USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=29 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=-0.0019) USER MOD Set 2.1: A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 66 THR OG1 : rot -39:sc= 0.96 USER MOD Set 3.2: A 67 SER OG : rot 115:sc= 0.28 USER MOD Set 4.1: A 51 ASN :FLIP amide:sc= 0.356 F(o=-2.2,f=0.74) USER MOD Set 4.2: A 58 LYS NZ :NH3+ 177:sc= 0.382 (180deg=-0.0615) USER MOD Single : A 17 ASN : amide:sc= -0.532 K(o=-0.53,f=-4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.387 X(o=-0.39,f=-0.26) USER MOD Single : A 23 THR OG1 : rot 82:sc= -0.541 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0173 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -168:sc= -1.88! (180deg=-2.04!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 70:sc= 1.26 USER MOD Single : A 43 GLN :FLIP amide:sc= -0.808 F(o=-1.7!,f=-0.81) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.111 USER MOD Single : A 48 CYS SG : rot 170:sc= -0.231 USER MOD Single : A 68 ASN : amide:sc= -0.885 X(o=-0.89,f=-1.2) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0.024) USER MOD Single : A 73 TYR OH : rot 12:sc= -0.746! USER MOD Single : A 80 SER OG : rot -50:sc= 0.239 USER MOD Single : A 81 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0179) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 151:sc= 0 (180deg=-0.141) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -0.857 F(o=-3.3,f=-0.86) USER MOD Single : A 100 TYR OH : rot 130:sc= -2.62 USER MOD Single : A 101 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.4) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0707 USER MOD Single : A 108 HIS : no HD1:sc= -2.05! C(o=-2!,f=-11!) USER MOD Single : A 109 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.9!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc=-0.00168 X(o=-0.0017,f=-0.0017) USER MOD Single : A 117 TYR OH : rot -140:sc= -0.904 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N PRO A 14 -3.254 0.894 -15.722 1.00 0.00 N ATOM 168 CA PRO A 14 -2.062 0.931 -14.869 1.00 0.00 C ATOM 169 C PRO A 14 -2.394 0.705 -13.398 1.00 0.00 C ATOM 170 O PRO A 14 -1.803 -0.155 -12.743 1.00 0.00 O ATOM 171 CB PRO A 14 -1.517 2.346 -15.082 1.00 0.00 C ATOM 172 CG PRO A 14 -2.703 3.152 -15.486 1.00 0.00 C ATOM 173 CD PRO A 14 -3.591 2.221 -16.264 1.00 0.00 C ATOM 0 HA PRO A 14 -1.354 0.143 -15.125 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.064 2.737 -14.171 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.747 2.362 -15.853 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.222 3.547 -14.613 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.405 4.006 -16.094 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.645 2.458 -16.120 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.394 2.279 -17.335 1.00 0.00 H new ATOM 181 N LEU A 15 -3.343 1.480 -12.885 1.00 0.00 N ATOM 182 CA LEU A 15 -3.755 1.363 -11.490 1.00 0.00 C ATOM 183 C LEU A 15 -5.271 1.241 -11.378 1.00 0.00 C ATOM 184 O LEU A 15 -6.008 2.221 -11.497 1.00 0.00 O ATOM 185 CB LEU A 15 -3.269 2.574 -10.691 1.00 0.00 C ATOM 186 CG LEU A 15 -1.895 2.436 -10.033 1.00 0.00 C ATOM 187 CD1 LEU A 15 -1.919 1.347 -8.972 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.830 2.142 -11.079 1.00 0.00 C ATOM 0 H LEU A 15 -3.842 2.196 -13.413 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.305 0.459 -11.079 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.246 3.438 -11.356 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.002 2.789 -9.914 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.648 3.381 -9.549 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.933 1.263 -8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.653 1.600 -8.207 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.188 0.396 -9.432 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.141 2.047 -10.593 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.071 1.211 -11.592 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.796 2.957 -11.802 1.00 0.00 H new ATOM 200 N PRO A 16 -5.750 0.011 -11.143 1.00 0.00 N ATOM 201 CA PRO A 16 -7.183 -0.268 -11.007 1.00 0.00 C ATOM 202 C PRO A 16 -7.767 0.312 -9.723 1.00 0.00 C ATOM 203 O PRO A 16 -7.036 0.633 -8.787 1.00 0.00 O ATOM 204 CB PRO A 16 -7.246 -1.797 -10.980 1.00 0.00 C ATOM 205 CG PRO A 16 -5.909 -2.222 -10.477 1.00 0.00 C ATOM 206 CD PRO A 16 -4.930 -1.203 -10.990 1.00 0.00 C ATOM 0 HA PRO A 16 -7.764 0.182 -11.812 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.045 -2.149 -10.327 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.443 -2.203 -11.972 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.896 -2.261 -9.388 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.657 -3.220 -10.835 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.108 -1.047 -10.291 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.488 -1.512 -11.937 1.00 0.00 H new ATOM 214 N ASN A 17 -9.089 0.442 -9.686 1.00 0.00 N ATOM 215 CA ASN A 17 -9.772 0.983 -8.516 1.00 0.00 C ATOM 216 C ASN A 17 -10.035 -0.110 -7.485 1.00 0.00 C ATOM 217 O ASN A 17 -11.031 -0.070 -6.763 1.00 0.00 O ATOM 218 CB ASN A 17 -11.091 1.640 -8.928 1.00 0.00 C ATOM 219 CG ASN A 17 -10.915 2.628 -10.064 1.00 0.00 C ATOM 220 OD1 ASN A 17 -9.817 2.789 -10.598 1.00 0.00 O ATOM 221 ND2 ASN A 17 -11.999 3.297 -10.439 1.00 0.00 N ATOM 0 H ASN A 17 -9.709 0.180 -10.453 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.125 1.735 -8.064 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.800 0.868 -9.228 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.523 2.152 -8.068 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.942 3.976 -11.198 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.889 3.132 -9.968 1.00 0.00 H new ATOM 228 N SER A 18 -9.134 -1.085 -7.422 1.00 0.00 N ATOM 229 CA SER A 18 -9.269 -2.192 -6.482 1.00 0.00 C ATOM 230 C SER A 18 -8.175 -2.139 -5.420 1.00 0.00 C ATOM 231 O SER A 18 -8.424 -2.395 -4.242 1.00 0.00 O ATOM 232 CB SER A 18 -9.213 -3.529 -7.223 1.00 0.00 C ATOM 233 OG SER A 18 -10.507 -3.945 -7.624 1.00 0.00 O ATOM 0 H SER A 18 -8.302 -1.131 -8.011 1.00 0.00 H new ATOM 0 HA SER A 18 -10.236 -2.100 -5.987 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.570 -3.436 -8.098 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.767 -4.287 -6.579 1.00 0.00 H new ATOM 0 HG SER A 18 -10.444 -4.801 -8.097 1.00 0.00 H new ATOM 239 N VAL A 19 -6.961 -1.806 -5.846 1.00 0.00 N ATOM 240 CA VAL A 19 -5.827 -1.719 -4.933 1.00 0.00 C ATOM 241 C VAL A 19 -6.056 -0.646 -3.874 1.00 0.00 C ATOM 242 O VAL A 19 -5.836 -0.876 -2.685 1.00 0.00 O ATOM 243 CB VAL A 19 -4.521 -1.409 -5.688 1.00 0.00 C ATOM 244 CG1 VAL A 19 -4.287 -2.429 -6.792 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.556 0.003 -6.255 1.00 0.00 C ATOM 0 H VAL A 19 -6.737 -1.592 -6.818 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.735 -2.691 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.691 -1.474 -4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.360 -2.194 -7.314 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.215 -3.426 -6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.118 -2.399 -7.497 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.625 0.205 -6.785 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.395 0.097 -6.945 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.673 0.719 -5.441 1.00 0.00 H new ATOM 255 N PHE A 20 -6.500 0.527 -4.314 1.00 0.00 N ATOM 256 CA PHE A 20 -6.759 1.636 -3.404 1.00 0.00 C ATOM 257 C PHE A 20 -7.909 1.307 -2.457 1.00 0.00 C ATOM 258 O PHE A 20 -9.072 1.287 -2.859 1.00 0.00 O ATOM 259 CB PHE A 20 -7.081 2.907 -4.193 1.00 0.00 C ATOM 260 CG PHE A 20 -6.094 3.200 -5.287 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.268 2.672 -6.556 1.00 0.00 C ATOM 262 CD2 PHE A 20 -4.990 4.002 -5.045 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.362 2.940 -7.564 1.00 0.00 C ATOM 264 CE2 PHE A 20 -4.081 4.274 -6.049 1.00 0.00 C ATOM 265 CZ PHE A 20 -4.266 3.741 -7.310 1.00 0.00 C ATOM 0 H PHE A 20 -6.688 0.734 -5.295 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.860 1.803 -2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.076 2.813 -4.628 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.112 3.753 -3.507 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.122 2.043 -6.760 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.839 4.419 -4.060 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.511 2.524 -8.549 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.226 4.903 -5.848 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.555 3.950 -8.096 1.00 0.00 H new ATOM 275 N VAL A 21 -7.575 1.048 -1.197 1.00 0.00 N ATOM 276 CA VAL A 21 -8.579 0.719 -0.192 1.00 0.00 C ATOM 277 C VAL A 21 -8.735 1.849 0.819 1.00 0.00 C ATOM 278 O VAL A 21 -7.800 2.610 1.064 1.00 0.00 O ATOM 279 CB VAL A 21 -8.220 -0.579 0.556 1.00 0.00 C ATOM 280 CG1 VAL A 21 -6.920 -0.409 1.327 1.00 0.00 C ATOM 281 CG2 VAL A 21 -9.352 -0.986 1.488 1.00 0.00 C ATOM 0 H VAL A 21 -6.617 1.060 -0.848 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.521 0.576 -0.721 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.079 -1.373 -0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.683 -1.336 1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.115 -0.167 0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.030 0.398 2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.082 -1.905 2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.526 -0.194 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.260 -1.151 0.908 1.00 0.00 H new ATOM 291 N ASN A 22 -9.924 1.953 1.403 1.00 0.00 N ATOM 292 CA ASN A 22 -10.204 2.991 2.389 1.00 0.00 C ATOM 293 C ASN A 22 -9.939 2.484 3.803 1.00 0.00 C ATOM 294 O ASN A 22 -10.540 2.959 4.768 1.00 0.00 O ATOM 295 CB ASN A 22 -11.654 3.463 2.266 1.00 0.00 C ATOM 296 CG ASN A 22 -11.901 4.770 2.995 1.00 0.00 C ATOM 297 OD1 ASN A 22 -11.419 5.824 2.581 1.00 0.00 O ATOM 298 ND2 ASN A 22 -12.654 4.705 4.087 1.00 0.00 N ATOM 0 H ASN A 22 -10.709 1.331 1.211 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.538 3.832 2.194 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.905 3.585 1.212 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.318 2.696 2.666 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.854 5.551 4.620 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -13.033 3.809 4.393 1.00 0.00 H new ATOM 305 N THR A 23 -9.035 1.516 3.920 1.00 0.00 N ATOM 306 CA THR A 23 -8.691 0.944 5.215 1.00 0.00 C ATOM 307 C THR A 23 -7.354 1.479 5.715 1.00 0.00 C ATOM 308 O THR A 23 -6.324 1.315 5.060 1.00 0.00 O ATOM 309 CB THR A 23 -8.625 -0.594 5.150 1.00 0.00 C ATOM 310 OG1 THR A 23 -8.692 -1.143 6.470 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.343 -1.051 4.470 1.00 0.00 C ATOM 0 H THR A 23 -8.528 1.112 3.133 1.00 0.00 H new ATOM 0 HA THR A 23 -9.478 1.237 5.909 1.00 0.00 H new ATOM 0 HB THR A 23 -9.474 -0.948 4.566 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.627 -1.185 6.760 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.318 -2.140 4.435 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.308 -0.655 3.455 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.483 -0.686 5.032 1.00 0.00 H new ATOM 319 N THR A 24 -7.376 2.118 6.880 1.00 0.00 N ATOM 320 CA THR A 24 -6.165 2.678 7.467 1.00 0.00 C ATOM 321 C THR A 24 -5.597 1.755 8.539 1.00 0.00 C ATOM 322 O THR A 24 -4.935 2.207 9.472 1.00 0.00 O ATOM 323 CB THR A 24 -6.429 4.063 8.087 1.00 0.00 C ATOM 324 OG1 THR A 24 -7.505 3.982 9.028 1.00 0.00 O ATOM 325 CG2 THR A 24 -6.768 5.082 7.009 1.00 0.00 C ATOM 0 H THR A 24 -8.219 2.261 7.436 1.00 0.00 H new ATOM 0 HA THR A 24 -5.441 2.782 6.659 1.00 0.00 H new ATOM 0 HB THR A 24 -5.523 4.386 8.599 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.665 4.866 9.419 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.951 6.053 7.470 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.935 5.163 6.310 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.661 4.761 6.473 1.00 0.00 H new ATOM 333 N GLU A 25 -5.859 0.459 8.397 1.00 0.00 N ATOM 334 CA GLU A 25 -5.373 -0.527 9.355 1.00 0.00 C ATOM 335 C GLU A 25 -4.607 -1.641 8.647 1.00 0.00 C ATOM 336 O GLU A 25 -5.203 -2.525 8.032 1.00 0.00 O ATOM 337 CB GLU A 25 -6.540 -1.120 10.147 1.00 0.00 C ATOM 338 CG GLU A 25 -7.390 -0.076 10.851 1.00 0.00 