.493 -13.479 -1.371 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.875 -14.929 -0.464 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.564 -12.456 0.445 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.545 -13.865 0.795 1.00 0.00 H new ATOM 905 N PHE A 60 12.657 -12.238 -4.306 1.00 0.00 N ATOM 906 CA PHE A 60 12.359 -11.353 -5.426 1.00 0.00 C ATOM 907 C PHE A 60 11.087 -11.794 -6.144 1.00 0.00 C ATOM 908 O PHE A 60 10.645 -12.934 -6.004 1.00 0.00 O ATOM 909 CB PHE A 60 13.530 -11.328 -6.410 1.00 0.00 C ATOM 910 CG PHE A 60 14.860 -11.596 -5.765 1.00 0.00 C ATOM 911 CD1 PHE A 60 15.417 -10.680 -4.888 1.00 0.00 C ATOM 912 CD2 PHE A 60 15.553 -12.765 -6.036 1.00 0.00 C ATOM 913 CE1 PHE A 60 16.641 -10.925 -4.294 1.00 0.00 C ATOM 914 CE2 PHE A 60 16.777 -13.015 -5.445 1.00 0.00 C ATOM 915 CZ PHE A 60 17.321 -12.094 -4.572 1.00 0.00 C ATOM 0 H PHE A 60 13.559 -12.710 -4.370 1.00 0.00 H new ATOM 0 HA PHE A 60 12.204 -10.349 -5.031 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.356 -12.071 -7.188 1.00 0.00 H new ATOM 0 HB3 PHE A 60 13.562 -10.355 -6.900 1.00 0.00 H new ATOM 0 HD1 PHE A 60 14.889 -9.764 -4.666 1.00 0.00 H new ATOM 0 HD2 PHE A 60 15.132 -13.489 -6.717 1.00 0.00 H new ATOM 0 HE1 PHE A 60 17.065 -10.202 -3.613 1.00 0.00 H new ATOM 0 HE2 PHE A 60 17.307 -13.930 -5.666 1.00 0.00 H new ATOM 0 HZ PHE A 60 18.277 -12.288 -4.107 1.00 0.00 H new ATOM 925 N GLY A 61 10.501 -10.881 -6.914 1.00 0.00 N ATOM 926 CA GLY A 61 9.285 -11.194 -7.642 1.00 0.00 C ATOM 927 C GLY A 61 8.071 -11.266 -6.738 1.00 0.00 C ATOM 928 O GLY A 61 7.417 -12.306 -6.646 1.00 0.00 O ATOM 0 H GLY A 61 10.847 -9.931 -7.046 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.119 -10.437 -8.409 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.408 -12.147 -8.156 1.00 0.00 H new ATOM 932 N ILE A 62 7.768 -10.159 -6.067 1.00 0.00 N ATOM 933 CA ILE A 62 6.624 -10.102 -5.166 1.00 0.00 C ATOM 934 C ILE A 62 5.762 -8.876 -5.449 1.00 0.00 C ATOM 935 O ILE A 62 4.578 -8.996 -5.764 1.00 0.00 O ATOM 936 CB ILE A 62 7.070 -10.072 -3.692 1.00 0.00 C ATOM 937 CG1 ILE A 62 8.262 -11.007 -3.478 1.00 0.00 C ATOM 938 CG2 ILE A 62 5.915 -10.461 -2.781 1.00 0.00 C ATOM 939 CD1 ILE A 62 7.879 -12.469 -3.410 1.00 0.00 C ATOM 0 H ILE A 62 8.299 -9.290 -6.131 1.00 0.00 H new ATOM 0 HA ILE A 62 6.038 -11.004 -5.342 1.00 0.00 H new ATOM 0 HB ILE A 62 7.379 -9.057 -3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.976 -10.864 -4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.770 -10.729 -2.554 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.246 -10.435 -1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.092 -9.759 -2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.579 -11.468 -3.030 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.774 -13.073 -3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.189 -12.626 -2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.398 -12.763 -4.343 1.00 0.00 H new ATOM 951 N PHE A 63 6.365 -7.697 -5.337 1.00 0.00 N ATOM 952 CA PHE A 63 5.652 -6.448 -5.582 1.00 0.00 C ATOM 953 C PHE A 63 6.278 -5.685 -6.746 1.00 0.00 C ATOM 954 O PHE A 63 7.501 -5.606 -6.865 1.00 0.00 O ATOM 955 CB PHE A 63 5.659 -5.577 -4.324 1.00 0.00 C ATOM 956 CG PHE A 63 4.823 -6.133 -3.206 1.00 0.00 C ATOM 957 CD1 PHE A 63 3.510 -6.515 -3.429 1.00 0.00 C ATOM 958 CD2 PHE A 63 5.351 -6.273 -1.933 1.00 0.00 C ATOM 959 CE1 PHE A 63 2.739 -7.026 -2.402 1.00 0.00 C ATOM 960 CE2 PHE A 63 4.585 -6.783 -0.902 1.00 0.00 C ATOM 961 CZ PHE A 63 3.277 -7.161 -1.137 1.00 0.00 C ATOM 0 H PHE A 63 7.345 -7.580 -5.078 1.00 0.00 H new ATOM 0 HA PHE A 63 4.622 -6.691 -5.841 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.686 -5.462 -3.977 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.295 -4.582 -4.579 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.084 -6.412 -4.416 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.373 -5.980 -1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.717 -7.320 -2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.008 -6.886 0.086 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.677 -7.561 -0.333 1.00 0.00 H new ATOM 971 N VAL A 64 5.430 -5.125 -7.602 1.00 0.00 N ATOM 972 CA VAL A 64 5.898 -4.367 -8.756 1.00 0.00 C ATOM 973 C VAL A 64 5.210 -3.009 -8.838 1.00 0.00 C ATOM 974 O VAL A 64 3.999 -2.901 -8.643 1.00 0.00 O ATOM 975 CB VAL A 64 5.651 -5.134 -10.069 1.00 0.00 C ATOM 976 CG1 VAL A 64 6.263 -6.525 -9.998 1.00 0.00 C ATOM 977 CG2 VAL A 64 4.161 -5.213 -10.367 1.00 0.00 C ATOM 0 H VAL A 64 4.415 -5.182 -7.518 1.00 0.00 H new ATOM 0 HA VAL A 64 6.970 -4.221 -8.624 1.00 0.00 H new ATOM 0 HB VAL A 64 6.133 -4.592 -10.883 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.079 -7.052 -10.934 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.337 -6.442 -9.834 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.812 -7.079 -9.175 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.005 -5.758 -11.298 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.654 -5.732 -9.553 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.755 -4.206 -10.464 1.00 0.00 H new ATOM 987 N PHE A 65 5.991 -1.973 -9.127 1.00 0.00 N ATOM 988 CA PHE A 65 5.457 -0.620 -9.234 1.00 0.00 C ATOM 989 C PHE A 65 6.066 0.112 -10.427 1.00 0.00 C ATOM 990 O PHE A 65 7.168 -0.208 -10.868 1.00 0.00 O ATOM 991 CB PHE A 65 5.732 0.162 -7.948 1.00 0.00 C ATOM 992 CG PHE A 65 7.068 0.848 -7.936 1.00 0.00 C ATOM 993 CD1 PHE A 65 7.297 1.962 -8.727 1.00 0.00 C ATOM 994 CD2 PHE A 65 8.096 0.377 -7.135 1.00 0.00 C ATOM 995 CE1 PHE A 65 8.525 2.596 -8.719 1.00 0.00 C ATOM 996 CE2 PHE A 65 9.326 1.007 -7.123 1.00 0.00 C ATOM 997 CZ PHE A 65 9.542 2.116 -7.916 1.00 0.00 C ATOM 0 H PHE A 65 6.995 -2.044 -9.291 1.00 0.00 H new ATOM 0 HA PHE A 65 4.380 -0.692 -9.385 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.949 0.908 -7.811 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.675 -0.519 -7.099 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.506 2.340 -9.358 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.934 -0.491 -6.514 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.689 3.465 -9.339 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.119 0.631 -6.493 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.504 2.607 -7.909 1.00 0.00 H new ATOM 1007 N ASN A 66 5.337 1.096 -10.944 1.00 0.00 N ATOM 1008 CA ASN A 66 5.803 1.873 -12.087 1.00 0.00 C ATOM 1009 C ASN A 66 5.518 3.358 -11.887 1.00 0.00 C ATOM 1010 O ASN A 66 4.442 3.739 -11.426 1.00 0.00 O ATOM 1011 CB ASN A 66 5.133 1.382 -13.372 1.00 0.00 C ATOM 1012 CG ASN A 66 5.878 1.823 -14.617 1.00 0.00 C ATOM 1013 OD1 ASN A 66 6.556 2.850 -14.617 1.00 0.00 O ATOM 1014 