USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 757 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 47 CYS SG : rot -136:sc= -0.369 USER MOD Set 1.2: A 49 HIS : no HE2:sc= -3.29! C(o=-5.3!,f=-13!) USER MOD Set 1.3: A 50 CYS SG : rot 138:sc= -1.67 USER MOD Set 2.1: A 28 ASN :FLIP amide:sc= -1.06 F(o=-4.2!,f=-1.8) USER MOD Set 2.2: A 33 GLN :FLIP amide:sc= -0.749 X(o=-1.9,f=-1.8) USER MOD Set 3.1: A 23 THR OG1 : rot -103:sc= 1.19 USER MOD Set 3.2: A 26 ASN : amide:sc= -0.294 K(o=0.89,f=-4.1!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -139:sc= 1.18 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -2.32 X(o=-2.3,f=-2.3) USER MOD Single : A 54 THR OG1 : rot 85:sc= 0.938 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc=-0.00438 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00563) USER MOD Single : A 74 ASN : amide:sc= -7.45! C(o=-7.5!,f=-17!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -6.41! C(o=-8.1!,f=-6.4!) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 74:sc= 1.1 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 52:sc= 0.7 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -3.04! C(o=-3!,f=-5.2!) USER MOD Single : A 100 LYS NZ :NH3+ 178:sc= 1.29 (180deg=1.18) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 110:sc= -0.923 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 195 N ASP A 18 7.630 2.539 -11.749 1.00 0.00 N ATOM 196 CA ASP A 18 7.312 1.121 -11.630 1.00 0.00 C ATOM 197 C ASP A 18 6.100 0.910 -10.728 1.00 0.00 C ATOM 198 O ASP A 18 5.492 -0.161 -10.728 1.00 0.00 O ATOM 199 CB ASP A 18 8.514 0.352 -11.078 1.00 0.00 C ATOM 200 CG ASP A 18 9.778 0.602 -11.876 1.00 0.00 C ATOM 201 OD1 ASP A 18 10.258 1.755 -11.880 1.00 0.00 O ATOM 202 OD2 ASP A 18 10.287 -0.354 -12.498 1.00 0.00 O ATOM 0 HA ASP A 18 7.073 0.742 -12.624 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.680 0.640 -10.040 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.291 -0.715 -11.081 1.00 0.00 H new ATOM 207 N VAL A 19 5.754 1.938 -9.959 1.00 0.00 N ATOM 208 CA VAL A 19 4.615 1.865 -9.053 1.00 0.00 C ATOM 209 C VAL A 19 3.300 1.835 -9.824 1.00 0.00 C ATOM 210 O VAL A 19 3.065 2.665 -10.703 1.00 0.00 O ATOM 211 CB VAL A 19 4.597 3.056 -8.077 1.00 0.00 C ATOM 212 CG1 VAL A 19 3.362 3.003 -7.191 1.00 0.00 C ATOM 213 CG2 VAL A 19 5.866 3.075 -7.237 1.00 0.00 C ATOM 0 H VAL A 19 6.247 2.831 -9.946 1.00 0.00 H new ATOM 0 HA VAL A 19 4.721 0.941 -8.485 1.00 0.00 H new ATOM 0 HB VAL A 19 4.558 3.978 -8.657 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.367 3.853 -6.508 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.467 3.042 -7.812 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.365 2.076 -6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.837 3.923 -6.553 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.938 2.150 -6.665 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.734 3.166 -7.891 1.00 0.00 H new ATOM 223 N ILE A 20 2.446 0.874 -9.490 1.00 0.00 N ATOM 224 CA ILE A 20 1.154 0.737 -10.150 1.00 0.00 C ATOM 225 C ILE A 20 0.100 1.615 -9.484 1.00 0.00 C ATOM 226 O ILE A 20 -0.159 1.491 -8.287 1.00 0.00 O ATOM 227 CB ILE A 20 0.668 -0.725 -10.140 1.00 0.00 C ATOM 228 CG1 ILE A 20 1.596 -1.599 -10.986 1.00 0.00 C ATOM 229 CG2 ILE A 20 -0.762 -0.812 -10.651 1.00 0.00 C ATOM 230 CD1 ILE A 20 1.393 -3.082 -10.770 1.00 0.00 C ATOM 0 H ILE A 20 2.626 0.178 -8.766 1.00 0.00 H new ATOM 0 HA ILE A 20 1.292 1.059 -11.182 1.00 0.00 H new ATOM 0 HB ILE A 20 0.689 -1.092 -9.114 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.438 -1.369 -12.040 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.631 -1.345 -10.756 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.091 -1.851 -10.638 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.414 -0.217 -10.011 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.808 -0.430 -11.671 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.084 -3.640 -11.402 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.580 -3.326 -9.724 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.369 -3.350 -11.028 1.00 0.00 H new ATOM 242 N GLU A 21 -0.506 2.501 -10.268 1.00 0.00 N ATOM 243 CA GLU A 21 -1.533 3.399 -9.753 1.00 0.00 C ATOM 244 C GLU A 21 -2.786 2.624 -9.358 1.00 0.00 C ATOM 245 O GLU A 21 -3.657 2.363 -10.190 1.00 0.00 O ATOM 246 CB GLU A 21 -1.884 4.461 -10.798 1.00 0.00 C ATOM 247 CG GLU A 21 -2.454 5.737 -10.202 1.00 0.00 C ATOM 248 CD GLU A 21 -2.868 6.741 -11.260 1.00 0.00 C ATOM 249 OE1 GLU A 21 -2.114 6.913 -12.240 1.00 0.00 O ATOM 250 OE2 GLU A 21 -3.946 7.354 -11.108 1.00 0.00 O ATOM 0 H GLU A 21 -0.304 2.616 -11.261 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.137 3.891 -8.865 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.989 4.706 -11.370 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.606 4.043 -11.499 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.317 5.491 -9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.711 6.191 -9.547 1.00 0.00 H new ATOM 257 N LEU A 22 -2.871 2.257 -8.085 1.00 0.00 N ATOM 258 CA LEU A 22 -4.018 1.510 -7.578 1.00 0.00 C ATOM 259 C LEU A 22 -5.208 2.434 -7.340 1.00 0.00 C ATOM 260 O LEU A 22 -5.049 3.562 -6.871 1.00 0.00 O ATOM 261 CB LEU A 22 -3.649 0.790 -6.280 1.00 0.00 C ATOM 262 CG LEU A 22 -2.764 -0.448 -6.427 1.00 0.00 C ATOM 263 CD1 LEU A 22 -2.435 -1.034 -5.063 1.00 0.00 C ATOM 264 CD2 LEU A 22 -3.443 -1.487 -7.307 1.00 0.00 C ATOM 0 H LEU A 22 -2.160 2.464 -7.384 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.300 0.772 -8.329 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.141 1.499 -5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.570 0.496 -5.777 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.831 -0.150 -6.905 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.804 -1.914 -5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.907 -0.291 -4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.358 -1.317 -4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.799 -2.361 -7.401 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.391 -1.781 -6.857 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.626 -1.064 -8.295 1.00 0.00 H new ATOM 276 N THR A 23 -6.402 1.949 -7.665 1.00 0.00 N ATOM 277 CA THR A 23 -7.619 2.730 -7.486 1.00 0.00 C ATOM 278 C THR A 23 -8.757 1.863 -6.961 1.00 0.00 C ATOM 279 O THR A 23 -8.732 0.636 -7.061 1.00 0.00 O ATOM 280 CB THR A 23 -8.061 3.393 -8.805 1.00 0.00 C ATOM 281 OG1 THR A 23 -8.991 2.547 -9.491 1.00 0.00 O ATOM 282 CG2 THR A 23 -6.862 3.667 -9.700 1.00 0.00 C ATOM 0 H THR A 23 -6.552 1.018 -8.054 1.00 0.00 H new ATOM 0 HA THR A 23 -7.391 3.507 -6.756 1.00 0.00 H new ATOM 0 HB THR A 23 -8.541 4.342 -8.566 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.534 2.087 -10.226 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.198 4.135 -10.625 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.170 4.334 -9.187 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.358 2.728 -9.931 1.00 0.00 H new ATOM 290 N PRO A 24 -9.781 2.512 -6.387 1.00 0.00 N ATOM 291 CA PRO A 24 -10.948 1.818 -5.835 1.00 0.00 C ATOM 292 C PRO A 24 -11.822 1.200 -6.921 1.00 0.00 C ATOM 293 O PRO A 24 -12.986 0.876 -6.685 1.00 0.00 O ATOM 294 CB PRO A 24 -11.709 2.929 -5.106 1.00 0.00 C ATOM 295 CG PRO A 24 -11.301 4.184 -5.797 1.00 0.00 C ATOM 296 CD PRO A 24 -9.878 3.973 -6.233 1.00 0.00 C ATOM 0 HA PRO A 24 -10.661 0.986 -5.192 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.787 2.776 -5.166 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.450 2.958 -4.048 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.945 4.385 -6.653 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.381 5.041 -5.129 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.663 4.491 -7.168 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.171 4.347 -5.492 1.00 0.00 H new ATOM 304 N SER A 25 -11.253 1.038 -8.111 1.00 0.00 N ATOM 305 CA SER A 25 -11.981 0.461 -9.235 1.00 0.00 C ATOM 306 C SER A 25 -11.278 -0.790 -9.753 1.00 0.00 C ATOM 307 O SER A 25 -11.901 -1.657 -10.365 1.00 0.00 O ATOM 308 CB SER A 25 -12.118 1.486 -10.362 1.00 0.00 C ATOM 309 OG SER A 25 -13.307 2.244 -10.220 1.00 0.00 O ATOM 0 H SER A 25 -10.290 1.298 -8.322 1.00 0.00 H new ATOM 0 HA SER A 25 -12.975 0.180 -8.886 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.255 2.152 -10.359 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.122 0.975 -11.325 1.00 0.00 H new ATOM 0 HG SER A 25 -13.370 2.893 -10.951 1.00 0.00 H new ATOM 315 N ASN A 26 -9.976 -0.876 -9.502 1.00 0.00 N ATOM 316 CA ASN A 26 -9.186 -2.020 -9.943 1.00 0.00 C ATOM 317 C ASN A 26 -8.470 -2.674 -8.765 1.00 0.00 C ATOM 318 O ASN A 26 -8.009 -3.812 -8.859 1.00 0.00 O ATOM 319 CB ASN A 26 -8.166 -1.587 -10.998 1.00 0.00 C ATOM 320 CG ASN A 26 -7.696 -0.159 -10.795 1.00 0.00 C ATOM 321 OD1 ASN A 26 -8.403 0.792 -11.126 1.00 0.00 O ATOM 322 ND2 ASN A 26 -6.496 -0.004 -10.247 1.00 0.00 N ATOM 0 H ASN A 26 -9.445 -0.167 -8.996 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.865 -2.750 -10.383 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.307 -2.257 -10.966 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.609 -1.684 -11.989 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.126 0.933 -10.085 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.944 -0.822 -9.988 1.00 0.00 H new ATOM 329 N PHE A 27 -8.381 -1.946 -7.657 1.00 0.00 N ATOM 330 CA PHE A 27 -7.721 -2.454 -6.460 1.00 0.00 C ATOM 331 C PHE A 27 -7.972 -3.950 -6.294 1.00 0.00 C ATOM 332 O PHE A 27 -7.099 -4.691 -5.844 1.00 0.00 O ATOM 333 CB PHE A 27 -8.214 -1.702 -5.222 1.00 0.00 C ATOM 334 CG PHE A 27 -7.415 -1.997 -3.984 1.00 0.00 C ATOM 335 CD1 PHE A 27 -7.482 -3.243 -3.381 1.00 0.00 C ATOM 336 CD2 PHE A 27 -6.598 -1.029 -3.424 1.00 0.00 C ATOM 337 CE1 PHE A 27 -6.748 -3.517 -2.242 1.00 0.00 C ATOM 338 CE2 PHE A 27 -5.862 -1.297 -2.286 1.00 0.00 C ATOM 339 CZ PHE A 27 -5.938 -2.543 -1.693 1.00 0.00 C ATOM 0 H PHE A 27 -8.757 -1.003 -7.563 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.649 -2.294 -6.571 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.180 -0.631 -5.420 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.258 -1.960 -5.041 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.115 -4.008 -3.806 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.536 -0.053 -3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.808 -4.492 -1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.228 -0.534 -1.860 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.365 -2.754 -0.802 1.00 0.00 H new ATOM 349 N ASN A 28 -9.173 -4.387 -6.660 1.00 0.00 N ATOM 350 CA ASN A 28 -9.540 -5.794 -6.551 1.00 0.00 C ATOM 351 C ASN A 28 -9.013 -6.588 -7.742 1.00 0.00 C ATOM 352 O ASN A 28 -8.527 -7.709 -7.587 1.00 0.00 O ATOM 353 CB ASN A 28 -11.061 -5.940 -6.460 1.00 0.00 C ATOM 354 CG ASN A 28 -11.536 -7.315 -6.887 1.00 0.00 C ATOM 355 OD1 ASN A 28 -11.621 -8.234 -5.932 1.00 0.00 O flip ATOM 356 ND2 ASN A 28 -11.824 -7.548 -8.061 1.00 0.00 N flip ATOM 0 H ASN A 28 -9.908 -3.787 -7.034 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.088 -6.192 -5.643 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.381 -5.750 -5.435 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.534 -5.184 -7.087 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.744 -6.811 -8.762 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -12.143 -8.478 -8.333 1.00 0.00 H new ATOM 363 N ARG A 29 -9.111 -5.999 -8.929 1.00 0.00 N ATOM 364 CA ARG A 29 -8.644 -6.652 -10.146 1.00 0.00 C ATOM 365 C ARG A 29 -7.127 -6.541 -10.275 1.00 0.00 C ATOM 366 O ARG A 29 -6.527 -7.127 -11.176 1.00 0.00 O ATOM 367 CB ARG A 29 -9.317 -6.032 -11.373 1.00 0.00 C ATOM 368 CG ARG A 29 -10.600 -6.736 -11.784 1.00 0.00 C ATOM 369 CD ARG A 29 -11.609 -5.759 -12.366 1.00 0.00 C ATOM 370 NE ARG A 29 -12.447 -6.381 -13.387 1.00 0.00 N ATOM 371 CZ ARG A 29 -12.067 -6.548 -14.649 1.00 0.00 C ATOM 372 NH1 ARG A 29 -10.868 -6.140 -15.042 1.00 0.00 N ATOM 373 NH2 ARG A 29 -12.886 -7.123 -15.519 1.00 0.00 N ATOM 0 H ARG A 29 -9.509 -5.071 -9.074 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.911 -7.707 -10.087 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.537 -4.985 -11.166 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.618 -6.051 -12.209 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.373 -7.508 -12.519 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.034 -7.237 -10.919 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -12.240 -5.370 -11.567 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.082 -4.908 -12.798 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.375 -6.705 -13.116 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.236 -5.697 -14.375 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.578 -6.269 -16.011 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.809 -7.438 -15.220 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.593 -7.251 -16.488 1.00 0.00 H new ATOM 387 N GLU A 30 -6.515 -5.786 -9.368 1.00 0.00 N ATOM 388 CA GLU A 30 -5.069 -5.598 -9.382 1.00 0.00 C ATOM 389 C GLU A 30 -4.410 -6.361 -8.236 1.00 0.00 C ATOM 390 O GLU A 30 -3.435 -7.086 -8.437 1.00 0.00 O ATOM 391 CB GLU A 30 -4.724 -4.111 -9.284 1.00 0.00 C ATOM 392 CG GLU A 30 -4.601 -3.424 -10.634 1.00 0.00 C ATOM 393 CD GLU A 30 -3.295 -3.745 -11.335 1.00 0.00 C ATOM 394 OE1 GLU A 30 -2.261 -3.847 -10.642 1.00 0.00 O ATOM 395 OE2 GLU A 30 -3.308 -3.895 -12.574 1.00 0.00 O ATOM 0 H GLU A 30 -6.997 -5.295 -8.615 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.687 -5.990 -10.324 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.492 -3.606 -8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.785 -4.000 -8.742 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.434 -3.727 -11.269 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.680 -2.346 -10.497 1.00 0.00 H new ATOM 402 N VAL A 31 -4.949 -6.191 -7.033 1.00 0.00 N ATOM 403 CA VAL A 31 -4.416 -6.863 -5.854 1.00 0.00 C ATOM 404 C VAL A 31 -5.235 -8.102 -5.509 1.00 0.00 C ATOM 405 O VAL A 31 -4.736 -9.226 -5.572 1.00 0.00 O ATOM 406 CB VAL A 31 -4.390 -5.922 -4.636 1.00 0.00 C ATOM 407 CG1 VAL A 31 -3.874 -6.654 -3.406 1.00 0.00 C ATOM 408 CG2 VAL A 31 -3.543 -4.693 -4.929 1.00 0.00 C ATOM 0 H VAL A 31 -5.755 -5.593 -6.849 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.396 -7.162 -6.095 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.409 -5.592 -4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.863 -5.973 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.526 -7.499 -3.185 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.863 -7.015 -3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.536 -4.039 -4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.523 -5.001 -5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.962 -4.157 -5.781 1.00 0.00 H new ATOM 418 N ILE A 32 -6.495 -7.888 -5.145 1.00 0.00 N ATOM 419 CA ILE A 32 -7.384 -8.988 -4.792 1.00 0.00 C ATOM 420 C ILE A 32 -7.356 -10.081 -5.855 1.00 0.00 C ATOM 421 O ILE A 32 -7.489 -11.264 -5.544 1.00 0.00 O ATOM 422 CB ILE A 32 -8.834 -8.502 -4.609 1.00 0.00 C ATOM 423 CG1 ILE A 32 -8.888 -7.357 -3.595 1.00 0.00 C ATOM 424 CG2 ILE A 32 -9.726 -9.652 -4.165 1.00 0.00 C ATOM 425 CD1 ILE A 32 -8.501 -7.773 -2.193 1.00 0.00 C ATOM 0 H ILE A 32 -6.923 -6.964 -5.087 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.023 -9.395 -3.847 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.201 -8.132 -5.566 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.223 -6.559 -3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.897 -6.945 -3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.747 -9.293 -4.040 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.708 -10.439 -4.919 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.363 -10.049 -3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.562 -6.912 -1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.181 -8.550 -1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.481 -8.158 -2.196 1.00 0.00 H new ATOM 437 N GLN A 33 -7.180 -9.675 -7.108 1.00 0.00 N ATOM 438 CA GLN A 33 -7.133 -10.621 -8.217 1.00 0.00 C ATOM 439 C GLN A 33 -5.692 -10.956 -8.586 1.00 0.00 C ATOM 440 O GLN A 33 -5.388 -11.245 -9.744 1.00 0.00 O ATOM 441 CB GLN A 33 -7.865 -10.051 -9.433 1.00 0.00 C ATOM 442 CG GLN A 33 -9.376 -10.024 -9.276 1.00 0.00 C ATOM 443 CD GLN A 33 -9.889 -11.127 -8.371 1.00 0.00 C ATOM 444 OE1 GLN A 33 -10.440 -10.745 -7.225 1.00 0.00 O flip ATOM 445 NE2 GLN A 33 -9.791 -12.310 -8.698 1.00 0.00 N flip ATOM 0 H GLN A 33 -7.068 -8.699 -7.381 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.630 -11.538 -7.901 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.509 -9.038 -9.619 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.610 -10.644 -10.311 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.678 -9.058 -8.872 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.841 -10.119 -10.257 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.360 -12.559 -9.588 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.141 -13.041 -8.078 1.00 0.00 H new ATOM 454 N SER A 34 -4.807 -10.915 -7.595 1.00 0.00 N ATOM 455 CA SER A 34 -3.396 -11.209 -7.817 1.00 0.00 C ATOM 456 C SER A 34 -2.867 -12.165 -6.752 1.00 0.00 C ATOM 457 O SER A 34 -2.499 -11.747 -5.654 1.00 0.00 O ATOM 458 CB SER A 34 -2.577 -9.918 -7.812 1.00 0.00 C ATOM 459 OG SER A 34 -1.202 -10.185 -8.028 1.00 0.00 O ATOM 0 H SER A 34 -5.042 -10.681 -6.630 1.00 0.00 H new ATOM 0 HA SER A 34 -3.299 -11.688 -8.791 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.946 -9.246 -8.587 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.706 -9.406 -6.859 1.00 0.00 H new ATOM 0 HG SER A 34 -0.662 -9.619 -7.438 1.00 0.00 H new ATOM 465 N ASP A 35 -2.832 -13.451 -7.085 1.00 0.00 N ATOM 466 CA ASP A 35 -2.347 -14.467 -6.158 1.00 0.00 C ATOM 467 C ASP A 35 -0.987 -14.078 -5.587 1.00 0.00 C ATOM 468 O ASP A 35 -0.640 -14.458 -4.470 1.00 0.00 O ATOM 469 CB ASP A 35 -2.250 -15.823 -6.860 1.00 0.00 C ATOM 470 CG ASP A 35 -2.252 -16.982 -5.884 1.00 0.00 C ATOM 471 OD1 ASP A 35 -2.846 -16.839 -4.794 1.00 0.00 O ATOM 472 OD2 ASP A 35 -1.661 -18.033 -6.209 1.00 0.00 O ATOM 0 H ASP A 35 -3.133 -13.814 -7.989 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.058 -14.542 -5.335 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.086 -15.932 -7.550 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.338 -15.856 -7.456 1.00 0.00 H new ATOM 477 N GLY A 36 -0.220 -13.318 -6.363 1.00 0.00 N ATOM 478 CA GLY A 36 1.093 -12.890 -5.918 1.00 0.00 C ATOM 479 C GLY A 36 1.023 -11.880 -4.790 1.00 0.00 C ATOM 480 O GLY A 36 -0.064 -11.518 -4.338 1.00 0.00 O ATOM 0 H GLY A 36 -0.485 -12.991 -7.292 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.662 -13.759 -5.588 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.634 -12.455 -6.758 1.00 0.00 H new ATOM 484 N LEU A 37 2.184 -11.425 -4.333 1.00 0.00 N ATOM 485 CA LEU A 37 2.251 -10.451 -3.249 1.00 0.00 C ATOM 486 C LEU A 37 2.010 -9.038 -3.771 1.00 0.00 C ATOM 487 O LEU A 37 2.457 -8.684 -4.862 1.00 0.00 O ATOM 488 CB LEU A 37 3.611 -10.525 -2.553 1.00 0.00 C ATOM 489 CG LEU A 37 3.628 -10.148 -1.071 1.00 0.00 C ATOM 490 CD1 LEU A 37 3.082 -11.287 -0.224 1.00 0.00 C ATOM 491 CD2 LEU A 37 5.038 -9.782 -0.631 1.00 0.00 C ATOM 0 H LEU A 37 3.092 -11.715 -4.696 1.00 0.00 H new ATOM 0 HA LEU A 37 1.468 -10.691 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.993 -11.541 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.304 -9.870 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 37 2.987 -9.278 -0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.102 -11.000 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.056 -11.503 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.696 -12.176 -0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.032 -9.516 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.700 -10.633 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.393 -8.934 -1.216 1.00 0.00 H new ATOM 503 N TRP A 38 1.303 -8.235 -2.984 1.00 0.00 N ATOM 504 CA TRP A 38 1.005 -6.860 -3.366 1.00 0.00 C ATOM 505 C TRP A 38 1.313 -5.898 -2.223 1.00 0.00 C ATOM 506 O TRP A 38 0.875 -6.104 -1.090 1.00 0.00 O ATOM 507 CB TRP A 38 -0.463 -6.729 -3.776 1.00 0.00 C ATOM 508 CG TRP A 38 -0.668 -6.752 -5.261 1.00 0.00 C ATOM 509 CD1 TRP A 38 -0.926 -7.847 -6.036 1.00 0.00 C ATOM 510 CD2 TRP A 38 -0.631 -5.630 -6.149 1.00 0.00 C ATOM 511 NE1 TRP A 38 -1.051 -7.473 -7.352 1.00 0.00 N ATOM 512 CE2 TRP A 38 -0.875 -6.118 -7.447 1.00 0.00 C ATOM 513 CE3 TRP A 38 -0.416 -4.260 -5.973 1.00 0.00 C ATOM 514 CZ2 TRP A 38 -0.910 -5.283 -8.561 1.00 0.00 C ATOM 515 CZ3 TRP A 38 -0.451 -3.433 -7.080 1.00 0.00 C ATOM 516 CH2 TRP A 38 -0.696 -3.946 -8.360 1.00 0.00 C ATOM 0 H TRP A 38 0.926 -8.512 -2.078 1.00 0.00 H new ATOM 0 HA TRP A 38 1.637 -6.601 -4.215 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -1.033 -7.541 -3.325 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.863 -5.798 -3.375 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.018 -8.858 -5.668 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -1.244 -8.102 -8.132 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.226 -3.855 -4.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.099 -5.676 -9.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.287 -2.373 -6.956 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.716 -3.274 -9.205 1.00 0.00 H new ATOM 527 N LEU A 39 2.069 -4.849 -2.526 1.00 0.00 N ATOM 528 CA LEU A 39 2.435 -3.855 -1.523 1.00 0.00 C ATOM 529 C LEU A 39 1.761 -2.517 -1.810 1.00 0.00 C ATOM 530 O LEU A 39 2.176 -1.780 -2.705 1.00 0.00 O ATOM 531 CB LEU A 39 3.954 -3.676 -1.485 1.00 0.00 C ATOM 532 CG LEU A 39 4.710 -4.565 -0.497 1.00 0.00 C ATOM 533 CD1 LEU A 39 6.207 -4.498 -0.756 1.00 0.00 C ATOM 534 CD2 LEU A 39 4.396 -4.158 0.935 1.00 0.00 C ATOM 0 H LEU A 39 2.441 -4.665 -3.458 1.00 0.00 H new ATOM 0 HA LEU A 39 2.092 -4.212 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.347 -3.862 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.171 -2.635 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 39 4.383 -5.595 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.729 -5.137 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.416 -4.839 -1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.551 -3.470 -0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.943 -4.801 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.694 -3.121 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.326 -4.259 1.116 1.00 0.00 H new ATOM 546 N VAL A 40 0.720 -2.208 -1.044 1.00 0.00 N ATOM 547 CA VAL A 40 -0.010 -0.957 -1.214 1.00 0.00 C ATOM 548 C VAL A 40 0.351 0.043 -0.121 1.00 0.00 C ATOM 549 O VAL A 40 0.207 -0.243 1.067 1.00 