USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 805 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 37 SER OG : rot 78:sc=-0.00389 USER MOD Set 2.2: A 43 GLN : amide:sc= -0.0813 X(o=-0.085,f=-0.041) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.417 X(o=-0.42,f=-0.35) USER MOD Single : A 23 THR OG1 : rot 70:sc= -0.908 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -2.85! USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -158:sc= -0.467 (180deg=-1.21) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.111 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.196 USER MOD Single : A 51 ASN : amide:sc= 0.00302 X(o=0.003,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -101:sc= 0.638 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -2.8! X(o=-2.8!,f=-3.1) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.0286 X(o=-0.029,f=-0.029) USER MOD Single : A 73 TYR OH : rot -165:sc= 1.25 USER MOD Single : A 78 LYS NZ :NH3+ -162:sc= -0.0139 (180deg=-0.172) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot -73:sc= 0.0681 USER MOD Single : A 92 SER OG : rot 180:sc=-0.00849 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 168:sc= -0.0122 (180deg=-0.223) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -1.42 F(o=-3.9!,f=-1.4) USER MOD Single : A 100 TYR OH : rot 130:sc= -3.95! USER MOD Single : A 101 HIS : no HD1:sc= -0.514 X(o=-0.51,f=-0.61) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HE2:sc= -3.73! C(o=-3.7!,f=-10!) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 117 TYR OH : rot -140:sc= -1.2 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N PRO A 14 -3.318 0.932 -15.619 1.00 0.00 N ATOM 168 CA PRO A 14 -2.123 0.948 -14.769 1.00 0.00 C ATOM 169 C PRO A 14 -2.457 0.745 -13.295 1.00 0.00 C ATOM 170 O PRO A 14 -1.888 -0.123 -12.633 1.00 0.00 O ATOM 171 CB PRO A 14 -1.543 2.346 -14.998 1.00 0.00 C ATOM 172 CG PRO A 14 -2.710 3.178 -15.408 1.00 0.00 C ATOM 173 CD PRO A 14 -3.623 2.261 -16.175 1.00 0.00 C ATOM 0 HA PRO A 14 -1.435 0.140 -15.018 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.078 2.735 -14.092 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.774 2.334 -15.771 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.217 3.595 -14.538 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.393 4.018 -16.025 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.671 2.526 -16.032 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.427 2.303 -17.246 1.00 0.00 H new ATOM 181 N LEU A 15 -3.384 1.550 -12.788 1.00 0.00 N ATOM 182 CA LEU A 15 -3.795 1.459 -11.391 1.00 0.00 C ATOM 183 C LEU A 15 -5.310 1.316 -11.277 1.00 0.00 C ATOM 184 O LEU A 15 -6.059 2.288 -11.384 1.00 0.00 O ATOM 185 CB LEU A 15 -3.328 2.694 -10.619 1.00 0.00 C ATOM 186 CG LEU A 15 -1.956 2.590 -9.953 1.00 0.00 C ATOM 187 CD1 LEU A 15 -1.978 1.548 -8.845 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.887 2.254 -10.982 1.00 0.00 C ATOM 0 H LEU A 15 -3.865 2.273 -13.323 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.331 0.572 -10.959 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.314 3.542 -11.304 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.067 2.918 -9.850 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.715 3.556 -9.510 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.993 1.488 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.715 1.831 -8.094 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.242 0.577 -9.264 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.083 2.184 -10.490 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.124 1.301 -11.454 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.853 3.036 -11.740 1.00 0.00 H new ATOM 200 N PRO A 16 -5.773 0.078 -11.053 1.00 0.00 N ATOM 201 CA PRO A 16 -7.202 -0.221 -10.917 1.00 0.00 C ATOM 202 C PRO A 16 -7.790 0.338 -9.626 1.00 0.00 C ATOM 203 O PRO A 16 -7.067 0.600 -8.666 1.00 0.00 O ATOM 204 CB PRO A 16 -7.245 -1.751 -10.906 1.00 0.00 C ATOM 205 CG PRO A 16 -5.902 -2.164 -10.411 1.00 0.00 C ATOM 206 CD PRO A 16 -4.937 -1.127 -10.915 1.00 0.00 C ATOM 0 HA PRO A 16 -7.791 0.229 -11.716 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.038 -2.120 -10.255 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.439 -2.149 -11.902 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.886 -2.215 -9.322 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.638 -3.155 -10.780 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.116 -0.969 -10.216 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.493 -1.420 -11.867 1.00 0.00 H new ATOM 214 N ASN A 17 -9.107 0.518 -9.611 1.00 0.00 N ATOM 215 CA ASN A 17 -9.792 1.047 -8.437 1.00 0.00 C ATOM 216 C ASN A 17 -10.117 -0.069 -7.449 1.00 0.00 C ATOM 217 O ASN A 17 -11.138 -0.027 -6.762 1.00 0.00 O ATOM 218 CB ASN A 17 -11.078 1.766 -8.852 1.00 0.00 C ATOM 219 CG ASN A 17 -10.832 3.212 -9.236 1.00 0.00 C ATOM 220 OD1 ASN A 17 -9.774 3.555 -9.762 1.00 0.00 O ATOM 221 ND2 ASN A 17 -11.813 4.068 -8.974 1.00 0.00 N ATOM 0 H ASN A 17 -9.721 0.306 -10.398 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.127 1.759 -7.949 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.529 1.241 -9.694 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.794 1.727 -8.031 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.706 5.054 -9.210 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.674 3.739 -8.537 1.00 0.00 H new ATOM 228 N SER A 18 -9.241 -1.067 -7.382 1.00 0.00 N ATOM 229 CA SER A 18 -9.436 -2.196 -6.480 1.00 0.00 C ATOM 230 C SER A 18 -8.353 -2.226 -5.405 1.00 0.00 C ATOM 231 O SER A 18 -8.620 -2.548 -4.248 1.00 0.00 O ATOM 232 CB SER A 18 -9.428 -3.510 -7.264 1.00 0.00 C ATOM 233 OG SER A 18 -10.699 -3.771 -7.833 1.00 0.00 O ATOM 0 H SER A 18 -8.390 -1.116 -7.942 1.00 0.00 H new ATOM 0 HA SER A 18 -10.404 -2.077 -5.993 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.676 -3.463 -8.052 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.146 -4.330 -6.603 1.00 0.00 H new ATOM 0 HG SER A 18 -10.668 -4.615 -8.330 1.00 0.00 H new ATOM 239 N VAL A 19 -7.129 -1.887 -5.798 1.00 0.00 N ATOM 240 CA VAL A 19 -6.005 -1.874 -4.869 1.00 0.00 C ATOM 241 C VAL A 19 -6.176 -0.787 -3.815 1.00 0.00 C ATOM 242 O VAL A 19 -5.908 -1.005 -2.633 1.00 0.00 O ATOM 243 CB VAL A 19 -4.671 -1.653 -5.607 1.00 0.00 C ATOM 244 CG1 VAL A 19 -4.457 -2.731 -6.659 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.633 -0.268 -6.235 1.00 0.00 C ATOM 0 H VAL A 19 -6.891 -1.618 -6.753 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.985 -2.849 -4.381 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.859 -1.721 -4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.510 -2.558 -7.170 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.437 -3.709 -6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.271 -2.699 -7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.684 -0.129 -6.752 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.452 -0.169 -6.947 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.736 0.488 -5.456 1.00 0.00 H new ATOM 255 N PHE A 20 -6.626 0.386 -4.249 1.00 0.00 N ATOM 256 CA PHE A 20 -6.833 1.509 -3.342 1.00 0.00 C ATOM 257 C PHE A 20 -7.960 1.212 -2.358 1.00 0.00 C ATOM 258 O PHE A 20 -9.138 1.264 -2.711 1.00 0.00 O ATOM 259 CB PHE A 20 -7.153 2.779 -4.134 1.00 0.00 C ATOM 260 CG PHE A 20 -6.161 3.073 -5.222 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.297 2.499 -6.476 1.00 0.00 C ATOM 262 CD2 PHE A 20 -5.092 3.924 -4.991 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.386 2.768 -7.480 1.00 0.00 C ATOM 264 CE2 PHE A 20 -4.178 4.197 -5.991 1.00 0.00 C ATOM 265 CZ PHE A 20 -4.324 3.618 -7.237 1.00 0.00 C ATOM 0 H PHE A 20 -6.854 0.583 -5.223 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.913 1.663 -2.778 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.145 2.682 -4.575 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.190 3.626 -3.448 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.125 1.833 -6.671 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.972 4.379 -4.019 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.504 2.315 -8.453 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.350 4.863 -5.799 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.610 3.829 -8.019 1.00 0.00 H new ATOM 275 N VAL A 21 -7.589 0.899 -1.120 1.00 0.00 N ATOM 276 CA VAL A 21 -8.567 0.594 -0.083 1.00 0.00 C ATOM 277 C VAL A 21 -8.695 1.745 0.908 1.00 0.00 C ATOM 278 O VAL A 21 -7.729 2.459 1.174 1.00 0.00 O ATOM 279 CB VAL A 21 -8.192 -0.689 0.683 1.00 0.00 C ATOM 280 CG1 VAL A 21 -6.841 -0.528 1.363 1.00 0.00 C ATOM 281 CG2 VAL A 21 -9.270 -1.038 1.697 1.00 0.00 C ATOM 0 H VAL A 21 -6.618 0.850 -0.811 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.523 0.443 -0.585 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.118 -1.510 -0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.592 -1.444 1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.077 -0.328 0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.884 0.304 2.066 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.989 -1.947 2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.378 -0.220 2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.217 -1.198 1.181 1.00 0.00 H new ATOM 291 N ASN A 22 -9.895 1.920 1.452 1.00 0.00 N ATOM 292 CA ASN A 22 -10.150 2.986 2.414 1.00 0.00 C ATOM 293 C ASN A 22 -9.920 2.497 3.841 1.00 0.00 C ATOM 294 O ASN A 22 -10.477 3.042 4.794 1.00 0.00 O ATOM 295 CB ASN A 22 -11.582 3.504 2.266 1.00 0.00 C ATOM 296 CG ASN A 22 -11.800 4.818 2.990 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.645 4.917 3.880 1.00 0.00 O ATOM 298 ND2 ASN A 22 -11.036 5.836 2.611 1.00 0.00 N ATOM 0 H ASN A 22 -10.706 1.338 1.243 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.454 3.799 2.210 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.811 3.633 1.208 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.277 2.759 2.654 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.137 6.745 3.062 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.348 5.709 1.869 1.00 0.00 H new ATOM 305 N THR A 23 -9.094 1.464 3.981 1.00 0.00 N ATOM 306 CA THR A 23 -8.790 0.901 5.290 1.00 0.00 C ATOM 307 C THR A 23 -7.467 1.436 5.825 1.00 0.00 C ATOM 308 O THR A 23 -6.413 1.235 5.220 1.00 0.00 O ATOM 309 CB THR A 23 -8.726 -0.637 5.239 1.00 0.00 C ATOM 310 OG1 THR A 23 -8.767 -1.174 6.566 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.459 -1.103 4.537 1.00 0.00 C ATOM 0 H THR A 23 -8.624 1.001 3.203 1.00 0.00 H new ATOM 0 HA THR A 23 -9.597 1.202 5.958 1.00 0.00 H new ATOM 0 HB THR A 23 -9.588 -0.996 4.676 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.660 -1.037 6.947 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.436 -2.192 4.513 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.445 -0.717 3.518 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.587 -0.733 5.077 1.00 0.00 H new ATOM 319 N THR A 24 -7.527 2.118 6.964 1.00 0.00 N ATOM 320 CA THR A 24 -6.333 2.683 7.581 1.00 0.00 C ATOM 321 C THR A 24 -5.784 1.760 8.663 1.00 0.00 C ATOM 322 O THR A 24 -5.198 2.219 9.643 1.00 0.00 O ATOM 323 CB THR A 24 -6.619 4.065 8.197 1.00 0.00 C ATOM 324 OG1 THR A 24 -7.630 3.953 9.204 1.00 0.00 O ATOM 325 CG2 THR A 24 -7.067 5.051 7.129 1.00 0.00 C ATOM 0 H THR A 24 -8.390 2.293 7.478 1.00 0.00 H new ATOM 0 HA THR A 24 -5.591 2.793 6.790 1.00 0.00 H new ATOM 0 HB THR A 24 -5.698 4.435 8.647 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.805 4.836 9.592 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.263 6.020 7.588 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.283 5.157 6.379 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.977 4.684 6.653 1.00 0.00 H new ATOM 333 N GLU A 25 -5.978 0.458 8.479 1.00 0.00 N ATOM 334 CA GLU A 25 -5.502 -0.528 9.441 1.00 0.00 C ATOM 335 C GLU A 25 -4.710 -1.631 8.744 1.00 0.00 C ATOM 336 O GLU A 25 -5.285 -2.560 8.177 1.00 0.00 O ATOM 337 CB GLU A 25 -6.679 -1.137 10.206 1.00 0.00 C ATOM 338 CG GLU A 25 -7.562 -0.104 10.886 1.00 0.00 C ATOM 339 CD GLU A 25 -7.110 0.210 12.299 1.00 0.00 C ATOM 340 OE1 GLU A 25 -6.560 -0.694 12.962 1.00 0.00 O ATOM 341 OE2 GLU A 25 -7.308 1.361 12.742 1.00 0.00 O ATOM 0 H GLU A 25 -6.461 0.062 7.673 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.843 -0.021 10.146 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.286 -1.724 9.516 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.295 -1.826 10.958 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.562 0.813 10.296 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.589 -0.468 10.910 1.00 0.00 H new ATOM 348 N SER A 26 -3.386 -1.520 8.790 1.00 0.00 N ATOM 349 CA SER A 26 -2.514 -2.504 8.159 1.00 0.00 C ATOM 350 C SER A 26 -3.008 -3.922 8.432 1.00 0.00 C ATOM 351 O SER A 26 -3.006 -4.774 7.543 1.00 0.00 O ATOM 352 CB SER A 26 -1.079 -2.345 8.667 1.00 0.00 C ATOM 353 OG SER A 26 -0.503 -1.139 8.197 1.00 0.00 O ATOM 0 H SER A 26 -2.894 -0.759 9.258 1.00 0.00 H new ATOM 0 HA SER A 26 -2.532 -2.332 7.083 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.073 -2.354 9.757 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.477 -3.192 8.337 1.00 0.00 H new ATOM 0 HG SER A 26 0.413 -1.060 8.537 1.00 0.00 H new ATOM 359 N CYS A 27 -3.430 -4.167 9.668 1.00 0.00 N ATOM 360 CA CYS A 27 -3.926 -5.481 10.060 1.00 0.00 C ATOM 361 C CYS A 27 -5.101 -5.902 9.183 1.00 0.00 C ATOM 362 O CYS A 27 -5.150 -7.031 8.696 1.00 0.00 O ATOM 363 CB CYS A 27 -4.349 -5.472 11.530 1.00 0.00 C ATOM 364 SG CYS A 27 -4.583 -7.117 12.241 1.00 0.00 S ATOM 0 H CYS A 27 -3.438 -3.473 10.415 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.119 -6.202 9.926 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.595 -4.941 12.111 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.279 -4.911 11.626 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.937 -7.005 13.487 1.00 0.00 H new ATOM 370 N GLU A 28 -6.046 -4.987 8.989 1.00 0.00 N ATOM 371 CA GLU A 28 -7.222 -5.266 8.173 1.00 0.00 C ATOM 372 C GLU A 28 -6.817 -5.754 6.785 1.00 0.00 C ATOM 373 O GLU A 28 -7.314 -6.772 6.303 1.00 0.00 O ATOM 374 CB GLU A 28 -8.094 -4.015 8.051 1.00 0.00 C ATOM 375 CG GLU A 28 -9.256 -4.174 7.086 1.00 0.00 C ATOM 376 CD GLU A 28 -10.333 -5.100 7.617 1.00 0.00 C ATOM 377 OE1 GLU A 28 -9.982 -6.146 8.201 1.00 0.00 O ATOM 378 OE2 GLU A 28 -11.528 -4.777 7.448 1.00 0.00 O ATOM 0 H GLU A 28 -6.020 -4.047 9.385 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.795 -6.053 8.664 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.483 -3.757 9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.473 -3.180 7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.691 -3.195 6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.885 -4.561 6.137 1.00 0.00 H new ATOM 385 N VAL A 29 -5.911 -5.020 6.146 1.00 0.00 N ATOM 386 CA VAL A 29 -5.438 -5.377 4.814 1.00 0.00 C ATOM 387 C VAL A 29 -5.011 -6.839 4.756 1.00 0.00 C ATOM 388 O VAL A 29 -5.381 -7.568 3.836 1.00 0.00 O ATOM 389 CB VAL A 29 -4.256 -4.490 4.382 1.00 0.00 C ATOM 390 CG1 VAL A 29 -3.705 -4.951 3.041 1.00 0.00 C ATOM 391 CG2 VAL A 29 -4.679 -3.031 4.321 1.00 0.00 C ATOM 0 H VAL A 29 -5.490 -4.174 6.530 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.271 -5.218 4.129 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.464 -4.583 5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.870 -4.312 2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.361 -5.982 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.488 -4.889 2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.831 -2.419 4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.489 -2.917 3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.021 -2.710 5.305 1.00 0.00 H new ATOM 401 N GLU A 30 -4.230 -7.262 5.746 1.00 0.00 N ATOM 402 CA GLU A 30 -3.752 -8.638 5.807 1.00 0.00 C ATOM 403 C GLU A 30 -4.914 -9.622 5.715 1.00 0.00 C ATOM 404 O GLU A 30 -4.825 -10.642 5.031 1.00 0.00 O ATOM 405 CB GLU A 30 -2.972 -8.873 7.102 1.00 0.00 C ATOM 406 CG GLU A 30 -2.310 -10.239 7.174 1.00 0.00 C ATOM 407 CD GLU A 30 -1.176 -10.286 8.179 1.00 0.00 C ATOM 408 OE1 GLU A 30 -1.453 -10.502 9.377 1.00 0.00 O ATOM 409 OE2 GLU A 30 -0.011 -10.107 7.766 1.00 0.00 O ATOM 0 H GLU A 30 -3.915 -6.672 6.516 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.090 -8.804 4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.208 -8.102 7.201 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.649 -8.761 7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.057 -10.987 7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.928 -10.506 6.189 1.00 0.00 H new ATOM 416 N ARG A 31 -6.004 -9.309 6.408 1.00 0.00 N ATOM 417 CA ARG A 31 -7.183 -10.166 6.406 1.00 0.00 C ATOM 418 C ARG A 31 -7.823 -10.207 5.022 1.00 0.00 C ATOM 419 O ARG A 31 -8.071 -11.281 4.472 1.00 0.00 O ATOM 420 CB ARG A 31 -8.201 -9.671 7.436 1.00 0.00 C ATOM 421 CG ARG A 31 -9.399 -10.591 7.599 1.00 0.00 C ATOM 422 CD ARG A 31 -10.459 -9.973 8.497 1.00 0.00 C ATOM 423 NE ARG A 31 -11.758 -10.622 8.339 1.00 0.00 N ATOM 424 CZ ARG A 31 -12.909 -10.058 8.689 1.00 0.00 C ATOM 425 NH1 ARG A 31 -12.922 -8.841 9.214 1.00 0.00 N ATOM 426 NH2 ARG A 31 -14.049 -10.712 8.514 1.00 0.00 N ATOM 0 H ARG A 31 -6.095 -8.468 6.978 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.868 -11.175 6.672 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.705 -9.560 8.400 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.551 -8.681 7.142 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.830 -10.806 6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.074 -11.542 8.020 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.141 -10.047 9.537 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.554 -8.912 8.268 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.783 -11.560 7.938 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.047 -8.335 9.350 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.807 -8.411 9.482 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -14.043 -11.649 8.110 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.932 -10.278 8.783 1.00 0.00 H new ATOM 440 N LEU A 32 -8.090 -9.031 4.464 1.00 0.00 N ATOM 441 CA LEU A 32 -8.702 -8.932 3.143 1.00 0.00 C ATOM 442 C LEU A 32 -7.962 -9.804 2.133 1.00 0.00 C ATOM 443 O LEU A 32 -8.553 -10.681 1.504 1.00 0.00 O ATOM 444 CB LEU A 32 -8.708 -7.477 2.670 1.00 0.00 C ATOM 445 CG LEU A 32 -9.289 -6.456 3.649 1.00 0.00 C ATOM 446 CD1 LEU A 32 -9.108 -5.043 3.116 1.00 0.00 C ATOM 447 CD2 LEU A 32 -10.759 -6.745 3.912 1.00 0.00 C ATOM 0 H LEU A 32 -7.892 -8.133 4.905 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.730 -9.288 3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.683 -7.187 2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.273 -7.421 1.739 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.750 -6.538 4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.527 -4.330 3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.046 -4.838 2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.621 -4.947 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.155 -6.008 4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.314 -6.692 2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.863 -7.743 4.339 1.00 0.00 H new ATOM 459 N PHE A 33 -6.664 -9.557 1.985 1.00 0.00 N ATOM 460 CA PHE A 33 -5.842 -10.320 1.053 1.00 0.00 C ATOM 461 C PHE A 33 -6.253 -11.789 1.043 1.00 0.00 C ATOM 462 O PHE A 33 -6.671 -12.323 0.015 1.00 0.00 O ATOM 463 CB PHE A 33 -4.363 -10.194 1.423 1.00 0.00 C ATOM 464 CG PHE A 33 -3.715 -8.950 0.887 1.00 0.00 C ATOM 465 CD1 PHE A 33 -4.434 -7.771 0.774 1.00 0.00 C ATOM 466 CD2 PHE A 33 -2.385 -8.959 0.497 1.00 0.00 C ATOM 467 CE1 PHE A 33 -3.840 -6.625 0.280 1.00 0.00 C ATOM 468 CE2 PHE A 33 -1.785 -7.816 0.002 1.00 0.00 C ATOM 469 CZ PHE A 33 -2.514 -6.647 -0.105 1.00 0.00 C ATOM 0 H PHE A 33 -6.159 -8.835 2.499 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.995 -9.912 0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.266 -10.206 2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.827 -11.065 1.046 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.471 -7.747 1.075 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.811 -9.870 0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.412 -5.713 0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.748 -7.837 -0.300 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.047 -5.752 -0.489 1.00 0.00 H new ATOM 479 N LYS A 34 -6.130 -12.439 2.195 1.00 0.00 N ATOM 480 CA LYS A 34 -6.488 -13.847 2.322 1.00 0.00 C ATOM 481 C LYS A 34 -7.962 -14.065 1.998 1.00 0.00 C ATOM 482 O LYS A 34 -8.333 -15.074 1.399 1.00 0.00 O ATOM 483 CB LYS A 34 -6.186 -14.346 3.737 1.00 0.00 C ATOM 484 CG LYS A 34 -4.741 -14.144 4.159 1.00 0.00 C ATOM 485 CD LYS A 34 -4.626 -13.895 5.653 1.00 0.00 C ATOM 486 CE LYS A 34 -3.180 -13.674 6.071 1.00 0.00 C ATOM 487 NZ LYS A 34 -3.052 -13.478 7.542 1.00 0.00 N ATOM 0 H LYS A 34 -5.785 -12.013 3.055 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.890 -14.414 1.608 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.837 -13.829 4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.428 -15.407 3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.156 -15.023 3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.317 -13.300 3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.222 -13.024 5.925 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.038 -14.745 6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.579 -14.530 5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.781 -12.802 5.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.165 -12.976 7.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.856 -12.918 7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.045 -14.404 8.016 1.00 0.00 H new ATOM 501 N ALA A 35 -8.798 -13.112 2.397 1.00 0.00 N ATOM 502 CA ALA A 35 -10.231 -13.198 2.145 1.00 0.00 C ATOM 503 C ALA A 35 -10.524 -13.252 0.650 1.00 0.00 C ATOM 504 O ALA A 35 -11.043 -14.247 0.143 1.00 0.00 O ATOM 505 CB ALA A 35 -10.951 -12.020 2.784 1.00 0.00 C ATOM 0 H ALA A 35 -8.507 -12.271 2.896 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.598 -14.121 2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.020 -12.097 2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.778 -12.028 3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.571 -11.089 2.363 1.00 0.00 H new ATOM 511 N THR A 36 -10.188 -12.174 -0.053 1.00 0.00 N ATOM 512 CA THR A 36 -10.417 -12.098 -1.491 1.00 0.00 C ATOM 513 C THR A 36 -10.075 -13.418 -2.173 1.00 0.00 C ATOM 514 O THR A 36 -10.597 -13.727 -3.244 1.00 0.00 O ATOM 515 CB THR A 36 -9.586 -10.971 -2.132 1.00 0.00 C ATOM 516 OG1 THR A 36 -9.951 -10.816 -3.508 1.00 0.00 O ATOM 517 CG2 THR A 36 -8.098 -11.269 -2.028 1.00 0.00 C ATOM 0 H THR A 36 -9.757 -11.342 0.350 1.00 0.00 H new ATOM 0 HA THR A 36 -11.476 -11.884 -1.632 1.00 0.00 H new ATOM 0 HB THR A 36 -9.793 -10.046 -1.594 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.419 -10.097 -3.908 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.532 -10.459 -2.488 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.817 -11.358 -0.979 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.877 -12.204 -2.543 1.00 0.00 H new ATOM 525 N SER A 37 -9.196 -14.192 -1.546 1.00 0.00 N ATOM 526 CA SER A 37 -8.782 -15.478 -2.094 1.00 0.00 C ATOM 527 C SER A 37 -9.828 -16.552 -1.810 1.00 0.00 C ATOM 528 O SER A 37 -10.450 -16.583 -0.749 1.00 0.00 O ATOM 529 CB SER A 37 -7.432 -15.897 -1.507 1.00 0.00 C ATOM 530 OG SER A 37 -6.419 -14.965 -1.844 1.00 0.00 O ATOM 0 H SER A 37 -8.756 -13.951 -0.658 1.00 0.00 H new ATOM 0 HA SER A 37 -8.682 -15.369 -3.174 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.512 -15.976 -0.423 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.161 -16.885 -1.879 1.00 0.00 H new ATOM 0 HG SER A 37 -6.495 -14.177 -1.267 1.00 0.00 H new ATOM 536 N PRO A 38 -10.026 -17.455 -2.782 1.00 0.00 N ATOM 537 CA PRO A 38 -10.996 -18.548 -2.661 1.00 0.00 C ATOM 538 C PRO A 38 -10.564 -19.596 -1.642 1.00 0.00 C ATOM 539 O PRO A 38 -11.395 -20.175 -0.942 1.00 0.00 O ATOM 540 CB PRO A 38 -11.027 -19.151 -4.068 1.00 0.00 C ATOM 541 CG PRO A 38 -9.701 -18.812 -4.655 1.00 0.00 C ATOM 542 CD PRO A 38 -9.320 -17.478 -4.074 1.00 0.00 C ATOM 0 HA PRO A 38 -11.966 -18.195 -2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.180 -20.230 -4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.841 -18.732 -4.660 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.959 -19.571 -4.408 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.757 -18.763 -5.742 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.241 -17.389 -3.944 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.632 -16.655 -4.717 1.00 0.00 H new ATOM 550 N ARG A 39 -9.259 -19.834 -1.562 1.00 0.00 N ATOM 551 CA ARG A 39 -8.717 -20.813 -0.627 1.00 0.00 C ATOM 552 C ARG A 39 -8.237 -20.136 0.653 1.00 0.00 C ATOM 553 O ARG A 39 -7.596 -20.762 1.496 1.00 0.00 O ATOM 554 CB ARG A 39 -7.563 -21.582 -1.274 1.00 0.00 C ATOM 555 CG ARG A 39 -7.861 -22.054 -2.687 1.00 0.00 C ATOM 556 CD ARG A 39 -6.593 -22.154 -3.521 1.00 0.00 C ATOM 557 NE ARG A 39 -5.942 -20.857 -3.684 1.00 0.00 N ATOM 558 CZ ARG A 39 -5.191 -20.539 -4.732 1.00 0.00 C ATOM 559 NH1 ARG A 39 -4.998 -21.418 -5.706 1.00 0.00 N ATOM 560 NH2 ARG A 39 -4.631 -19.338 -4.809 1.00 0.00 N ATOM 0 H ARG A 39 -8.558 -19.363 -2.133 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.513 -21.512 -0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.678 -20.945 -1.292 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.321 -22.446 -0.655 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.351 -23.027 -2.651 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.557 -21.364 -3.163 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.901 -22.850 -3.047 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.835 -22.564 -4.502 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.071 -20.157 -2.953 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.427 -22.342 -5.652 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.421 -21.170 -6.509 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.777 -18.658 -4.063 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.054 -19.095 -5.614 1.00 0.00 H new ATOM 574 N GLY A 40 -8.551 -18.851 0.790 1.00 0.00 N ATOM 575 CA GLY A 40 -8.144 -18.110 1.969 1.00 0.00 C ATOM 576 C GLY A 40 -6.650 -17.859 2.009 1.00 0.00 C ATOM 577 O GLY A 40 -6.107 -17.469 3.042 1.00 0.00 O ATOM 0 H GLY A 40 -9.080 -18.311 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.670 -17.156 1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.441 -18.661 2.861 1.00 0.00 H new ATOM 581 N GLU A 41 -5.983 -18.085 0.881 1.00 0.00 N ATOM 582 CA GLU A 41 -4.541 -17.884 0.793 1.00 0.00 C ATOM 583 C GLU A 41 -4.193 -16.937 -0.352 1.00 0.00 C ATOM 584 O GLU A 41 -4.474 -17.206 -1.520 1.00 0.00 O ATOM 585 CB GLU A 41 -3.828 -19.223 0.598 1.00 0.00 C ATOM 586 CG GLU A 41 -4.339 -20.017 -0.593 1.00 0.00 C ATOM 587 CD GLU A 41 -3.242 -20.804 -1.283 1.00 0.00 C ATOM 588 OE1 GLU A 41 -2.060 -20.432 -1.131 1.00 0.00 O ATOM 589 OE2 GLU A 41 -3.566 -21.792 -1.976 1.00 0.00 O ATOM 0 H GLU A 41 -6.418 -18.407 0.016 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.204 -17.435 1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.761 -19.042 0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.945 -19.822 1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.119 -20.702 -0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.798 -19.336 -1.309 1.00 0.00 H new ATOM 596 N PRO A 42 -3.567 -15.801 -0.011 1.00 0.00 N ATOM 597 CA PRO A 42 -3.167 -14.792 -0.996 1.00 0.00 C ATOM 598 C PRO A 42 -2.024 -15.270 -1.885 1.00 0.00 C ATOM 599 O PRO A 42 -1.243 -16.137 -1.493 1.00 0.00 O ATOM 600 CB PRO A 42 -2.714 -13.613 -0.130 1.00 0.00 C ATOM 601 CG PRO A 42 -2.300 -14.228 1.162 1.00 0.00 C ATOM 602 CD PRO A 42 -3.201 -15.415 1.362 1.00 0.00 C ATOM 0 HA PRO A 42 -3.978 -14.549 -1.683 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.888 -13.075 -0.595 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.521 -12.895 0.014 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.254 -14.533 1.132 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.402 -13.518 1.983 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.690 -16.224 1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.079 -15.158 1.955 1.00 0.00 H new ATOM 610 N GLN A 43 -1.933 -14.699 -3.081 1.00 0.00 N ATOM 611 CA GLN A 43 -0.884 -15.068 -4.025 1.00 0.00 C ATOM 612 C GLN A 43 0.354 -14.199 -3.832 1.00 0.00 C ATOM 613 O GLN A 43 0.248 -13.003 -3.560 1.00 0.00 O ATOM 614 CB GLN A 43 -1.394 -14.938 -5.462 1.00 0.00 C ATOM 615 CG GLN A 43 -2.509 -15.914 -5.802 1.00 0.00 C ATOM 616 CD GLN A 43 -3.887 -15.345 -5.525 1.00 0.00 C ATOM 617 OE1 GLN A 43 -4.618 -15.847 -4.671 1.00 0.00 O ATOM 618 NE2 GLN A 43 -4.249 -14.291 -6.247 1.00 0.00 N ATOM 0 H GLN A 43 -2.572 -13.980 -3.420 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.609 -16.106 -3.836 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.752 -13.921 -5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.563 -15.095 -6.149 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.438 -16.188 -6.855 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.375 -16.829 -5.224 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.611 -13.907 -6.944 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -5.165 -13.865 -6.104 1.00 0.00 H new ATOM 627 N ASP A 44 1.526 -14.808 -3.973 1.00 0.00 N ATOM 628 CA ASP A 44 2.785 -14.089 -3.815 1.00 0.00 C ATOM 629 C ASP A 44 2.844 -12.884 -4.748 1.00 0.00 C ATOM 630 O ASP A 44 2.562 -12.996 -5.941 1.00 0.00 O ATOM 631 CB ASP A 44 3.966 -15.020 -4.088 1.00 0.00 C ATOM 632 CG ASP A 44 5.294 -14.288 -4.085 1.00 0.00 C ATOM 633 OD1 ASP A 44 5.373 -13.202 -4.697 1.00 0.00 O ATOM 634 OD2 ASP A 44 6.254 -14.801 -3.473 1.00 0.00 O ATOM 0 H ASP A 44 1.631 -15.798 -4.196 1.00 0.00 H new ATOM 0 HA ASP A 44 2.844 -13.732 -2.787 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.987 -15.807 -3.334 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.825 -15.507 -5.053 1.00 0.00 H new ATOM 639 N GLY A 45 3.212 -11.731 -4.197 1.00 0.00 N ATOM 640 CA GLY A 45 3.300 -10.522 -4.994 1.00 0.00 C ATOM 641 C GLY A 45 2.095 -9.620 -4.815 1.00 0.00 C ATOM 642 O GLY A 45 2.084 -8.484 -5.291 1.00 0.00 O ATOM 0 H GLY A 45 3.451 -11.613 -3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.203 -9.976 -4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.396 -10.790 -6.046 1.00 0.00 H new ATOM 646 N LEU A 46 1.077 -10.125 -4.127 1.00 0.00 N ATOM 647 CA LEU A 46 -0.140 -9.358 -3.887 1.00 0.00 C ATOM 648 C LEU A 46 0.183 -8.010 -3.249 1.00 0.00 C ATOM 649 O LEU A 46 0.551 -7.939 -2.077 1.00 0.00 O ATOM 650 CB LEU A 46 -1.094 -10.145 -2.987 1.00 0.00 C ATOM 651 CG LEU A 46 -2.579 -9.807 -3.123 1.00 0.00 C ATOM 652 CD1 LEU A 46 -3.047 -10.028 -4.553 1.00 0.00 C ATOM 653 CD2 LEU A 46 -3.406 -10.638 -2.154 1.00 0.00 C ATOM 0 H LEU A 46 1.070 -11.063 -3.725 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.622 -9.179 -4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.963 -11.207 -3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.799 -9.984 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.717 -8.754 -2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.106 -9.783 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.476 -9.388 -5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.895 -11.072 -4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.460 -10.384 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.263 -11.697 -2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.088 -10.429 -1.133 1.00 0.00 H new ATOM 665 N TYR A 47 0.041 -6.944 -4.029 1.00 0.00 N ATOM 666 CA TYR A 47 0.318 -5.598 -3.541 1.00 0.00 C ATOM 667 C TYR A 47 -0.939 -4.735 -3.580 1.00 0.00 C ATOM 668 O TYR A 47 -1.903 -5.054 -4.277 1.00 0.00 O ATOM 669 CB TYR A 47 1.423 -4.948 -4.374 1.00 0.00 C ATOM 670 CG TYR A 47 1.017 -4.664 -5.803 1.00 0.00 C ATOM 671 CD1 TYR A 47 1.131 -5.639 -6.785 1.00 0.00 C ATOM 672 CD2 TYR A 47 0.517 -3.420 -6.169 1.00 0.00 C ATOM 673 CE1 TYR A 47 0.761 -5.384 -8.092 1.00 0.00 C ATOM 674 CE2 TYR A 47 0.144 -3.156 -7.473 1.00 0.00 C ATOM 675 CZ TYR A 47 0.268 -4.141 -8.430 1.00 0.00 C ATOM 676 OH TYR A 47 -0.103 -3.883 -9.730 1.00 0.00 O ATOM 0 H TYR A 47 -0.264 -6.986 -5.001 1.00 0.00 H new ATOM 0 HA TYR A 47 0.651 -5.676 -2.506 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.724 -4.015 -3.898 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.296 -5.600 -4.376 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.515 -6.614 -6.523 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.418 -2.647 -5.422 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.857 -6.153 -8.844 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.242 -2.184 -7.741 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.430 -2.962 -9.800 1.00 0.00 H new ATOM 686 N CYS A 48 -0.921 -3.640 -2.828 1.00 0.00 N ATOM 687 CA CYS A 48 -2.059 -2.729 -2.775 1.00 0.00 C ATOM 688 C CYS A 48 -1.634 -1.357 -2.263 1.00 0.00 C ATOM 689 O CYS A 48 -0.449 -1.106 -2.042 1.00 0.00 O ATOM 690 CB CYS A 48 -3.158 -3.304 -1.880 1.00 0.00 C ATOM 691 SG CYS A 48 -2.984 -2.877 -0.132 1.00 0.00 S ATOM 0 H CYS A 48 -0.131 -3.361 -2.246 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.448 -2.614 -3.787 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.125 -2.948 -2.236 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.162 -4.389 -1.979 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.960 -3.407 0.543 1.00 0.00 H new ATOM 697 N ILE A 49 -2.608 -0.473 -2.077 1.00 0.00 N ATOM 698 CA ILE A 49 -2.335 0.874 -1.591 1.00 0.00 C ATOM 699 C ILE A 49 -3.409 1.334 -0.612 1.00 0.00 C ATOM 700 O ILE A 49 -4.523 1.673 -1.011 1.00 0.00 O ATOM 701 CB ILE A 49 -2.247 1.883 -2.751 1.00 0.00 C ATOM 702 CG1 ILE A 49 -1.156 1.465 -3.739 1.00 0.00 C ATOM 703 CG2 ILE A 49 -1.976 3.282 -2.216 1.00 0.00 C ATOM 704 CD1 ILE A 49 -1.200 2.226 -5.045 1.00 0.00 C ATOM 0 H ILE A 49 -3.594 -0.665 -2.256 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.373 0.836 -1.079 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.202 1.894 -3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.181 1.612 -3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.253 0.399 -3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.916 3.984 -3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.784 3.579 -1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.033 3.286 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.398 1.878 -5.696 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.161 2.059 -5.531 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.072 3.291 -4.850 1.00 0.00 H new ATOM 716 N ARG A 50 -3.066 1.344 0.672 1.00 0.00 N ATOM 717 CA ARG A 50 -4.001 1.763 1.709 1.00 0.00 C ATOM 718 C ARG A 50 -3.697 3.185 2.173 1.00 0.00 C ATOM 719 O ARG A 50 -2.645 3.739 1.859 1.00 0.00 O ATOM 720 CB ARG A 50 -3.940 0.804 2.899 1.00 0.00 C ATOM 721 CG ARG A 50 -2.725 1.012 3.788 1.00 0.00 C ATOM 722 CD ARG A 50 -2.816 0.184 5.060 1.00 0.00 C ATOM 723 NE ARG A 50 -2.131 0.823 6.180 1.00 0.00 N ATOM 724 CZ ARG A 50 -0.819 0.753 6.375 1.00 0.00 C ATOM 725 NH1 ARG A 50 -0.054 0.076 5.529 1.00 0.00 N ATOM 726 NH2 ARG A 50 -0.268 1.361 7.418 1.00 0.00 N ATOM 0 H ARG A 50 -2.148 1.067 1.019 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.005 1.743 1.286 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.843 0.924 3.498 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.937 -0.221 2.529 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.822 0.742 3.241 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.638 2.068 4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.864 0.029 5.317 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.382 -0.800 4.884 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.690 1.352 6.849 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.473 -0.393 4.726 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.953 0.024 5.682 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.852 1.883 8.071 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.740 1.306 7.566 1.00 0.00 H new ATOM 740 N ASN A 51 -4.627 3.769 2.921 1.00 0.00 N ATOM 741 CA ASN A 51 -4.459 5.127 3.427 1.00 0.00 C ATOM 742 C ASN A 51 -3.473 5.156 4.591 1.00 0.00 C ATOM 743 O ASN A 51 -3.372 4.197 5.356 1.00 0.00 O ATOM 744 CB ASN A 51 -5.807 5.698 3.873 1.00 0.00 C ATOM 745 CG ASN A 51 -6.546 6.387 2.741 1.00 0.00 C ATOM 746 OD1 ASN A 51 -6.654 7.613 2.712 1.00 0.00 O ATOM 747 ND2 ASN A 51 -7.058 5.599 1.803 1.00 0.00 N ATOM 0 H ASN A 51 -5.504 3.324 3.190 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.060 5.742 2.620 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.426 4.894 4.271 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.647 6.408 4.684 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.566 6.005 1.017 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.944 4.588 1.868 1.00 0.00 H new ATOM 830 N LYS A 58 -0.380 7.832 1.413 1.00 0.00 N ATOM 831 CA LYS A 58 -0.630 6.439 1.062 1.00 0.00 C ATOM 832 C LYS A 58 0.569 5.565 1.412 1.00 0.00 C ATOM 833 O LYS A 58 1.710 6.026 1.403 1.00 0.00 O ATOM 834 CB LYS A 58 -0.945 6.317 -0.431 1.00 0.00 C ATOM 835 CG LYS A 58 -2.324 6.830 -0.806 1.00 0.00 C ATOM 836 CD LYS A 58 -3.412 5.843 -0.417 1.00 0.00 C ATOM 837 CE LYS A 58 -4.604 5.929 -1.357 1.00 0.00 C ATOM 838 NZ LYS A 58 -5.283 7.252 -1.273 1.00 0.00 N ATOM 0 HA LYS A 58 -1.488 6.094 1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.195 6.868 -0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.863 5.271 -0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.504 7.785 -0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.365 7.014 -1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.008 4.831 -0.431 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.737 6.042 0.604 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.272 5.755 -2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.315 5.140 -1.