C ATOM 339 CD GLU A 25 -6.899 0.228 12.253 1.00 0.00 C ATOM 340 OE1 GLU A 25 -5.737 0.663 12.392 1.00 0.00 O ATOM 341 OE2 GLU A 25 -7.676 0.030 13.211 1.00 0.00 O ATOM 0 H GLU A 25 -6.404 0.068 7.629 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.695 -0.023 10.044 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.172 -1.695 9.471 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.148 -1.817 10.888 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.391 0.842 10.264 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.421 -0.425 10.899 1.00 0.00 H new ATOM 348 N SER A 26 -3.282 -1.590 8.739 1.00 0.00 N ATOM 349 CA SER A 26 -2.433 -2.592 8.104 1.00 0.00 C ATOM 350 C SER A 26 -2.957 -3.999 8.374 1.00 0.00 C ATOM 351 O SER A 26 -2.952 -4.855 7.489 1.00 0.00 O ATOM 352 CB SER A 26 -0.994 -2.466 8.610 1.00 0.00 C ATOM 353 OG SER A 26 -0.589 -1.109 8.662 1.00 0.00 O ATOM 0 H SER A 26 -2.773 -0.866 9.247 1.00 0.00 H new ATOM 0 HA SER A 26 -2.450 -2.417 7.028 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.914 -2.911 9.602 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.325 -3.024 7.955 1.00 0.00 H new ATOM 0 HG SER A 26 0.333 -1.055 8.990 1.00 0.00 H new ATOM 359 N CYS A 27 -3.410 -4.229 9.601 1.00 0.00 N ATOM 360 CA CYS A 27 -3.938 -5.532 9.989 1.00 0.00 C ATOM 361 C CYS A 27 -5.083 -5.950 9.073 1.00 0.00 C ATOM 362 O CYS A 27 -5.108 -7.072 8.569 1.00 0.00 O ATOM 363 CB CYS A 27 -4.417 -5.500 11.441 1.00 0.00 C ATOM 364 SG CYS A 27 -3.111 -5.798 12.656 1.00 0.00 S ATOM 0 H CYS A 27 -3.422 -3.531 10.344 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.136 -6.264 9.895 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.870 -4.529 11.641 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.198 -6.249 11.571 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.613 -5.749 13.854 1.00 0.00 H new ATOM 370 N GLU A 28 -6.028 -5.040 8.863 1.00 0.00 N ATOM 371 CA GLU A 28 -7.177 -5.316 8.009 1.00 0.00 C ATOM 372 C GLU A 28 -6.729 -5.796 6.631 1.00 0.00 C ATOM 373 O GLU A 28 -7.116 -6.875 6.181 1.00 0.00 O ATOM 374 CB GLU A 28 -8.047 -4.065 7.866 1.00 0.00 C ATOM 375 CG GLU A 28 -9.252 -4.261 6.961 1.00 0.00 C ATOM 376 CD GLU A 28 -10.425 -4.896 7.682 1.00 0.00 C ATOM 377 OE1 GLU A 28 -10.214 -5.905 8.387 1.00 0.00 O ATOM 378 OE2 GLU A 28 -11.555 -4.384 7.541 1.00 0.00 O ATOM 0 H GLU A 28 -6.021 -4.106 9.272 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.763 -6.107 8.478 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.391 -3.757 8.853 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.437 -3.252 7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.558 -3.297 6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.968 -4.887 6.115 1.00 0.00 H new ATOM 385 N VAL A 29 -5.909 -4.987 5.967 1.00 0.00 N ATOM 386 CA VAL A 29 -5.407 -5.329 4.642 1.00 0.00 C ATOM 387 C VAL A 29 -4.940 -6.779 4.588 1.00 0.00 C ATOM 388 O VAL A 29 -5.213 -7.494 3.624 1.00 0.00 O ATOM 389 CB VAL A 29 -4.241 -4.410 4.229 1.00 0.00 C ATOM 390 CG1 VAL A 29 -3.674 -4.838 2.884 1.00 0.00 C ATOM 391 CG2 VAL A 29 -4.696 -2.959 4.188 1.00 0.00 C ATOM 0 H VAL A 29 -5.579 -4.091 6.325 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.234 -5.191 3.945 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.450 -4.498 4.974 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.852 -4.177 2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.309 -5.863 2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.455 -4.781 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.860 -2.324 3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.505 -2.852 3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.050 -2.661 5.175 1.00 0.00 H new ATOM 401 N GLU A 30 -4.234 -7.207 5.631 1.00 0.00 N ATOM 402 CA GLU A 30 -3.729 -8.573 5.701 1.00 0.00 C ATOM 403 C GLU A 30 -4.873 -9.581 5.631 1.00 0.00 C ATOM 404 O GLU A 30 -4.786 -10.587 4.927 1.00 0.00 O ATOM 405 CB GLU A 30 -2.932 -8.779 6.991 1.00 0.00 C ATOM 406 CG GLU A 30 -2.297 -10.155 7.100 1.00 0.00 C ATOM 407 CD GLU A 30 -1.215 -10.216 8.162 1.00 0.00 C ATOM 408 OE1 GLU A 30 -0.063 -9.846 7.855 1.00 0.00 O ATOM 409 OE2 GLU A 30 -1.521 -10.633 9.298 1.00 0.00 O ATOM 0 H GLU A 30 -3.999 -6.628 6.437 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.073 -8.735 4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.150 -8.022 7.050 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.592 -8.624 7.845 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.068 -10.890 7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.871 -10.432 6.136 1.00 0.00 H new ATOM 416 N ARG A 31 -5.945 -9.303 6.366 1.00 0.00 N ATOM 417 CA ARG A 31 -7.105 -10.185 6.389 1.00 0.00 C ATOM 418 C ARG A 31 -7.793 -10.214 5.027 1.00 0.00 C ATOM 419 O ARG A 31 -8.052 -11.284 4.473 1.00 0.00 O ATOM 420 CB ARG A 31 -8.096 -9.731 7.463 1.00 0.00 C ATOM 421 CG ARG A 31 -9.136 -10.782 7.815 1.00 0.00 C ATOM 422 CD ARG A 31 -8.662 -11.678 8.948 1.00 0.00 C ATOM 423 NE ARG A 31 -9.770 -12.371 9.599 1.00 0.00 N ATOM 424 CZ ARG A 31 -10.638 -11.772 10.407 1.00 0.00 C ATOM 425 NH1 ARG A 31 -10.527 -10.475 10.661 1.00 0.00 N ATOM 426 NH2 ARG A 31 -11.621 -12.470 10.962 1.00 0.00 N ATOM 0 H ARG A 31 -6.034 -8.474 6.953 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.760 -11.192 6.624 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.544 -9.462 8.364 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.604 -8.830 7.119 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.067 -10.292 8.102 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.353 -11.389 6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.955 -12.411 8.559 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.127 -11.078 9.684 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.884 -13.369 9.424 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.774 -9.935 10.236 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.195 -10.018 11.282 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.711 -13.467 10.768 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.287 -12.009 11.582 1.00 0.00 H new ATOM 440 N LEU A 32 -8.086 -9.034 4.493 1.00 0.00 N ATOM 441 CA LEU A 32 -8.744 -8.924 3.195 1.00 0.00 C ATOM 442 C LEU A 32 -8.042 -9.788 2.153 1.00 0.00 C ATOM 443 O LEU A 32 -8.658 -10.656 1.534 1.00 0.00 O ATOM 444 CB LEU A 32 -8.765 -7.465 2.734 1.00 0.00 C ATOM 445 CG LEU A 32 -9.263 -6.445 3.758 1.00 0.00 C ATOM 446 CD1 LEU A 32 -9.144 -5.033 3.206 1.00 0.00 C ATOM 447 CD2 LEU A 32 -10.701 -6.745 4.155 1.00 0.00 C ATOM 0 H LEU A 32 -7.879 -8.140 4.938 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.769 -9.280 3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.755 -7.185 2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.393 -7.394 1.846 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.639 -6.519 4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.503 -4.321 3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.101 -4.820 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.743 -4.945 2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.038 -6.009 4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.339 -6.700 3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.757 -7.742 4.593 1.00 0.00 H new ATOM 459 N PHE A 33 -6.749 -9.546 1.966 1.00 0.00 N ATOM 460 CA PHE A 33 -5.962 -10.304 0.999 1.00 0.00 C ATOM 461 C PHE A 33 -6.397 -11.766 0.969 1.00 0.00 C ATOM 462 O PHE A 33 -6.758 -12.297 -0.081 1.00 0.00 O ATOM 463 CB PHE A 33 -4.472 -10.210 1.338 1.00 0.00 C ATOM 464 CG PHE A 33 -3.827 -8.942 0.858 1.00 0.00 C ATOM 465 CD1 PHE A 33 -4.547 -7.760 0.804 1.00 0.00 C ATOM 466 CD2 PHE A 33 -2.500 -8.932 0.461 1.00 0.00 C ATOM 467 CE1 PHE A 33 -3.956 -6.591 0.362 1.00 0.00 C ATOM 468 CE2 PHE A 33 -1.902 -7.767 0.018 1.00 0.00 C ATOM 469 CZ PHE A 33 -2.632 -6.595 -0.031 1.00 0.00 C ATOM 0 H PHE A 33 -6.224 -8.832 2.470 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.132 -9.873 0.012 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.348 -10.285 2.418 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.953 -11.061 0.898 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.582 -7.751 1.111 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.925 -9.846 0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.529 -5.676 0.324 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.867 -7.773 -0.289 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.168 -5.683 -0.376 1.00 0.00 H new ATOM 479 N LYS A 34 -6.361 -12.411 2.130 1.00 0.00 N ATOM 480 CA LYS A 34 -6.752 -13.812 2.240 1.00 0.00 C ATOM 481 C LYS A 34 -8.238 -13.986 1.943 1.00 0.00 C ATOM 482 O LYS A 34 -8.653 -14.996 1.375 1.00 0.00 O ATOM 483 CB LYS A 34 -6.435 -14.343 3.639 1.00 0.00 C ATOM 484 CG LYS A 34 -4.982 -14.163 4.043 1.00 0.00 C ATOM 485 CD LYS A 34 -4.839 -13.980 5.545 1.00 0.00 C ATOM 486 CE LYS A 34 -3.434 -13.536 5.922 1.00 0.00 C ATOM 487 NZ LYS A 34 -3.338 -13.156 7.358 1.00 0.00 N ATOM 0 H LYS A 34 -6.065 -11.986 3.009 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.183 -14.381 1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.071 -13.835 4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.687 -15.403 3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.405 -15.031 3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.565 -13.297 3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.561 -13.241 5.893 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.073 -14.917 6.051 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.730 -14.341 5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.143 -12.688 5.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.434 -12.672 7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.123 -12.519 7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.390 -14.011 7.948 1.00 0.00 H new ATOM 501 N ALA A 35 -9.035 -12.996 2.331 1.00 0.00 N ATOM 502 CA ALA A 35 -10.474 -13.039 2.103 1.00 0.00 C ATOM 503 C ALA A 35 -10.793 -13.062 0.612 1.00 0.00 C ATOM 504 O ALA A 35 -11.444 -13.985 0.120 1.00 0.00 O ATOM 505 CB ALA A 35 -11.150 -11.851 2.771 1.00 0.00 C ATOM 0 H ALA A 35 -8.708 -12.154 2.805 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.860 -13.958 2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.224 -11.896 2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.959 -11.880 3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.752 -10.925 2.356 1.00 0.00 H new ATOM 511 N THR A 36 -10.332 -12.041 -0.103 1.00 0.00 N ATOM 512 CA THR A 36 -10.571 -11.943 -1.538 1.00 0.00 C ATOM 513 C THR A 36 -10.099 -13.200 -2.260 1.00 0.00 C ATOM 514 O THR A 36 -10.519 -13.476 -3.384 1.00 0.00 O ATOM 515 CB THR A 36 -9.859 -10.719 -2.143 1.00 0.00 C ATOM 516 OG1 THR A 36 -10.239 -10.560 -3.515 1.00 0.00 O ATOM 517 CG2 THR A 36 -8.348 -10.868 -2.044 1.00 0.00 C ATOM 0 H THR A 36 -9.791 -11.270 0.288 1.00 0.00 H new ATOM 0 HA THR A 36 -11.647 -11.832 -1.673 1.00 0.00 H new ATOM 0 HB THR A 36 -10.159 -9.836 -1.579 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.783 -9.779 -3.892 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.867 -9.991 -2.478 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.059 -10.960 -0.997 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.034 -11.760 -2.586 1.00 0.00 H new ATOM 525 N SER A 37 -9.225 -13.959 -1.607 1.00 0.00 N ATOM 526 CA SER A 37 -8.694 -15.186 -2.189 1.00 0.00 C ATOM 527 C SER A 37 -9.691 -16.332 -2.045 1.00 0.00 C ATOM 528 O SER A 37 -10.308 -16.523 -0.997 1.00 0.00 O ATOM 529 CB SER A 37 -7.369 -15.561 -1.522 1.00 0.00 C ATOM 530 OG SER A 37 -6.461 -14.473 -1.545 1.00 0.00 O ATOM 0 H SER A 37 -8.870 -13.746 -0.675 1.00 0.00 H new ATOM 0 HA SER A 37 -8.521 -15.009 -3.251 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.550 -15.866 -0.491 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.929 -16.417 -2.035 1.00 0.00 H new ATOM 0 HG SER A 37 -6.777 -13.770 -0.939 1.00 0.00 H new ATOM 536 N PRO A 38 -9.852 -17.114 -3.123 1.00 0.00 N ATOM 537 CA PRO A 38 -10.773 -18.255 -3.142 1.00 0.00 C ATOM 538 C PRO A 38 -10.292 -19.402 -2.260 1.00 0.00 C ATOM 539 O PRO A 38 -11.060 -20.305 -1.927 1.00 0.00 O ATOM 540 CB PRO A 38 -10.782 -18.678 -4.613 1.00 0.00 C ATOM 541 CG PRO A 38 -9.473 -18.210 -5.150 1.00 0.00 C ATOM 542 CD PRO A 38 -9.149 -16.945 -4.405 1.00 0.00 C ATOM 0 HA PRO A 38 -11.757 -17.992 -2.754 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.888 -19.758 -4.714 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.615 -18.225 -5.150 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.698 -18.961 -4.999 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.534 -18.026 -6.223 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.075 -16.827 -4.262 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.498 -16.062 -4.941 1.00 0.00 H new ATOM 550 N ARG A 39 -9.017 -19.361 -1.886 1.00 0.00 N ATOM 551 CA ARG A 39 -8.434 -20.398 -1.043 1.00 0.00 C ATOM 552 C ARG A 39 -7.982 -19.821 0.295 1.00 0.00 C ATOM 553 O ARG A 39 -7.079 -20.353 0.938 1.00 0.00 O ATOM 554 CB ARG A 39 -7.250 -21.056 -1.753 1.00 0.00 C ATOM 555 CG ARG A 39 -7.659 -22.020 -2.855 1.00 0.00 C ATOM 556 CD ARG A 39 -6.456 -22.745 -3.436 1.00 0.00 C ATOM 557 NE ARG A 39 -6.753 -23.348 -4.733 1.00 0.00 N ATOM 558 CZ ARG A 39 -5.820 -23.787 -5.571 1.00 0.00 C ATOM 559 NH1 ARG A 39 -4.538 -23.692 -5.248 1.00 0.00 N ATOM 560 NH2 ARG A 39 -6.170 -24.323 -6.733 1.00 0.00 N ATOM 0 H ARG A 39 -8.368 -18.621 -2.154 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.200 -21.151 -0.854 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.615 -20.279 -2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.649 -21.592 -1.018 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.367 -22.748 -2.459 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.173 -21.473 -3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.628 -22.044 -3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.130 -23.520 -2.742 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.730 -23.437 -5.011 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.266 -23.281 -4.355 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.823 -24.030 -5.893 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.156 -24.398 -6.984 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.453 -24.660 -7.376 1.00 0.00 H new ATOM 574 N GLY A 40 -8.618 -18.728 0.708 1.00 0.00 N ATOM 575 CA GLY A 40 -8.267 -18.097 1.966 1.00 0.00 C ATOM 576 C GLY A 40 -6.773 -17.889 2.114 1.00 0.00 C ATOM 577 O GLY A 40 -6.247 -17.889 3.226 1.00 0.00 O ATOM 0 H GLY A 40 -9.370 -18.269 0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.774 -17.135 2.040 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.628 -18.712 2.790 1.00 0.00 H new ATOM 581 N GLU A 41 -6.087 -17.712 0.988 1.00 0.00 N ATOM 582 CA GLU A 41 -4.644 -17.505 0.998 1.00 0.00 C ATOM 583 C GLU A 41 -4.199 -16.717 -0.231 1.00 0.00 C ATOM 584 O GLU A 41 -4.395 -17.135 -1.372 1.00 0.00 O ATOM 585 CB GLU A 41 -3.914 -18.849 1.047 1.00 0.00 C ATOM 586 CG GLU A 41 -4.217 -19.750 -0.137 1.00 0.00 C ATOM 587 CD GLU A 41 -3.712 -21.166 0.062 1.00 0.00 C ATOM 588 OE1 GLU A 41 -2.494 -21.389 -0.101 1.00 0.00 O ATOM 589 OE2 GLU A 41 -4.533 -22.051 0.381 1.00 0.00 O ATOM 0 H GLU A 41 -6.508 -17.708 0.059 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.391 -16.930 1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.840 -18.668 1.089 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.186 -19.367 1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.294 -19.773 -0.305 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.763 -19.329 -1.034 1.00 0.00 H new ATOM 596 N PRO A 42 -3.587 -15.548 0.007 1.00 0.00 N ATOM 597 CA PRO A 42 -3.101 -14.676 -1.067 1.00 0.00 C ATOM 598 C PRO A 42 -1.901 -15.268 -1.797 1.00 0.00 C ATOM 599 O PRO A 42 -1.246 -16.181 -1.294 1.00 0.00 O ATOM 600 CB PRO A 42 -2.700 -13.395 -0.330 1.00 0.00 C ATOM 601 CG PRO A 42 -2.392 -13.838 1.058 1.00 0.00 C ATOM 602 CD PRO A 42 -3.320 -14.987 1.342 1.00 0.00 C ATOM 0 HA PRO A 42 -3.855 -14.522 -1.839 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.835 -12.924 -0.797 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.507 -12.662 -0.342 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.350 -14.147 1.147 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.546 -13.027 1.770 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.859 -15.722 2.002 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.237 -14.653 1.828 1.00 0.00 H new ATOM 610 N GLN A 43 -1.618 -14.743 -2.985 1.00 0.00 N ATOM 611 CA GLN A 43 -0.495 -15.222 -3.783 1.00 0.00 C ATOM 612 C GLN A 43 0.686 -14.261 -3.693 1.00 0.00 C ATOM 613 O GLN A 43 0.510 -13.067 -3.449 1.00 0.00 O ATOM 614 CB GLN A 43 -0.918 -15.393 -5.243 1.00 0.00 C ATOM 615 CG GLN A 43 -1.643 -16.701 -5.517 1.00 0.00 C ATOM 616 CD GLN A 43 -1.051 -17.868 -4.752 1.00 0.00 C ATOM 617 OE1 GLN A 43 0.275 -17.935 -4.705 1.00 0.00 O flip ATOM 618 NE2 GLN A 43 -1.777 -18.701 -4.208 1.00 0.00 N flip ATOM 0 H GLN A 43 -2.150 -13.987 -3.416 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.184 -16.188 -3.385 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.565 -14.562 -5.525 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.034 -15.337 -5.878 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.694 -16.592 -5.250 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.606 -16.916 -6.585 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.791 -18.611 -4.269 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.364 -19.481 -3.696 1.00 0.00 H new ATOM 627 N ASP A 44 1.888 -14.790 -3.890 1.00 0.00 N ATOM 628 CA ASP A 44 3.099 -13.980 -3.831 1.00 0.00 C ATOM 629 C ASP A 44 3.031 -12.829 -4.830 1.00 0.00 C ATOM 630 O ASP A 44 2.820 -13.040 -6.023 1.00 0.00 O ATOM 631 CB ASP A 44 4.330 -14.843 -4.111 1.00 0.00 C ATOM 632 CG ASP A 44 5.623 -14.057 -4.010 1.00 0.00 C ATOM 633 OD1 ASP A 44 5.793 -13.318 -3.018 1.00 0.00 O ATOM 634 OD2 ASP A 44 6.466 -14.183 -4.923 1.00 0.00 O ATOM 0 H ASP A 44 2.050 -15.777 -4.092 1.00 0.00 H new ATOM 0 HA ASP A 44 3.179 -13.562 -2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.357 -15.673 -3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.248 -15.275 -5.108 1.00 0.00 H new ATOM 639 N GLY A 45 3.212 -11.609 -4.333 1.00 0.00 N ATOM 640 CA GLY A 45 3.166 -10.442 -5.195 1.00 0.00 C ATOM 641 C GLY A 45 1.938 -9.588 -4.950 1.00 0.00 C ATOM 642 O GLY A 45 1.839 -8.470 -5.458 1.00 0.00 O ATOM 0 H GLY A 45 3.390 -11.408 -3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.061 -9.840 -5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.180 -10.763 -6.237 1.00 0.00 H new ATOM 646 N LEU A 46 1.000 -10.113 -4.170 1.00 0.00 N ATOM 647 CA LEU A 46 -0.229 -9.392 -3.859 1.00 0.00 C ATOM 648 C LEU A 46 0.079 -8.035 -3.233 1.00 0.00 C ATOM 649 O LEU A 46 0.453 -7.951 -2.063 1.00 0.00 O ATOM 650 CB LEU A 46 -1.103 -10.216 -2.912 1.00 0.00 C ATOM 651 CG LEU A 46 -2.609 -9.973 -3.006 1.00 0.00 C ATOM 652 CD1 LEU A 46 -3.090 -10.148 -4.438 1.00 0.00 C ATOM 653 CD2 LEU A 46 -3.360 -10.911 -2.071 1.00 0.00 C ATOM 0 H LEU A 46 1.067 -11.036 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.769 -9.228 -4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.913 -11.272 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.786 -10.014 -1.889 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.812 -8.947 -2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.165 -9.971 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.576 -9.436 -5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.874 -11.163 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.431 -10.724 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.151 -11.944 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.037 -10.737 -1.045 1.00 0.00 H new ATOM 665 N TYR A 47 -0.082 -6.977 -4.019 1.00 0.00 N ATOM 666 CA TYR A 47 0.179 -5.624 -3.542 1.00 0.00 C ATOM 667 C TYR A 47 -1.091 -4.779 -3.576 1.00 0.00 C ATOM 668 O TYR A 47 -2.070 -5.137 -4.233 1.00 0.00 O ATOM 669 CB TYR A 47 1.267 -4.963 -4.390 1.00 0.00 C ATOM 670 CG TYR A 47 0.838 -4.677 -5.811 1.00 0.00 C ATOM 671 CD1 TYR A 47 0.979 -5.636 -6.807 1.00 0.00 C ATOM 672 CD2 TYR A 47 0.289 -3.448 -6.158 1.00 0.00 C ATOM 673 CE1 TYR A 47 0.589 -5.379 -8.107 1.00 0.00 C ATOM 674 CE2 TYR A 47 -0.105 -3.183 -7.455 1.00 0.00 C ATOM 675 CZ TYR A 47 0.047 -4.151 -8.426 1.00 0.00 C ATOM 676 OH TYR A 47 -0.345 -3.891 -9.719 1.00 0.00 O ATOM 0 H TYR A 47 -0.392 -7.030 -4.989 1.00 0.00 H new ATOM 0 HA TYR A 47 0.522 -5.690 -2.509 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.568 -4.029 -3.916 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.145 -5.609 -4.408 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.401 -6.599 -6.560 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.169 -2.688 -5.401 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.708 -6.135 -8.869 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.530 -2.223 -7.708 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.707 -2.982 -9.775 1.00 0.00 H new ATOM 686 N CYS A 48 -1.067 -3.658 -2.865 1.00 0.00 N ATOM 687 CA CYS A 48 -2.216 -2.761 -2.813 1.00 0.00 C ATOM 688 C CYS A 48 -1.810 -1.386 -2.292 1.00 0.00 C ATOM 689 O CYS A 48 -0.629 -1.124 -2.060 1.00 0.00 O ATOM 690 CB CYS A 48 -3.311 -3.353 -1.925 1.00 0.00 C ATOM 691 SG CYS A 48 -3.169 -2.904 -0.179 1.00 0.00 S ATOM 0 H CYS A 48 -0.265 -3.348 -2.316 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.602 -2.646 -3.826 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.282 -3.024 -2.296 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.287 -4.439 -2.013 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.246 -3.269 0.452 1.00 0.00 H new ATOM 697 N ILE A 49 -2.794 -0.512 -2.112 1.00 0.00 N ATOM 698 CA ILE A 49 -2.538 0.835 -1.619 1.00 0.00 C ATOM 699 C ILE A 49 -3.586 1.254 -0.593 1.00 0.00 C ATOM 700 O ILE A 49 -4.759 1.430 -0.925 1.00 0.00 O ATOM 701 CB ILE A 49 -2.523 1.861 -2.768 1.00 0.00 C ATOM 702 CG1 ILE A 49 -1.448 1.495 -3.793 1.00 0.00 C ATOM 703 CG2 ILE A 49 -2.287 3.262 -2.224 1.00 0.00 C ATOM 704 CD1 ILE A 49 -1.609 2.207 -5.118 1.00 0.00 C ATOM 0 H ILE A 49 -3.776 -0.713 -2.300 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.556 0.816 -1.145 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.493 1.843 -3.264 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.468 1.732 -3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.471 0.419 -3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.279 3.976 -3.048 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.084 3.521 -1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.328 3.295 -1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.812 1.899 -5.795 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.575 1.951 -5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.556 3.284 -4.961 1.00 0.00 H new ATOM 716 N ARG A 50 -3.155 1.413 0.654 1.00 0.00 N ATOM 717 CA ARG A 50 -4.056 1.811 1.728 1.00 0.00 C ATOM 718 C ARG A 50 -3.755 3.235 2.190 1.00 0.00 C ATOM 719 O ARG A 50 -2.788 3.851 1.745 1.00 0.00 O ATOM 720 CB ARG A 50 -3.935 0.845 2.908 1.00 0.00 C ATOM 721 CG ARG A 50 -2.758 1.144 3.822 1.00 0.00 C ATOM 722 CD ARG A 50 -2.785 0.273 5.068 1.00 0.00 C ATOM 723 NE ARG A 50 -2.159 0.933 6.211 1.00 0.00 N ATOM 724 CZ ARG A 50 -0.846 1.085 6.344 1.00 0.00 C ATOM 725 NH1 ARG A 50 -0.025 0.628 5.409 1.00 0.00 N ATOM 726 NH2 ARG A 50 -0.353 1.697 7.413 1.00 0.00 N ATOM 0 H ARG A 50 -2.188 1.272 0.945 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.076 1.779 1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.855 0.880 3.491 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.838 -0.171 2.526 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.826 0.980 3.282 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.778 2.195 4.111 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.817 0.024 5.314 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.270 -0.666 4.865 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.763 1.297 6.948 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.401 0.159 4.585 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.983 0.746 5.513 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.982 2.051 8.133 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.655 1.813 7.514 1.00 0.00 H new ATOM 740 N ASN A 51 -4.593 3.751 3.084 1.00 0.00 N ATOM 741 CA ASN A 51 -4.418 5.102 3.604 1.00 0.00 C ATOM 742 C ASN A 51 -3.740 5.074 4.971 1.00 0.00 C ATOM 743 O ASN A 51 -3.898 4.122 5.735 1.00 0.00 O ATOM 744 CB ASN A 51 -5.770 5.810 3.708 1.00 0.00 C ATOM 745 CG ASN A 51 -6.227 6.379 2.379 1.00 0.00 C ATOM 746 OD1 ASN A 51 -6.766 5.521 1.521 1.00 0.00 O flip ATOM 747 ND2 ASN A 51 -6.097 