ND2 ASN A 66 5.755 1.045 -15.686 1.00 0.00 N ATOM 0 H ASN A 66 4.422 1.374 -10.590 1.00 0.00 H new ATOM 0 HA ASN A 66 6.881 1.736 -12.173 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.073 0.294 -13.354 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.110 1.757 -13.412 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.234 1.290 -16.553 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.182 0.202 -15.640 1.00 0.00 H new ATOM 1021 N LYS A 67 6.489 4.194 -12.239 1.00 0.00 N ATOM 1022 CA LYS A 67 6.344 5.638 -12.101 1.00 0.00 C ATOM 1023 C LYS A 67 5.512 6.213 -13.243 1.00 0.00 C ATOM 1024 O LYS A 67 5.085 7.366 -13.193 1.00 0.00 O ATOM 1025 CB LYS A 67 7.719 6.309 -12.070 1.00 0.00 C ATOM 1026 CG LYS A 67 8.471 6.215 -13.387 1.00 0.00 C ATOM 1027 CD LYS A 67 9.945 6.542 -13.211 1.00 0.00 C ATOM 1028 CE LYS A 67 10.572 7.006 -14.517 1.00 0.00 C ATOM 1029 NZ LYS A 67 10.927 5.860 -15.400 1.00 0.00 N ATOM 0 H LYS A 67 7.386 3.896 -12.622 1.00 0.00 H new ATOM 0 HA LYS A 67 5.828 5.838 -11.162 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.596 7.359 -11.806 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.320 5.851 -11.284 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.366 5.210 -13.796 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.029 6.901 -14.110 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.059 7.319 -12.455 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.473 5.661 -12.845 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.878 7.665 -15.039 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.467 7.590 -14.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.351 6.218 -16.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.608 5.244 -14.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.069 5.317 -15.626 1.00 0.00 H new ATOM 1043 N ASP A 68 5.284 5.401 -14.269 1.00 0.00 N ATOM 1044 CA ASP A 68 4.500 5.828 -15.423 1.00 0.00 C ATOM 1045 C ASP A 68 3.011 5.844 -15.092 1.00 0.00 C ATOM 1046 O ASP A 68 2.266 6.702 -15.569 1.00 0.00 O ATOM 1047 CB ASP A 68 4.760 4.904 -16.613 1.00 0.00 C ATOM 1048 CG ASP A 68 3.980 5.316 -17.847 1.00 0.00 C ATOM 1049 OD1 ASP A 68 2.800 4.924 -17.960 1.00 0.00 O ATOM 1050 OD2 ASP A 68 4.551 6.028 -18.699 1.00 0.00 O ATOM 0 H ASP A 68 5.631 4.443 -14.326 1.00 0.00 H new ATOM 0 HA ASP A 68 4.807 6.841 -15.685 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.825 4.904 -16.843 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.492 3.883 -16.342 1.00 0.00 H new ATOM 1055 N THR A 69 2.581 4.890 -14.272 1.00 0.00 N ATOM 1056 CA THR A 69 1.181 4.793 -13.878 1.00 0.00 C ATOM 1057 C THR A 69 0.994 5.170 -12.413 1.00 0.00 C ATOM 1058 O THR A 69 -0.068 5.647 -12.015 1.00 0.00 O ATOM 1059 CB THR A 69 0.631 3.372 -14.106 1.00 0.00 C ATOM 1060 OG1 THR A 69 1.273 2.451 -13.217 1.00 0.00 O ATOM 1061 CG2 THR A 69 0.848 2.932 -15.545 1.00 0.00 C ATOM 0 H THR A 69 3.183 4.173 -13.868 1.00 0.00 H new ATOM 0 HA THR A 69 0.627 5.494 -14.503 1.00 0.00 H new ATOM 0 HB THR A 69 -0.440 3.384 -13.905 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.917 1.550 -13.366 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.452 1.926 -15.682 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.334 3.619 -16.217 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.915 2.935 -15.770 1.00 0.00 H new ATOM 1069 N GLY A 70 2.034 4.953 -11.614 1.00 0.00 N ATOM 1070 CA GLY A 70 1.964 5.277 -10.201 1.00 0.00 C ATOM 1071 C GLY A 70 0.978 4.400 -9.454 1.00 0.00 C ATOM 1072 O GLY A 70 0.011 4.896 -8.876 1.00 0.00 O ATOM 0 H GLY A 70 2.924 4.559 -11.920 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.953 5.167 -9.757 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.677 6.322 -10.085 1.00 0.00 H new ATOM 1076 N GLU A 71 1.222 3.094 -9.467 1.00 0.00 N ATOM 1077 CA GLU A 71 0.346 2.147 -8.787 1.00 0.00 C ATOM 1078 C GLU A 71 1.138 0.954 -8.260 1.00 0.00 C ATOM 1079 O GLU A 71 2.270 0.710 -8.682 1.00 0.00 O ATOM 1080 CB GLU A 71 -0.753 1.664 -9.735 1.00 0.00 C ATOM 1081 CG GLU A 71 -0.357 0.450 -10.559 1.00 0.00 C ATOM 1082 CD GLU A 71 -0.360 -0.831 -9.749 1.00 0.00 C ATOM 1083 OE1 GLU A 71 -1.458 -1.289 -9.369 1.00 0.00 O ATOM 1084 OE2 GLU A 71 0.734 -1.376 -9.494 1.00 0.00 O ATOM 0 H GLU A 71 2.018 2.667 -9.940 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.112 2.659 -7.941 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.643 1.423 -9.153 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.023 2.477 -10.409 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.044 0.346 -11.399 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.637 0.608 -10.978 1.00 0.00 H new ATOM 1091 N LEU A 72 0.537 0.214 -7.335 1.00 0.00 N ATOM 1092 CA LEU A 72 1.186 -0.954 -6.748 1.00 0.00 C ATOM 1093 C LEU A 72 0.303 -2.190 -6.880 1.00 0.00 C ATOM 1094 O LEU A 72 -0.806 -2.233 -6.350 1.00 0.00 O ATOM 1095 CB LEU A 72 1.507 -0.697 -5.275 1.00 0.00 C ATOM 1096 CG LEU A 72 2.106 -1.874 -4.504 1.00 0.00 C ATOM 1097 CD1 LEU A 72 3.622 -1.873 -4.623 1.00 0.00 C ATOM 1098 CD2 LEU A 72 1.684 -1.824 -3.043 1.00 0.00 C ATOM 0 H LEU A 72 -0.399 0.402 -6.975 1.00 0.00 H new ATOM 0 HA LEU A 72 2.115 -1.134 -7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.201 0.141 -5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.590 -0.388 -4.773 1.00 0.00 H new ATOM 0 HG LEU A 72 1.728 -2.799 -4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.031 -2.717 -4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.905 -1.957 -5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.018 -0.944 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.119 -2.669 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.033 -0.893 -2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.597 -1.874 -2.976 1.00 0.00 H new ATOM 1110 N ASN A 73 0.805 -3.196 -7.590 1.00 0.00 N ATOM 1111 CA ASN A 73 0.062 -4.435 -7.791 1.00 0.00 C ATOM 1112 C ASN A 73 0.913 -5.646 -7.417 1.00 0.00 C ATOM 1113 O ASN A 73 2.099 -5.707 -7.739 1.00 0.00 O ATOM 1114 CB ASN A 73 -0.397 -4.549 -9.246 1.00 0.00 C ATOM 1115 CG ASN A 73 -1.071 -5.877 -9.537 1.00 0.00 C ATOM 1116 OD1 ASN A 73 -2.284 -5.940 -9.733 1.00 0.00 O ATOM 1117 ND2 ASN A 73 -0.283 -6.946 -9.566 1.00 0.00 N ATOM 0 H ASN A 73 1.722 -3.177 -8.035 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.814 -4.414 -7.142 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.088 -3.737 -9.471 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.462 -4.428 -9.906 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.679 -7.866 -9.757 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.718 -6.846 -9.398 1.00 0.00 H new ATOM 1124 N VAL A 74 0.297 -6.608 -6.738 1.00 0.00 N ATOM 1125 CA VAL A 74 