0.00 O ATOM 550 CB VAL A 40 -1.532 -1.189 -1.199 1.00 0.00 C ATOM 551 CG1 VAL A 40 -2.271 0.086 -1.577 1.00 0.00 C ATOM 552 CG2 VAL A 40 -1.906 -2.329 -2.134 1.00 0.00 C ATOM 0 H VAL A 40 0.363 -2.807 -0.299 1.00 0.00 H new ATOM 0 HA VAL A 40 0.279 -0.551 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.830 -1.466 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.345 -0.098 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.027 0.873 -0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.971 0.397 -2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.985 -2.479 -2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.595 -2.083 -3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.406 -3.242 -1.812 1.00 0.00 H new ATOM 562 N GLU A 41 0.821 1.216 -0.532 1.00 0.00 N ATOM 563 CA GLU A 41 1.204 2.259 0.413 1.00 0.00 C ATOM 564 C GLU A 41 0.240 3.440 0.340 1.00 0.00 C ATOM 565 O GLU A 41 0.125 4.098 -0.694 1.00 0.00 O ATOM 566 CB GLU A 41 2.631 2.733 0.133 1.00 0.00 C ATOM 567 CG GLU A 41 2.962 4.074 0.768 1.00 0.00 C ATOM 568 CD GLU A 41 4.122 4.772 0.084 1.00 0.00 C ATOM 569 OE1 GLU A 41 5.278 4.349 0.295 1.00 0.00 O ATOM 570 OE2 GLU A 41 3.873 5.741 -0.663 1.00 0.00 O ATOM 0 H GLU A 41 0.946 1.468 -1.512 1.00 0.00 H new ATOM 0 HA GLU A 41 1.160 1.838 1.417 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.332 1.984 0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.776 2.805 -0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.083 4.717 0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.202 3.924 1.821 1.00 0.00 H new ATOM 577 N PHE A 42 -0.451 3.701 1.444 1.00 0.00 N ATOM 578 CA PHE A 42 -1.407 4.801 1.506 1.00 0.00 C ATOM 579 C PHE A 42 -0.705 6.112 1.849 1.00 0.00 C ATOM 580 O PHE A 42 -0.394 6.377 3.010 1.00 0.00 O ATOM 581 CB PHE A 42 -2.492 4.504 2.543 1.00 0.00 C ATOM 582 CG PHE A 42 -3.318 3.293 2.216 1.00 0.00 C ATOM 583 CD1 PHE A 42 -2.920 2.033 2.634 1.00 0.00 C ATOM 584 CD2 PHE A 42 -4.492 3.414 1.490 1.00 0.00 C ATOM 585 CE1 PHE A 42 -3.678 0.916 2.335 1.00 0.00 C ATOM 586 CE2 PHE A 42 -5.254 2.301 1.189 1.00 0.00 C ATOM 587 CZ PHE A 42 -4.846 1.050 1.611 1.00 0.00 C ATOM 0 H PHE A 42 -0.367 3.166 2.308 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.870 4.903 0.525 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.024 4.362 3.517 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.149 5.370 2.628 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.007 1.922 3.200 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.815 4.389 1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.357 -0.060 2.667 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.168 2.409 0.624 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.439 0.179 1.375 1.00 0.00 H new ATOM 597 N TYR A 43 -0.459 6.928 0.830 1.00 0.00 N ATOM 598 CA TYR A 43 0.208 8.210 1.021 1.00 0.00 C ATOM 599 C TYR A 43 -0.774 9.365 0.856 1.00 0.00 C ATOM 600 O TYR A 43 -1.910 9.172 0.425 1.00 0.00 O ATOM 601 CB TYR A 43 1.362 8.361 0.029 1.00 0.00 C ATOM 602 CG TYR A 43 0.915 8.717 -1.371 1.00 0.00 C ATOM 603 CD1 TYR A 43 0.478 10.000 -1.677 1.00 0.00 C ATOM 604 CD2 TYR A 43 0.927 7.770 -2.387 1.00 0.00 C ATOM 605 CE1 TYR A 43 0.067 10.330 -2.954 1.00 0.00 C ATOM 606 CE2 TYR A 43 0.519 8.091 -3.668 1.00 0.00 C ATOM 607 CZ TYR A 43 0.090 9.372 -3.946 1.00 0.00 C ATOM 608 OH TYR A 43 -0.318 9.695 -5.220 1.00 0.00 O ATOM 0 H TYR A 43 -0.712 6.724 -0.137 1.00 0.00 H new ATOM 0 HA TYR A 43 0.605 8.237 2.036 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.043 9.132 0.391 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.925 7.428 -0.005 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.459 10.753 -0.903 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.261 6.766 -2.172 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.270 11.332 -3.174 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.536 7.343 -4.447 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.239 8.908 -5.798 1.00 0.00 H new ATOM 618 N ALA A 44 -0.327 10.568 1.203 1.00 0.00 N ATOM 619 CA ALA A 44 -1.164 11.756 1.091 1.00 0.00 C ATOM 620 C ALA A 44 -0.431 12.877 0.363 1.00 0.00 C ATOM 621 O ALA A 44 0.639 13.324 0.777 1.00 0.00 O ATOM 622 CB ALA A 44 -1.607 12.221 2.470 1.00 0.00 C ATOM 0 H ALA A 44 0.610 10.745 1.564 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.046 11.495 0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.231 13.109 2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.177 11.429 2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.731 12.459 3.073 1.00 0.00 H new ATOM 628 N PRO A 45 -1.018 13.345 -0.749 1.00 0.00 N ATOM 629 CA PRO A 45 -0.437 14.420 -1.558 1.00 0.00 C ATOM 630 C PRO A 45 -0.484 15.769 -0.849 1.00 0.00 C ATOM 631 O PRO A 45 -0.143 16.799 -1.431 1.00 0.00 O ATOM 632 CB PRO A 45 -1.322 14.442 -2.807 1.00 0.00 C ATOM 633 CG PRO A 45 -2.626 13.877 -2.357 1.00 0.00 C ATOM 634 CD PRO A 45 -2.294 12.860 -1.301 1.00 0.00 C ATOM 0 HA PRO A 45 0.618 14.246 -1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.441 15.455 -3.190 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.888 13.846 -3.610 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.273 14.658 -1.957 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.159 13.416 -3.188 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.069 12.808 -0.536 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.195 11.860 -1.723 1.00 0.00 H new ATOM 642 N TRP A 46 -0.906 15.756 0.410 1.00 0.00 N ATOM 643 CA TRP A 46 -0.996 16.979 1.199 1.00 0.00 C ATOM 644 C TRP A 46 -0.096 16.903 2.427 1.00 0.00 C ATOM 645 O TRP A 46 0.187 17.918 3.064 1.00 0.00 O ATOM 646 CB TRP A 46 -2.444 17.229 1.626 1.00 0.00 C