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.090 7.270 -1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.622 7.407 -0.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.612 8.004 -1.529 1.00 0.00 H new ATOM 852 N VAL A 59 0.304 4.299 1.720 1.00 0.00 N ATOM 853 CA VAL A 59 1.362 3.360 2.071 1.00 0.00 C ATOM 854 C VAL A 59 1.255 2.080 1.250 1.00 0.00 C ATOM 855 O VAL A 59 0.325 1.292 1.425 1.00 0.00 O ATOM 856 CB VAL A 59 1.320 3.001 3.569 1.00 0.00 C ATOM 857 CG1 VAL A 59 2.401 1.985 3.905 1.00 0.00 C ATOM 858 CG2 VAL A 59 1.468 4.252 4.421 1.00 0.00 C ATOM 0 H VAL A 59 -0.635 3.901 1.733 1.00 0.00 H new ATOM 0 HA VAL A 59 2.309 3.853 1.849 1.00 0.00 H new ATOM 0 HB VAL A 59 0.352 2.552 3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.356 1.744 4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.243 1.079 3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.379 2.403 3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.436 3.980 5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.421 4.733 4.199 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.653 4.942 4.200 1.00 0.00 H new ATOM 868 N LEU A 60 2.214 1.878 0.353 1.00 0.00 N ATOM 869 CA LEU A 60 2.229 0.692 -0.497 1.00 0.00 C ATOM 870 C LEU A 60 2.474 -0.566 0.329 1.00 0.00 C ATOM 871 O LEU A 60 3.544 -0.740 0.913 1.00 0.00 O ATOM 872 CB LEU A 60 3.306 0.827 -1.575 1.00 0.00 C ATOM 873 CG LEU A 60 3.794 -0.479 -2.203 1.00 0.00 C ATOM 874 CD1 LEU A 60 2.761 -1.021 -3.178 1.00 0.00 C ATOM 875 CD2 LEU A 60 5.130 -0.269 -2.901 1.00 0.00 C ATOM 0 H LEU A 60 2.991 2.520 0.195 1.00 0.00 H new ATOM 0 HA LEU A 60 1.254 0.605 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.919 1.466 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.164 1.341 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 60 3.933 -1.212 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.126 -1.951 -3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.826 -1.210 -2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.589 -0.291 -3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.462 -1.209 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.017 0.480 -3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.869 0.073 -2.177 1.00 0.00 H new ATOM 887 N VAL A 61 1.477 -1.444 0.371 1.00 0.00 N ATOM 888 CA VAL A 61 1.585 -2.689 1.122 1.00 0.00 C ATOM 889 C VAL A 61 1.668 -3.890 0.187 1.00 0.00 C ATOM 890 O VAL A 61 0.840 -4.050 -0.710 1.00 0.00 O ATOM 891 CB VAL A 61 0.389 -2.876 2.075 1.00 0.00 C ATOM 892 CG1 VAL A 61 0.348 -4.300 2.608 1.00 0.00 C ATOM 893 CG2 VAL A 61 0.457 -1.873 3.217 1.00 0.00 C ATOM 0 H VAL A 61 0.585 -1.316 -0.107 1.00 0.00 H new ATOM 0 HA VAL A 61 2.501 -2.625 1.709 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.530 -2.696 1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.503 -4.413 3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.249 -4.997 1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.269 -4.512 3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.395 -2.019 3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.381 -2.020 3.776 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.434 -0.861 2.814 1.00 0.00 H new ATOM 903 N VAL A 62 2.673 -4.733 0.402 1.00 0.00 N ATOM 904 CA VAL A 62 2.864 -5.921 -0.421 1.00 0.00 C ATOM 905 C VAL A 62 2.796 -7.190 0.422 1.00 0.00 C ATOM 906 O VAL A 62 3.109 -7.173 1.612 1.00 0.00 O ATOM 907 CB VAL A 62 4.214 -5.881 -1.160 1.00 0.00 C ATOM 908 CG1 VAL A 62 4.257 -6.939 -2.252 1.00 0.00 C ATOM 909 CG2 VAL A 62 4.464 -4.496 -1.739 1.00 0.00 C ATOM 0 H VAL A 62 3.368 -4.615 1.140 1.00 0.00 H new ATOM 0 HA VAL A 62 2.057 -5.931 -1.154 1.00 0.00 H new ATOM 0 HB VAL A 62 5.006 -6.099 -0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.219 -6.895 -2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.127 -7.926 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.457 -6.755 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.423 -4.486 -2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.669 -4.246 -2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.480 -3.762 -0.933 1.00 0.00 H new ATOM 919 N TRP A 63 2.386 -8.287 -0.203 1.00 0.00 N ATOM 920 CA TRP A 63 2.277 -9.566 0.490 1.00 0.00 C ATOM 921 C TRP A 63 3.543 -10.395 0.304 1.00 0.00 C ATOM 922 O TRP A 63 3.975 -10.642 -0.822 1.00 0.00 O ATOM 923 CB TRP A 63 1.064 -10.344 -0.021 1.00 0.00 C ATOM 924 CG TRP A 63 1.037 -11.771 0.439 1.00 0.00 C ATOM 925 CD1 TRP A 63 1.250 -12.882 -0.324 1.00 0.00 C ATOM 926 CD2 TRP A 63 0.779 -12.238 1.768 1.00 0.00 C ATOM 927 NE1 TRP A 63 1.141 -14.013 0.450 1.00 0.00 N ATOM 928 CE2 TRP A 63 0.854 -13.644 1.737 1.00 0.00 C ATOM 929 CE3 TRP A 63 0.495 -11.605 2.981 1.00 0.00 C ATOM 930 CZ2 TRP A 63 0.653 -14.425 2.872 1.00 0.00 C ATOM 931 CZ3 TRP A 63 0.296 -12.381 4.107 1.00 0.00 C ATOM 932 CH2 TRP A 63 0.377 -13.779 4.047 1.00 0.00 C ATOM 0 H TRP A 63 2.123 -8.317 -1.188 1.00 0.00 H new ATOM 0 HA TRP A 63 2.149 -9.365 1.554 1.00 0.00 H new ATOM 0 HB2 TRP A 63 0.154 -9.845 0.313 1.00 0.00 H new ATOM 0 HB3 TRP A 63 1.059 -10.321 -1.111 1.00 0.00 H new ATOM 0 HD1 TRP A 63 1.472 -12.874 -1.381 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.255 -14.971 0.119 1.00 0.00 H new ATOM 0 HE3 TRP A 63 0.432 -10.528 3.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 0.713 -15.502 2.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 0.074 -11.902 5.049 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.219 -14.358 4.945 1.00 0.00 H new ATOM 943 N ASP A 64 4.134 -10.821 1.415 1.00 0.00 N ATOM 944 CA ASP A 64 5.351 -11.623 1.374 1.00 0.00 C ATOM 945 C ASP A 64 5.032 -13.104 1.554 1.00 0.00 C ATOM 946 O ASP A 64 5.047 -13.621 2.671 1.00 0.00 O ATOM 947 CB ASP A 64 6.327 -11.164 2.459 1.00 0.00 C ATOM 948 CG ASP A 64 7.707 -11.768 2.289 1.00 0.00 C ATOM 949 OD1 ASP A 64 8.073 -12.101 1.142 1.00 0.00 O ATOM 950 OD2 ASP A 64 8.422 -11.908 3.303 1.00 0.00 O ATOM 0 H ASP A 64 3.790 -10.624 2.355 1.00 0.00 H new ATOM 0 HA ASP A 64 5.814 -11.485 0.397 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.404 -10.077 2.438 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.932 -11.437 3.438 1.00 0.00 H new ATOM 955 N GLU A 65 4.742 -13.781 0.447 1.00 0.00 N ATOM 956 CA GLU A 65 4.417 -15.202 0.483 1.00 0.00 C ATOM 957 C GLU A 65 5.518 -15.994 1.182 1.00 0.00 C ATOM 958 O GLU A 65 5.267 -17.050 1.763 1.00 0.00 O ATOM 959 CB GLU A 65 4.210 -15.737 -0.935 1.00 0.00 C ATOM 960 CG GLU A 65 3.564 -17.112 -0.978 1.00 0.00 C ATOM 961 CD GLU A 65 2.050 -17.043 -1.041 1.00 0.00 C ATOM 962 OE1 GLU A 65 1.525 -16.109 -1.682 1.00 0.00 O ATOM 963 OE2 GLU A 65 1.391 -17.924 -0.450 1.00 0.00 O ATOM 0 H GLU A 65 4.726 -13.368 -0.486 1.00 0.00 H new ATOM 0 HA GLU A 65 3.492 -15.323 1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.589 -15.035 -1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.174 -15.782 -1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.936 -17.657 -1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.862 -17.677 -0.095 1.00 0.00 H new ATOM 970 N THR A 66 6.741 -15.476 1.120 1.00 0.00 N ATOM 971 CA THR A 66 7.882 -16.135 1.745 1.00 0.00 C ATOM 972 C THR A 66 7.745 -16.150 3.263 1.00 0.00 C ATOM 973 O THR A 66 8.174 -17.095 3.925 1.00 0.00 O ATOM 974 CB THR A 66 9.205 -15.443 1.367 1.00 0.00 C ATOM 975 OG1 THR A 66 9.239 -14.119 1.913 1.00 0.00 O ATOM 976 CG2 THR A 66 9.371 -15.378 -0.143 1.00 0.00 C ATOM 0 H THR A 66 6.967 -14.603 0.644 1.00 0.00 H new ATOM 0 HA THR A 66 7.897 -17.160 1.375 1.00 0.00 H new ATOM 0 HB THR A 66 10.026 -16.028 1.781 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.023 -13.470 1.211 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.313 -14.885 -0.385 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.375 -16.388 -0.552 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.545 -14.814 -0.576 1.00 0.00 H new ATOM 984 N SER A 67 7.143 -15.098 3.809 1.00 0.00 N ATOM 985 CA SER A 67 6.952 -14.990 5.251 1.00 0.00 C ATOM 986 C SER A 67 5.469 -14.893 5.596 1.00 0.00 C ATOM 987 O SER A 67 5.104 -14.581 6.729 1.00 0.00 O ATOM 988 CB SER A 67 7.695 -13.769 5.794 1.00 0.00 C ATOM 989 OG SER A 67 9.058 -14.069 6.042 1.00 0.00 O ATOM 0 H SER A 67 6.779 -14.309 3.275 1.00 0.00 H new ATOM 0 HA SER A 67 7.357 -15.889 5.716 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.624 -12.949 5.079 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.221 -13.431 6.715 1.00 0.00 H new ATOM 0 HG SER A 67 9.511 -13.271 6.387 1.00 0.00 H new ATOM 995 N ASN A 68 4.619 -15.164 4.611 1.00 0.00 N ATOM 996 CA ASN A 68 3.176 -15.107 4.809 1.00 0.00 C ATOM 997 C ASN A 68 2.791 -13.902 5.662 1.00 0.00 C ATOM 998 O ASN A 68 2.040 -14.026 6.630 1.00 0.00 O ATOM 999 CB ASN A 68 2.680 -16.394 5.471 1.00 0.00 C ATOM 1000 CG ASN A 68 1.171 -16.530 5.411 1.00 0.00 C ATOM 1001 OD1 ASN A 68 0.625 -17.093 4.461 1.00 0.00 O ATOM 1002 ND2 ASN A 68 0.489 -16.014 6.427 1.00 0.00 N ATOM 0 H ASN A 68 4.905 -15.425 3.667 1.00 0.00 H new ATOM 0 HA ASN A 68 2.704 -15.004 3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.139 -17.252 4.980 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.003 -16.412 6.512 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.529 -16.075 6.441 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.983 -15.556 7.193 1.00 0.00 H new ATOM 1009 N LYS A 69 3.311 -12.735 5.297 1.00 0.00 N ATOM 1010 CA LYS A 69 3.022 -11.506 6.026 1.00 0.00 C ATOM 1011 C LYS A 69 2.821 -10.338 5.066 1.00 0.00 C ATOM 1012 O LYS A 69 2.837 -10.513 3.847 1.00 0.00 O ATOM 1013 CB LYS A 69 4.157 -11.188 7.002 1.00 0.00 C ATOM 1014 CG LYS A 69 5.522 -11.100 6.340 1.00 0.00 C ATOM 1015 CD LYS A 69 6.527 -10.385 7.226 1.00 0.00 C ATOM 1016 CE LYS A 69 6.833 -11.187 8.482 1.00 0.00 C ATOM 1017 NZ LYS A 69 8.197 -10.899 9.006 1.00 0.00 N ATOM 0 H LYS A 69 3.936 -12.615 4.500 1.00 0.00 H new ATOM 0 HA LYS A 69 2.100 -11.655 6.587 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.942 -10.242 7.500 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.186 -11.956 7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.883 -12.103 6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.433 -10.573 5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.448 -10.214 6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.137 -9.406 7.504 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.093 -10.957 9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.745 -12.251 8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.367 -11.465 9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.905 -11.142 8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.273 -9.888 9.239 1.00 0.00 H new ATOM 1031 N VAL A 70 2.633 -9.145 5.623 1.00 0.00 N ATOM 1032 CA VAL A 70 2.431 -7.948 4.815 1.00 0.00 C ATOM 1033 C VAL A 70 3.512 -6.909 5.094 1.00 0.00 C ATOM 1034 O VAL A 70 3.958 -6.752 6.231 1.00 0.00 O ATOM 1035 CB VAL A 70 1.050 -7.319 5.079 1.00 0.00 C ATOM 1036 CG1 VAL A 70 -0.059 -8.267 4.648 1.00 0.00 C ATOM 1037 CG2 VAL A 70 0.905 -6.948 6.547 1.00 0.00 C ATOM 0 H VAL A 70 2.616 -8.982 6.630 1.00 0.00 H new ATOM 0 HA VAL A 70 2.488 -8.257 3.771 1.00 0.00 H new ATOM 0 HB VAL A 70 0.966 -6.407 4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.028 -7.806 4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.036 -8.478 3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.019 -9.198 5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.077 -6.505 6.715 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.009 -7.843 7.160 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.679 -6.230 6.819 1.00 0.00 H new ATOM 1047 N ARG A 71 3.928 -6.202 4.049 1.00 0.00 N ATOM 1048 CA ARG A 71 4.957 -5.177 4.181 1.00 0.00 C ATOM 1049 C ARG A 71 4.354 -3.781 4.057 1.00 0.00 C ATOM 1050 O ARG A 71 3.253 -3.614 3.534 1.00 0.00 O ATOM 1051 CB ARG A 71 6.041 -5.373 3.119 1.00 0.00 C ATOM 1052 CG ARG A 71 6.672 -6.755 3.139 1.00 0.00 C ATOM 1053 CD ARG A 71 7.776 -6.848 4.180 1.00 0.00 C ATOM 1054 NE ARG A 71 8.877 -5.934 3.893 1.00 0.00 N ATOM 1055 CZ ARG A 71 8.955 -4.700 4.381 1.00 0.00 C ATOM 1056 NH1 ARG A 71 8.000 -4.237 5.176 1.00 0.00 N ATOM 1057 NH2 ARG A 71 9.989 -3.928 4.073 1.00 0.00 N ATOM 0 H ARG A 71 3.569 -6.320 3.102 1.00 0.00 H new ATOM 0 HA ARG A 71 5.405 -5.273 5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.609 -5.195 2.134 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.820 -4.625 3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.907 -7.502 3.350 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.079 -6.985 2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.366 -6.623 5.165 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.154 -7.870 4.218 1.00 0.00 H new ATOM 0 HE ARG A 71 9.628 -6.260 3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.204 -4.828 5.414 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.062 -3.290 5.549 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.725 -4.281 3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.048 -2.981 4.448 1.00 0.00 H new ATOM 1071 N ASN A 72 5.083 -2.782 4.543 1.00 0.00 N ATOM 1072 CA ASN A 72 4.620 -1.400 4.488 1.00 0.00 C ATOM 1073 C ASN A 72 5.637 -0.513 3.776 1.00 0.00 C ATOM 1074 O ASN A 72 6.819 -0.508 4.119 1.00 0.00 O ATOM 1075 CB ASN A 72 4.363 -0.870 5.900 1.00 0.00 C ATOM 1076 CG ASN A 72 5.266 -1.516 6.933 1.00 0.00 C ATOM 1077 OD1 ASN A 72 6.383 -1.059 7.171 1.00 0.00 O ATOM 1078 ND2 ASN A 72 4.782 -2.587 7.553 1.00 0.00 N ATOM 0 H ASN A 72 5.997 -2.903 4.979 1.00 0.00 H new ATOM 0 HA ASN A 72 3.688 -1.377 3.924 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.514 0.209 5.913 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.322 -1.049 6.169 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.343 -3.065 8.258 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.850 -2.931 7.324 1.00 0.00 H new ATOM 1085 N TYR A 73 5.168 0.236 2.784 1.00 0.00 N ATOM 1086 CA TYR A 73 6.037 1.126 2.023 1.00 0.00 C ATOM 1087 C TYR A 73 5.430 2.522 1.920 1.00 0.00 C ATOM 1088 O TYR A 73 4.639 2.802 1.019 1.00 0.00 O ATOM 1089 CB TYR A 73 6.281 0.559 0.623 1.00 0.00 C ATOM 1090 CG TYR A 73 7.109 -0.706 0.618 1.00 0.00 C ATOM 1091 CD1 TYR A 73 6.526 -1.943 0.863 1.00 0.00 C ATOM 1092 CD2 TYR A 73 8.475 -0.664 0.368 1.00 0.00 C ATOM 1093 CE1 TYR A 73 7.279 -3.101 0.860 1.00 0.00 C ATOM 1094 CE2 TYR A 73 9.236 -1.817 0.362 1.00 0.00 C ATOM 1095 CZ TYR A 73 8.633 -3.033 0.608 1.00 0.00 C ATOM 1096 OH TYR A 73 9.388 -4.184 0.604 1.00 0.00 O ATOM 0 H TYR A 73 4.192 0.245 2.488 1.00 0.00 H new ATOM 0 HA TYR A 73 6.989 1.201 2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.320 0.356 0.150 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.782 1.314 0.017 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.466 -2.000 1.059 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.950 0.286 0.175 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.810 -4.054 1.054 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.297 -1.767 0.166 1.00 0.00 H new ATOM 0 HH TYR A 73 10.339 -3.952 0.656 1.00 0.00 H new ATOM 1106 N ARG A 74 5.808 3.394 2.849 1.00 0.00 N ATOM 1107 CA ARG A 74 5.302 4.761 2.865 1.00 0.00 C ATOM 1108 C ARG A 74 5.470 5.418 1.498 1.00 0.00 C ATOM 1109 O ARG A 74 6.544 5.359 0.898 1.00 0.00 O ATOM 1110 CB ARG A 74 6.027 5.583 3.931 1.00 0.00 C ATOM 1111 CG ARG A 74 5.433 6.967 4.142 1.00 0.00 C ATOM 1112 CD ARG A 74 5.964 7.614 5.411 1.00 0.00 C ATOM 1113 NE ARG A 74 5.359 8.921 5.653 1.00 0.00 N ATOM 1114 CZ ARG A 74 4.178 9.087 6.238 1.00 0.00 C ATOM 1115 NH1 ARG A 74 3.479 8.035 6.638 1.00 0.00 N ATOM 1116 NH2 ARG A 74 3.695 10.309 6.423 1.00 0.00 N ATOM 0 H ARG A 74 6.463 3.178 3.600 1.00 0.00 H new ATOM 0 HA ARG A 74 4.239 4.726 3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.004 5.039 4.875 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.075 5.686 3.648 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.667 7.599 3.285 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.347 6.893 4.197 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.767 6.960 6.261 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.046 7.723 5.337 1.00 0.00 H new ATOM 0 HE ARG A 74 5.871 9.752 5.357 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.847 7.094 6.497 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.572 8.166 7.087 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.231 11.121 6.116 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.788 10.436 6.872 1.00 0.00 H new ATOM 1130 N ILE A 75 4.403 6.043 1.012 1.00 0.00 N ATOM 1131 CA ILE A 75 4.434 6.712 -0.282 1.00 0.00 C ATOM 1132 C ILE A 75 4.471 8.228 -0.118 1.00 0.00 C ATOM 1133 O ILE A 75 3.431 8.884 -0.068 1.00 0.00 O ATOM 1134 CB ILE A 75 3.214 6.331 -1.142 1.00 0.00 C ATOM 1135 CG1 ILE A 75 3.155 4.814 -1.338 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.269 7.042 -2.485 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.797 4.315 -1.781 1.00 0.00 C ATOM 0 H ILE A 75 3.506 6.100 1.495 1.00 0.00 H new ATOM 0 HA ILE A 75 5.342 6.381 -0.786 1.00 0.00 H new ATOM 0 HB ILE A 75 2.309 6.647 -0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.900 4.522 -2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.426 4.324 -0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.400 6.762 -3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.268 8.120 -2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.178 6.754 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.828 3.232 -1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.051 4.576 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.532 4.777 -2.732 1.00 0.00 H new ATOM 1149 N PHE A 76 5.678 8.778 -0.035 1.00 0.00 N ATOM 1150 CA PHE A 76 5.852 10.218 0.123 1.00 0.00 C ATOM 1151 C PHE A 76 5.408 10.960 -1.134 1.00 0.00 C ATOM 1152 O PHE A 76 5.099 10.345 -2.153 1.00 0.00 O ATOM 1153 CB PHE A 76 7.314 10.545 0.433 1.00 0.00 C ATOM 1154 CG PHE A 76 7.827 9.877 1.677 1.00 0.00 C ATOM 1155 CD1 PHE A 76 7.586 10.429 2.925 1.00 0.00 C ATOM 1156 CD2 PHE A 76 8.552 8.699 1.598 1.00 0.00 C ATOM 1157 CE1 PHE A 76 8.056 9.817 4.072 1.00 0.00 C ATOM 1158 CE2 PHE A 76 9.024 8.082 2.742 1.00 0.00 C ATOM 1159 CZ PHE A 76 8.777 8.643 3.980 1.00 0.00 C ATOM 0 H PHE A 76 6.549 8.249 -0.074 1.00 0.00 H new ATOM 0 HA PHE A 76 5.230 10.545 0.956 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.932 10.244 -0.413 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.422 11.624 0.539 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.024 11.348 3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.751 8.258 0.632 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.860 10.257 5.039 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.585 7.162 2.668 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.147 8.164 4.874 1.00 0.00 H new ATOM 1169 N GLU A 77 5.380 12.287 -1.051 1.00 0.00 N ATOM 1170 CA GLU A 77 4.973 13.114 -2.181 1.00 0.00 C ATOM 1171 C GLU A 77 5.928 14.289 -2.368 1.00 0.00 C ATOM 1172 O GLU A 77 5.766 15.341 -1.748 1.00 0.00 O ATOM 1173 CB GLU A 77 3.547 13.629 -1.977 1.00 0.00 C ATOM 1174 CG GLU A 77 2.962 14.304 -3.206 1.00 0.00 C ATOM 1175 CD GLU A 77 1.850 15.277 -2.863 1.00 0.00 C ATOM 1176 OE1 GLU A 77 2.094 16.197 -2.056 1.00 0.00 O ATOM 1177 OE2 GLU A 77 0.735 15.117 -3.404 1.00 0.00 O ATOM 0 H GLU A 77 5.634 12.811 -0.214 1.00 0.00 H new ATOM 0 HA GLU A 77 5.004 12.497 -3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.906 12.795 -1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.540 14.335 -1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.753 14.834 -3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.578 13.543 -3.885 1.00 0.00 H new ATOM 1184 N LYS A 78 6.925 14.103 -3.226 1.00 0.00 N ATOM 1185 CA LYS A 78 7.908 15.146 -3.496 1.00 0.00 C ATOM 1186 C LYS A 78 7.922 15.509 -4.978 1.00 0.00 C ATOM 1187 O LYS A 78 7.736 14.649 -5.839 1.00 0.00 O ATOM 1188 CB LYS A 78 9.301 14.689 -3.058 1.00 0.00 C ATOM 1189 CG LYS A 78 10.430 15.458 -3.723 1.00 0.00 C ATOM 1190 CD LYS A 78 11.771 15.146 -3.079 1.00 0.00 C ATOM 1191 CE LYS A 78 12.043 16.056 -1.891 1.00 0.00 C ATOM 1192 NZ LYS A 78 12.355 17.448 -2.318 1.00 0.00 N ATOM 0 H LYS A 78 7.074 13.239 -3.747 1.00 0.00 H new ATOM 0 HA LYS A 78 7.628 16.032 -2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.386 14.797 -1.977 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.414 13.628 -3.282 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.467 15.208 -4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.233 16.528 -3.655 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.786 14.106 -2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.566 15.261 -3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.174 16.064 -1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.877 15.658 -1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.823 17.953 -1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.986 17.424 -3.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.474 17.940 -2.569 1.00 0.00 H new ATOM 1206 N ASP A 79 8.147 16.786 -5.267 1.00 0.00 N ATOM 1207 CA ASP A 79 8.188 17.261 -6.645 1.00 0.00 C ATOM 1208 C ASP A 79 7.000 16.729 -7.440 1.00 0.00 C ATOM 1209 O ASP A 79 7.100 16.498 -8.645 1.00 0.00 O ATOM 1210 CB ASP A 79 9.497 16.837 -7.314 1.00 0.00 C ATOM 1211 CG ASP A 79 10.646 17.769 -6.980 1.00 0.00 C ATOM 1212 OD1 ASP A 79 10.691 18.269 -5.837 1.00 0.00 O ATOM 1213 OD2 ASP A 79 11.499 17.998 -7.863 1.00 0.00 O ATOM 0 H ASP A 79 8.304 17.510 -4.566 1.00 0.00 H new ATOM 0 HA ASP A 79 8.132 18.349 -6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.751 15.825 -7.000 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.357 16.810 -8.395 1.00 0.00 H new ATOM 1218 N SER A 80 5.877 16.534 -6.757 1.00 0.00 N ATOM 1219 CA SER A 80 4.671 16.023 -7.398 1.00 0.00 C ATOM 1220 C SER A 80 4.895 14.611 -7.930 1.00 0.00 C ATOM 1221 O SER A 80 4.376 14.242 -8.984 1.00 0.00 O ATOM 1222 CB SER A 80 4.244 16.949 -8.539 1.00 0.00 C ATOM 1223 OG SER A 80 2.855 16.836 -8.795 1.00 0.00 O ATOM 0 H SER A 80 5.777 16.722 -5.760 1.00 0.00 H new ATOM 0 HA SER A 80 3.878 15.989 -6.651 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.487 17.981 -8.285 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.804 16.702 -9.441 1.00 0.00 H new ATOM 0 HG SER A 80 2.607 17.439 -9.527 1.00 0.00 H new ATOM 1229 N LYS A 81 5.671 13.824 -7.193 1.00 0.00 N ATOM 1230 CA LYS A 81 5.964 12.451 -7.587 1.00 0.00 C ATOM 1231 C LYS A 81 6.009 11.534 -6.369 1.00 0.00 C ATOM 1232 O LYS A 81 6.599 11.874 -5.344 1.00 0.00 O ATOM 1233 CB LYS A 81 7.297 12.388 -8.336 1.00 0.00 C ATOM 1234 CG LYS A 81 7.403 13.388 -9.474 1.00 0.00 C ATOM 1235 CD LYS A 81 8.304 12.874 -10.585 1.00 0.00 C ATOM 1236 CE LYS A 81 8.593 13.957 -11.614 1.00 0.00 C ATOM 1237 NZ LYS A 81 9.733 13.591 -12.499 1.00 0.00 N ATOM 0 H LYS A 81 6.109 14.114 -6.319 1.00 0.00 H new ATOM 0 HA LYS A 81 5.167 12.110 -8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.109 12.565 -7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.434 11.382 -8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.410 13.592 -9.874 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.794 14.332 -9.095 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.241 12.516 -10.159 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.831 12.023 -11.074 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.703 14.129 -12.220 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.816 14.893 -11.