0.996 -7.818 -6.322 1.00 0.00 C ATOM 1126 C VAL A 74 0.980 -8.869 -7.426 1.00 0.00 C ATOM 1127 O VAL A 74 -0.056 -9.124 -8.041 1.00 0.00 O ATOM 1128 CB VAL A 74 0.372 -8.417 -5.048 1.00 0.00 C ATOM 1129 CG1 VAL A 74 -0.973 -9.056 -5.362 1.00 0.00 C ATOM 1130 CG2 VAL A 74 1.317 -9.429 -4.417 1.00 0.00 C ATOM 0 H VAL A 74 -0.685 -6.573 -6.464 1.00 0.00 H new ATOM 0 HA VAL A 74 2.027 -7.532 -6.112 1.00 0.00 H new ATOM 0 HB VAL A 74 0.207 -7.612 -4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.399 -9.474 -4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.649 -8.302 -5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.836 -9.850 -6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.860 -9.842 -3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.515 -10.233 -5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.254 -8.938 -4.155 1.00 0.00 H new ATOM 1140 N THR A 75 2.136 -9.477 -7.674 1.00 0.00 N ATOM 1141 CA THR A 75 2.255 -10.501 -8.705 1.00 0.00 C ATOM 1142 C THR A 75 2.687 -11.835 -8.107 1.00 0.00 C ATOM 1143 O THR A 75 3.330 -12.646 -8.774 1.00 0.00 O ATOM 1144 CB THR A 75 3.265 -10.087 -9.792 1.00 0.00 C ATOM 1145 OG1 THR A 75 4.591 -10.075 -9.251 1.00 0.00 O ATOM 1146 CG2 THR A 75 2.927 -8.713 -10.350 1.00 0.00 C ATOM 0 H THR A 75 3.003 -9.278 -7.175 1.00 0.00 H new ATOM 0 HA THR A 75 1.270 -10.611 -9.158 1.00 0.00 H new ATOM 0 HB THR A 75 3.211 -10.814 -10.602 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.227 -9.812 -9.949 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.654 -8.442 -11.116 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.929 -8.734 -10.788 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.955 -7.977 -9.547 1.00 0.00 H new ATOM 1154 N SER A 76 2.330 -12.057 -6.846 1.00 0.00 N ATOM 1155 CA SER A 76 2.683 -13.293 -6.158 1.00 0.00 C ATOM 1156 C SER A 76 1.759 -13.535 -4.968 1.00 0.00 C ATOM 1157 O SER A 76 1.298 -12.592 -4.324 1.00 0.00 O ATOM 1158 CB SER A 76 4.138 -13.240 -5.686 1.00 0.00 C ATOM 1159 OG SER A 76 5.030 -13.490 -6.758 1.00 0.00 O ATOM 0 H SER A 76 1.797 -11.397 -6.280 1.00 0.00 H new ATOM 0 HA SER A 76 2.566 -14.118 -6.861 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.348 -12.262 -5.254 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.295 -13.977 -4.898 1.00 0.00 H new ATOM 0 HG SER A 76 5.748 -12.824 -6.748 1.00 0.00 H new ATOM 1165 N ILE A 77 1.494 -14.805 -4.682 1.00 0.00 N ATOM 1166 CA ILE A 77 0.627 -15.173 -3.570 1.00 0.00 C ATOM 1167 C ILE A 77 1.357 -15.044 -2.238 1.00 0.00 C ATOM 1168 O ILE A 77 2.370 -15.706 -2.006 1.00 0.00 O ATOM 1169 CB ILE A 77 0.101 -16.612 -3.717 1.00 0.00 C ATOM 1170 CG1 ILE A 77 -0.644 -16.773 -5.044 1.00 0.00 C ATOM 1171 CG2 ILE A 77 -0.806 -16.968 -2.549 1.00 0.00 C ATOM 1172 CD1 ILE A 77 -0.790 -18.213 -5.485 1.00 0.00 C ATOM 0 H ILE A 77 1.868 -15.597 -5.205 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.217 -14.484 -3.588 1.00 0.00 H new ATOM 0 HB ILE A 77 0.951 -17.295 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.635 -16.328 -4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.115 -16.216 -5.818 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.169 -17.989 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.247 -16.889 -1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.653 -16.282 -2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.328 -18.251 -6.432 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.198 -18.657 -5.610 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.345 -18.770 -4.730 1.00 0.00 H new ATOM 1184 N LEU A 78 0.837 -14.190 -1.364 1.00 0.00 N ATOM 1185 CA LEU A 78 1.438 -13.975 -0.052 1.00 0.00 C ATOM 1186 C LEU A 78 1.477 -15.273 0.748 1.00 0.00 C ATOM 1187 O LEU A 78 0.815 -16.250 0.398 1.00 0.00 O ATOM 1188 CB LEU A 78 0.659 -12.910 0.720 1.00 0.00 C ATOM 1189 CG LEU A 78 0.347 -11.622 -0.042 1.00 0.00 C ATOM 1190 CD1 LEU A 78 -0.286 -10.593 0.882 1.00 0.00 C ATOM 1191 CD2 LEU A 78 1.610 -11.061 -0.681 1.00 0.00 C ATOM 0 H LEU A 78 -0.000 -13.635 -1.540 1.00 0.00 H new ATOM 0 HA LEU A 78 2.461 -13.630 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.282 -13.348 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.226 -12.651 1.614 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.365 -11.856 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.501 -9.683 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.213 -10.994 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.401 -10.363 1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.369 -10.144 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.345 -10.844 0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.022 -11.792 -1.376 1.00 0.00 H new ATOM 1203 N ASP A 79 2.254 -15.275 1.825 1.00 0.00 N ATOM 1204 CA ASP A 79 2.376 -16.452 2.678 1.00 0.00 C ATOM 1205 C ASP A 79 2.972 -16.082 4.033 1.00 0.00 C ATOM 1206 O ASP A 79 4.015 -15.432 4.107 1.00 0.00 O ATOM 1207 CB ASP A 79 3.244 -17.513 1.998 1.00 0.00 C ATOM 1208 CG ASP A 79 2.920 -18.916 2.473 1.00 0.00 C ATOM 1209 OD1 ASP A 79 3.107 -19.194 3.676 1.00 0.00 O ATOM 1210 OD2 ASP A 79 2.480 -19.736 1.641 1.00 0.00 O ATOM 0 H ASP A 79 2.809 -14.475 2.129 1.00 0.00 H new ATOM 0 HA ASP A 79 1.378 -16.859 2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.103 -17.456 0.919 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.295 -17.299 2.194 1.00 0.00 H new ATOM 1215 N ARG A 80 2.302 -16.500 5.102 1.00 0.00 N ATOM 1216 CA ARG A 80 2.763 -16.210 6.454 1.00 0.00 C ATOM 1217 C ARG A 80 3.990 -17.049 6.801 1.00 0.00 C ATOM 1218 O ARG A 80 4.810 -16.653 7.629 1.00 0.00 O ATOM 1219 CB ARG A 80 1.647 -16.477 7.465 1.00 0.00 C ATOM 1220 CG ARG A 80 1.817 -15.723 8.774 1.00 0.00 C ATOM 1221 CD ARG A 80 0.924 -16.293 9.865 1.00 0.00 C ATOM 1222 NE ARG A 80 1.483 -16.077 11.197 1.00 0.00 N ATOM 1223 CZ ARG A 80 1.083 -16.739 12.278 1.00 0.00 C ATOM 1224 NH1 ARG A 80 0.128 -17.653 12.183 1.00 0.00 N ATOM 1225 NH2 ARG A 80 1.640 -16.486 13.455 1.00 0.00 N ATOM 0 H ARG A 80 1.438 -17.041 5.058 1.00 0.00 H new ATOM 0 HA ARG A 80 3.039 -15.157 6.499 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.691 -16.202 7.019 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.606 -17.546 7.674 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.859 -15.773 9.092 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.581 -14.670 8.622 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.061 -15.830 9.806 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.785 -17.361 9.699 1.00 0.00 H new ATOM 0 HE ARG A 80 2.220 -15.380 11.303 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.302 -17.850 11.279 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.177 -18.160 13.014 