7.577 2.126 1.00 0.00 N flip ATOM 0 H ASN A 51 -5.399 3.254 3.463 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.780 5.652 2.912 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.518 5.108 4.076 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.701 6.614 4.440 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.677 8.201 2.815 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.409 7.945 1.228 1.00 0.00 H new ATOM 830 N LYS A 58 -0.948 7.909 1.367 1.00 0.00 N ATOM 831 CA LYS A 58 -1.116 6.507 1.002 1.00 0.00 C ATOM 832 C LYS A 58 0.132 5.701 1.350 1.00 0.00 C ATOM 833 O LYS A 58 1.234 6.245 1.422 1.00 0.00 O ATOM 834 CB LYS A 58 -1.418 6.379 -0.492 1.00 0.00 C ATOM 835 CG LYS A 58 -2.774 6.937 -0.889 1.00 0.00 C ATOM 836 CD LYS A 58 -3.888 5.941 -0.613 1.00 0.00 C ATOM 837 CE LYS A 58 -5.073 6.159 -1.542 1.00 0.00 C ATOM 838 NZ LYS A 58 -6.082 5.071 -1.418 1.00 0.00 N ATOM 0 HA LYS A 58 -1.956 6.108 1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.642 6.896 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.370 5.327 -0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.964 7.859 -0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.767 7.193 -1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.509 4.926 -0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.214 6.036 0.423 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.542 7.117 -1.315 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.722 6.213 -2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.897 5.282 -2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.656 4.168 -1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.399 5.002 -0.430 1.00 0.00 H new ATOM 852 N VAL A 59 -0.049 4.402 1.564 1.00 0.00 N ATOM 853 CA VAL A 59 1.063 3.521 1.902 1.00 0.00 C ATOM 854 C VAL A 59 0.985 2.213 1.122 1.00 0.00 C ATOM 855 O VAL A 59 0.041 1.438 1.282 1.00 0.00 O ATOM 856 CB VAL A 59 1.092 3.206 3.409 1.00 0.00 C ATOM 857 CG1 VAL A 59 2.271 2.305 3.744 1.00 0.00 C ATOM 858 CG2 VAL A 59 1.145 4.492 4.221 1.00 0.00 C ATOM 0 H VAL A 59 -0.955 3.936 1.509 1.00 0.00 H new ATOM 0 HA VAL A 59 1.978 4.048 1.631 1.00 0.00 H new ATOM 0 HB VAL A 59 0.176 2.676 3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.275 2.093 4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.184 1.371 3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.200 2.805 3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.165 4.251 5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.043 5.051 3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.265 5.097 4.003 1.00 0.00 H new ATOM 868 N LEU A 60 1.982 1.974 0.277 1.00 0.00 N ATOM 869 CA LEU A 60 2.027 0.759 -0.529 1.00 0.00 C ATOM 870 C LEU A 60 2.297 -0.463 0.343 1.00 0.00 C ATOM 871 O LEU A 60 3.343 -0.562 0.985 1.00 0.00 O ATOM 872 CB LEU A 60 3.104 0.879 -1.608 1.00 0.00 C ATOM 873 CG LEU A 60 3.627 -0.438 -2.184 1.00 0.00 C ATOM 874 CD1 LEU A 60 2.572 -1.092 -3.063 1.00 0.00 C ATOM 875 CD2 LEU A 60 4.909 -0.205 -2.970 1.00 0.00 C ATOM 0 H LEU A 60 2.770 2.605 0.132 1.00 0.00 H new ATOM 0 HA LEU A 60 1.056 0.633 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.705 1.477 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.947 1.431 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 60 3.850 -1.111 -1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.962 -2.028 -3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.680 -1.295 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.318 -0.423 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.266 -1.153 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.713 0.486 -3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.667 0.219 -2.312 1.00 0.00 H new ATOM 887 N VAL A 61 1.348 -1.393 0.360 1.00 0.00 N ATOM 888 CA VAL A 61 1.485 -2.611 1.151 1.00 0.00 C ATOM 889 C VAL A 61 1.532 -3.844 0.256 1.00 0.00 C ATOM 890 O VAL A 61 0.582 -4.133 -0.472 1.00 0.00 O ATOM 891 CB VAL A 61 0.326 -2.762 2.154 1.00 0.00 C ATOM 892 CG1 VAL A 61 0.282 -4.177 2.709 1.00 0.00 C ATOM 893 CG2 VAL A 61 0.459 -1.744 3.277 1.00 0.00 C ATOM 0 H VAL A 61 0.476 -1.327 -0.165 1.00 0.00 H new ATOM 0 HA VAL A 61 2.423 -2.528 1.701 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.612 -2.573 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.543 -4.265 3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.137 -4.884 1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.221 -4.398 3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.368 -1.864 3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.403 -1.900 3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.438 -0.737 2.860 1.00 0.00 H new ATOM 903 N VAL A 62 2.644 -4.571 0.316 1.00 0.00 N ATOM 904 CA VAL A 62 2.814 -5.775 -0.487 1.00 0.00 C ATOM 905 C VAL A 62 2.750 -7.028 0.379 1.00 0.00 C ATOM 906 O VAL A 62 3.122 -7.002 1.553 1.00 0.00 O ATOM 907 CB VAL A 62 4.154 -5.758 -1.247 1.00 0.00 C ATOM 908 CG1 VAL A 62 4.103 -6.697 -2.442 1.00 0.00 C ATOM 909 CG2 VAL A 62 4.500 -4.343 -1.685 1.00 0.00 C ATOM 0 H VAL A 62 3.440 -4.346 0.913 1.00 0.00 H new ATOM 0 HA VAL A 62 1.996 -5.793 -1.207 1.00 0.00 H new ATOM 0 HB VAL A 62 4.937 -6.108 -0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.058 -6.671 -2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.905 -7.712 -2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.309 -6.381 -3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.449 -4.350 -2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.716 -3.963 -2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.582 -3.701 -0.808 1.00 0.00 H new ATOM 919 N TRP A 63 2.277 -8.122 -0.206 1.00 0.00 N ATOM 920 CA TRP A 63 2.165 -9.386 0.513 1.00 0.00 C ATOM 921 C TRP A 63 3.449 -10.197 0.391 1.00 0.00 C ATOM 922 O TRP A 63 4.036 -10.290 -0.687 1.00 0.00 O ATOM 923 CB TRP A 63 0.982 -10.196 -0.020 1.00 0.00 C ATOM 924 CG TRP A 63 0.962 -11.611 0.472 1.00 0.00 C ATOM 925 CD1 TRP A 63 1.160 -12.740 -0.271 1.00 0.00 C ATOM 926 CD2 TRP A 63 0.728 -12.048 1.815 1.00 0.00 C ATOM 927 NE1 TRP A 63 1.064 -13.853 0.530 1.00 0.00 N ATOM 928 CE2 TRP A 63 0.800 -13.455 1.814 1.00 0.00 C ATOM 929 CE3 TRP A 63 0.468 -11.388 3.019 1.00 0.00 C ATOM 930 CZ2 TRP A 63 0.620 -14.210 2.970 1.00 0.00 C ATOM 931 CZ3 TRP A 63 0.288 -12.139 4.165 1.00 0.00 C ATOM 932 CH2 TRP A 63 0.366 -13.538 4.134 1.00 0.00 C ATOM 0 H TRP A 63 1.965 -8.160 -1.176 1.00 0.00 H new ATOM 0 HA TRP A 63 1.998 -9.163 1.567 1.00 0.00 H new ATOM 0 HB2 TRP A 63 0.054 -9.704 0.271 1.00 0.00 H new ATOM 0 HB3 TRP A 63 1.014 -10.198 -1.110 1.00 0.00 H new ATOM 0 HD1 TRP A 63 1.362 -12.756 -1.332 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.172 -14.818 0.219 1.00 0.00 H new ATOM 0 HE3 TRP A 63 0.409 -10.310 3.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 0.679 -15.288 2.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 0.084 -11.639 5.100 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.223 -14.097 5.047 1.00 0.00 H new ATOM 943 N ASP A 64 3.881 -10.784 1.502 1.00 0.00 N ATOM 944 CA ASP A 64 5.096 -11.590 1.519 1.00 0.00 C ATOM 945 C ASP A 64 4.762 -13.075 1.613 1.00 0.00 C ATOM 946 O ASP A 64 4.393 -13.571 2.676 1.00 0.00 O ATOM 947 CB ASP A 64 5.989 -11.180 2.691 1.00 0.00 C ATOM 948 CG ASP A 64 7.369 -11.805 2.614 1.00 0.00 C ATOM 949 OD1 ASP A 64 7.517 -12.832 1.919 1.00 0.00 O ATOM 950 OD2 ASP A 64 8.300 -11.266 3.247 1.00 0.00 O ATOM 0 H ASP A 64 3.407 -10.717 2.403 1.00 0.00 H new ATOM 0 HA ASP A 64 5.631 -11.415 0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.085 -10.094 2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.513 -11.472 3.627 1.00 0.00 H new ATOM 955 N GLU A 65 4.894 -13.779 0.492 1.00 0.00 N ATOM 956 CA GLU A 65 4.604 -15.207 0.449 1.00 0.00 C ATOM 957 C GLU A 65 5.681 -16.003 1.181 1.00 0.00 C ATOM 958 O GLU A 65 5.398 -17.030 1.798 1.00 0.00 O ATOM 959 CB GLU A 65 4.497 -15.685 -1.000 1.00 0.00 C ATOM 960 CG GLU A 65 4.386 -17.194 -1.137 1.00 0.00 C ATOM 961 CD GLU A 65 5.729 -17.889 -1.030 1.00 0.00 C ATOM 962 OE1 GLU A 65 6.664 -17.492 -1.756 1.00 0.00 O ATOM 963 OE2 GLU A 65 5.845 -18.832 -0.219 1.00 0.00 O ATOM 0 H GLU A 65 5.200 -13.383 -0.397 1.00 0.00 H new ATOM 0 HA GLU A 65 3.650 -15.373 0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.626 -15.222 -1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.372 -15.342 -1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.720 -17.577 -0.364 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.931 -17.436 -2.098 1.00 0.00 H new ATOM 970 N THR A 66 6.918 -15.522 1.105 1.00 0.00 N ATOM 971 CA THR A 66 8.038 -16.188 1.758 1.00 0.00 C ATOM 972 C THR A 66 7.967 -16.029 3.272 1.00 0.00 C ATOM 973 O THR A 66 8.345 -16.930 4.019 1.00 0.00 O ATOM 974 CB THR A 66 9.387 -15.638 1.258 1.00 0.00 C ATOM 975 OG1 THR A 66 9.483 -14.239 1.547 1.00 0.00 O ATOM 976 CG2 THR A 66 9.543 -15.864 -0.238 1.00 0.00 C ATOM 0 H THR A 66 7.169 -14.674 0.598 1.00 0.00 H new ATOM 0 HA THR A 66 7.968 -17.246 1.504 1.00 0.00 H new ATOM 0 HB THR A 66 10.185 -16.171 1.775 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.614 -13.813 1.394 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.503 -15.467 -0.568 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.499 -16.932 -0.451 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.739 -15.355 -0.769 1.00 0.00 H new ATOM 984 N SER A 67 7.478 -14.876 3.718 1.00 0.00 N ATOM 985 CA SER A 67 7.360 -14.597 5.145 1.00 0.00 C ATOM 986 C SER A 67 5.904 -14.673 5.594 1.00 0.00 C ATOM 987 O SER A 67 5.601 -14.537 6.779 1.00 0.00 O ATOM 988 CB SER A 67 7.933 -13.215 5.465 1.00 0.00 C ATOM 989 OG SER A 67 9.321 -13.161 5.185 1.00 0.00 O ATOM 0 H SER A 67 7.157 -14.120 3.112 1.00 0.00 H new ATOM 0 HA SER A 67 7.929 -15.352 5.687 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.411 -12.457 4.880 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.761 -12.981 6.516 1.00 0.00 H new ATOM 0 HG SER A 67 9.483 -12.528 4.455 1.00 0.00 H new ATOM 995 N ASN A 68 5.007 -14.891 4.639 1.00 0.00 N ATOM 996 CA ASN A 68 3.582 -14.985 4.935 1.00 0.00 C ATOM 997 C ASN A 68 3.123 -13.801 5.781 1.00 0.00 C ATOM 998 O ASN A 68 2.444 -13.973 6.793 1.00 0.00 O ATOM 999 CB ASN A 68 3.276 -16.296 5.663 1.00 0.00 C ATOM 1000 CG ASN A 68 1.796 -16.470 5.943 1.00 0.00 C ATOM 1001 OD1 ASN A 68 0.988 -16.588 5.021 1.00 0.00 O ATOM 1002 ND2 ASN A 68 1.434 -16.487 7.221 1.00 0.00 N ATOM 0 H ASN A 68 5.241 -15.006 3.653 1.00 0.00 H new ATOM 0 HA ASN A 68 3.038 -14.967 3.991 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.630 -17.133 5.062 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.827 -16.323 6.603 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.452 -16.601 7.471 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.138 -16.386 7.952 1.00 0.00 H new ATOM 1009 N LYS A 69 3.498 -12.599 5.359 1.00 0.00 N ATOM 1010 CA LYS A 69 3.125 -11.385 6.075 1.00 0.00 C ATOM 1011 C LYS A 69 3.110 -10.182 5.137 1.00 0.00 C ATOM 1012 O LYS A 69 3.729 -10.205 4.073 1.00 0.00 O ATOM 1013 CB LYS A 69 4.095 -11.131 7.231 1.00 0.00 C ATOM 1014 CG LYS A 69 5.541 -10.978 6.790 1.00 0.00 C ATOM 1015 CD LYS A 69 6.447 -10.630 7.959 1.00 0.00 C ATOM 1016 CE LYS A 69 6.466 -9.132 8.222 1.00 0.00 C ATOM 1017 NZ LYS A 69 7.089 -8.808 9.536 1.00 0.00 N ATOM 0 H LYS A 69 4.061 -12.439 4.524 1.00 0.00 H new ATOM 0 HA LYS A 69 2.121 -11.524 6.475 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.788 -10.229 7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.026 -11.956 7.940 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.881 -11.905 6.328 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.610 -10.199 6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.107 -11.153 8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.459 -10.977 7.752 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.016 -8.630 7.426 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.447 -8.746 8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.083 -7.778 9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.550 -9.266 10.