ATOM 647 CG TRP A 46 -3.063 16.064 2.336 1.00 0.00 C ATOM 648 CD1 TRP A 46 -4.011 15.213 1.843 1.00 0.00 C ATOM 649 CD2 TRP A 46 -2.779 15.622 3.668 1.00 0.00 C ATOM 650 NE1 TRP A 46 -4.333 14.269 2.788 1.00 0.00 N ATOM 651 CE2 TRP A 46 -3.591 14.498 3.916 1.00 0.00 C ATOM 652 CE3 TRP A 46 -1.917 16.065 4.675 1.00 0.00 C ATOM 653 CZ2 TRP A 46 -3.565 13.814 5.129 1.00 0.00 C ATOM 654 CZ3 TRP A 46 -1.893 15.386 5.878 1.00 0.00 C ATOM 655 CH2 TRP A 46 -2.712 14.270 6.097 1.00 0.00 C ATOM 0 H TRP A 46 -1.191 14.912 0.907 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.659 17.809 0.577 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.478 18.102 2.278 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -3.039 17.466 0.744 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.444 15.273 0.855 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -5.014 13.519 2.669 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.281 16.923 4.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.196 12.954 5.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.232 15.721 6.663 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.669 13.760 7.048 1.00 0.00 H new ATOM 666 N CYS A 47 0.350 15.695 2.753 1.00 0.00 N ATOM 667 CA CYS A 47 1.219 15.487 3.907 1.00 0.00 C ATOM 668 C CYS A 47 2.682 15.691 3.529 1.00 0.00 C ATOM 669 O CYS A 47 3.009 15.908 2.363 1.00 0.00 O ATOM 670 CB CYS A 47 1.017 14.083 4.477 1.00 0.00 C ATOM 671 SG CYS A 47 1.118 13.996 6.280 1.00 0.00 S ATOM 0 H CYS A 47 0.125 14.845 2.236 1.00 0.00 H new ATOM 0 HA CYS A 47 0.954 16.221 4.668 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.043 13.711 4.160 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.767 13.418 4.049 1.00 0.00 H new ATOM 0 HG CYS A 47 1.830 12.964 6.625 1.00 0.00 H new ATOM 677 N GLY A 48 3.561 15.619 4.525 1.00 0.00 N ATOM 678 CA GLY A 48 4.979 15.799 4.277 1.00 0.00 C ATOM 679 C GLY A 48 5.720 14.482 4.165 1.00 0.00 C ATOM 680 O GLY A 48 6.146 14.091 3.077 1.00 0.00 O ATOM 0 H GLY A 48 3.316 15.439 5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.114 16.368 3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.414 16.389 5.084 1.00 0.00 H new ATOM 684 N HIS A 49 5.876 13.794 5.292 1.00 0.00 N ATOM 685 CA HIS A 49 6.572 12.513 5.316 1.00 0.00 C ATOM 686 C HIS A 49 6.095 11.614 4.178 1.00 0.00 C ATOM 687 O HIS A 49 6.782 10.667 3.793 1.00 0.00 O ATOM 688 CB HIS A 49 6.354 11.815 6.658 1.00 0.00 C ATOM 689 CG HIS A 49 4.964 11.967 7.194 1.00 0.00 C ATOM 690 ND1 HIS A 49 4.694 12.400 8.475 1.00 0.00 N ATOM 691 CD2 HIS A 49 3.762 11.744 6.612 1.00 0.00 C ATOM 692 CE1 HIS A 49 3.386 12.434 8.659 1.00 0.00 C ATOM 693 NE2 HIS A 49 2.797 12.041 7.544 1.00 0.00 N ATOM 0 H HIS A 49 5.530 14.103 6.200 1.00 0.00 H new ATOM 0 HA HIS A 49 7.637 12.704 5.183 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.578 10.754 6.547 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.061 12.215 7.385 1.00 0.00 H new ATOM 0 HD1 HIS A 49 5.394 12.654 9.172 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.593 11.397 5.603 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.884 12.733 9.567 1.00 0.00 H new ATOM 702 N CYS A 50 4.916 11.917 3.647 1.00 0.00 N ATOM 703 CA CYS A 50 4.347 11.135 2.555 1.00 0.00 C ATOM 704 C CYS A 50 4.952 11.549 1.217 1.00 0.00 C ATOM 705 O CYS A 50 5.338 10.702 0.413 1.00 0.00 O ATOM 706 CB CYS A 50 2.827 11.307 2.516 1.00 0.00 C ATOM 707 SG CYS A 50 1.949 10.402 3.811 1.00 0.00 S ATOM 0 H CYS A 50 4.336 12.698 3.954 1.00 0.00 H new ATOM 0 HA CYS A 50 4.583 10.085 2.731 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.590 12.367 2.604 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.460 10.977 1.544 1.00 0.00 H new ATOM 0 HG CYS A 50 1.007 11.152 4.302 1.00 0.00 H new ATOM 713 N GLN A 51 5.029 12.855 0.987 1.00 0.00 N ATOM 714 CA GLN A 51 5.585 13.380 -0.254 1.00 0.00 C ATOM 715 C GLN A 51 7.068 13.042 -0.373 1.00 0.00 C ATOM 716 O GLN A 51 7.611 12.969 -1.475 1.00 0.00 O ATOM 717 CB GLN A 51 5.389 14.896 -0.325 1.00 0.00 C ATOM 718 CG GLN A 51 3.930 15.318 -0.397 1.00 0.00 C ATOM 719 CD GLN A 51 3.736 16.796 -0.124 1.00 0.00 C ATOM 720 OE1 GLN A 51 4.692 17.573 -0.140 1.00 0.00 O ATOM 721 NE2 GLN A 51 2.495 17.194 0.129 1.00 0.00 N ATOM 0 H GLN A 51 4.714 13.569 1.643 1.00 0.00 H new ATOM 0 HA GLN A 51 5.056 12.913 -1.085 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.849 15.355 0.550 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.914 15.281 -1.199 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.535 15.080 -1.385 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.353 14.740 0.325 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.733 16.516 0.132 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.304 18.178 0.320 1.00 0.00 H new ATOM 730 N ARG A 52 7.716 12.836 0.769 1.00 0.00 N ATOM 731 CA ARG A 52 9.136 12.506 0.793 1.00 0.00 C ATOM 732 C ARG A 52 9.346 10.999 0.681 1.00 0.00 C ATOM 733 O ARG A 52 10.480 10.522 0.634 1.00 0.00 O ATOM 734 CB ARG A 52 9.781 13.028 2.078 1.00 0.00 C ATOM 735 CG ARG A 52 9.155 12.466 3.345 1.00 0.00 C ATOM 736 CD ARG A 52 9.809 11.156 3.755 1.00 0.00 C ATOM 737 NE ARG A 52 11.005 11.371 4.565 1.00 0.00 N ATOM 738 CZ ARG A 52 12.235 11.403 4.065 1.00 0.00 C ATOM 739 NH1 ARG A 52 12.430 11.235 2.764 1.00 0.00 N ATOM 740 NH2 ARG A 52 13.274 11.604 4.866 1.00 0.00 N ATOM 0 H ARG A 52 7.280 12.892 1.690 1.00 0.00 H new ATOM 0 HA ARG A 52 9.609 12.986 -0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.843 12.782 2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.706 14.115 2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.252 13.191 4.153 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.088 12.307 