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.375 -15.783 13.531 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.333 -16.994 14.284 1.00 0.00 H new ATOM 1239 N GLU A 81 4.107 -18.209 6.163 1.00 0.00 N ATOM 1240 CA GLU A 81 5.233 -19.104 6.406 1.00 0.00 C ATOM 1241 C GLU A 81 6.538 -18.478 5.924 1.00 0.00 C ATOM 1242 O GLU A 81 7.488 -18.331 6.692 1.00 0.00 O ATOM 1243 CB GLU A 81 5.008 -20.445 5.705 1.00 0.00 C ATOM 1244 CG GLU A 81 3.829 -21.229 6.256 1.00 0.00 C ATOM 1245 CD GLU A 81 3.534 -22.481 5.452 1.00 0.00 C ATOM 1246 OE1 GLU A 81 3.495 -22.392 4.207 1.00 0.00 O ATOM 1247 OE2 GLU A 81 3.342 -23.550 6.069 1.00 0.00 O ATOM 0 H GLU A 81 3.437 -18.551 5.474 1.00 0.00 H new ATOM 0 HA GLU A 81 5.306 -19.272 7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.850 -20.267 4.641 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.910 -21.049 5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.033 -21.506 7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.945 -20.591 6.265 1.00 0.00 H new ATOM 1254 N GLU A 82 6.577 -18.113 4.646 1.00 0.00 N ATOM 1255 CA GLU A 82 7.766 -17.505 4.062 1.00 0.00 C ATOM 1256 C GLU A 82 7.914 -16.055 4.513 1.00 0.00 C ATOM 1257 O GLU A 82 8.932 -15.672 5.089 1.00 0.00 O ATOM 1258 CB GLU A 82 7.702 -17.572 2.534 1.00 0.00 C ATOM 1259 CG GLU A 82 9.052 -17.395 1.860 1.00 0.00 C ATOM 1260 CD GLU A 82 9.782 -18.710 1.663 1.00 0.00 C ATOM 1261 OE1 GLU A 82 9.148 -19.676 1.189 1.00 0.00 O ATOM 1262 OE2 GLU A 82 10.988 -18.772 1.983 1.00 0.00 O ATOM 0 H GLU A 82 5.799 -18.228 3.996 1.00 0.00 H new ATOM 0 HA GLU A 82 8.635 -18.065 4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.281 -18.533 2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.021 -16.801 2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.911 -16.914 0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.669 -16.727 2.461 1.00 0.00 H new ATOM 1269 N THR A 83 6.889 -15.251 4.246 1.00 0.00 N ATOM 1270 CA THR A 83 6.904 -13.843 4.622 1.00 0.00 C ATOM 1271 C THR A 83 5.710 -13.497 5.504 1.00 0.00 C ATOM 1272 O THR A 83 4.618 -13.194 5.023 1.00 0.00 O ATOM 1273 CB THR A 83 6.892 -12.930 3.381 1.00 0.00 C ATOM 1274 OG1 THR A 83 5.759 -13.234 2.560 1.00 0.00 O ATOM 1275 CG2 THR A 83 8.170 -13.099 2.573 1.00 0.00 C ATOM 0 H THR A 83 6.038 -15.551 3.771 1.00 0.00 H new ATOM 0 HA THR A 83 7.825 -13.675 5.179 1.00 0.00 H new ATOM 0 HB THR A 83 6.828 -11.896 3.719 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.374 -12.402 2.213 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.139 -12.445 1.702 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.029 -12.839 3.192 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.259 -14.135 2.246 1.00 0.00 H new ATOM 1283 N PRO A 84 5.919 -13.542 6.829 1.00 0.00 N ATOM 1284 CA PRO A 84 4.871 -13.235 7.807 1.00 0.00 C ATOM 1285 C PRO A 84 4.503 -11.755 7.816 1.00 0.00 C ATOM 1286 O PRO A 84 3.431 -11.375 8.288 1.00 0.00 O ATOM 1287 CB PRO A 84 5.503 -13.637 9.141 1.00 0.00 C ATOM 1288 CG PRO A 84 6.971 -13.528 8.914 1.00 0.00 C ATOM 1289 CD PRO A 84 7.195 -13.895 7.473 1.00 0.00 C ATOM 0 HA PRO A 84 3.941 -13.758 7.586 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.177 -12.980 9.947 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.220 -14.651 9.423 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.324 -12.517 9.119 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.519 -14.197 9.577 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.029 -13.341 7.042 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.423 -14.955 7.359 1.00 0.00 H new ATOM 1297 N PHE A 85 5.397 -10.924 7.291 1.00 0.00 N ATOM 1298 CA PHE A 85 5.166 -9.485 7.239 1.00 0.00 C ATOM 1299 C PHE A 85 5.885 -8.861 6.047 1.00 0.00 C ATOM 1300 O PHE A 85 6.857 -9.416 5.534 1.00 0.00 O ATOM 1301 CB PHE A 85 5.637 -8.825 8.536 1.00 0.00 C ATOM 1302 CG PHE A 85 7.117 -8.940 8.764 1.00 0.00 C ATOM 1303 CD1 PHE A 85 8.000 -8.090 8.118 1.00 0.00 C ATOM 1304 CD2 PHE A 85 7.626 -9.899 9.625 1.00 0.00 C ATOM 1305 CE1 PHE A 85 9.362 -8.193 8.326 1.00 0.00 C ATOM 1306 CE2 PHE A 85 8.988 -10.007 9.838 1.00 0.00 C ATOM 1307 CZ PHE A 85 9.857 -9.154 9.186 1.00 0.00 C ATOM 0 H PHE A 85 6.289 -11.222 6.895 1.00 0.00 H new ATOM 0 HA PHE A 85 4.095 -9.318 7.122 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.361 -7.771 8.519 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.112 -9.278 9.377 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.619 -7.338 7.443 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.951 -10.570 10.136 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.039 -7.523 7.817 1.00 0.00 H new ATOM 0 HE2 PHE A 85 9.372 -10.757 10.513 1.00 0.00 H new ATOM 0 HZ PHE A 85 10.921 -9.238 9.348 1.00 0.00 H new ATOM 1317 N PHE A 86 5.400 -7.703 5.611 1.00 0.00 N ATOM 1318 CA PHE A 86 5.995 -7.004 4.478 1.00 0.00 C ATOM 1319 C PHE A 86 6.187 -5.523 4.793 1.00 0.00 C ATOM 1320 O PHE A 86 5.218 -4.778 4.946 1.00 0.00 O ATOM 1321 CB PHE A 86 5.116 -7.162 3.235 1.00 0.00 C ATOM 1322 CG PHE A 86 5.359 -8.443 2.489 1.00 0.00 C ATOM 1323 CD1 PHE A 86 6.595 -8.705 1.920 1.00 0.00 C ATOM 1324 CD2 PHE A 86 4.351 -9.384 2.355 1.00 0.00 C ATOM 1325 CE1 PHE A 86 6.822 -9.883 1.233 1.00 0.00 C ATOM 1326 CE2 PHE A 86 4.572 -10.563 1.669 1.00 0.00 C ATOM 1327 CZ PHE A 86 5.809 -10.812 1.107 1.00 0.00 C ATOM 0 H PHE A 86 4.597 -7.229 6.025 1.00 0.00 H new ATOM 0 HA PHE A 86 6.972 -7.446 4.283 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.068 -7.117 3.532 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.294 -6.321 2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 86 7.390 -7.980 2.014 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.382 -9.194 2.792 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.790 -10.076 0.796 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.778 -11.289 1.572 1.00 0.00 H new ATOM 0 HZ PHE A 86 5.983 -11.732 0.570 1.00 0.00 H new ATOM 1337 N LEU A 87 7.443 -5.103 4.889 1.00 0.00 N ATOM 1338 CA LEU A 87 7.765 -3.712 5.187 1.00 0.00 C ATOM 1339 C LEU A 87 8.159 -2.961 3.920 1.00 0.00 C ATOM 1340 O LEU A 87 9.077 -3.366 3.205 1.00 0.00 O ATOM 1341 CB LEU A 87 8.898 -3.637 6.212 1.00 0.00 C ATOM 1342 CG LEU A 87 8.474 -3.591 7.680 1.00 0.00 C ATOM 1343 CD1 LEU A 87 7.746 -2.291 7.985 1.00 0.00 C ATOM 1344 CD2 LEU A 87 7.598 -4.788 8.020 1.00 0.00 C ATOM 0 H LEU A 87 8.256 -5.706 4.765 1.00 0.00 H new ATOM 0 HA LEU A 87 6.875 -3.241 5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.548 -4.501 6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.495 -2.750 5.999 1.00 0.00 H new ATOM 0 HG LEU A 87 9.370 -3.635 8.299 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.452 -2.276 