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.070 -9.154 9.550 1.00 0.00 H new ATOM 1031 N VAL A 70 2.400 -9.133 5.539 1.00 0.00 N ATOM 1032 CA VAL A 70 2.307 -7.920 4.735 1.00 0.00 C ATOM 1033 C VAL A 70 3.451 -6.962 5.051 1.00 0.00 C ATOM 1034 O VAL A 70 4.028 -7.005 6.138 1.00 0.00 O ATOM 1035 CB VAL A 70 0.967 -7.196 4.965 1.00 0.00 C ATOM 1036 CG1 VAL A 70 -0.200 -8.126 4.673 1.00 0.00 C ATOM 1037 CG2 VAL A 70 0.889 -6.659 6.386 1.00 0.00 C ATOM 0 H VAL A 70 1.881 -9.098 6.416 1.00 0.00 H new ATOM 0 HA VAL A 70 2.372 -8.226 3.691 1.00 0.00 H new ATOM 0 HB VAL A 70 0.908 -6.352 4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.138 -7.597 4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.151 -8.457 3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.149 -8.992 5.333 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.064 -6.151 6.531 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.971 -7.485 7.092 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.705 -5.956 6.555 1.00 0.00 H new ATOM 1047 N ARG A 71 3.773 -6.098 4.094 1.00 0.00 N ATOM 1048 CA ARG A 71 4.848 -5.129 4.270 1.00 0.00 C ATOM 1049 C ARG A 71 4.293 -3.711 4.357 1.00 0.00 C ATOM 1050 O ARG A 71 3.088 -3.496 4.233 1.00 0.00 O ATOM 1051 CB ARG A 71 5.847 -5.228 3.115 1.00 0.00 C ATOM 1052 CG ARG A 71 6.411 -6.625 2.916 1.00 0.00 C ATOM 1053 CD ARG A 71 7.574 -6.895 3.858 1.00 0.00 C ATOM 1054 NE ARG A 71 8.457 -5.739 3.983 1.00 0.00 N ATOM 1055 CZ ARG A 71 8.441 -4.910 5.021 1.00 0.00 C ATOM 1056 NH1 ARG A 71 7.591 -5.109 6.019 1.00 0.00 N ATOM 1057 NH2 ARG A 71 9.276 -3.880 5.062 1.00 0.00 N ATOM 0 H ARG A 71 3.305 -6.049 3.189 1.00 0.00 H new ATOM 0 HA ARG A 71 5.360 -5.358 5.205 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.358 -4.908 2.195 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.669 -4.536 3.297 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.626 -7.363 3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.742 -6.741 1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.189 -7.165 4.841 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.145 -7.749 3.494 1.00 0.00 H new ATOM 0 HE ARG A 71 9.123 -5.558 3.232 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.948 -5.900 5.991 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.581 -4.471 6.815 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.931 -3.724 4.296 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.263 -3.244 5.859 1.00 0.00 H new ATOM 1071 N ASN A 72 5.182 -2.745 4.570 1.00 0.00 N ATOM 1072 CA ASN A 72 4.781 -1.347 4.674 1.00 0.00 C ATOM 1073 C ASN A 72 5.735 -0.447 3.896 1.00 0.00 C ATOM 1074 O ASN A 72 6.905 -0.309 4.254 1.00 0.00 O ATOM 1075 CB ASN A 72 4.738 -0.915 6.142 1.00 0.00 C ATOM 1076 CG ASN A 72 5.730 -1.678 6.998 1.00 0.00 C ATOM 1077 OD1 ASN A 72 6.908 -1.327 7.066 1.00 0.00 O ATOM 1078 ND2 ASN A 72 5.257 -2.729 7.657 1.00 0.00 N ATOM 0 H ASN A 72 6.184 -2.905 4.674 1.00 0.00 H new ATOM 0 HA ASN A 72 3.785 -1.248 4.243 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.949 0.152 6.210 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.732 -1.067 6.533 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.877 -3.281 8.249 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.273 -2.984 7.571 1.00 0.00 H new ATOM 1085 N TYR A 73 5.228 0.161 2.829 1.00 0.00 N ATOM 1086 CA TYR A 73 6.036 1.046 1.998 1.00 0.00 C ATOM 1087 C TYR A 73 5.408 2.434 1.909 1.00 0.00 C ATOM 1088 O TYR A 73 4.530 2.678 1.081 1.00 0.00 O ATOM 1089 CB TYR A 73 6.198 0.456 0.596 1.00 0.00 C ATOM 1090 CG TYR A 73 6.960 -0.849 0.573 1.00 0.00 C ATOM 1091 CD1 TYR A 73 8.349 -0.865 0.548 1.00 0.00 C ATOM 1092 CD2 TYR A 73 6.291 -2.067 0.577 1.00 0.00 C ATOM 1093 CE1 TYR A 73 9.050 -2.055 0.526 1.00 0.00 C ATOM 1094 CE2 TYR A 73 6.983 -3.262 0.556 1.00 0.00 C ATOM 1095 CZ TYR A 73 8.362 -3.251 0.530 1.00 0.00 C ATOM 1096 OH TYR A 73 9.056 -4.439 0.510 1.00 0.00 O ATOM 0 H TYR A 73 4.262 0.057 2.519 1.00 0.00 H new ATOM 0 HA TYR A 73 7.018 1.141 2.461 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.211 0.299 0.161 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.713 1.179 -0.036 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.890 0.070 0.546 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.211 -2.079 0.597 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.130 -2.049 0.506 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.447 -4.200 0.560 1.00 0.00 H new ATOM 0 HH TYR A 73 10.005 -4.267 0.686 1.00 0.00 H new ATOM 1106 N ARG A 74 5.865 3.339 2.768 1.00 0.00 N ATOM 1107 CA ARG A 74 5.348 4.703 2.787 1.00 0.00 C ATOM 1108 C ARG A 74 5.515 5.367 1.424 1.00 0.00 C ATOM 1109 O ARG A 74 6.591 5.318 0.826 1.00 0.00 O ATOM 1110 CB ARG A 74 6.065 5.526 3.859 1.00 0.00 C ATOM 1111 CG ARG A 74 5.388 5.476 5.219 1.00 0.00 C ATOM 1112 CD ARG A 74 5.671 6.732 6.029 1.00 0.00 C ATOM 1113 NE ARG A 74 5.652 6.472 7.466 1.00 0.00 N ATOM 1114 CZ ARG A 74 6.243 7.255 8.362 1.00 0.00 C ATOM 1115 NH1 ARG A 74 6.895 8.341 7.971 1.00 0.00 N ATOM 1116 NH2 ARG A 74 6.182 6.952 9.652 1.00 0.00 N ATOM 0 H ARG A 74 6.591 3.153 3.459 1.00 0.00 H new ATOM 0 HA ARG A 74 4.284 4.659 3.022 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.088 5.165 3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.124 6.563 3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.312 5.362 5.087 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.737 4.601 5.768 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.644 7.134 5.746 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.929 7.493 5.788 1.00 0.00 H new ATOM 0 HE ARG A 74 5.158 5.644 7.800 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.944 8.577 6.980 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.348 8.940 8.661 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.681 6.117 9.957 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.636 7.554 10.339 1.00 0.00 H new ATOM 1130 N ILE A 75 4.445 5.986 0.938 1.00 0.00 N ATOM 1131 CA ILE A 75 4.473 6.660 -0.354 1.00 0.00 C ATOM 1132 C ILE A 75 4.587 8.171 -0.183 1.00 0.00 C ATOM 1133 O ILE A 75 3.587 8.888 -0.215 1.00 0.00 O ATOM 1134 CB ILE A 75 3.215 6.342 -1.183 1.00 0.00 C ATOM 1135 CG1 ILE A 75 3.066 4.830 -1.366 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.279 7.040 -2.533 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.694 4.411 -1.845 1.00 0.00 C ATOM 0 H ILE A 75 3.547 6.035 1.420 1.00 0.00 H new ATOM 0 HA ILE A 75 5.350 6.289 -0.884 1.00 0.00 H new ATOM 0 HB ILE A 75 2.342 6.712 -0.646 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.813 4.483 -2.080 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.278 4.335 -0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.383 6.805 -3.107 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.342 8.118 -2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.159 6.698 -3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.662 3.327 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.944 4.727 -1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.487 4.877 -2.808 1.00 0.00 H new ATOM 1149 N PHE A 76 5.814 8.650 -0.003 1.00 0.00 N ATOM 1150 CA PHE A 76 6.060 10.076 0.171 1.00 0.00 C ATOM 1151 C PHE A 76 5.711 10.848 -1.098 1.00 0.00 C ATOM 1152 O PHE A 76 5.871 10.341 -2.208 1.00 0.00 O ATOM 1153 CB PHE A 76 7.523 10.321 0.545 1.00 0.00 C ATOM 1154 CG PHE A 76 7.966 9.564 1.764 1.00 0.00 C ATOM 1155 CD1 PHE A 76 7.648 10.020 3.033 1.00 0.00 C ATOM 1156 CD2 PHE A 76 8.700 8.395 1.641 1.00 0.00 C ATOM 1157 CE1 PHE A 76 8.054 9.325 4.157 1.00 0.00 C ATOM 1158 CE2 PHE A 76 9.108 7.696 2.761 1.00 0.00 C ATOM 1159 CZ PHE A 76 8.786 8.162 4.020 1.00 0.00 C ATOM 0 H PHE A 76 6.653 8.071 0.026 1.00 0.00 H new ATOM 0 HA PHE A 76 5.421 10.433 0.979 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.156 10.041 -0.297 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.672 11.387 0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.076 10.929 3.145 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.956 8.026 0.659 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.799 9.691 5.141 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.679 6.786 2.651 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.106 7.618 4.896 1.00 0.00 H new ATOM 1169 N GLU A 77 5.232 12.076 -0.924 1.00 0.00 N ATOM 1170 CA GLU A 77 4.859 12.917 -2.055 1.00 0.00 C ATOM 1171 C GLU A 77 5.826 14.088 -2.205 1.00 0.00 C ATOM 1172 O GLU A 77 5.799 15.035 -1.419 1.00 0.00 O ATOM 1173 CB GLU A 77 3.432 13.439 -1.882 1.00 0.00 C ATOM 1174 CG GLU A 77 2.895 14.161 -3.107 1.00 0.00 C ATOM 1175 CD GLU A 77 1.741 15.088 -2.779 1.00 0.00 C ATOM 1176 OE1 GLU A 77 1.909 15.957 -1.898 1.00 0.00 O ATOM 1177 OE2 GLU A 77 0.669 14.945 -3.404 1.00 0.00 O ATOM 0 H GLU A 77 5.093 12.510 -0.011 1.00 0.00 H new ATOM 0 HA GLU A 77 4.909 12.309 -2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.774 12.602 -1.646 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.403 14.117 -1.029 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.699 14.736 -3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.568 13.426 -3.843 1.00 0.00 H new ATOM 1184 N LYS A 78 6.681 14.016 -3.220 1.00 0.00 N ATOM 1185 CA LYS A 78 7.657 15.069 -3.475 1.00 0.00 C ATOM 1186 C LYS A 78 7.665 15.457 -4.950 1.00 0.00 C ATOM 1187 O LYS A 78 7.661 14.594 -5.829 1.00 0.00 O ATOM 1188 CB LYS A 78 9.054 14.612 -3.049 1.00 0.00 C ATOM 1189 CG LYS A 78 10.176 15.404 -3.696 1.00 0.00 C ATOM 1190 CD LYS A 78 11.536 14.802 -3.383 1.00 0.00 C ATOM 1191 CE LYS A 78 12.008 15.186 -1.989 1.00 0.00 C ATOM 1192 NZ LYS A 78 12.937 14.171 -1.419 1.00 0.00 N ATOM 0 H LYS A 78 6.718 13.239 -3.880 1.00 0.00 H new ATOM 0 HA LYS A 78 7.373 15.943 -2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.140 14.695 -1.966 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.174 13.558 -3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.028 15.430 -4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.144 16.435 -3.345 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.482 13.716 -3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.263 15.141 -4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.508 16.154 -2.028 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.146 15.299 -1.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.236 14.469 -0.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.453 13.253 -1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.772 14.081 -2.032 1.00 0.00 H new ATOM 1206 N ASP A 79 7.679 16.759 -5.215 1.00 0.00 N ATOM 1207 CA ASP A 79 7.691 17.260 -6.584 1.00 0.00 C ATOM 1208 C ASP A 79 6.558 16.644 -7.399 1.00 0.00 C ATOM 1209 O ASP A 79 6.660 16.506 -8.618 1.00 0.00 O ATOM 1210 CB ASP A 79 9.035 16.960 -7.248 1.00 0.00 C ATOM 1211 CG ASP A 79 10.043 18.075 -7.045 1.00 0.00 C ATOM 1212 OD1 ASP A 79 9.729 19.231 -7.398 1.00 0.00 O ATOM 1213 OD2 ASP A 79 11.145 17.791 -6.532 1.00 0.00 O ATOM 0 H ASP A 79 7.682 17.486 -4.500 1.00 0.00 H new ATOM 0 HA ASP A 79 7.544 18.340 -6.550 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.438 16.032 -6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.882 16.802 -8.316 1.00 0.00 H new ATOM 1218 N SER A 80 5.479 16.273 -6.717 1.00 0.00 N ATOM 1219 CA SER A 80 4.328 15.667 -7.377 1.00 0.00 C ATOM 1220 C SER A 80 4.681 14.285 -7.921 1.00 0.00 C ATOM 1221 O SER A 80 4.114 13.834 -8.916 1.00 0.00 O ATOM 1222 CB SER A 80 3.834 16.564 -8.513 1.00 0.00 C ATOM 1223 OG SER A 80 2.533 16.187 -8.931 1.00 0.00 O ATOM 0 H SER A 80 5.378 16.381 -5.708 1.00 0.00 H new ATOM 0 HA SER A 80 3.533 15.557 -6.640 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.827 17.603 -8.183 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.523 16.502 -9.356 1.00 0.00 H new ATOM 0 HG SER A 80 2.508 15.221 -9.092 1.00 0.00 H new ATOM 1229 N LYS A 81 5.620 13.618 -7.260 1.00 0.00 N ATOM 1230 CA LYS A 81 6.049 12.288 -7.674 1.00 0.00 C ATOM 1231 C LYS A 81 6.122 11.343 -6.479 1.00 0.00 C ATOM 1232 O LYS A 81 6.820 11.614 -5.502 1.00 0.00 O ATOM 1233 CB LYS A 81 7.414 12.361 -8.363 1.00 0.00 C ATOM 1234 CG LYS A 81 7.462 13.351 -9.514 1.00 0.00 C ATOM 1235 CD LYS A 81 8.451 12.917 -10.583 1.00 0.00 C ATOM 1236 CE LYS A 81 8.929 14.099 -11.412 1.00 0.00 C ATOM 1237 NZ LYS A 81 9.939 14.915 -10.683 1.00 0.00 N ATOM 0 H LYS A 81 6.099 13.977 -6.434 1.00 0.00 H new ATOM 0 HA LYS A 81 5.313 11.900 -8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.169 12.636 -7.627 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.677 11.371 -8.735 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.469 13.448 -9.953 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.741 14.335 -9.137 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.306 12.431 -10.113 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.983 12.179 -11.235 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.360 13.737 -12.346 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.077 14.726 -11.