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.898 14.354 -13.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.588 13.452 -11.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.510 12.711 -13.006 1.00 0.00 H new ATOM 1251 N PHE A 82 5.383 10.367 -6.490 1.00 0.00 N ATOM 1252 CA PHE A 82 5.352 9.400 -5.399 1.00 0.00 C ATOM 1253 C PHE A 82 6.695 8.686 -5.267 1.00 0.00 C ATOM 1254 O PHE A 82 7.158 8.034 -6.203 1.00 0.00 O ATOM 1255 CB PHE A 82 4.238 8.377 -5.628 1.00 0.00 C ATOM 1256 CG PHE A 82 2.927 8.996 -6.019 1.00 0.00 C ATOM 1257 CD1 PHE A 82 2.227 9.791 -5.126 1.00 0.00 C ATOM 1258 CD2 PHE A 82 2.394 8.783 -7.280 1.00 0.00 C ATOM 1259 CE1 PHE A 82 1.020 10.361 -5.483 1.00 0.00 C ATOM 1260 CE2 PHE A 82 1.187 9.351 -7.643 1.00 0.00 C ATOM 1261 CZ PHE A 82 0.500 10.142 -6.744 1.00 0.00 C ATOM 0 H PHE A 82 4.891 10.069 -7.332 1.00 0.00 H new ATOM 0 HA PHE A 82 5.155 9.940 -4.473 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.549 7.681 -6.407 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.098 7.794 -4.718 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.629 9.967 -4.139 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.928 8.166 -7.988 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.484 10.977 -4.777 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.782 9.176 -8.629 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.442 10.589 -7.026 1.00 0.00 H new ATOM 1271 N TYR A 83 7.314 8.816 -4.099 1.00 0.00 N ATOM 1272 CA TYR A 83 8.604 8.186 -3.844 1.00 0.00 C ATOM 1273 C TYR A 83 8.598 7.453 -2.506 1.00 0.00 C ATOM 1274 O TYR A 83 7.812 7.772 -1.613 1.00 0.00 O ATOM 1275 CB TYR A 83 9.718 9.234 -3.859 1.00 0.00 C ATOM 1276 CG TYR A 83 9.774 10.077 -2.606 1.00 0.00 C ATOM 1277 CD1 TYR A 83 10.458 9.638 -1.479 1.00 0.00 C ATOM 1278 CD2 TYR A 83 9.141 11.313 -2.547 1.00 0.00 C ATOM 1279 CE1 TYR A 83 10.511 10.404 -0.331 1.00 0.00 C ATOM 1280 CE2 TYR A 83 9.190 12.087 -1.404 1.00 0.00 C ATOM 1281 CZ TYR A 83 9.875 11.628 -0.298 1.00 0.00 C ATOM 1282 OH TYR A 83 9.925 12.395 0.843 1.00 0.00 O ATOM 0 H TYR A 83 6.944 9.352 -3.314 1.00 0.00 H new ATOM 0 HA TYR A 83 8.787 7.459 -4.635 1.00 0.00 H new ATOM 0 HB2 TYR A 83 10.676 8.731 -3.992 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.579 9.887 -4.720 1.00 0.00 H new ATOM 0 HD1 TYR A 83 10.957 8.681 -1.501 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.601 11.675 -3.410 1.00 0.00 H new ATOM 0 HE1 TYR A 83 11.047 10.047 0.536 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.695 13.046 -1.376 1.00 0.00 H new ATOM 0 HH TYR A 83 9.355 11.994 1.532 1.00 0.00 H new ATOM 1292 N LEU A 84 9.481 6.470 -2.374 1.00 0.00 N ATOM 1293 CA LEU A 84 9.580 5.690 -1.145 1.00 0.00 C ATOM 1294 C LEU A 84 10.945 5.876 -0.491 1.00 0.00 C ATOM 1295 O LEU A 84 11.056 5.919 0.734 1.00 0.00 O ATOM 1296 CB LEU A 84 9.339 4.208 -1.437 1.00 0.00 C ATOM 1297 CG LEU A 84 8.206 3.892 -2.414 1.00 0.00 C ATOM 1298 CD1 LEU A 84 8.075 2.390 -2.611 1.00 0.00 C ATOM 1299 CD2 LEU A 84 6.894 4.484 -1.919 1.00 0.00 C ATOM 0 H LEU A 84 10.139 6.194 -3.103 1.00 0.00 H new ATOM 0 HA LEU A 84 8.815 6.047 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.261 3.781 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.131 3.702 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 84 8.445 4.344 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.264 2.184 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.008 1.993 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.859 1.915 -1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.099 4.249 -2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.649 4.061 -0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.993 5.566 -1.831 1.00 0.00 H new ATOM 1311 N GLU A 85 11.981 5.987 -1.316 1.00 0.00 N ATOM 1312 CA GLU A 85 13.339 6.170 -0.817 1.00 0.00 C ATOM 1313 C GLU A 85 13.706 7.650 -0.767 1.00 0.00 C ATOM 1314 O GLU A 85 14.351 8.109 0.175 1.00 0.00 O ATOM 1315 CB GLU A 85 14.336 5.416 -1.699 1.00 0.00 C ATOM 1316 CG GLU A 85 14.266 5.805 -3.167 1.00 0.00 C ATOM 1317 CD GLU A 85 15.248 5.029 -4.023 1.00 0.00 C ATOM 1318 OE1 GLU A 85 16.459 5.325 -3.955 1.00 0.00 O ATOM 1319 OE2 GLU A 85 14.804 4.125 -4.762 1.00 0.00 O ATOM 0 H GLU A 85 11.906 5.953 -2.333 1.00 0.00 H new ATOM 0 HA GLU A 85 13.384 5.768 0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.345 5.600 -1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.153 4.345 -1.606 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.255 5.635 -3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 85 14.467 6.872 -3.266 1.00 0.00 H new ATOM 1326 N GLY A 86 13.289 8.393 -1.788 1.00 0.00 N ATOM 1327 CA GLY A 86 13.584 9.813 -1.842 1.00 0.00 C ATOM 1328 C GLY A 86 14.056 10.255 -3.213 1.00 0.00 C ATOM 1329 O GLY A 86 13.264 10.341 -4.151 1.00 0.00 O ATOM 0 H GLY A 86 12.752 8.037 -2.579 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.692 10.377 -1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.350 10.050 -1.103 1.00 0.00 H new ATOM 1333 N GLU A 87 15.349 10.539 -3.329 1.00 0.00 N ATOM 1334 CA GLU A 87 15.924 10.979 -4.595 1.00 0.00 C ATOM 1335 C GLU A 87 15.226 10.304 -5.772 1.00 0.00 C ATOM 1336 O GLU A 87 15.066 10.899 -6.838 1.00 0.00 O ATOM 1337 CB GLU A 87 17.423 10.673 -4.633 1.00 0.00 C ATOM 1338 CG GLU A 87 17.749 9.201 -4.449 1.00 0.00 C ATOM 1339 CD GLU A 87 19.230 8.909 -4.594 1.00 0.00 C ATOM 1340 OE1 GLU A 87 19.683 8.691 -5.736 1.00 0.00 O ATOM 1341 OE2 GLU A 87 19.935 8.898 -3.563 1.00 0.00 O ATOM 0 H GLU A 87 16.018 10.472 -2.562 1.00 0.00 H new ATOM 0 HA GLU A 87 15.778 12.056 -4.677 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.830 11.010 -5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.922 11.247 -3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.414 8.879 -3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.194 8.615 -5.182 1.00 0.00 H new ATOM 1348 N VAL A 88 14.813 9.056 -5.572 1.00 0.00 N ATOM 1349 CA VAL A 88 14.131 8.300 -6.615 1.00 0.00 C ATOM 1350 C VAL A 88 12.617 8.390 -6.461 1.00 0.00 C ATOM 1351 O VAL A 88 12.034 7.763 -5.576 1.00 0.00 O ATOM 1352 CB VAL A 88 14.550 6.817 -6.598 1.00 0.00 C ATOM 1353 CG1 VAL A 88 13.856 6.053 -7.715 1.00 0.00 C ATOM 1354 CG2 VAL A 88 16.062 6.690 -6.713 1.00 0.00 C ATOM 0 H VAL A 88 14.939 8.548 -4.697 1.00 0.00 H new ATOM 0 HA VAL A 88 14.423 8.743 -7.567 1.00 0.00 H new ATOM 0 HB VAL A 88 14.243 6.381 -5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.164 5.008 -7.687 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.776 6.116 -7.583 1.00 0.00 H new ATOM 0 HG13 VAL A 88 14.130 6.486 -8.677 1.00 0.00 H new ATOM 0 HG21 VAL A 88 16.341 5.636 -6.699 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.395 7.141 -7.648 1.00 0.00 H new ATOM 0 HG23 VAL A 88 16.535 7.201 -5.874 1.00 0.00 H new ATOM 1364 N LEU A 89 11.986 9.174 -7.327 1.00 0.00 N ATOM 1365 CA LEU A 89 10.538 9.348 -7.288 1.00 0.00 C ATOM 1366 C LEU A 89 9.895 8.851 -8.579 1.00 0.00 C ATOM 1367 O LEU A 89 10.586 8.423 -9.504 1.00 0.00 O ATOM 1368 CB LEU A 89 10.186 10.819 -7.063 1.00 0.00 C ATOM 1369 CG LEU A 89 11.155 11.614 -6.187 1.00 0.00 C ATOM 1370 CD1 LEU A 89 12.225 12.278 -7.040 1.00 0.00 C ATOM 1371 CD2 LEU A 89 10.403 12.653 -5.368 1.00 0.00 C ATOM 0 H LEU A 89 12.454 9.700 -8.065 1.00 0.00 H new ATOM 0 HA LEU A 89 10.149 8.757 -6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.120 11.309 -8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.195 10.870 -6.612 1.00 0.00 H new ATOM 0 HG LEU A 89 11.644 10.923 -5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.905 12.839 -6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.784 11.515 -7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.754 12.957 -7.751 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.108 13.209 -4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.886 13.340 -6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.675 12.155 -4.728 1.00 0.00 H new ATOM 1383 N PHE A 90 8.569 8.913 -8.636 1.00 0.00 N ATOM 1384 CA PHE A 90 7.832 8.471 -9.814 1.00 0.00 C ATOM 1385 C PHE A 90 6.645 9.389 -10.089 1.00 0.00 C ATOM 1386 O PHE A 90 5.707 9.464 -9.296 1.00 0.00 O ATOM 1387 CB PHE A 90 7.347 7.032 -9.628 1.00 0.00 C ATOM 1388 CG PHE A 90 8.461 6.042 -9.442 1.00 0.00 C ATOM 1389 CD1 PHE A 90 8.943 5.751 -8.177 1.00 0.00 C ATOM 1390 CD2 PHE A 90 9.026 5.403 -10.534 1.00 0.00 C ATOM 1391 CE1 PHE A 90 9.970 4.842 -8.003 1.00 0.00 C ATOM 1392 CE2 PHE A 90 10.053 4.492 -10.367 1.00 0.00 C ATOM 1393 CZ PHE A 90 10.524 4.210 -9.100 1.00 0.00 C ATOM 0 H PHE A 90 7.982 9.265 -7.880 1.00 0.00 H new ATOM 0 HA PHE A 90 8.506 8.512 -10.670 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.686 6.989 -8.763 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.755 6.742 -10.496 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.512 6.240 -7.316 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.660 5.619 -11.527 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.339 4.626 -7.011 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.486 4.002 -11.226 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.324 3.497 -8.967 1.00 0.00 H new ATOM 1403 N VAL A 91 6.693 10.087 -11.220 1.00 0.00 N ATOM 1404 CA VAL A 91 5.622 11.000 -11.601 1.00 0.00 C ATOM 1405 C VAL A 91 4.271 10.501 -11.102 1.00 0.00 C ATOM 1406 O VAL A 91 3.495 11.258 -10.519 1.00 0.00 O ATOM 1407 CB VAL A 91 5.558 11.181 -13.129 1.00 0.00 C ATOM 1408 CG1 VAL A 91 6.867 11.749 -13.656 1.00 0.00 C ATOM 1409 CG2 VAL A 91 5.228 9.861 -13.809 1.00 0.00 C ATOM 0 H VAL A 91 7.462 10.037 -11.888 1.00 0.00 H new ATOM 0 HA VAL A 91 5.844 11.961 -11.137 1.00 0.00 H new ATOM 0 HB VAL A 91 4.763 11.891 -13.359 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.802 11.870 -14.737 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.056 12.718 -13.193 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.683 11.067 -13.415 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.187 10.008 -14.888 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.998 9.127 -13.572 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.262 9.501 -13.455 1.00 0.00 H new ATOM 1419 N SER A 92 3.996 9.221 -11.335 1.00 0.00 N ATOM 1420 CA SER A 92 2.736 8.621 -10.911 1.00 0.00 C ATOM 1421 C SER A 92 2.939 7.166 -10.499 1.00 0.00 C ATOM 1422 O SER A 92 3.829 6.484 -11.005 1.00 0.00 O ATOM 1423 CB SER A 92 1.704 8.704 -12.037 1.00 0.00 C ATOM 1424 OG SER A 92 1.592 10.028 -12.530 1.00 0.00 O ATOM 0 H SER A 92 4.628 8.580 -11.815 1.00 0.00 H new ATOM 0 HA SER A 92 2.369 9.177 -10.048 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.991 8.034 -12.847 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.734 8.365 -11.672 1.00 0.00 H new ATOM 0 HG SER A 92 0.927 10.054 -13.250 1.00 0.00 H new ATOM 1430 N VAL A 93 2.106 6.698 -9.574 1.00 0.00 N ATOM 1431 CA VAL A 93 2.192 5.325 -9.093 1.00 0.00 C ATOM 1432 C VAL A 93 2.409 4.351 -10.245 1.00 0.00 C ATOM 1433 O VAL A 93 3.247 3.454 -10.165 1.00 0.00 O ATOM 1434 CB VAL A 93 0.921 4.919 -8.324 1.00 0.00 C ATOM 1435 CG1 VAL A 93 1.013 3.472 -7.866 1.00 0.00 C ATOM 1436 CG2 VAL A 93 0.695 5.848 -7.141 1.00 0.00 C ATOM 0 H VAL A 93 1.364 7.250 -9.143 1.00 0.00 H new ATOM 0 HA VAL A 93 3.046 5.280 -8.418 1.00 0.00 H new ATOM 0 HB VAL A 93 0.067 5.008 -8.995 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.106 3.203 -7.325 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.123 2.822 -8.734 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.876 3.352 -7.211 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.207 5.547 -6.609 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.550 5.793 -6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.581 6.871 -7.499 1.00 0.00 H new ATOM 1446 N GLY A 94 1.646 4.535 -11.319 1.00 0.00 N ATOM 1447 CA GLY A 94 1.770 3.665 -12.474 1.00 0.00 C ATOM 1448 C GLY A 94 3.215 3.388 -12.840 1.00 0.00 C ATOM 1449 O GLY A 94 3.664 2.243 -12.797 1.00 0.00 O ATOM 0 H GLY A 94 0.945 5.270 -11.409 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.263 2.722 -12.270 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.264 4.122 -13.325 1.00 0.00 H new ATOM 1453 N SER A 95 3.944 4.439 -13.201 1.00 0.00 N ATOM 1454 CA SER A 95 5.345 