9.034 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.406 -1.448 7.781 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.857 -2.216 7.358 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.306 -4.739 9.069 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.706 -4.776 7.394 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.154 -5.708 7.841 1.00 0.00 H new ATOM 1356 N LEU A 88 7.462 -1.864 3.647 1.00 0.00 N ATOM 1357 CA LEU A 88 7.740 -1.053 2.466 1.00 0.00 C ATOM 1358 C LEU A 88 7.690 0.434 2.802 1.00 0.00 C ATOM 1359 O LEU A 88 7.091 0.837 3.800 1.00 0.00 O ATOM 1360 CB LEU A 88 6.736 -1.371 1.357 1.00 0.00 C ATOM 1361 CG LEU A 88 6.522 -2.854 1.050 1.00 0.00 C ATOM 1362 CD1 LEU A 88 5.329 -3.041 0.126 1.00 0.00 C ATOM 1363 CD2 LEU A 88 7.776 -3.457 0.433 1.00 0.00 C ATOM 0 H LEU A 88 6.699 -1.515 4.228 1.00 0.00 H new ATOM 0 HA LEU A 88 8.745 -1.294 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.775 -0.934 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.065 -0.875 0.444 1.00 0.00 H new ATOM 0 HG LEU A 88 6.316 -3.373 1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.192 -4.102 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.433 -2.646 0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.506 -2.509 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.606 -4.513 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.013 -2.934 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.609 -3.356 1.129 1.00 0.00 H new ATOM 1375 N THR A 89 8.322 1.247 1.961 1.00 0.00 N ATOM 1376 CA THR A 89 8.349 2.689 2.168 1.00 0.00 C ATOM 1377 C THR A 89 8.028 3.435 0.877 1.00 0.00 C ATOM 1378 O THR A 89 8.472 3.047 -0.202 1.00 0.00 O ATOM 1379 CB THR A 89 9.720 3.156 2.691 1.00 0.00 C ATOM 1380 OG1 THR A 89 9.981 2.571 3.971 1.00 0.00 O ATOM 1381 CG2 THR A 89 9.769 4.673 2.801 1.00 0.00 C ATOM 0 H THR A 89 8.822 0.931 1.130 1.00 0.00 H new ATOM 0 HA THR A 89 7.588 2.916 2.915 1.00 0.00 H new ATOM 0 HB THR A 89 10.483 2.834 1.983 1.00 0.00 H new ATOM 0 HG1 THR A 89 10.855 2.872 4.296 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.747 4.979 3.172 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.599 5.115 1.819 1.00 0.00 H new ATOM 0 HG23 THR A 89 8.996 5.013 3.490 1.00 0.00 H new ATOM 1389 N GLY A 90 7.256 4.511 0.997 1.00 0.00 N ATOM 1390 CA GLY A 90 6.890 5.295 -0.168 1.00 0.00 C ATOM 1391 C GLY A 90 7.563 6.653 -0.187 1.00 0.00 C ATOM 1392 O GLY A 90 7.532 7.383 0.804 1.00 0.00 O ATOM 0 H GLY A 90 6.878 4.854 1.880 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.160 4.747 -1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.808 5.429 -0.187 1.00 0.00 H new ATOM 1396 N TYR A 91 8.173 6.993 -1.317 1.00 0.00 N ATOM 1397 CA TYR A 91 8.860 8.271 -1.460 1.00 0.00 C ATOM 1398 C TYR A 91 8.214 9.118 -2.552 1.00 0.00 C ATOM 1399 O TYR A 91 7.867 8.615 -3.620 1.00 0.00 O ATOM 1400 CB TYR A 91 10.338 8.046 -1.782 1.00 0.00 C ATOM 1401 CG TYR A 91 11.083 7.286 -0.708 1.00 0.00 C ATOM 1402 CD1 TYR A 91 11.064 5.898 -0.670 1.00 0.00 C ATOM 1403 CD2 TYR A 91 11.807 7.958 0.270 1.00 0.00 C ATOM 1404 CE1 TYR A 91 11.742 5.200 0.310 1.00 0.00 C ATOM 1405 CE2 TYR A 91 12.490 7.268 1.253 1.00 0.00 C ATOM 1406 CZ TYR A 91 12.454 5.889 1.269 1.00 0.00 C ATOM 1407 OH TYR A 91 13.133 5.198 2.246 1.00 0.00 O ATOM 0 H TYR A 91 8.206 6.401 -2.147 1.00 0.00 H new ATOM 0 HA TYR A 91 8.778 8.806 -0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 91 10.417 7.501 -2.723 1.00 0.00 H new ATOM 0 HB3 TYR A 91 10.820 9.012 -1.932 1.00 0.00 H new ATOM 0 HD1 TYR A 91 10.509 5.355 -1.420 1.00 0.00 H new ATOM 0 HD2 TYR A 91 11.836 9.038 0.261 1.00 0.00 H new ATOM 0 HE1 TYR A 91 11.715 4.120 0.325 1.00 0.00 H new ATOM 0 HE2 TYR A 91 13.049 7.805 2.005 1.00 0.00 H new ATOM 0 HH TYR A 91 13.584 5.832 2.842 1.00 0.00 H new ATOM 1417 N ALA A 92 8.055 10.408 -2.274 1.00 0.00 N ATOM 1418 CA ALA A 92 7.453 11.327 -3.232 1.00 0.00 C ATOM 1419 C ALA A 92 8.472 12.345 -3.733 1.00 0.00 C ATOM 1420 O ALA A 92 8.505 13.485 -3.269 1.00 0.00 O ATOM 1421 CB ALA A 92 6.260 12.036 -2.607 1.00 0.00 C ATOM 0 H ALA A 92 8.335 10.840 -1.393 1.00 0.00 H new ATOM 0 HA ALA A 92 7.109 10.745 -4.087 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.821 12.719 -3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.516 11.299 -2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.588 12.599 -1.733 1.00 0.00 H new ATOM 1427 N LEU A 93 9.303 11.925 -4.680 1.00 0.00 N ATOM 1428 CA LEU A 93 10.325 12.801 -5.243 1.00 0.00 C ATOM 1429 C LEU A 93 9.747 13.666 -6.359 1.00 0.00 C ATOM 1430 O LEU A 93 8.899 13.217 -7.129 1.00 0.00 O ATOM 1431 CB LEU A 93 11.495 11.973 -5.779 1.00 0.00 C ATOM 1432 CG LEU A 93 11.933 10.791 -4.913 1.00 0.00 C ATOM 1433 CD1 LEU A 93 12.552 9.700 -5.773 1.00 0.00 C ATOM 1434 CD2 LEU A 93 12.912 11.248 -3.842 1.00 0.00 C ATOM 0 H LEU A 93 9.290 10.984 -5.074 1.00 0.00 H new ATOM 0 HA LEU A 93 10.684 13.456 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.225 11.595 -6.765 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.350 12.635 -5.915 1.00 0.00 H new ATOM 0 HG LEU A 93 11.052 10.381 -4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.858 8.867 -5.140 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.820 9.352 -6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.423 10.098 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.213 10.394 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.791 11.684 -4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.434 11.994 -3.207 1.00 0.00 H new ATOM 1446 N ASP A 94 10.214 14.907 -6.440 1.00 0.00 N ATOM 1447 CA ASP A 94 9.746 15.835 -7.463 1.00 0.00 C ATOM 1448 C ASP A 94 10.491 15.616 -8.776 1.00 0.00 C ATOM 1449 O ASP A 94 11.451 14.849 -8.836 1.00 0.00 O ATOM 1450 CB ASP A 94 9.928 17.279 -6.994 1.00 0.00 C ATOM 1451 CG ASP A 94 9.069 18.254 -7.775 1.00 0.00 C ATOM 1452 OD1 ASP A 94 7.870 18.383 -7.448 1.00 0.00 O ATOM 1453 OD2 ASP A 94 9.595 18.889 -8.712 1.00 0.00 O ATOM 0 H ASP A 94 10.916 15.294 -5.809 1.00 0.00 H new ATOM 0 HA ASP A 94 8.686 15.647 -7.631 1.00 0.00 H new ATOM 0 HB2 ASP A 94 9.680 17.348 -5.935 1.00 0.00 H new ATOM 0 HB3 ASP A 94 10.976 17.561 -7.095 1.00 0.00 H new ATOM 1458 N ALA A 95 10.039 16.294 -9.827 1.00 0.00 N ATOM 1459 CA ALA A 95 10.663 16.174 -11.139 1.00 0.00 C ATOM 1460 C ALA A 95 12.184 16.184 -11.026 1.00 0.00 C ATOM 1461 O ALA A 95 12.877 15.527 -11.804 1.00 0.00 O ATOM 1462 CB ALA A 95 10.192 17.297 -12.051 1.00 0.00 C ATOM 0 H ALA A 95 9.243 16.932 -9.795 1.00 0.00 H new ATOM 0 HA ALA A 95 10.363 15.219 -11.571 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.666 17.196 -13.027 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.109 17.243 -12.165 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.463 18.258 -11.614 1.00 0.00 H new ATOM 1468 N ARG A 96 12.696 16.932 -10.055 1.00 0.00 N ATOM 1469 CA ARG A 96 14.136 17.028 -9.843 1.00 0.00 C ATOM 1470 C ARG A 96 14.677 15.754 -9.202 1.00 0.00 C ATOM 1471 O ARG A 96 15.760 15.284 -9.548 1.00 0.00 O ATOM 1472 CB ARG A 96 14.463 18.235 -8.961 1.00 0.00 C ATOM 1473 CG ARG A 96 14.670 19.522 -9.742 1.00 0.00 C ATOM 1474 CD ARG A 96 14.477 20.746 -8.861 1.00 0.00 C ATOM 1475 NE ARG A 96 15.720 21.152 -8.209 1.00 0.00 N ATOM 1476 CZ ARG A 96 16.717 21.760 -8.843 1.00 0.00 C ATOM 1477 NH1 ARG A 96 16.618 22.031 -10.137 1.00 0.00 N ATOM 1478 NH2 ARG A 96 17.816 22.098 -8.181 1.00 0.00 N ATOM 0 H ARG A 96 12.136 17.481 -9.402 1.00 0.00 H new ATOM 0 HA ARG A 96 14.614 17.156 -10.814 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.654 18.381 -8.245 1.00 0.00 H new ATOM 0 HB3 ARG A 96 15.363 18.020 -8.386 1.00 0.00 H new ATOM 0 HG2 ARG A 96 15.674 19.533 -10.167 1.00 0.00 H new ATOM 0 HG3 ARG A 96 13.970 19.559 -10.576 1.00 0.00 H new ATOM 0 HD2 ARG A 96 14.098 21.571 -9.464 1.00 0.00 H new ATOM 0 HD3 ARG A 96 13.723 20.532 -8.103 1.00 0.00 H new ATOM 0 HE ARG A 96 15.828 20.958 -7.213 1.00 0.00 H new ATOM 0 HH11 ARG A 96 15.775 21.773 -10.649 1.00 0.00 H new ATOM 0 HH12 ARG A 96 17.385 22.498 -10.620 1.00 0.00 H new ATOM 0 HH21 ARG A 96 17.896 21.891 -7.185 1.00 0.00 H new ATOM 0 HH22 ARG A 96 18.581 22.565 -8.668 1.00 0.00 H new ATOM 1492 N GLY A 97 13.915 15.200 -8.264 1.00 0.00 N ATOM 1493 CA GLY A 97 14.335 13.986 -7.588 1.00 0.00 C ATOM 1494 C GLY A 97 14.762 14.237 -6.156 1.00 0.00 C ATOM 1495 O GLY A 97 15.675 13.586 -5.650 1.00 0.00 O ATOM 0 H GLY A 97 13.014 15.570 -7.960 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.516 13.266 -7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.162 13.536 -8.137 1.00 0.00 H new ATOM 1499 N ASN A 98 14.100 15.186 -5.501 1.00 0.00 N ATOM 1500 CA ASN A 98 14.419 15.523 -4.118 1.00 0.00 C ATOM 1501 C ASN A 98 13.260 15.169 -3.191 1.00 0.00 C ATOM 1502 O ASN A 98 12.096 15.225 -3.586 1.00 0.00 O ATOM 1503 CB ASN A 98 14.745 17.013 -3.997 1.00 0.00 C ATOM 1504 CG ASN A 98 15.851 17.441 -4.943 1.00 0.00 C ATOM 1505 OD1 ASN A 98 16.976 16.948 -4.864 1.00 0.00 O ATOM 1506 ND2 ASN A 98 15.535 18.363 -5.844 1.00 0.00 N ATOM 0 H ASN A 98 13.341 15.734 -5.905 1.00 0.00 H new ATOM 0 HA ASN A 98 15.291 14.941 -3.820 1.00 0.00 H new ATOM 0 HB2 ASN A 98 13.848 17.596 -4.203 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.041 17.235 -2.972 1.00 0.00 H new ATOM 0 HD21 ASN A 98 16.238 18.690 -6.507 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.589 18.744 -5.873 1.00 0.00 H new ATOM 1513 N ASN A 99 13.588 14.804 -1.956 1.00 0.00 N ATOM 1514 CA ASN A 99 12.575 14.441 -0.972 1.00 0.00 C ATOM 1515 C ASN A 99 11.901 15.684 -0.399 1.00 0.00 C ATOM 1516 O ASN A 99 12.296 16.189 0.652 1.00 0.00 O ATOM 1517 CB ASN A 99 13.202 13.621 0.158 1.00 0.00 C ATOM 1518 CG ASN A 99 14.562 14.150 0.570 1.00 0.00 C ATOM 1519 OD1 ASN A 99 14.850 15.337 0.419 1.00 0.00 O ATOM 1520 ND2 ASN A 99 15.406 13.268 1.093 1.00 0.00 N ATOM 0 H ASN A 99 14.547 14.752 -1.613 1.00 0.00 H new ATOM 0 HA ASN A 99 11.818 13.838 -1.474 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.536 13.628 1.021 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.300 12.583 -0.161 1.00 0.00 H new ATOM 0 HD21 ASN A 99 16.336 13.565 1.388 1.00 0.00 H new ATOM 0 HD22 ASN A 99 15.124 12.293 1.199 1.00 0.00 H new ATOM 1527 N VAL A 100 10.882 16.174 -1.098 1.00 0.00 N ATOM 1528 CA VAL A 100 10.152 17.357 -0.659 1.00 0.00 C ATOM 1529 C VAL A 100 9.222 17.029 0.504 1.00 0.00 C ATOM 1530 O VAL A 100 9.043 17.837 1.414 1.00 0.00 O ATOM 1531 CB VAL A 100 9.325 17.965 -1.808 1.00 0.00 C ATOM 1532 CG1 VAL A 100 10.240 18.560 -2.867 1.00 0.00 C ATOM 1533 CG2 VAL A 100 8.405 16.916 -2.414 1.00 0.00 C ATOM 0 H VAL A 100 10.543 15.770 -1.971 1.00 0.00 H new ATOM 0 HA VAL A 100 10.895 18.084 -0.332 1.00 0.00 H new ATOM 0 HB VAL A 100 8.707 18.767 -1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 100 9.638 18.985 -3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 100 10.853 19.343 -2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 100 10.885 17.780 -3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.828 17.362 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 100 9.001 16.091 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.726 16.542 -1.648 1.00 0.00 H new ATOM 1543 N GLU A 101 8.633 15.838 0.466 1.00 0.00 N ATOM 1544 CA GLU A 101 7.721 15.403 1.517 1.00 0.00 C ATOM 1545 C GLU A 101 8.115 14.027 2.045 1.00 0.00 C ATOM 1546 O GLU A 101 8.084 13.036 1.314 1.00 0.00 O ATOM 1547 CB GLU A 101 6.284 15.369 0.994 1.00 0.00 C ATOM 1548 CG GLU A 101 5.728 16.741 0.651 1.00 0.00 C ATOM 1549 CD GLU A 101 5.615 17.644 1.864 1.00 0.00 C ATOM 1550 OE1 GLU A 101 4.672 17.453 2.660 1.00 0.00 O ATOM 1551 OE2 GLU A 101 6.470 18.542 2.016 1.00 0.00 O ATOM 0 H GLU A 101 8.771 15.157 -0.281 1.00 0.00 H new ATOM 0 HA GLU A 101 7.785 16.119 2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 101 6.244 14.738 0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.644 14.904 1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.371 17.214 -0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.745 16.627 0.195 1.00 0.00 H new ATOM 1558 N LYS A 102 8.486 13.972 3.319 1.00 0.00 N ATOM 1559 CA LYS A 102 8.886 12.719 3.948 1.00 0.00 C ATOM 1560 C LYS A 102 8.060 11.554 3.411 1.00 0.00 C ATOM 1561 O LYS A 102 6.883 11.696 3.079 1.00 0.00 O ATOM 1562 CB LYS A 102 8.727 12.812 5.467 1.00 0.00 C ATOM 1563 CG LYS A 102 7.340 12.435 5.958 1.00 0.00 C ATOM 1564 CD LYS A 102 6.303 13.466 5.545 1.00 0.00 C ATOM 1565 CE LYS A 102 6.368 14.705 6.424 1.00 0.00 C ATOM 1566 NZ LYS A 102 5.575 14.541 7.673 1.00 0.00 N ATOM 0 H LYS A 102 8.518 14.782 3.938 1.00 0.00 H new ATOM 0 HA LYS A 102 9.934 12.540 3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.461 12.160 5.941 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.952 13.830 5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.064 11.459 5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.350 12.343 7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.463 13.748 4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.307 13.027 5.606 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.407 14.916 6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.995 15.565 5.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.645 15.407 8.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.579 14.365 7.