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.327 15.639 -11.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.489 15.378 -9.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.708 14.299 -10.350 1.00 0.00 H new ATOM 1251 N PHE A 82 5.397 10.232 -6.564 1.00 0.00 N ATOM 1252 CA PHE A 82 5.380 9.246 -5.489 1.00 0.00 C ATOM 1253 C PHE A 82 6.720 8.523 -5.393 1.00 0.00 C ATOM 1254 O PHE A 82 7.176 7.908 -6.357 1.00 0.00 O ATOM 1255 CB PHE A 82 4.256 8.233 -5.715 1.00 0.00 C ATOM 1256 CG PHE A 82 2.932 8.868 -6.034 1.00 0.00 C ATOM 1257 CD1 PHE A 82 2.256 9.608 -5.077 1.00 0.00 C ATOM 1258 CD2 PHE A 82 2.365 8.726 -7.290 1.00 0.00 C ATOM 1259 CE1 PHE A 82 1.037 10.192 -5.367 1.00 0.00 C ATOM 1260 CE2 PHE A 82 1.147 9.308 -7.586 1.00 0.00 C ATOM 1261 CZ PHE A 82 0.483 10.043 -6.623 1.00 0.00 C ATOM 0 H PHE A 82 4.814 9.992 -7.366 1.00 0.00 H new ATOM 0 HA PHE A 82 5.203 9.771 -4.551 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.537 7.567 -6.531 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.149 7.616 -4.823 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.686 9.730 -4.094 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.881 8.154 -8.047 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.519 10.764 -4.612 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.715 9.188 -8.569 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.468 10.500 -6.852 1.00 0.00 H new ATOM 1271 N TYR A 83 7.345 8.601 -4.224 1.00 0.00 N ATOM 1272 CA TYR A 83 8.634 7.957 -4.002 1.00 0.00 C ATOM 1273 C TYR A 83 8.677 7.280 -2.635 1.00 0.00 C ATOM 1274 O TYR A 83 7.880 7.593 -1.749 1.00 0.00 O ATOM 1275 CB TYR A 83 9.766 8.981 -4.112 1.00 0.00 C ATOM 1276 CG TYR A 83 9.940 9.826 -2.870 1.00 0.00 C ATOM 1277 CD1 TYR A 83 10.768 9.411 -1.834 1.00 0.00 C ATOM 1278 CD2 TYR A 83 9.276 11.038 -2.731 1.00 0.00 C ATOM 1279 CE1 TYR A 83 10.930 10.179 -0.698 1.00 0.00 C ATOM 1280 CE2 TYR A 83 9.433 11.814 -1.599 1.00 0.00 C ATOM 1281 CZ TYR A 83 10.261 11.380 -0.585 1.00 0.00 C ATOM 1282 OH TYR A 83 10.419 12.149 0.546 1.00 0.00 O ATOM 0 H TYR A 83 6.980 9.104 -3.415 1.00 0.00 H new ATOM 0 HA TYR A 83 8.767 7.195 -4.770 1.00 0.00 H new ATOM 0 HB2 TYR A 83 10.699 8.458 -4.319 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.572 9.635 -4.962 1.00 0.00 H new ATOM 0 HD1 TYR A 83 11.294 8.472 -1.919 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.625 11.380 -3.522 1.00 0.00 H new ATOM 0 HE1 TYR A 83 11.577 9.841 0.098 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.911 12.755 -1.509 1.00 0.00 H new ATOM 0 HH TYR A 83 9.880 12.963 0.466 1.00 0.00 H new ATOM 1292 N LEU A 84 9.612 6.351 -2.472 1.00 0.00 N ATOM 1293 CA LEU A 84 9.761 5.629 -1.213 1.00 0.00 C ATOM 1294 C LEU A 84 11.158 5.828 -0.633 1.00 0.00 C ATOM 1295 O LEU A 84 11.334 5.869 0.584 1.00 0.00 O ATOM 1296 CB LEU A 84 9.491 4.138 -1.423 1.00 0.00 C ATOM 1297 CG LEU A 84 8.330 3.791 -2.356 1.00 0.00 C ATOM 1298 CD1 LEU A 84 8.182 2.283 -2.485 1.00 0.00 C ATOM 1299 CD2 LEU A 84 7.037 4.414 -1.852 1.00 0.00 C ATOM 0 H LEU A 84 10.278 6.080 -3.195 1.00 0.00 H new ATOM 0 HA LEU A 84 9.034 6.028 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.397 3.677 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.298 3.684 -0.451 1.00 0.00 H new ATOM 0 HG LEU A 84 8.547 4.200 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.351 2.055 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.101 1.861 -2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.988 1.851 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.222 4.157 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.815 4.035 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.147 5.498 -1.812 1.00 0.00 H new ATOM 1311 N GLU A 85 12.146 5.952 -1.513 1.00 0.00 N ATOM 1312 CA GLU A 85 13.527 6.148 -1.087 1.00 0.00 C ATOM 1313 C GLU A 85 13.810 7.624 -0.821 1.00 0.00 C ATOM 1314 O GLU A 85 14.024 8.031 0.320 1.00 0.00 O ATOM 1315 CB GLU A 85 14.492 5.616 -2.148 1.00 0.00 C ATOM 1316 CG GLU A 85 14.034 4.317 -2.790 1.00 0.00 C ATOM 1317 CD GLU A 85 14.523 3.092 -2.042 1.00 0.00 C ATOM 1318 OE1 GLU A 85 15.678 2.676 -2.275 1.00 0.00 O ATOM 1319 OE2 GLU A 85 13.751 2.549 -1.224 1.00 0.00 O ATOM 0 H GLU A 85 12.016 5.920 -2.524 1.00 0.00 H new ATOM 0 HA GLU A 85 13.676 5.594 -0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 85 14.617 6.371 -2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 85 15.470 5.461 -1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.945 4.301 -2.832 1.00 0.00 H new ATOM 0 HG3 GLU A 85 14.394 4.278 -3.818 1.00 0.00 H new ATOM 1326 N GLY A 86 13.810 8.422 -1.885 1.00 0.00 N ATOM 1327 CA GLY A 86 14.068 9.843 -1.747 1.00 0.00 C ATOM 1328 C GLY A 86 14.532 10.477 -3.043 1.00 0.00 C ATOM 1329 O GLY A 86 14.231 11.639 -3.316 1.00 0.00 O ATOM 0 H GLY A 86 13.636 8.109 -2.840 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.161 10.342 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.825 9.999 -0.979 1.00 0.00 H new ATOM 1333 N GLU A 87 15.268 9.712 -3.844 1.00 0.00 N ATOM 1334 CA GLU A 87 15.776 10.208 -5.118 1.00 0.00 C ATOM 1335 C GLU A 87 15.073 9.525 -6.287 1.00 0.00 C ATOM 1336 O GLU A 87 15.132 9.997 -7.423 1.00 0.00 O ATOM 1337 CB GLU A 87 17.286 9.981 -5.213 1.00 0.00 C ATOM 1338 CG GLU A 87 17.676 8.515 -5.303 1.00 0.00 C ATOM 1339 CD GLU A 87 17.719 8.009 -6.732 1.00 0.00 C ATOM 1340 OE1 GLU A 87 17.440 8.805 -7.652 1.00 0.00 O ATOM 1341 OE2 GLU A 87 18.033 6.816 -6.929 1.00 0.00 O ATOM 0 H GLU A 87 15.525 8.748 -3.633 1.00 0.00 H new ATOM 0 HA GLU A 87 15.573 11.278 -5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.669 10.505 -6.089 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.767 10.424 -4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.654 8.374 -4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 87 16.965 7.918 -4.731 1.00 0.00 H new ATOM 1348 N VAL A 88 14.407 8.411 -6.001 1.00 0.00 N ATOM 1349 CA VAL A 88 13.692 7.662 -7.027 1.00 0.00 C ATOM 1350 C VAL A 88 12.184 7.835 -6.883 1.00 0.00 C ATOM 1351 O VAL A 88 11.536 7.117 -6.120 1.00 0.00 O ATOM 1352 CB VAL A 88 14.033 6.162 -6.968 1.00 0.00 C ATOM 1353 CG1 VAL A 88 13.201 5.384 -7.976 1.00 0.00 C ATOM 1354 CG2 VAL A 88 15.519 5.944 -7.210 1.00 0.00 C ATOM 0 H VAL A 88 14.348 8.007 -5.066 1.00 0.00 H new ATOM 0 HA VAL A 88 14.011 8.061 -7.990 1.00 0.00 H new ATOM 0 HB VAL A 88 13.792 5.792 -5.972 1.00 0.00 H new ATOM 0 HG11 VAL A 88 13.456 4.326 -7.919 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.142 5.514 -7.752 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.407 5.754 -8.980 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.742 4.878 -7.165 1.00 0.00 H new ATOM 0 HG22 VAL A 88 15.788 6.330 -8.193 1.00 0.00 H new ATOM 0 HG23 VAL A 88 16.093 6.468 -6.445 1.00 0.00 H new ATOM 1364 N LEU A 89 11.631 8.792 -7.620 1.00 0.00 N ATOM 1365 CA LEU A 89 10.198 9.060 -7.576 1.00 0.00 C ATOM 1366 C LEU A 89 9.534 8.696 -8.900 1.00 0.00 C ATOM 1367 O LEU A 89 10.196 8.246 -9.835 1.00 0.00 O ATOM 1368 CB LEU A 89 9.944 10.534 -7.253 1.00 0.00 C ATOM 1369 CG LEU A 89 10.998 11.222 -6.385 1.00 0.00 C ATOM 1370 CD1 LEU A 89 12.080 11.845 -7.253 1.00 0.00 C ATOM 1371 CD2 LEU A 89 10.352 12.275 -5.497 1.00 0.00 C ATOM 0 H LEU A 89 12.153 9.395 -8.255 1.00 0.00 H new ATOM 0 HA LEU A 89 9.762 8.442 -6.791 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.861 11.082 -8.192 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.980 10.614 -6.751 1.00 0.00 H new ATOM 0 HG LEU A 89 11.462 10.471 -5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.821 12.330 -6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.563 11.068 -7.846 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.633 12.584 -7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.117 12.755 -4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.862 13.024 -6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.614 11.802 -4.849 1.00 0.00 H new ATOM 1383 N PHE A 90 8.222 8.895 -8.973 1.00 0.00 N ATOM 1384 CA PHE A 90 7.469 8.589 -10.183 1.00 0.00 C ATOM 1385 C PHE A 90 6.293 9.548 -10.349 1.00 0.00 C ATOM 1386 O PHE A 90 5.385 9.584 -9.519 1.00 0.00 O ATOM 1387 CB PHE A 90 6.963 7.145 -10.143 1.00 0.00 C ATOM 1388 CG PHE A 90 8.057 6.131 -9.978 1.00 0.00 C ATOM 1389 CD1 PHE A 90 8.482 5.749 -8.715 1.00 0.00 C ATOM 1390 CD2 PHE A 90 8.662 5.558 -11.085 1.00 0.00 C ATOM 1391 CE1 PHE A 90 9.490 4.816 -8.561 1.00 0.00 C ATOM 1392 CE2 PHE A 90 9.670 4.624 -10.937 1.00 0.00 C ATOM 1393 CZ PHE A 90 10.084 4.252 -9.673 1.00 0.00 C ATOM 0 H PHE A 90 7.659 9.267 -8.208 1.00 0.00 H new ATOM 0 HA PHE A 90 8.136 8.709 -11.036 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.254 7.040 -9.322 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.419 6.934 -11.063 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.020 6.185 -7.842 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.342 5.845 -12.076 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.813 4.528 -7.571 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.133 4.186 -11.809 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.871 3.522 -9.554 1.00 0.00 H new ATOM 1403 N VAL A 91 6.318 10.323 -11.428 1.00 0.00 N ATOM 1404 CA VAL A 91 5.255 11.282 -11.705 1.00 0.00 C ATOM 1405 C VAL A 91 3.890 10.711 -11.337 1.00 0.00 C ATOM 1406 O VAL A 91 2.956 11.454 -11.036 1.00 0.00 O ATOM 1407 CB VAL A 91 5.244 11.695 -13.189 1.00 0.00 C ATOM 1408 CG1 VAL A 91 4.493 10.668 -14.023 1.00 0.00 C ATOM 1409 CG2 VAL A 91 4.630 13.078 -13.352 1.00 0.00 C ATOM 0 H VAL A 91 7.063 10.306 -12.125 1.00 0.00 H new ATOM 0 HA VAL A 91 5.455 12.161 -11.093 1.00 0.00 H new ATOM 0 HB VAL A 91 6.273 11.735 -13.545 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.495 10.976 -15.068 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.980 9.697 -13.930 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.465 10.594 -13.669 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.630 13.354 -14.406 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.606 13.067 -12.980 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.214 13.804 -12.787 1.00 0.00 H new ATOM 1419 N SER A 92 3.782 9.386 -11.364 1.00 0.00 N ATOM 1420 CA SER A 92 2.530 8.715 -11.036 1.00 0.00 C ATOM 1421 C SER A 92 2.786 7.283 -10.576 1.00 0.00 C ATOM 1422 O SER A 92 3.746 6.643 -11.004 1.00 0.00 O ATOM 1423 CB SER A 92 1.596 8.713 -12.248 1.00 0.00 C ATOM 1424 OG SER A 92 2.262 8.239 -13.405 1.00 0.00 O ATOM 0 H SER A 92 4.546 8.757 -11.610 1.00 0.00 H new ATOM 0 HA SER A 92 2.056 9.261 -10.221 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.729 8.086 -12.041 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.225 9.722 -12.426 1.00 0.00 H new ATOM 0 HG SER A 92 1.643 8.246 -14.165 1.00 0.00 H new ATOM 1430 N VAL A 93 1.919 6.786 -9.699 1.00 0.00 N ATOM 1431 CA VAL A 93 2.049 5.430 -9.180 1.00 0.00 C ATOM 1432 C VAL A 93 2.333 4.437 -10.301 1.00 0.00 C ATOM 1433 O VAL A 93 3.163 3.540 -10.156 1.00 0.00 O ATOM 1434 CB VAL A 93 0.777 4.992 -8.430 1.00 0.00 C ATOM 1435 CG1 VAL A 93 0.932 3.574 -7.899 1.00 0.00 C ATOM 1436 CG2 VAL A 93 0.464 5.961 -7.301 1.00 0.00 C ATOM 0 H VAL A 93 1.119 7.303 -9.333 1.00 0.00 H new ATOM 0 HA VAL A 93 2.888 5.436 -8.484 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.059 5.003 -9.130 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.024 3.282 -7.372 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.105 2.891 -8.731 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.778 3.533 -7.214 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.438 5.636 -6.782 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.298 5.984 -6.600 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.307 6.959 -7.711 1.00 0.00 H new ATOM 1446 N GLY A 94 1.637 4.604 -11.422 1.00 0.00 N ATOM 1447 CA GLY A 94 1.829 3.715 -12.553 1.00 0.00 C ATOM 1448 C GLY A 94 3.293 3.455 -12.845 1.00 0.00 C ATOM 1449 O GLY A 94 3.782 2.341 -12.660 1.00 0.00 O ATOM 0 H GLY A 94 0.944 5.339 -11.567 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.327 2.768 -12.356 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.357 4.148 -13.435 1.00 0.00 H new