4.303 -13.581 1.00 0.00 C ATOM 1455 C SER A 95 6.135 3.579 -12.495 1.00 0.00 C ATOM 1456 O SER A 95 6.958 2.711 -12.784 1.00 0.00 O ATOM 1457 CB SER A 95 5.960 5.679 -13.843 1.00 0.00 C ATOM 1458 OG SER A 95 5.819 6.050 -15.204 1.00 0.00 O ATOM 0 H SER A 95 3.588 5.394 -13.238 1.00 0.00 H new ATOM 0 HA SER A 95 5.392 3.712 -14.495 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.478 6.423 -13.208 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.016 5.666 -13.574 1.00 0.00 H new ATOM 0 HG SER A 95 6.218 6.934 -15.345 1.00 0.00 H new ATOM 1464 N MET A 96 5.877 3.943 -11.243 1.00 0.00 N ATOM 1465 CA MET A 96 6.563 3.328 -10.112 1.00 0.00 C ATOM 1466 C MET A 96 6.396 1.812 -10.134 1.00 0.00 C ATOM 1467 O MET A 96 7.374 1.069 -10.053 1.00 0.00 O ATOM 1468 CB MET A 96 6.027 3.893 -8.795 1.00 0.00 C ATOM 1469 CG MET A 96 6.845 3.484 -7.581 1.00 0.00 C ATOM 1470 SD MET A 96 6.355 4.362 -6.085 1.00 0.00 S ATOM 1471 CE MET A 96 4.694 3.734 -5.852 1.00 0.00 C ATOM 0 H MET A 96 5.199 4.660 -10.986 1.00 0.00 H new ATOM 0 HA MET A 96 7.625 3.560 -10.193 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.005 4.981 -8.858 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.998 3.560 -8.658 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.737 2.411 -7.420 1.00 0.00 H new ATOM 0 HG3 MET A 96 7.900 3.672 -7.779 1.00 0.00 H new ATOM 0 HE1 MET A 96 4.335 4.013 -4.861 1.00 0.00 H new ATOM 0 HE2 MET A 96 4.035 4.158 -6.610 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.700 2.648 -5.943 1.00 0.00 H new ATOM 1481 N VAL A 97 5.151 1.360 -10.245 1.00 0.00 N ATOM 1482 CA VAL A 97 4.856 -0.068 -10.279 1.00 0.00 C ATOM 1483 C VAL A 97 5.672 -0.772 -11.356 1.00 0.00 C ATOM 1484 O VAL A 97 6.251 -1.831 -11.117 1.00 0.00 O ATOM 1485 CB VAL A 97 3.359 -0.326 -10.533 1.00 0.00 C ATOM 1486 CG1 VAL A 97 3.065 -1.818 -10.524 1.00 0.00 C ATOM 1487 CG2 VAL A 97 2.510 0.399 -9.499 1.00 0.00 C ATOM 0 H VAL A 97 4.330 1.962 -10.313 1.00 0.00 H new ATOM 0 HA VAL A 97 5.126 -0.470 -9.302 1.00 0.00 H new ATOM 0 HB VAL A 97 3.103 0.065 -11.518 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.003 -1.981 -10.705 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.645 -2.308 -11.306 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.336 -2.236 -9.555 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.455 0.205 -9.694 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.766 0.041 -8.502 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.699 1.471 -9.559 1.00 0.00 H new ATOM 1497 N GLU A 98 5.714 -0.176 -12.544 1.00 0.00 N ATOM 1498 CA GLU A 98 6.460 -0.747 -13.659 1.00 0.00 C ATOM 1499 C GLU A 98 7.953 -0.796 -13.347 1.00 0.00 C ATOM 1500 O GLU A 98 8.658 -1.712 -13.771 1.00 0.00 O ATOM 1501 CB GLU A 98 6.220 0.067 -14.932 1.00 0.00 C ATOM 1502 CG GLU A 98 4.828 0.670 -15.016 1.00 0.00 C ATOM 1503 CD GLU A 98 4.343 0.821 -16.445 1.00 0.00 C ATOM 1504 OE1 GLU A 98 3.771 -0.149 -16.984 1.00 0.00 O ATOM 1505 OE2 GLU A 98 4.535 1.911 -17.023 1.00 0.00 O ATOM 0 H GLU A 98 5.240 0.702 -12.759 1.00 0.00 H new ATOM 0 HA GLU A 98 6.106 -1.766 -13.816 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.957 0.868 -14.985 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.382 -0.574 -15.799 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.130 0.041 -14.464 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.829 1.646 -14.532 1.00 0.00 H new ATOM 1512 N HIS A 99 8.429 0.198 -12.603 1.00 0.00 N ATOM 1513 CA HIS A 99 9.838 0.269 -12.234 1.00 0.00 C ATOM 1514 C HIS A 99 10.208 -0.865 -11.283 1.00 0.00 C ATOM 1515 O HIS A 99 11.241 -1.515 -11.449 1.00 0.00 O ATOM 1516 CB HIS A 99 10.148 1.617 -11.583 1.00 0.00 C ATOM 1517 CG HIS A 99 11.398 1.610 -10.757 1.00 0.00 C ATOM 1518 ND1 HIS A 99 11.655 1.065 -9.545 1.00 0.00 N flip ATOM 1519 CD2 HIS A 99 12.569 2.218 -11.158 1.00 0.00 C flip ATOM 1520 CE1 HIS A 99 12.963 1.350 -9.239 1.00 0.00 C flip ATOM 1521 NE2 HIS A 99 13.492 2.046 -10.229 1.00 0.00 N flip ATOM 0 H HIS A 99 7.860 0.965 -12.244 1.00 0.00 H new ATOM 0 HA HIS A 99 10.432 0.167 -13.142 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.241 2.374 -12.361 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.308 1.909 -10.953 1.00 0.00 H new ATOM 0 HD1 HIS A 99 10.999 0.540 -8.966 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.709 2.751 -12.087 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.476 1.053 -8.336 1.00 0.00 H new ATOM 1530 N TYR A 100 9.360 -1.098 -10.288 1.00 0.00 N ATOM 1531 CA TYR A 100 9.600 -2.152 -9.310 1.00 0.00 C ATOM 1532 C TYR A 100 9.484 -3.530 -9.954 1.00 0.00 C ATOM 1533 O TYR A 100 10.223 -4.453 -9.610 1.00 0.00 O ATOM 1534 CB TYR A 100 8.611 -2.034 -8.149 1.00 0.00 C ATOM 1535 CG TYR A 100 8.856 -0.834 -7.263 1.00 0.00 C ATOM 1536 CD1 TYR A 100 10.145 -0.477 -6.885 1.00 0.00 C ATOM 1537 CD2 TYR A 100 7.800 -0.057 -6.803 1.00 0.00 C ATOM 1538 CE1 TYR A 100 10.374 0.618 -6.075 1.00 0.00 C ATOM 1539 CE2 TYR A 100 8.020 1.041 -5.994 1.00 0.00 C ATOM 1540 CZ TYR A 100 9.309 1.374 -5.633 1.00 0.00 C ATOM 1541 OH TYR A 100 9.532 2.467 -4.826 1.00 0.00 O ATOM 0 H TYR A 100 8.500 -0.571 -10.137 1.00 0.00 H new ATOM 0 HA TYR A 100 10.614 -2.034 -8.928 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.599 -1.978 -8.550 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.665 -2.939 -7.544 1.00 0.00 H new ATOM 0 HD1 TYR A 100 10.982 -1.066 -7.231 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.790 -0.316 -7.083 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.382 0.881 -5.789 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.188 1.635 -5.646 1.00 0.00 H new ATOM 0 HH TYR A 100 9.056 3.243 -5.188 1.00 0.00 H new ATOM 1551 N HIS A 101 8.551 -3.661 -10.891 1.00 0.00 N ATOM 1552 CA HIS A 101 8.338 -4.926 -11.586 1.00 0.00 C ATOM 1553 C HIS A 101 9.665 -5.631 -11.850 1.00 0.00 C ATOM 1554 O HIS A 101 9.741 -6.860 -11.838 1.00 0.00 O ATOM 1555 CB HIS A 101 7.602 -4.690 -12.905 1.00 0.00 C ATOM 1556 CG HIS A 101 6.111 -4.765 -12.780 1.00 0.00 C ATOM 1557 ND1 HIS A 101 5.280 -5.044 -13.845 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.303 -4.597 -11.708 1.00 0.00 C ATOM 1559 CE1 HIS A 101 4.025 -5.042 -13.433 1.00 0.00 C ATOM 1560 NE2 HIS A 101 4.011 -4.775 -12.139 1.00 0.00 N ATOM 0 H HIS A 101 7.930 -2.907 -11.187 1.00 0.00 H new ATOM 0 HA HIS A 101 7.728 -5.565 -10.947 1.00 0.00 H new ATOM 0 HB2 HIS A 101 7.877 -3.710 -13.295 1.00 0.00 H new ATOM 0 HB3 HIS A 101 7.935 -5.428 -13.635 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.616 -4.366 -10.700 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.158 -5.227 -14.049 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.177 -4.711 -11.555 1.00 0.00 H new ATOM 1569 N THR A 102 10.710 -4.845 -12.089 1.00 0.00 N ATOM 1570 CA THR A 102 12.034 -5.394 -12.357 1.00 0.00 C ATOM 1571 C THR A 102 13.005 -5.064 -11.230 1.00 0.00 C ATOM 1572 O THR A 102 14.036 -5.719 -11.074 1.00 0.00 O ATOM 1573 CB THR A 102 12.605 -4.859 -13.684 1.00 0.00 C ATOM 1574 OG1 THR A 102 12.796 -3.443 -13.600 1.00 0.00 O ATOM 1575 CG2 THR A 102 11.674 -5.182 -14.843 1.00 0.00 C ATOM 0 H THR A 102 10.665 -3.826 -12.102 1.00 0.00 H new ATOM 0 HA THR A 102 11.919 -6.476 -12.428 1.00 0.00 H new ATOM 0 HB THR A 102 13.564 -5.344 -13.863 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.161 -3.111 -14.447 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.098 -4.794 -15.769 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.554 -6.262 -14.923 1.00 0.00 H new ATOM 0 HG23 THR A 102 10.702 -4.721 -14.668 1.00 0.00 H new ATOM 1583 N HIS A 103 12.669 -4.045 -10.445 1.00 0.00 N ATOM 1584 CA HIS A 103 13.512 -3.630 -9.329 1.00 0.00 C ATOM 1585 C HIS A 103 12.835 -3.930 -7.995 1.00 0.00 C ATOM 1586 O HIS A 103 12.089 -3.106 -7.467 1.00 0.00 O ATOM 1587 CB HIS A 103 13.828 -2.137 -9.430 1.00 0.00 C ATOM 1588 CG HIS A 103 15.043 -1.836 -10.251 1.00 0.00 C ATOM 1589 ND1 HIS A 103 15.922 -0.817 -9.950 1.00 0.00 N ATOM 1590 CD2 HIS A 103 15.526 -2.429 -11.369 1.00 0.00 C ATOM 1591 CE1 HIS A 103 16.891 -0.794 -10.848 1.00 0.00 C ATOM 1592 NE2 HIS A 103 16.674 -1.762 -11.719 1.00 0.00 N ATOM 0 H HIS A 103 11.820 -3.492 -10.561 1.00 0.00 H new ATOM 0 HA HIS A 103 14.443 -4.195 -9.378 1.00 0.00 H new ATOM 0 HB2 HIS A 103 12.971 -1.621 -9.862 1.00 0.00 H new ATOM 0 HB3 HIS A 103 13.969 -1.735 -8.427 1.00 0.00 H new ATOM 0 HD2 HIS A 103 15.090 -3.270 -11.888 1.00 0.00 H new ATOM 0 HE1 HIS A 103 17.719 -0.101 -10.866 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.264 -1.979 -12.522 1.00 0.00 H new ATOM 1601 N VAL A 104 13.100 -5.115 -7.456 1.00 0.00 N ATOM 1602 CA VAL A 104 12.517 -5.524 -6.184 1.00 0.00 C ATOM 1603 C VAL A 104 12.434 -4.350 -5.215 1.00 0.00 C ATOM 1604 O VAL A 104 13.318 -3.493 -5.184 1.00 0.00 O ATOM 1605 CB VAL A 104 13.331 -6.658 -5.532 1.00 0.00 C ATOM 1606 CG1 VAL A 104 14.822 -6.422 -5.721 1.00 0.00 C ATOM 1607 CG2 VAL A 104 12.986 -6.780 -4.055 1.00 0.00 C ATOM 0 H VAL A 104 13.715 -5.809 -7.881 1.00 0.00 H new ATOM 0 HA VAL A 104 11.511 -5.886 -6.398 1.00 0.00 H new ATOM 0 HB VAL A 104 13.071 -7.596 -6.022 1.00 0.00 H new ATOM 0 HG11 VAL A 104 15.381 -7.233 -5.254 1.00 0.00 H new ATOM 0 HG12 VAL A 104 15.053 -6.388 -6.786 1.00 0.00 H new ATOM 0 HG13 VAL A 104 15.102 -5.475 -5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 104 13.570 -7.586 -3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 104 13.217 -5.843 -3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.924 -6.999 -3.946 1.00 0.00 H new ATOM 1617 N LEU A 105 11.367 -4.318 -4.424 1.00 0.00 N ATOM 1618 CA LEU A 105 11.168 -3.248 -3.452 1.00 0.00 C ATOM 1619 C LEU A 105 12.240 -3.292 -2.367 1.00 0.00 C ATOM 1620 O LEU A 105 12.845 -4.331 -2.099 1.00 0.00 O ATOM 1621 CB LEU A 105 9.780 -3.360 -2.818 1.00 0.00 C ATOM 1622 CG LEU A 105 8.627 -3.659 -3.777 1.00 0.00 C ATOM 1623 CD1 LEU A 105 7.410 -4.153 -3.011 1.00 0.00 C ATOM 1624 CD2 LEU A 105 8.280 -2.423 -4.595 1.00 0.00 C ATOM 0 H LEU A 105 10.627 -5.020 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 105 11.246 -2.295 -3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.810 -4.144 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.563 -2.426 -2.300 1.00 0.00 H new ATOM 0 HG LEU A 105 8.943 -4.446 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.600 -4.361 -3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.666 -5.064 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.091 -3.389 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.458 -2.654 -5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.983 -1.615 -3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.150 -2.114 -5.174 1.00 0.00 H new ATOM 1636 N PRO A 106 12.480 -2.139 -1.725 1.00 0.00 N ATOM 1637 CA PRO A 106 13.477 -2.021 -0.657 1.00 0.00 C ATOM 1638 C PRO A 106 13.056 -2.753 0.613 1.00 0.00 C ATOM 1639 O PRO A 106 11.899 -3.149 0.758 1.00 0.00 O ATOM 1640 CB PRO A 106 13.549 -0.513 -0.405 1.00 0.00 C ATOM 1641 CG PRO A 106 12.224 0.009 -0.844 1.00 0.00 C ATOM 1642 CD PRO A 106 11.796 -0.863 -1.992 1.00 0.00 C ATOM 0 HA PRO A 106 14.431 -2.467 -0.939 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.731 -0.296 0.648 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.361 -0.056 -0.970 1.00 0.00 H new ATOM 0 HG2 PRO A 106 11.499 -0.032 -0.031 1.00 0.00 H new ATOM 0 HG3 PRO A 106 12.298 1.052 -1.152 1.00 0.00 H new ATOM 0 HD2 PRO A 106 10.713 -0.986 -2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 106 12.095 -0.440 -2.951 1.00 0.00 H new ATOM 1650 N SER A 107 14.002 -2.930 1.530 1.00 0.00 N ATOM 1651 CA SER A 107 13.729 -3.618 2.786 1.00 0.00 C ATOM 1652 C SER A 107 13.349 -5.075 2.536 1.00 0.00 C ATOM 1653 O SER A 107 12.661 -5.696 3.347 1.00 0.00 O ATOM 1654 CB SER A 107 12.608 -2.910 3.548 1.00 0.00 C ATOM 1655 OG SER A 107 13.020 -1.627 3.987 1.00 0.00 O ATOM 0 H SER A 107 14.964 -2.607 1.427 1.00 0.00 H new ATOM 0 HA SER A 107 14.637 -3.596 3.388 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.732 -2.814 2.906 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.310 -3.513 4.406 1.00 0.00 H new ATOM 0 HG SER A 107 12.285 -1.195 4.470 1.00 0.00 H new ATOM 1661 N HIS A 108 13.802 -5.613 1.409 1.00 0.00 N ATOM 1662 CA HIS A 108 13.511 -6.997 1.051 1.00 0.00 C ATOM 1663 C HIS A 108 14.604 -7.567 0.152 1.00 0.00 C ATOM 1664 O HIS A 108 15.598 -6.900 -0.131 1.00 0.00 O ATOM 1665 CB HIS A 108 12.156 -7.089 0.348 1.00 0.00 C ATOM 1666 CG HIS A 108 11.379 -8.319 0.705 1.00 0.00 C ATOM 1667 ND1 HIS A 108 11.465 -9.497 -0.007 1.00 0.00 N ATOM 1668 CD2 HIS A 108 10.499 -8.550 1.706 1.00 0.00 C ATOM 1669 CE1 HIS A 108 10.670 -10.398 0.540 1.00 0.00 C ATOM 1670 NE2 HIS A 108 10.072 -9.850 1.582 1.00 0.00 N ATOM 0 H HIS A 108 14.372 -5.112 0.727 1.00 0.00 H new ATOM 0 HA HIS A 108 13.477 -7.585 1.968 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.564 -6.209 0.601 1.00 0.00 H new ATOM 0 HB3 HIS A 108 12.313 -7.069 -0.730 1.00 0.00 H new ATOM 0 HD1 HIS A 108 12.051 -9.648 -0.828 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.190 -7.844 2.462 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.532 -11.412 0.194 1.00 0.00 H new ATOM 1679 N GLN A 109 14.412 -8.805 -0.291 1.00 0.00 N ATOM 1680 CA GLN A 109 15.383 -9.466 -1.156 1.00 0.00 C ATOM 1681 C GLN A 109 14.804 -9.695 -2.548 1.00 0.00 C ATOM 1682 O GLN A 109 15.358 -9.232 -3.546 1.00 0.00 O ATOM 1683 CB GLN A 109 15.817 -10.799 -0.546 1.00 0.00 C ATOM 1684 CG GLN A 109 14.660 -11.738 -0.249 1.00 0.00 C ATOM 1685 CD GLN A 109 14.982 -12.732 0.850 1.00 0.00 C ATOM 1686 OE1 GLN A 109 15.140 -13.927 0.595 1.00 0.00 O ATOM 1687 NE2 GLN A 109 15.082 -12.244 2.080 1.00 0.00 N ATOM 0 H GLN A 109 13.594 -9.371 -0.066 1.00 0.00 H new ATOM 0 HA GLN A 109 16.253 -8.816 -1.246 1.00 0.00 H new ATOM 0 HB2 GLN A 109 16.509 -11.293 -1.228 1.00 0.00 H new ATOM 0 HB3 GLN A 109 16.363 -10.606 0.377 1.00 0.00 H new ATOM 0 HG2 GLN A 109 13.787 -11.153 0.040 1.00 0.00 H new ATOM 0 HG3 GLN A 109 14.394 -12.279 -1.157 1.00 0.00 H new ATOM 0 HE21 GLN A 109 14.943 -11.247 2.246 1.00 0.00 H new ATOM 0 HE22 GLN A 109 15.298 -12.866 2.859 1.00 0.00 H new ATOM 1696 N SER A 110 13.686 -10.412 -2.609 1.00 0.00 N ATOM 1697 CA SER A 110 13.034 -10.706 -3.880 1.00 0.00 C ATOM 1698 C SER A 110 11.528 -10.484 -3.782 1.00 0.00 C ATOM 1699 O SER A 110 10.737 -11.397 -4.026 1.00 0.00 O ATOM 1700 CB SER A 110 13.323 -12.148 -4.303 1.00 0.00 C ATOM 1701 OG SER A 110 14.642 -12.278 -4.802 1.00 0.00 O ATOM 0 H SER A 110 13.213 -10.800 -1.793 1.00 0.00 H new ATOM 0 HA SER A 110 13.435 -10.027 -4.632 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.186 -12.815 -3.452 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.610 -12.456 -5.067 1.00 0.00 H new ATOM 0 HG SER A 110 14.802 -13.209 -5.064 1.00 0.00 H new ATOM 1707 N LEU A 111 11.138 -9.267 -3.422 1.00 0.00 N ATOM 1708 CA LEU A 111 9.726 -8.923 -3.291 1.00 0.00 C ATOM 1709 C LEU A 111 9.310 -7.916 -4.359 1.00 0.00 C ATOM 1710 O LEU A 111 9.455 -6.707 -4.178 1.00 0.00 O ATOM 1711 CB LEU A 111 9.447 -8.352 -1.900 1.00 0.00 C ATOM 1712 CG LEU A 111 8.055 -7.756 -1.685 1.00 0.00 C ATOM 1713 CD1 LEU A 111 6.980 -8.768 -2.049 1.00 0.00 C ATOM 1714 CD2 LEU A 111 7.889 -7.293 -0.245 1.00 0.00 C ATOM 0 H LEU A 111 11.779 -8.501 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 111 9.141 -9.833 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.598 -9.145 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.187 -7.580 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 111 7.946 -6.890 -2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.996 -8.327 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.086 -9.050 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.086 -9.653 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.893 -6.872 -0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.018 -8.141 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.637 -6.534 -0.018 1.00 0.00 H new ATOM 1726 N LEU A 112 8.789 -8.423 -5.471 1.00 0.00 N ATOM 1727 CA LEU A 112 8.348 -7.569 -6.568 1.00 0.00 C ATOM 1728 C LEU A 112 6.826 -7.519 -6.641 1.00 0.00 C ATOM 1729 O LEU A 112 6.135 -8.274 -5.956 1.00 0.00 O ATOM 1730 CB LEU A 112 8.918 -8.074 -7.895 1.00 0.00 C ATOM 1731 CG LEU A 112 10.413 -8.392 -7.905 1.00 0.00 C ATOM 1732 CD1 LEU A 112 10.696 -9.599 -8.786 1.00 0.00 C ATOM 1733 CD2 LEU A 112 11.212 -7.186 -8.378 1.00 0.00 C ATOM 0 H LEU A 112 8.662 -9.421 -5.637 1.00 0.00 H new ATOM 0 HA LEU A 112 8.717 -6.561 -6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.374 -8.973 -8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.721 -7.324 -8.661 1.00 0.00 H new ATOM 0 HG LEU A 112 10.721 -8.630 -6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.765 -9.810 -8.781 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.153 -10.464 -8.404 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.373 -9.389 -9.806 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.274 -7.431 -8.379 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.901 -6.917 -9.387 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.034 -6.346 -7.707 1.00 0.00 H new ATOM 1745 N LEU A 113 6.308 -6.626 -7.478 1.00 0.00 N ATOM 1746 CA LEU A 113 4.866 -6.479 -7.644 1.00 0.00 C ATOM 1747 C LEU A 113 4.365 -7.314 -8.817 1.00 0.00 C ATOM 1748 O LEU A 113 4.374 -6.863 -9.963 1.00 0.00 O ATOM 1749 CB LEU A 113 4.505 -5.008 -7.859 1.00 0.00 C ATOM 1750 CG LEU A 113 5.177 -4.008 -6.918 1.00 0.00 C ATOM 1751 CD1 LEU A 113 4.865 -2.581 -7.344 1.00 0.00 C ATOM 1752 CD2 LEU A 113 4.734 -4.246 -5.482 1.00 0.00 C ATOM 0 H LEU A 113 6.865 -5.993 -8.052 1.00 0.00 H new ATOM 0 HA LEU A 113 4.382 -6.836 -6.735 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.758 -4.738 -8.884 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.425 -4.901 -7.759 1.00 0.00 H new ATOM 0 HG LEU A 113 6.256 -4.155 -6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.352 -1.883 -6.663 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.232 -2.415 -8.357 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.787 -2.421 -7.318 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.222 -3.525 -4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.653 -4.127 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.009 -5.256 -5.179 1.00 0.00 H new ATOM 1764 N ARG A 114 3.925 -8.534 -8.524 1.00 0.00 N ATOM 1765 CA ARG A 114 3.418 -9.432 -9.555 1.00 0.00 C ATOM 1766 C ARG A 114 1.958 -9.125 -9.874 1.00 0.00 C ATOM 1767 O ARG A 114 1.623 -8.747 -10.997 1.00 0.00 O ATOM 1768 CB ARG A 114 3.558 -10.888 -9.106 1.00 0.00 C ATOM 1769 CG ARG A 114 5.001 -11.345 -8.965 1.00 0.00 C ATOM 1770 CD ARG A 114 5.151 -12.380 -7.860 1.00 0.00 C ATOM 1771 NE ARG A 114 6.535 -12.504 -7.412 1.00 0.00 N ATOM 1772 CZ ARG A 114 7.433 -13.282 -8.007 1.00 0.00 C ATOM 1773 NH1 ARG A 114 7.094 -14.000 -9.069 1.00 0.00 N ATOM 1774 NH2 ARG A 114 8.673 -13.342 -7.540 1.00 0.00 N ATOM 0 H ARG A 114 3.910 -8.923 -7.581 1.00 0.00 H new ATOM 0 HA ARG A 114 4.009 -9.278 -10.458 1.00 0.00 H new ATOM 0 HB2 ARG A 114 3.050 -11.015 -8.150 1.00 0.00 H new ATOM 0 HB3 ARG A 114 3.050 -11.532 -9.825 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.344 -11.767 -9.910 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.637 -10.486 -8.750 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.520 -12.103 -7.016 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.798 -13.347 -8.218 1.00 0.00 H new ATOM 0 HE ARG A 114 6.829 -11.964 -6.598 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.142 -13.956 -9.431 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.786 -14.596 -9.523 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.938 -12.791 -6.724 1.00 0.00 H new ATOM 0 HH22 ARG A 114 9.362 -13.939 -7.997 1.00 0.00 H new ATOM 1788 N HIS A 115 1.093 -9.289 -8.878 1.00 0.00 N ATOM 1789 CA HIS A 115 -0.332 -9.030 -9.052 1.00 0.00 C ATOM 1790 C HIS A 115 -0.846 -8.078 -7.976 1.00 0.00 C ATOM 1791 O HIS A 115 -0.525 -8.207 -6.794 1.00 0.00 O ATOM 1792 CB HIS A 115 -1.119 -10.339 -9.010 1.00 0.00 C ATOM 1793 CG HIS A 115 -0.378 -11.503 -9.593 1.00 0.00 C ATOM 1794 ND1 HIS A 115 -0.049 -11.593 -10.930 1.00 0.00 N ATOM 1795 CD2 HIS A 115 0.101 -12.628 -9.013 1.00 0.00 C ATOM 1796 CE1 HIS A 115 0.598 -12.724 -11.146 1.00 0.00 C ATOM 1797 NE2 HIS A 115 0.703 -13.370 -9.999 1.00 0.00 N ATOM 0 H HIS A 115 1.354 -9.600 -7.942 1.00 0.00 H new ATOM 0 HA HIS A 115 -0.475 -8.561 -10.026 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -1.377 -10.565 -7.975 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -2.056 -10.207 -9.551 1.00 0.00 H new ATOM 0 HD2 HIS A 115 0.024 -12.893 -7.969 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.977 -13.063 -12.099 1.00 0.00 H new ATOM 0 HE2 HIS A 115 1.158 -14.274 -9.867 1.00 0.00 H new ATOM 1806 N PRO A 116 -1.664 -7.100 -8.392 1.00 0.00 N ATOM 1807 CA PRO A 116 -2.240 -6.108 -7.479 1.00 0.00 C ATOM 1808 C PRO A 116 -3.281 -6.715 -6.545 1.00 0.00 C ATOM 1809 O PRO A 116 -3.602 -7.900 -6.644 1.00 0.00 O ATOM 1810 CB PRO A 116 -2.893 -5.094 -8.422 1.00 0.00 C ATOM 1811 CG PRO A 116 -3.187 -5.866 -9.662 1.00 0.00 C ATOM 1812 CD PRO A 116 -2.089 -6.886 -9.785 1.00 0.00 C ATOM 0 HA PRO A 116 -1.487 -5.674 -6.821 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -3.803 -4.679 -7.989 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.226 -4.256 -8.626 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.162 -6.348 -9.599 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.211 -5.211 -10.533 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.447 -7.809 -10.242 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.269 -6.521 -10.404 1.00 0.00 H new ATOM 1820 N TYR A 117 -3.807 -5.897 -5.640 1.00 0.00 N ATOM 1821 CA TYR A 117 -4.811 -6.354 -4.688 1.00 0.00 C ATOM 1822 C TYR A 117 -6.219 -6.106 -5.220 1.00 0.00 C ATOM 1823 O TYR A 117 -6.434 -5.230 -6.056 1.00 0.00 O ATOM 1824 CB TYR A 117 -4.630 -5.646 -3.344 1.00 0.00 C ATOM 1825 CG TYR A 117 -5.842 -5.735 -2.445 1.00 0.00 C ATOM 1826 CD1 TYR A 117 -6.252 -6.953 -1.916 1.00 0.00 C ATOM 1827 CD2 TYR A 117 -6.577 -4.600 -2.122 1.00 0.00 C ATOM 1828 CE1 TYR A 117 -7.359 -7.038 -1.094 1.00 0.00 C ATOM 1829 CE2 TYR A 117 -7.685 -4.677 -1.300 1.00 0.00 C ATOM 1830 CZ TYR A 117 -8.072 -5.898 -0.789 1.00 0.00 C ATOM 1831 OH TYR A 117 -9.175 -5.979 0.030 1.00 0.00 O ATOM 0 H TYR A 117 -3.554 -4.913 -5.546 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.679 -7.427 -4.547 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -3.773 -6.078 -2.828 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.398 -4.596 -3.524 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -5.696 -7.848 -2.152 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -6.277 -3.642 -2.520 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.664 -7.993 -0.692 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -8.245 -3.786 -1.059 1.00 0.00 H new ATOM 0 HH TYR A 117 -9.879 -5.388 -0.310 1.00 0.00 H new ATOM 1841 N GLY A 118 -7.177 -6.887 -4.728 1.00 0.00 N ATOM 1842 CA GLY A 118 -8.553 -6.737 -5.164 1.00 0.00 C ATOM 1843 C GLY A 118 -8.793 -7.330 -6.538 1.00 0.00 C ATOM 1844 O GLY A 118 -9.771 -8.046 -6.751 1.00 0.00 O ATOM 0 H GLY A 118 -7.024 -7.620 -4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.214 -7.218 -4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -8.813 -5.679 -5.178 1.00 0.00 H new ATOM 1848 N TYR A 119 -7.900 -7.029 -7.474 1.00 0.00 N ATOM 1849 CA TYR A 119 -8.022 -7.533 -8.837 1.00 0.00 C ATOM 1850 C TYR A 119 -8.130 -9.055 -8.847 1.00 0.00 C ATOM 1851 O TYR A 119 -7.213 -9.758 -8.421 1.00 0.00 O ATOM 1852 CB TYR A 119 -6.822 -7.091 -9.676 1.00 0.00 C ATOM 1853 CG TYR A 119 -6.940 -7.453 -11.140 1.00 0.00 C ATOM 1854 CD1 TYR A 119 -6.814 -8.770 -11.562 1.00 0.00 C ATOM 1855 CD2 TYR A 119 -7.177 -6.477 -12.100 1.00 0.00 C ATOM 1856 CE1 TYR A 119 -6.920 -9.106 -12.898 1.00 0.00 C ATOM 1857 CE2 TYR A 119 -7.286 -6.803 -13.438 1.00 0.00 C ATOM 1858 CZ TYR A 119 -7.157 -8.119 -13.832 1.00 0.00 C ATOM 1859 OH TYR A 119 -7.264 -8.448 -15.164 1.00 0.00 O ATOM 0 H TYR A 119 -7.084 -6.439 -7.314 1.00 0.00 H new ATOM 0 HA TYR A 119 -8.932 -7.119 -9.270 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.704 -6.011 -9.586 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.918 -7.545 -9.270 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -6.630 -9.545 -10.833 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -7.278 -5.446 -11.795 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -6.818 -10.135 -13.209 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -7.471 -6.032 -14.171 1.00 0.00 H new ATOM 0 HH TYR A 119 -7.432 -7.638 -15.689 1.00 0.00 H new