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.946 13.736 8.217 1.00 0.00 H new ATOM 1580 N PRO A 103 8.689 10.372 3.323 1.00 0.00 N ATOM 1581 CA PRO A 103 8.031 9.159 2.829 1.00 0.00 C ATOM 1582 C PRO A 103 6.976 8.636 3.798 1.00 0.00 C ATOM 1583 O PRO A 103 6.646 9.294 4.786 1.00 0.00 O ATOM 1584 CB PRO A 103 9.182 8.158 2.700 1.00 0.00 C ATOM 1585 CG PRO A 103 10.205 8.630 3.674 1.00 0.00 C ATOM 1586 CD PRO A 103 10.092 10.129 3.700 1.00 0.00 C ATOM 0 HA PRO A 103 7.496 9.337 1.896 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.853 7.145 2.931 1.00 0.00 H new ATOM 0 HB3 PRO A 103 9.580 8.141 1.685 1.00 0.00 H new ATOM 0 HG2 PRO A 103 10.026 8.208 4.663 1.00 0.00 H new ATOM 0 HG3 PRO A 103 11.205 8.319 3.371 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.318 10.532 4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 103 10.783 10.596 2.999 1.00 0.00 H new ATOM 1594 N LEU A 104 6.450 7.451 3.510 1.00 0.00 N ATOM 1595 CA LEU A 104 5.432 6.839 4.357 1.00 0.00 C ATOM 1596 C LEU A 104 5.856 5.440 4.793 1.00 0.00 C ATOM 1597 O LEU A 104 6.546 4.734 4.059 1.00 0.00 O ATOM 1598 CB LEU A 104 4.097 6.772 3.615 1.00 0.00 C ATOM 1599 CG LEU A 104 3.813 7.913 2.637 1.00 0.00 C ATOM 1600 CD1 LEU A 104 4.362 7.583 1.258 1.00 0.00 C ATOM 1601 CD2 LEU A 104 2.320 8.195 2.565 1.00 0.00 C ATOM 0 H LEU A 104 6.711 6.894 2.696 1.00 0.00 H new ATOM 0 HA LEU A 104 5.315 7.457 5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.057 5.831 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.295 6.745 4.353 1.00 0.00 H new ATOM 0 HG LEU A 104 4.315 8.810 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.151 8.406 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.440 7.432 1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.890 6.673 0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.137 9.010 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.797 7.301 2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.955 8.477 3.553 1.00 0.00 H new ATOM 1613 N GLU A 105 5.435 5.047 5.991 1.00 0.00 N ATOM 1614 CA GLU A 105 5.770 3.732 6.524 1.00 0.00 C ATOM 1615 C GLU A 105 4.665 2.724 6.221 1.00 0.00 C ATOM 1616 O GLU A 105 4.011 2.210 7.130 1.00 0.00 O ATOM 1617 CB GLU A 105 6.002 3.812 8.034 1.00 0.00 C ATOM 1618 CG GLU A 105 6.576 2.538 8.631 1.00 0.00 C ATOM 1619 CD GLU A 105 7.211 2.765 9.989 1.00 0.00 C ATOM 1620 OE1 GLU A 105 6.483 3.140 10.931 1.00 0.00 O ATOM 1621 OE2 GLU A 105 8.439 2.566 10.109 1.00 0.00 O ATOM 0 H GLU A 105 4.862 5.620 6.610 1.00 0.00 H new ATOM 0 HA GLU A 105 6.687 3.396 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.679 4.639 8.245 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.057 4.040 8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.783 1.796 8.724 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.321 2.126 7.950 1.00 0.00 H new ATOM 1628 N LEU A 106 4.461 2.447 4.938 1.00 0.00 N ATOM 1629 CA LEU A 106 3.435 1.501 4.513 1.00 0.00 C ATOM 1630 C LEU A 106 3.729 0.102 5.046 1.00 0.00 C ATOM 1631 O LEU A 106 4.720 -0.521 4.667 1.00 0.00 O ATOM 1632 CB LEU A 106 3.343 1.469 2.987 1.00 0.00 C ATOM 1633 CG LEU A 106 2.658 0.244 2.381 1.00 0.00 C ATOM 1634 CD1 LEU A 106 1.207 0.167 2.831 1.00 0.00 C ATOM 1635 CD2 LEU A 106 2.745 0.280 0.862 1.00 0.00 C ATOM 0 H LEU A 106 4.992 2.864 4.174 1.00 0.00 H new ATOM 0 HA LEU A 106 2.480 1.832 4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.809 2.360 2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.352 1.534 2.581 1.00 0.00 H new ATOM 0 HG LEU A 106 3.175 -0.648 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.735 -0.711 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.167 0.093 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 106 0.678 1.064 2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.252 -0.600 0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.254 1.179 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.792 0.286 0.558 1.00 0.00 H new ATOM 1647 N ARG A 107 2.860 -0.385 5.926 1.00 0.00 N ATOM 1648 CA ARG A 107 3.026 -1.711 6.509 1.00 0.00 C ATOM 1649 C ARG A 107 1.950 -2.667 6.003 1.00 0.00 C ATOM 1650 O ARG A 107 0.759 -2.360 6.055 1.00 0.00 O ATOM 1651 CB ARG A 107 2.973 -1.629 8.036 1.00 0.00 C ATOM 1652 CG ARG A 107 3.080 -2.981 8.723 1.00 0.00 C ATOM 1653 CD ARG A 107 3.440 -2.832 10.193 1.00 0.00 C ATOM 1654 NE ARG A 107 2.259 -2.629 11.027 1.00 0.00 N ATOM 1655 CZ ARG A 107 1.701 -1.441 11.235 1.00 0.00 C ATOM 1656 NH1 ARG A 107 2.215 -0.356 10.672 1.00 0.00 N ATOM 1657 NH2 ARG A 107 0.627 -1.337 12.007 1.00 0.00 N ATOM 0 H ARG A 107 2.034 0.118 6.251 1.00 0.00 H new ATOM 0 HA ARG A 107 4.000 -2.095 6.205 1.00 0.00 H new ATOM 0 HB2 ARG A 107 3.783 -0.988 8.385 1.00 0.00 H new ATOM 0 HB3 ARG A 107 2.039 -1.153 8.334 1.00 0.00 H new ATOM 0 HG2 ARG A 107 2.133 -3.513 8.631 1.00 0.00 H new ATOM 0 HG3 ARG A 107 3.835 -3.586 8.222 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.972 -3.722 10.528 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.120 -1.989 10.316 1.00 0.00 H new ATOM 0 HE ARG A 107 1.839 -3.444 11.475 1.00 0.00 H new ATOM 0 HH11 ARG A 107 3.040 -0.432 10.078 1.00 0.00 H new ATOM 0 HH12 ARG A 107 1.785 0.555 10.833 1.00 0.00 H new ATOM 0 HH21 ARG A 107 0.229 -2.169 12.442 1.00 0.00 H new ATOM 0 HH22 ARG A 107 0.200 -0.425 12.166 1.00 0.00 H new ATOM 1671 N ILE A 108 2.379 -3.825 5.512 1.00 0.00 N ATOM 1672 CA ILE A 108 1.453 -4.825 4.997 1.00 0.00 C ATOM 1673 C ILE A 108 1.546 -6.123 5.792 1.00 0.00 C ATOM 1674 O ILE A 108 2.516 -6.871 5.671 1.00 0.00 O ATOM 1675 CB ILE A 108 1.721 -5.128 3.510 1.00 0.00 C ATOM 1676 CG1 ILE A 108 1.812 -3.826 2.711 1.00 0.00 C ATOM 1677 CG2 ILE A 108 0.629 -6.025 2.947 1.00 0.00 C ATOM 1678 CD1 ILE A 108 2.076 -4.040 1.237 1.00 0.00 C ATOM 0 H ILE A 108 3.362 -4.093 5.460 1.00 0.00 H new ATOM 0 HA ILE A 108 0.451 -4.409 5.101 1.00 0.00 H new ATOM 0 HB ILE A 108 2.673 -5.652 3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.881 -3.271 2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.607 -3.208 3.128 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.832 -6.230 1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.607 -6.963 3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.336 -5.526 3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.128 -3.075 0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.021 -4.568 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.269 -4.632 0.805 1.00 0.00 H new ATOM 1690 N LYS A 109 0.530 -6.385 6.607 1.00 0.00 N ATOM 1691 CA LYS A 109 0.493 -7.593 7.422 1.00 0.00 C ATOM 1692 C LYS A 109 -0.131 -8.751 6.650 1.00 0.00 C ATOM 1693 O LYS A 109 -0.992 -8.548 5.795 1.00 0.00 O ATOM 1694 CB LYS A 109 -0.294 -7.342 8.710 1.00 0.00 C ATOM 1695 CG LYS A 109 -0.430 -8.572 9.590 1.00 0.00 C ATOM 1696 CD LYS A 109 -0.819 -8.200 11.011 1.00 0.00 C ATOM 1697 CE LYS A 109 -2.328 -8.084 11.164 1.00 0.00 C ATOM 1698 NZ LYS A 109 -2.836 -6.774 10.670 1.00 0.00 N ATOM 0 H LYS A 109 -0.280 -5.776 6.721 1.00 0.00 H new ATOM 0 HA LYS A 109 1.519 -7.860 7.677 1.00 0.00 H new ATOM 0 HB2 LYS A 109 0.198 -6.552 9.278 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.289 -6.978 8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -1.181 -9.240 9.169 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.513 -9.119 9.601 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.439 -8.952 11.702 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.351 -7.253 11.281 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.812 -8.892 10.615 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.597 -8.206 12.