ATOM 1453 N SER A 95 3.995 4.486 -13.305 1.00 0.00 N ATOM 1454 CA SER A 95 5.412 4.363 -13.628 1.00 0.00 C ATOM 1455 C SER A 95 6.158 3.619 -12.525 1.00 0.00 C ATOM 1456 O SER A 95 6.914 2.685 -12.793 1.00 0.00 O ATOM 1457 CB SER A 95 6.032 5.746 -13.835 1.00 0.00 C ATOM 1458 OG SER A 95 7.099 5.693 -14.766 1.00 0.00 O ATOM 0 H SER A 95 3.606 5.416 -13.462 1.00 0.00 H new ATOM 0 HA SER A 95 5.500 3.791 -14.552 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.270 6.440 -14.190 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.395 6.131 -12.882 1.00 0.00 H new ATOM 0 HG SER A 95 7.477 6.590 -14.882 1.00 0.00 H new ATOM 1464 N MET A 96 5.941 4.040 -11.284 1.00 0.00 N ATOM 1465 CA MET A 96 6.591 3.413 -10.139 1.00 0.00 C ATOM 1466 C MET A 96 6.410 1.899 -10.173 1.00 0.00 C ATOM 1467 O MET A 96 7.384 1.146 -10.144 1.00 0.00 O ATOM 1468 CB MET A 96 6.028 3.977 -8.833 1.00 0.00 C ATOM 1469 CG MET A 96 6.685 3.401 -7.589 1.00 0.00 C ATOM 1470 SD MET A 96 6.185 4.253 -6.081 1.00 0.00 S ATOM 1471 CE MET A 96 4.514 3.639 -5.884 1.00 0.00 C ATOM 0 H MET A 96 5.320 4.813 -11.045 1.00 0.00 H new ATOM 0 HA MET A 96 7.657 3.635 -10.192 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.152 5.060 -8.831 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.957 3.779 -8.793 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.432 2.344 -7.505 1.00 0.00 H new ATOM 0 HG3 MET A 96 7.768 3.462 -7.694 1.00 0.00 H new ATOM 0 HE1 MET A 96 4.254 3.626 -4.826 1.00 0.00 H new ATOM 0 HE2 MET A 96 3.822 4.289 -6.420 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.448 2.628 -6.287 1.00 0.00 H new ATOM 1481 N VAL A 97 5.157 1.458 -10.233 1.00 0.00 N ATOM 1482 CA VAL A 97 4.848 0.034 -10.272 1.00 0.00 C ATOM 1483 C VAL A 97 5.641 -0.671 -11.367 1.00 0.00 C ATOM 1484 O VAL A 97 6.231 -1.726 -11.138 1.00 0.00 O ATOM 1485 CB VAL A 97 3.345 -0.208 -10.503 1.00 0.00 C ATOM 1486 CG1 VAL A 97 3.032 -1.696 -10.463 1.00 0.00 C ATOM 1487 CG2 VAL A 97 2.519 0.547 -9.473 1.00 0.00 C ATOM 0 H VAL A 97 4.339 2.067 -10.256 1.00 0.00 H new ATOM 0 HA VAL A 97 5.129 -0.378 -9.303 1.00 0.00 H new ATOM 0 HB VAL A 97 3.082 0.168 -11.492 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.965 -1.848 -10.628 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.596 -2.208 -11.243 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.310 -2.100 -9.490 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.459 0.364 -9.652 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.783 0.204 -8.473 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.722 1.615 -9.556 1.00 0.00 H new ATOM 1497 N GLU A 98 5.649 -0.079 -12.558 1.00 0.00 N ATOM 1498 CA GLU A 98 6.369 -0.652 -13.689 1.00 0.00 C ATOM 1499 C GLU A 98 7.862 -0.751 -13.389 1.00 0.00 C ATOM 1500 O GLU A 98 8.542 -1.665 -13.860 1.00 0.00 O ATOM 1501 CB GLU A 98 6.145 0.194 -14.945 1.00 0.00 C ATOM 1502 CG GLU A 98 4.763 0.819 -15.019 1.00 0.00 C ATOM 1503 CD GLU A 98 4.282 1.004 -16.445 1.00 0.00 C ATOM 1504 OE1 GLU A 98 5.107 1.378 -17.305 1.00 0.00 O ATOM 1505 OE2 GLU A 98 3.082 0.776 -16.702 1.00 0.00 O ATOM 0 H GLU A 98 5.166 0.795 -12.764 1.00 0.00 H new ATOM 0 HA GLU A 98 5.983 -1.657 -13.862 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.894 0.985 -14.979 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.300 -0.430 -15.825 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.055 0.190 -14.479 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.778 1.786 -14.516 1.00 0.00 H new ATOM 1512 N HIS A 99 8.367 0.195 -12.604 1.00 0.00 N ATOM 1513 CA HIS A 99 9.780 0.214 -12.241 1.00 0.00 C ATOM 1514 C HIS A 99 10.111 -0.929 -11.287 1.00 0.00 C ATOM 1515 O HIS A 99 11.101 -1.637 -11.472 1.00 0.00 O ATOM 1516 CB HIS A 99 10.144 1.552 -11.598 1.00 0.00 C ATOM 1517 CG HIS A 99 11.356 1.485 -10.720 1.00 0.00 C ATOM 1518 ND1 HIS A 99 11.474 1.256 -9.391 1.00 0.00 N flip ATOM 1519 CD2 HIS A 99 12.639 1.665 -11.192 1.00 0.00 C flip ATOM 1520 CE1 HIS A 99 12.813 1.301 -9.088 1.00 0.00 C flip ATOM 1521 NE2 HIS A 99 13.494 1.549 -10.192 1.00 0.00 N flip ATOM 0 H HIS A 99 7.819 0.958 -12.207 1.00 0.00 H new ATOM 0 HA HIS A 99 10.366 0.085 -13.151 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.315 2.289 -12.383 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.298 1.905 -11.009 1.00 0.00 H new ATOM 0 HD1 HIS A 99 10.711 1.082 -8.737 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.903 1.869 -12.219 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.240 1.157 -8.106 1.00 0.00 H new ATOM 1530 N TYR A 100 9.278 -1.103 -10.268 1.00 0.00 N ATOM 1531 CA TYR A 100 9.484 -2.159 -9.283 1.00 0.00 C ATOM 1532 C TYR A 100 9.358 -3.536 -9.927 1.00 0.00 C ATOM 1533 O TYR A 100 10.029 -4.487 -9.524 1.00 0.00 O ATOM 1534 CB TYR A 100 8.476 -2.023 -8.140 1.00 0.00 C ATOM 1535 CG TYR A 100 8.687 -0.791 -7.291 1.00 0.00 C ATOM 1536 CD1 TYR A 100 9.966 -0.375 -6.940 1.00 0.00 C ATOM 1537 CD2 TYR A 100 7.608 -0.043 -6.837 1.00 0.00 C ATOM 1538 CE1 TYR A 100 10.163 0.751 -6.164 1.00 0.00 C ATOM 1539 CE2 TYR A 100 7.796 1.085 -6.061 1.00 0.00 C ATOM 1540 CZ TYR A 100 9.075 1.477 -5.727 1.00 0.00 C ATOM 1541 OH TYR A 100 9.267 2.599 -4.953 1.00 0.00 O ATOM 0 H TYR A 100 8.453 -0.527 -10.102 1.00 0.00 H new ATOM 0 HA TYR A 100 10.493 -2.056 -8.883 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.469 -1.999 -8.556 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.538 -2.907 -7.505 1.00 0.00 H new ATOM 0 HD1 TYR A 100 10.820 -0.942 -7.280 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.605 -0.348 -7.095 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.164 1.061 -5.901 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.946 1.656 -5.718 1.00 0.00 H new ATOM 0 HH TYR A 100 8.757 3.347 -5.328 1.00 0.00 H new ATOM 1551 N HIS A 101 8.492 -3.636 -10.931 1.00 0.00 N ATOM 1552 CA HIS A 101 8.277 -4.897 -11.632 1.00 0.00 C ATOM 1553 C HIS A 101 9.604 -5.598 -11.909 1.00 0.00 C ATOM 1554 O HIS A 101 9.650 -6.815 -12.093 1.00 0.00 O ATOM 1555 CB HIS A 101 7.533 -4.654 -12.945 1.00 0.00 C ATOM 1556 CG HIS A 101 6.042 -4.715 -12.808 1.00 0.00 C ATOM 1557 ND1 HIS A 101 5.201 -4.994 -13.864 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.244 -4.533 -11.731 1.00 0.00 C ATOM 1559 CE1 HIS A 101 3.949 -4.980 -13.443 1.00 0.00 C ATOM 1560 NE2 HIS A 101 3.948 -4.703 -12.151 1.00 0.00 N ATOM 0 H HIS A 101 7.928 -2.860 -11.277 1.00 0.00 H new ATOM 0 HA HIS A 101 7.672 -5.541 -10.993 1.00 0.00 H new ATOM 0 HB2 HIS A 101 7.814 -3.677 -13.337 1.00 0.00 H new ATOM 0 HB3 HIS A 101 7.853 -5.395 -13.677 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.566 -4.298 -10.727 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.075 -5.164 -14.051 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.119 -4.628 -11.561 1.00 0.00 H new ATOM 1569 N THR A 102 10.683 -4.822 -11.937 1.00 0.00 N ATOM 1570 CA THR A 102 12.011 -5.367 -12.192 1.00 0.00 C ATOM 1571 C THR A 102 12.962 -5.060 -11.042 1.00 0.00 C ATOM 1572 O THR A 102 13.951 -5.765 -10.836 1.00 0.00 O ATOM 1573 CB THR A 102 12.606 -4.808 -13.498 1.00 0.00 C ATOM 1574 OG1 THR A 102 14.036 -4.852 -13.443 1.00 0.00 O ATOM 1575 CG2 THR A 102 12.146 -3.377 -13.733 1.00 0.00 C ATOM 0 H THR A 102 10.663 -3.813 -11.786 1.00 0.00 H new ATOM 0 HA THR A 102 11.896 -6.447 -12.286 1.00 0.00 H new ATOM 0 HB THR A 102 12.256 -5.426 -14.325 1.00 0.00 H new ATOM 0 HG1 THR A 102 14.407 -4.496 -14.278 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.579 -3.003 -14.661 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.059 -3.351 -13.804 1.00 0.00 H new ATOM 0 HG23 THR A 102 12.471 -2.750 -12.903 1.00 0.00 H new ATOM 1583 N HIS A 103 12.657 -4.006 -10.292 1.00 0.00 N ATOM 1584 CA HIS A 103 13.486 -3.607 -9.160 1.00 0.00 C ATOM 1585 C HIS A 103 12.806 -3.957 -7.840 1.00 0.00 C ATOM 1586 O HIS A 103 12.058 -3.154 -7.282 1.00 0.00 O ATOM 1587 CB HIS A 103 13.774 -2.106 -9.216 1.00 0.00 C ATOM 1588 CG HIS A 103 14.946 -1.754 -10.080 1.00 0.00 C ATOM 1589 ND1 HIS A 103 15.871 -0.790 -9.737 1.00 0.00 N ATOM 1590 CD2 HIS A 103 15.341 -2.243 -11.278 1.00 0.00 C ATOM 1591 CE1 HIS A 103 16.783 -0.701 -10.688 1.00 0.00 C ATOM 1592 NE2 HIS A 103 16.485 -1.573 -11.635 1.00 0.00 N ATOM 0 H HIS A 103 11.842 -3.413 -10.448 1.00 0.00 H new ATOM 0 HA HIS A 103 14.428 -4.153 -9.220 1.00 0.00 H new ATOM 0 HB2 HIS A 103 12.890 -1.588 -9.588 1.00 0.00 H new ATOM 0 HB3 HIS A 103 13.955 -1.741 -8.205 1.00 0.00 H new ATOM 0 HD2 HIS A 103 14.848 -3.017 -11.848 1.00 0.00 H new ATOM 0 HE1 HIS A 103 17.629 -0.029 -10.691 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.018 -1.724 -12.492 1.00 0.00 H new ATOM 1601 N VAL A 104 13.071 -5.162 -7.345 1.00 0.00 N ATOM 1602 CA VAL A 104 12.486 -5.619 -6.090 1.00 0.00 C ATOM 1603 C VAL A 104 12.432 -4.491 -5.066 1.00 0.00 C ATOM 1604 O VAL A 104 13.330 -3.650 -5.004 1.00 0.00 O ATOM 1605 CB VAL A 104 13.280 -6.798 -5.497 1.00 0.00 C ATOM 1606 CG1 VAL A 104 14.773 -6.594 -5.703 1.00 0.00 C ATOM 1607 CG2 VAL A 104 12.956 -6.969 -4.021 1.00 0.00 C ATOM 0 H VAL A 104 13.687 -5.839 -7.794 1.00 0.00 H new ATOM 0 HA VAL A 104 11.472 -5.950 -6.316 1.00 0.00 H new ATOM 0 HB VAL A 104 12.987 -7.709 -6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 104 15.318 -7.437 -5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 104 14.987 -6.525 -6.770 1.00 0.00 H new ATOM 0 HG13 VAL A 104 15.086 -5.674 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 104 13.526 -7.806 -3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 104 13.219 -6.058 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.890 -7.165 -3.903 1.00 0.00 H new ATOM 1617 N LEU A 105 11.373 -4.478 -4.264 1.00 0.00 N ATOM 1618 CA LEU A 105 11.200 -3.452 -3.241 1.00 0.00 C ATOM 1619 C LEU A 105 12.222 -3.624 -2.121 1.00 0.00 C ATOM 1620 O LEU A 105 12.744 -4.713 -1.886 1.00 0.00 O ATOM 1621 CB LEU A 105 9.783 -3.509 -2.668 1.00 0.00 C ATOM 1622 CG LEU A 105 8.658 -3.722 -3.680 1.00 0.00 C ATOM 1623 CD1 LEU A 105 7.387 -4.177 -2.978 1.00 0.00 C ATOM 1624 CD2 LEU A 105 8.405 -2.449 -4.473 1.00 0.00 C ATOM 0 H LEU A 105 10.621 -5.166 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 105 11.358 -2.479 -3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.742 -4.314 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.592 -2.579 -2.132 1.00 0.00 H new ATOM 0 HG LEU A 105 8.964 -4.504 -4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.597 -4.324 -3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.575 -5.115 -2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.077 -3.418 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.601 -2.620 -5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.121 -1.647 -3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.312 -2.167 -5.007 1.00 0.00 H new ATOM 1636 N PRO A 106 12.512 -2.523 -1.411 1.00 0.00 N ATOM 1637 CA PRO A 106 13.471 -2.527 -0.302 1.00 0.00 C ATOM 1638 C PRO A 106 12.951 -3.292 0.911 1.00 0.00 C ATOM 1639 O PRO A 106 11.745 -3.493 1.059 1.00 0.00 O ATOM 1640 CB PRO A 106 13.633 -1.042 0.031 1.00 0.00 C ATOM 1641 CG PRO A 106 12.365 -0.410 -0.428 1.00 0.00 C ATOM 1642 CD PRO A 106 11.927 -1.191 -1.636 1.00 0.00 C ATOM 0 HA PRO A 106 14.404 -3.022 -0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.787 -0.890 1.099 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.496 -0.614 -0.479 1.00 0.00 H new ATOM 0 HG2 PRO A 106 11.607 -0.443 0.354 1.00 0.00 H new ATOM 0 HG3 PRO A 106 12.520 0.640 -0.677 1.00 0.00 H new ATOM 0 HD2 PRO A 106 10.841 -1.237 -1.713 1.00 0.00 H new ATOM 0 HD3 PRO A 106 12.293 -0.742 -2.559 1.00 0.00 H new ATOM 1650 N SER A 107 13.867 -3.714 1.776 1.00 0.00 N ATOM 1651 CA SER A 107 13.501 -4.460 2.974 1.00 0.00 C ATOM 1652 C SER A 107 13.124 -5.896 2.627 1.00 0.00 C ATOM 1653 O SER A 107 12.374 -6.548 3.355 1.00 0.00 O ATOM 1654 CB SER A 107 12.336 -3.774 3.691 1.00 0.00 C ATOM 1655 OG SER A 107 12.506 -2.367 3.709 1.00 0.00 O ATOM 0 H SER A 107 14.868 -3.552 1.670 1.00 0.00 H new ATOM 0 HA SER A 107 14.366 -4.481 3.637 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.400 -4.024 3.192 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.263 -4.148 4.712 1.00 0.00 H new ATOM 0 HG SER A 107 11.748 -1.952 4.171 1.00 0.00 H new ATOM 1661 N HIS A 108 13.649 -6.385 1.507 1.00 0.00 N ATOM 1662 CA HIS A 108 13.368 -7.745 1.062 1.00 0.00 C ATOM 1663 C HIS A 108 14.454 -8.240 0.110 1.00 0.00 C ATOM 1664 O HIS A 