3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.094 10.554 4.317 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.073 10.588 2.863 1.00 0.00 H new ATOM 0 HE ARG A 52 10.889 11.504 5.570 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.634 11.081 2.145 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.376 11.260 2.383 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.128 11.734 5.867 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.218 11.628 4.480 1.00 0.00 H new ATOM 754 N LEU A 53 8.246 10.255 0.639 1.00 0.00 N ATOM 755 CA LEU A 53 8.310 8.801 0.533 1.00 0.00 C ATOM 756 C LEU A 53 7.998 8.345 -0.889 1.00 0.00 C ATOM 757 O LEU A 53 7.881 7.149 -1.158 1.00 0.00 O ATOM 758 CB LEU A 53 7.330 8.156 1.514 1.00 0.00 C ATOM 759 CG LEU A 53 7.425 6.636 1.655 1.00 0.00 C ATOM 760 CD1 LEU A 53 8.802 6.232 2.156 1.00 0.00 C ATOM 761 CD2 LEU A 53 6.342 6.119 2.591 1.00 0.00 C ATOM 0 H LEU A 53 7.300 10.634 0.677 1.00 0.00 H new ATOM 0 HA LEU A 53 9.324 8.487 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.484 8.602 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.316 8.410 1.204 1.00 0.00 H new ATOM 0 HG LEU A 53 7.273 6.189 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.851 5.147 2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.560 6.569 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.984 6.689 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.424 5.036 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.463 6.574 3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.362 6.377 2.190 1.00 0.00 H new ATOM 773 N THR A 54 7.867 9.306 -1.798 1.00 0.00 N ATOM 774 CA THR A 54 7.571 9.004 -3.193 1.00 0.00 C ATOM 775 C THR A 54 8.715 8.234 -3.843 1.00 0.00 C ATOM 776 O THR A 54 8.519 7.182 -4.453 1.00 0.00 O ATOM 777 CB THR A 54 7.305 10.287 -4.002 1.00 0.00 C ATOM 778 OG1 THR A 54 6.859 11.332 -3.130 1.00 0.00 O ATOM 779 CG2 THR A 54 6.263 10.040 -5.082 1.00 0.00 C ATOM 0 H THR A 54 7.961 10.301 -1.593 1.00 0.00 H new ATOM 0 HA THR A 54 6.672 8.388 -3.199 1.00 0.00 H new ATOM 0 HB THR A 54 8.237 10.588 -4.482 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.635 11.782 -2.736 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.092 10.961 -5.640 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.619 9.265 -5.761 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.330 9.717 -4.620 1.00 0.00 H new ATOM 787 N PRO A 55 9.938 8.767 -3.712 1.00 0.00 N ATOM 788 CA PRO A 55 11.138 8.145 -4.280 1.00 0.00 C ATOM 789 C PRO A 55 11.517 6.854 -3.562 1.00 0.00 C ATOM 790 O PRO A 55 11.898 5.871 -4.195 1.00 0.00 O ATOM 791 CB PRO A 55 12.220 9.208 -4.074 1.00 0.00 C ATOM 792 CG PRO A 55 11.746 10.011 -2.912 1.00 0.00 C ATOM 793 CD PRO A 55 10.245 10.018 -2.998 1.00 0.00 C ATOM 0 HA PRO A 55 10.994 7.859 -5.322 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.189 8.752 -3.871 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.339 9.829 -4.962 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.081 9.572 -1.972 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.144 11.025 -2.950 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.786 10.039 -2.010 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.878 10.890 -3.539 1.00 0.00 H new ATOM 801 N GLU A 56 11.408 6.865 -2.237 1.00 0.00 N ATOM 802 CA GLU A 56 11.739 5.694 -1.434 1.00 0.00 C ATOM 803 C GLU A 56 10.829 4.520 -1.782 1.00 0.00 C ATOM 804 O GLU A 56 11.260 3.367 -1.788 1.00 0.00 O ATOM 805 CB GLU A 56 11.623 6.020 0.056 1.00 0.00 C ATOM 806 CG GLU A 56 12.651 7.027 0.541 1.00 0.00 C ATOM 807 CD GLU A 56 12.433 7.434 1.985 1.00 0.00 C ATOM 808 OE1 GLU A 56 12.727 6.617 2.882 1.00 0.00 O ATOM 809 OE2 GLU A 56 11.969 8.570 2.219 1.00 0.00 O ATOM 0 H GLU A 56 11.093 7.671 -1.698 1.00 0.00 H new ATOM 0 HA GLU A 56 12.768 5.412 -1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.624 6.407 0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.730 5.100 0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.649 6.602 0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.613 7.913 -0.092 1.00 0.00 H new ATOM 816 N TRP A 57 9.568 4.822 -2.071 1.00 0.00 N ATOM 817 CA TRP A 57 8.596 3.793 -2.419 1.00 0.00 C ATOM 818 C TRP A 57 8.794 3.320 -3.855 1.00 0.00 C ATOM 819 O TRP A 57 8.785 2.120 -4.132 1.00 0.00 O ATOM 820 CB TRP A 57 7.173 4.323 -2.236 1.00 0.00 C ATOM 821 CG TRP A 57 6.130 3.247 -2.263 1.00 0.00 C ATOM 822 CD1 TRP A 57 5.050 3.172 -3.096 1.00 0.00 C ATOM 823 CD2 TRP A 57 6.066 2.094 -1.417 1.00 0.00 C ATOM 824 NE1 TRP A 57 4.320 2.042 -2.819 1.00 0.00 N ATOM 825 CE2 TRP A 57 4.923 1.363 -1.794 1.00 0.00 C ATOM 826 CE3 TRP A 57 6.865 1.606 -0.379 1.00 0.00 C ATOM 827 CZ2 TRP A 57 4.561 0.173 -1.168 1.00 0.00 C ATOM 828 CZ3 TRP A 57 6.504 0.426 0.241 1.00 0.00 C ATOM 829 CH2 TRP A 57 5.361 -0.281 -0.155 1.00 0.00 C ATOM 0 H TRP A 57 9.195 5.771 -2.071 1.00 0.00 H new ATOM 0 HA TRP A 57 8.749 2.944 -1.752 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.111 4.856 -1.287 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.959 5.047 -3.022 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.806 3.895 -3.860 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.467 1.755 -3.299 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.749 2.142 -0.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.680 -0.373 -1.