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.686 -6.506 11.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.103 -6.047 10.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.075 -6.852 9.661 1.00 0.00 H new ATOM 1712 N VAL A 110 0.309 -9.967 6.959 1.00 0.00 N ATOM 1713 CA VAL A 110 -0.209 -11.158 6.296 1.00 0.00 C ATOM 1714 C VAL A 110 -1.071 -11.984 7.244 1.00 0.00 C ATOM 1715 O VAL A 110 -0.573 -12.558 8.213 1.00 0.00 O ATOM 1716 CB VAL A 110 0.932 -12.041 5.756 1.00 0.00 C ATOM 1717 CG1 VAL A 110 0.372 -13.267 5.052 1.00 0.00 C ATOM 1718 CG2 VAL A 110 1.827 -11.242 4.821 1.00 0.00 C ATOM 0 H VAL A 110 1.022 -10.153 7.664 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.819 -10.815 5.461 1.00 0.00 H new ATOM 0 HB VAL A 110 1.535 -12.380 6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 110 1.193 -13.878 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.223 -13.850 5.755 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.256 -12.953 4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.628 -11.881 4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.238 -10.872 3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 110 2.258 -10.399 5.362 1.00 0.00 H new ATOM 1728 N LEU A 111 -2.367 -12.042 6.957 1.00 0.00 N ATOM 1729 CA LEU A 111 -3.300 -12.799 7.784 1.00 0.00 C ATOM 1730 C LEU A 111 -3.325 -14.267 7.373 1.00 0.00 C ATOM 1731 O LEU A 111 -3.165 -14.596 6.197 1.00 0.00 O ATOM 1732 CB LEU A 111 -4.705 -12.204 7.677 1.00 0.00 C ATOM 1733 CG LEU A 111 -4.783 -10.681 7.571 1.00 0.00 C ATOM 1734 CD1 LEU A 111 -6.224 -10.231 7.389 1.00 0.00 C ATOM 1735 CD2 LEU A 111 -4.171 -10.028 8.802 1.00 0.00 C ATOM 0 H LEU A 111 -2.795 -11.574 6.158 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.963 -12.736 8.819 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -5.194 -12.634 6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -5.278 -12.517 8.550 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.213 -10.368 6.696 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.259 -9.144 7.316 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.630 -10.670 6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.817 -10.556 8.243 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.235 -8.944 8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.713 -10.349 9.692 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.125 -10.323 8.889 1.00 0.00 H new ATOM 1747 N ASP A 112 -3.527 -15.146 8.348 1.00 0.00 N ATOM 1748 CA ASP A 112 -3.576 -16.580 8.087 1.00 0.00 C ATOM 1749 C ASP A 112 -4.770 -16.932 7.205 1.00 0.00 C ATOM 1750 O ASP A 112 -5.582 -16.069 6.870 1.00 0.00 O ATOM 1751 CB ASP A 112 -3.653 -17.357 9.403 1.00 0.00 C ATOM 1752 CG ASP A 112 -2.297 -17.510 10.064 1.00 0.00 C ATOM 1753 OD1 ASP A 112 -1.366 -18.011 9.399 1.00 0.00 O ATOM 1754 OD2 ASP A 112 -2.167 -17.130 11.247 1.00 0.00 O ATOM 0 H ASP A 112 -3.660 -14.891 9.327 1.00 0.00 H new ATOM 0 HA ASP A 112 -2.663 -16.859 7.561 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.331 -16.844 10.085 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -4.076 -18.344 9.215 1.00 0.00 H new ATOM 1759 N ILE A 113 -4.869 -18.203 6.831 1.00 0.00 N ATOM 1760 CA ILE A 113 -5.963 -18.667 5.987 1.00 0.00 C ATOM 1761 C ILE A 113 -7.301 -18.548 6.708 1.00 0.00 C ATOM 1762 O ILE A 113 -8.329 -18.274 6.089 1.00 0.00 O ATOM 1763 CB ILE A 113 -5.756 -20.130 5.551 1.00 0.00 C ATOM 1764 CG1 ILE A 113 -6.927 -20.597 4.685 1.00 0.00 C ATOM 1765 CG2 ILE A 113 -5.598 -21.028 6.768 1.00 0.00 C ATOM 1766 CD1 ILE A 113 -7.296 -19.622 3.589 1.00 0.00 C ATOM 0 H ILE A 113 -4.205 -18.930 7.099 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.971 -18.030 5.102 1.00 0.00 H new ATOM 0 HB ILE A 113 -4.843 -20.192 4.958 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -6.675 -21.558 4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -7.796 -20.761 5.322 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.453 -22.058 6.443 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.734 -20.705 7.349 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.494 -20.965 7.385 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -8.134 -20.019 3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -7.579 -18.667 4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.441 -19.476 2.929 1.00 0.00 H new ATOM 1778 N ASN A 114 -7.281 -18.755 8.021 1.00 0.00 N ATOM 1779 CA ASN A 114 -8.493 -18.670 8.827 1.00 0.00 C ATOM 1780 C ASN A 114 -8.515 -17.380 9.641 1.00 0.00 C ATOM 1781 O ASN A 114 -8.909 -17.376 10.807 1.00 0.00 O ATOM 1782 CB ASN A 114 -8.595 -19.877 9.761 1.00 0.00 C ATOM 1783 CG ASN A 114 -9.305 -21.051 9.114 1.00 0.00 C ATOM 1784 OD1 ASN A 114 -10.528 -21.046 8.967 1.00 0.00 O ATOM 1785 ND2 ASN A 114 -8.540 -22.063 8.724 1.00 0.00 N ATOM 0 H ASN A 114 -6.439 -18.983 8.549 1.00 0.00 H new ATOM 0 HA ASN A 114 -9.349 -18.668 8.152 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.594 -20.184 10.064 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.128 -19.588 10.667 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.961 -22.880 8.282 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -7.531 -22.024 8.866 1.00 0.00 H new ATOM 1792 N ASP A 115 -8.090 -16.286 9.018 1.00 0.00 N ATOM 1793 CA ASP A 115 -8.063 -14.989 9.684 1.00 0.00 C ATOM 1794 C ASP A 115 -9.317 -14.784 10.527 1.00 0.00 C ATOM 1795 O ASP A 115 -10.416 -14.631 9.997 1.00 0.00 O ATOM 1796 CB ASP A 115 -7.938 -13.866 8.653 1.00 0.00 C ATOM 1797 CG ASP A 115 -9.241 -13.600 7.925 1.00 0.00 C ATOM 1798 OD1 ASP A 115 -9.574 -14.374 7.002 1.00 0.00 O ATOM 1799 OD2 ASP A 115 -9.928 -12.620 8.278 1.00 0.00 O ATOM 0 H ASP A 115 -7.760 -16.272 8.053 1.00 0.00 H new ATOM 0 HA ASP A 115 -7.196 -14.965 10.344 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -7.611 -12.954 9.152 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -7.167 -14.127 7.928 1.00 0.00 H new