108 15.447 -7.552 -0.123 1.00 0.00 O ATOM 1665 CB HIS A 108 12.004 -7.808 0.375 1.00 0.00 C ATOM 1666 CG HIS A 108 11.280 -9.100 0.599 1.00 0.00 C ATOM 1667 ND1 HIS A 108 11.297 -10.140 -0.307 1.00 0.00 N ATOM 1668 CD2 HIS A 108 10.515 -9.518 1.634 1.00 0.00 C ATOM 1669 CE1 HIS A 108 10.573 -11.140 0.161 1.00 0.00 C ATOM 1670 NE2 HIS A 108 10.087 -10.789 1.338 1.00 0.00 N ATOM 0 H HIS A 108 14.271 -5.860 0.892 1.00 0.00 H new ATOM 0 HA HIS A 108 13.355 -8.393 1.939 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.386 -6.987 0.737 1.00 0.00 H new ATOM 0 HB3 HIS A 108 12.138 -7.657 -0.696 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.284 -8.956 2.527 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.406 -12.085 -0.335 1.00 0.00 H new ATOM 0 HE2 HIS A 108 9.491 -11.367 1.930 1.00 0.00 H new ATOM 1679 N GLN A 109 14.256 -9.436 -0.435 1.00 0.00 N ATOM 1680 CA GLN A 109 15.219 -10.022 -1.359 1.00 0.00 C ATOM 1681 C GLN A 109 14.658 -10.062 -2.777 1.00 0.00 C ATOM 1682 O GLN A 109 15.256 -9.520 -3.707 1.00 0.00 O ATOM 1683 CB GLN A 109 15.598 -11.434 -0.908 1.00 0.00 C ATOM 1684 CG GLN A 109 14.407 -12.370 -0.778 1.00 0.00 C ATOM 1685 CD GLN A 109 14.681 -13.537 0.150 1.00 0.00 C ATOM 1686 OE1 GLN A 109 15.577 -13.478 0.993 1.00 0.00 O ATOM 1687 NE2 GLN A 109 13.910 -14.608 0.000 1.00 0.00 N ATOM 0 H GLN A 109 13.438 -10.017 -0.253 1.00 0.00 H new ATOM 0 HA GLN A 109 16.112 -9.396 -1.358 1.00 0.00 H new ATOM 0 HB2 GLN A 109 16.306 -11.857 -1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 109 16.110 -11.375 0.053 1.00 0.00 H new ATOM 0 HG2 GLN A 109 13.548 -11.810 -0.408 1.00 0.00 H new ATOM 0 HG3 GLN A 109 14.139 -12.750 -1.764 1.00 0.00 H new ATOM 0 HE21 GLN A 109 13.179 -14.615 -0.711 1.00 0.00 H new ATOM 0 HE22 GLN A 109 14.049 -15.424 0.596 1.00 0.00 H new ATOM 1696 N SER A 110 13.507 -10.708 -2.934 1.00 0.00 N ATOM 1697 CA SER A 110 12.867 -10.822 -4.240 1.00 0.00 C ATOM 1698 C SER A 110 11.372 -10.535 -4.139 1.00 0.00 C ATOM 1699 O SER A 110 10.543 -11.346 -4.554 1.00 0.00 O ATOM 1700 CB SER A 110 13.092 -12.220 -4.821 1.00 0.00 C ATOM 1701 OG SER A 110 14.473 -12.481 -5.001 1.00 0.00 O ATOM 0 H SER A 110 12.999 -11.160 -2.174 1.00 0.00 H new ATOM 0 HA SER A 110 13.317 -10.084 -4.904 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.661 -12.968 -4.155 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.575 -12.308 -5.776 1.00 0.00 H new ATOM 0 HG SER A 110 14.590 -13.381 -5.372 1.00 0.00 H new ATOM 1707 N LEU A 111 11.035 -9.376 -3.585 1.00 0.00 N ATOM 1708 CA LEU A 111 9.640 -8.980 -3.428 1.00 0.00 C ATOM 1709 C LEU A 111 9.241 -7.960 -4.491 1.00 0.00 C ATOM 1710 O LEU A 111 9.462 -6.759 -4.327 1.00 0.00 O ATOM 1711 CB LEU A 111 9.408 -8.397 -2.033 1.00 0.00 C ATOM 1712 CG LEU A 111 8.064 -7.701 -1.811 1.00 0.00 C ATOM 1713 CD1 LEU A 111 6.915 -8.652 -2.109 1.00 0.00 C ATOM 1714 CD2 LEU A 111 7.966 -7.172 -0.388 1.00 0.00 C ATOM 0 H LEU A 111 11.709 -8.694 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 111 9.020 -9.868 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.502 -9.202 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.204 -7.682 -1.823 1.00 0.00 H new ATOM 0 HG LEU A 111 7.996 -6.856 -2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.967 -8.140 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.975 -8.982 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 111 6.978 -9.517 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.003 -6.680 -0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.056 -8.000 0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.769 -6.456 -0.210 1.00 0.00 H new ATOM 1726 N LEU A 112 8.652 -8.446 -5.577 1.00 0.00 N ATOM 1727 CA LEU A 112 8.219 -7.576 -6.666 1.00 0.00 C ATOM 1728 C LEU A 112 6.697 -7.544 -6.765 1.00 0.00 C ATOM 1729 O LEU A 112 6.007 -8.363 -6.158 1.00 0.00 O ATOM 1730 CB LEU A 112 8.818 -8.050 -7.992 1.00 0.00 C ATOM 1731 CG LEU A 112 10.316 -8.359 -7.979 1.00 0.00 C ATOM 1732 CD1 LEU A 112 10.629 -9.516 -8.915 1.00 0.00 C ATOM 1733 CD2 LEU A 112 11.118 -7.125 -8.366 1.00 0.00 C ATOM 0 H LEU A 112 8.463 -9.437 -5.728 1.00 0.00 H new ATOM 0 HA LEU A 112 8.572 -6.567 -6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.285 -8.947 -8.309 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.632 -7.285 -8.746 1.00 0.00 H new ATOM 0 HG LEU A 112 10.600 -8.649 -6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.699 -9.722 -8.893 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.082 -10.402 -8.594 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.331 -9.254 -9.930 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.182 -7.363 -8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.832 -6.804 -9.368 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.916 -6.323 -7.656 1.00 0.00 H new ATOM 1745 N LEU A 113 6.181 -6.594 -7.537 1.00 0.00 N ATOM 1746 CA LEU A 113 4.740 -6.455 -7.718 1.00 0.00 C ATOM 1747 C LEU A 113 4.259 -7.281 -8.907 1.00 0.00 C ATOM 1748 O LEU A 113 4.401 -6.869 -10.059 1.00 0.00 O ATOM 1749 CB LEU A 113 4.370 -4.984 -7.921 1.00 0.00 C ATOM 1750 CG LEU A 113 4.907 -4.007 -6.874 1.00 0.00 C ATOM 1751 CD1 LEU A 113 4.732 -2.572 -7.345 1.00 0.00 C ATOM 1752 CD2 LEU A 113 4.210 -4.221 -5.538 1.00 0.00 C ATOM 0 H LEU A 113 6.738 -5.909 -8.047 1.00 0.00 H new ATOM 0 HA LEU A 113 4.248 -6.825 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.731 -4.671 -8.900 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.283 -4.903 -7.941 1.00 0.00 H new ATOM 0 HG LEU A 113 5.972 -4.196 -6.740 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.120 -1.891 -6.588 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.277 -2.426 -8.277 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.674 -2.369 -7.508 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.605 -3.517 -4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.139 -4.059 -5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.387 -5.240 -5.194 1.00 0.00 H new ATOM 1764 N ARG A 114 3.687 -8.446 -8.620 1.00 0.00 N ATOM 1765 CA ARG A 114 3.184 -9.328 -9.665 1.00 0.00 C ATOM 1766 C ARG A 114 1.705 -9.067 -9.932 1.00 0.00 C ATOM 1767 O ARG A 114 1.315 -8.721 -11.047 1.00 0.00 O ATOM 1768 CB ARG A 114 3.392 -10.792 -9.271 1.00 0.00 C ATOM 1769 CG ARG A 114 4.854 -11.201 -9.196 1.00 0.00 C ATOM 1770 CD ARG A 114 5.081 -12.267 -8.136 1.00 0.00 C ATOM 1771 NE ARG A 114 6.493 -12.399 -7.787 1.00 0.00 N ATOM 1772 CZ ARG A 114 7.352 -13.146 -8.471 1.00 0.00 C ATOM 1773 NH1 ARG A 114 6.945 -13.824 -9.536 1.00 0.00 N ATOM 1774 NH2 ARG A 114 8.622 -13.216 -8.091 1.00 0.00 N ATOM 0 H ARG A 114 3.561 -8.801 -7.672 1.00 0.00 H new ATOM 0 HA ARG A 114 3.742 -9.122 -10.578 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.924 -10.969 -8.303 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.882 -11.430 -9.993 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.178 -11.577 -10.167 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.466 -10.327 -8.972 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.508 -12.018 -7.243 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.706 -13.224 -8.498 1.00 0.00 H new ATOM 0 HE ARG A 114 6.838 -11.890 -6.974 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.970 -13.772 -9.831 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.607 -14.397 -10.059 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.939 -12.696 -7.273 1.00 0.00 H new ATOM 0 HH22 ARG A 114 9.281 -13.790 -8.617 1.00 0.00 H new ATOM 1788 N HIS A 115 0.884 -9.237 -8.899 1.00 0.00 N ATOM 1789 CA HIS A 115 -0.553 -9.019 -9.022 1.00 0.00 C ATOM 1790 C HIS A 115 -1.057 -8.087 -7.925 1.00 0.00 C ATOM 1791 O HIS A 115 -0.744 -8.251 -6.745 1.00 0.00 O ATOM 1792 CB HIS A 115 -1.299 -10.352 -8.957 1.00 0.00 C ATOM 1793 CG HIS A 115 -0.535 -11.496 -9.550 1.00 0.00 C ATOM 1794 ND1 HIS A 115 -0.310 -11.630 -10.903 1.00 0.00 N ATOM 1795 CD2 HIS A 115 0.059 -12.562 -8.964 1.00 0.00 C ATOM 1796 CE1 HIS A 115 0.388 -12.729 -11.125 1.00 0.00 C ATOM 1797 NE2 HIS A 115 0.626 -13.313 -9.964 1.00 0.00 N ATOM 0 H HIS A 115 1.189 -9.525 -7.969 1.00 0.00 H new ATOM 0 HA HIS A 115 -0.743 -8.551 -9.988 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -1.529 -10.580 -7.916 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -2.251 -10.252 -9.479 1.00 0.00 H new ATOM 0 HD2 HIS A 115 0.083 -12.781 -7.907 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.710 -13.089 -12.091 1.00 0.00 H new ATOM 0 HE2 HIS A 115 1.146 -14.180 -9.832 1.00 0.00 H new ATOM 1806 N PRO A 116 -1.856 -7.084 -8.320 1.00 0.00 N ATOM 1807 CA PRO A 116 -2.419 -6.106 -7.385 1.00 0.00 C ATOM 1808 C PRO A 116 -3.476 -6.718 -6.472 1.00 0.00 C ATOM 1809 O PRO A 116 -3.799 -7.901 -6.587 1.00 0.00 O ATOM 1810 CB PRO A 116 -3.050 -5.058 -8.306 1.00 0.00 C ATOM 1811 CG PRO A 116 -3.351 -5.793 -9.566 1.00 0.00 C ATOM 1812 CD PRO A 116 -2.270 -6.829 -9.709 1.00 0.00 C ATOM 0 HA PRO A 116 -1.662 -5.703 -6.712 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -3.955 -4.638 -7.867 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.368 -4.227 -8.486 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.335 -6.259 -9.520 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.359 -5.116 -10.420 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.642 -7.734 -10.190 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.441 -6.464 -10.315 1.00 0.00 H new ATOM 1820 N TYR A 117 -4.011 -5.907 -5.567 1.00 0.00 N ATOM 1821 CA TYR A 117 -5.031 -6.370 -4.633 1.00 0.00 C ATOM 1822 C TYR A 117 -6.430 -6.120 -5.186 1.00 0.00 C ATOM 1823 O TYR A 117 -6.650 -5.180 -5.949 1.00 0.00 O ATOM 1824 CB TYR A 117 -4.871 -5.669 -3.283 1.00 0.00 C ATOM 1825 CG TYR A 117 -6.093 -5.774 -2.398 1.00 0.00 C ATOM 1826 CD1 TYR A 117 -6.541 -7.007 -1.941 1.00 0.00 C ATOM 1827 CD2 TYR A 117 -6.799 -4.639 -2.018 1.00 0.00 C ATOM 1828 CE1 TYR A 117 -7.657 -7.108 -1.134 1.00 0.00 C ATOM 1829 CE2 TYR A 117 -7.916 -4.730 -1.209 1.00 0.00 C ATOM 1830 CZ TYR A 117 -8.341 -5.967 -0.770 1.00 0.00 C ATOM 1831 OH TYR A 117 -9.452 -6.062 0.035 1.00 0.00 O ATOM 0 H TYR A 117 -3.756 -4.925 -5.460 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.901 -7.443 -4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.016 -6.097 -2.760 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.646 -4.616 -3.454 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -6.007 -7.903 -2.222 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -6.469 -3.669 -2.361 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.992 -8.075 -0.790 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -8.453 -3.838 -0.922 1.00 0.00 H new ATOM 0 HH TYR A 117 -10.136 -5.433 -0.276 1.00 0.00 H new ATOM 1841 N GLY A 118 -7.375 -6.969 -4.794 1.00 0.00 N ATOM 1842 CA GLY A 118 -8.742 -6.825 -5.259 1.00 0.00 C ATOM 1843 C GLY A 118 -8.939 -7.371 -6.659 1.00 0.00 C ATOM 1844 O GLY A 118 -9.925 -8.056 -6.933 1.00 0.00 O ATOM 0 H GLY A 118 -7.218 -7.754 -4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.412 -7.343 -4.573 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -9.019 -5.771 -5.241 1.00 0.00 H new ATOM 1848 N TYR A 119 -8.001 -7.067 -7.549 1.00 0.00 N ATOM 1849 CA TYR A 119 -8.078 -7.528 -8.930 1.00 0.00 C ATOM 1850 C TYR A 119 -8.107 -9.052 -8.994 1.00 0.00 C ATOM 1851 O TYR A 119 -7.593 -9.734 -8.106 1.00 0.00 O ATOM 1852 CB TYR A 119 -6.891 -6.996 -9.734 1.00 0.00 C ATOM 1853 CG TYR A 119 -7.061 -7.140 -11.230 1.00 0.00 C ATOM 1854 CD1 TYR A 119 -7.737 -6.177 -11.969 1.00 0.00 C ATOM 1855 CD2 TYR A 119 -6.543 -8.239 -11.904 1.00 0.00 C ATOM 1856 CE1 TYR A 119 -7.894 -6.306 -13.335 1.00 0.00 C ATOM 1857 CE2 TYR A 119 -6.694 -8.375 -13.271 1.00 0.00 C ATOM 1858 CZ TYR A 119 -7.371 -7.406 -13.982 1.00 0.00 C ATOM 1859 OH TYR A 119 -7.525 -7.537 -15.343 1.00 0.00 O ATOM 0 H TYR A 119 -7.178 -6.503 -7.338 1.00 0.00 H new ATOM 0 HA TYR A 119 -9.002 -7.146 -9.363 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.742 -5.943 -9.493 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.988 -7.524 -9.427 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -8.147 -5.313 -11.467 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -6.013 -9.000 -11.350 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -8.424 -5.549 -13.894 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -6.284 -9.235 -13.780 1.00 0.00 H new ATOM 0 HH TYR A 119 -7.097 -8.366 -15.642 1.00 0.00 H new