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 7.113 0.041 1.045 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.107 -1.202 0.349 1.00 0.00 H new ATOM 840 N LYS A 58 8.973 4.270 -4.767 1.00 0.00 N ATOM 841 CA LYS A 58 9.176 3.951 -6.175 1.00 0.00 C ATOM 842 C LYS A 58 10.301 2.935 -6.347 1.00 0.00 C ATOM 843 O LYS A 58 10.130 1.910 -7.007 1.00 0.00 O ATOM 844 CB LYS A 58 9.496 5.222 -6.966 1.00 0.00 C ATOM 845 CG LYS A 58 8.263 5.962 -7.453 1.00 0.00 C ATOM 846 CD LYS A 58 8.623 7.311 -8.054 1.00 0.00 C ATOM 847 CE LYS A 58 8.548 8.421 -7.017 1.00 0.00 C ATOM 848 NZ LYS A 58 8.848 9.754 -7.609 1.00 0.00 N ATOM 0 H LYS A 58 8.982 5.268 -4.556 1.00 0.00 H new ATOM 0 HA LYS A 58 8.254 3.514 -6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.087 5.890 -6.340 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.115 4.960 -7.824 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.745 5.357 -8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.572 6.105 -6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.629 7.268 -8.470 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.946 7.535 -8.878 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.553 8.437 -6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.253 8.214 -6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.787 10.484 -6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.807 9.748 -8.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.160 9.963 -8.360 1.00 0.00 H new ATOM 862 N LYS A 59 11.450 3.226 -5.748 1.00 0.00 N ATOM 863 CA LYS A 59 12.603 2.337 -5.831 1.00 0.00 C ATOM 864 C LYS A 59 12.193 0.889 -5.581 1.00 0.00 C ATOM 865 O LYS A 59 12.437 0.013 -6.411 1.00 0.00 O ATOM 866 CB LYS A 59 13.672 2.758 -4.820 1.00 0.00 C ATOM 867 CG LYS A 59 14.592 3.854 -5.328 1.00 0.00 C ATOM 868 CD LYS A 59 15.653 4.212 -4.300 1.00 0.00 C ATOM 869 CE LYS A 59 15.098 5.132 -3.224 1.00 0.00 C ATOM 870 NZ LYS A 59 16.181 5.742 -2.403 1.00 0.00 N ATOM 0 H LYS A 59 11.608 4.071 -5.199 1.00 0.00 H new ATOM 0 HA LYS A 59 13.015 2.411 -6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.183 3.100 -3.908 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.271 1.887 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.073 3.528 -6.250 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.005 4.740 -5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.037 3.302 -3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.494 4.697 -4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.507 5.921 -3.690 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.425 4.570 -2.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.762 6.362 -1.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.729 4.990 -1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.809 6.300 -3.016 1.00 0.00 H new ATOM 884 N ALA A 60 11.569 0.646 -4.434 1.00 0.00 N ATOM 885 CA ALA A 60 11.122 -0.695 -4.077 1.00 0.00 C ATOM 886 C ALA A 60 10.289 -1.312 -5.195 1.00 0.00 C ATOM 887 O ALA A 60 10.404 -2.503 -5.483 1.00 0.00 O ATOM 888 CB ALA A 60 10.325 -0.659 -2.781 1.00 0.00 C ATOM 0 H ALA A 60 11.361 1.360 -3.736 1.00 0.00 H new ATOM 0 HA ALA A 60 12.005 -1.318 -3.931 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.998 -1.667 -2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.952 -0.268 -1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.454 -0.016 -2.907 1.00 0.00 H new ATOM 894 N ALA A 61 9.449 -0.494 -5.821 1.00 0.00 N ATOM 895 CA ALA A 61 8.597 -0.959 -6.909 1.00 0.00 C ATOM 896 C ALA A 61 9.430 -1.397 -8.109 1.00 0.00 C ATOM 897 O ALA A 61 9.101 -2.374 -8.784 1.00 0.00 O ATOM 898 CB ALA A 61 7.616 0.130 -7.314 1.00 0.00 C ATOM 0 H ALA A 61 9.340 0.494 -5.593 1.00 0.00 H new ATOM 0 HA ALA A 61 8.036 -1.823 -6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.987 -0.231 -8.127 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.991 0.392 -6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.166 1.011 -7.645 1.00 0.00 H new ATOM 904 N THR A 62 10.510 -0.668 -8.372 1.00 0.00 N ATOM 905 CA THR A 62 11.389 -0.980 -9.492 1.00 0.00 C ATOM 906 C THR A 62 12.013 -2.362 -9.333 1.00 0.00 C ATOM 907 O THR A 62 12.025 -3.159 -10.270 1.00 0.00 O ATOM 908 CB THR A 62 12.512 0.065 -9.633 1.00 0.00 C ATOM 909 OG1 THR A 62 11.950 1.380 -9.709 1.00 0.00 O ATOM 910 CG2 THR A 62 13.350 -0.206 -10.873 1.00 0.00 C ATOM 0 H THR A 62 10.797 0.143 -7.824 1.00 0.00 H new ATOM 0 HA THR A 62 10.773 -0.964 -10.391 1.00 0.00 H new ATOM 0 HB THR A 62 13.156 -0.005 -8.756 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.670 2.039 -9.797 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.137 0.544 -10.952 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.799 -1.196 -10.799 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.715 -0.161 -11.758 1.00 0.00 H new ATOM 918 N ALA A 63 12.531 -2.638 -8.141 1.00 0.00 N ATOM 919 CA ALA A 63 13.154 -3.925 -7.859 1.00 0.00 C ATOM 920 C ALA A 63 12.106 -5.025 -7.723 1.00 0.00 C ATOM 921 O ALA A 63 12.251 -6.108 -8.291 1.00 0.00 O ATOM 922 CB ALA A 63 13.997 -3.838 -6.595 1.00 0.00 C ATOM 0 H ALA A 63 12.532 -1.988 -7.355 1.00 0.00 H new ATOM 0 HA ALA A 63 13.802 -4.178 -8.698 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.456 -4.806 -6.397 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.776 -3.087 -6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.363 -3.558 -5.754 1.00 0.00 H new ATOM 928 N LEU A 64 11.052 -4.741 -6.966 1.00 0.00 N ATOM 929 CA LEU A 64 9.979 -5.706 -6.755 1.00 0.00 C ATOM 930 C LEU A 64 8.952 -5.634 -7.880 1.00 0.00 C ATOM 931 O LEU A 64 7.861 -6.195 -7.777 1.00 0.00 O ATOM 932 CB LEU A 64 9.297 -5.454 -5.409 1.00 0.00 C ATOM 933 CG LEU A 64 10.226 -5.158 -4.231 1.00 0.00 C ATOM 934 CD1 LEU A 64 9.528 -4.273 -3.210 1.00 0.00 C ATOM 935 CD2 LEU A 64 10.697 -6.452 -3.584 1.00 0.00 C ATOM 0 H LEU A 64 10.918 -3.850 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 64 10.417 -6.704 -6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.610 -4.616 -5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.695 -6.328 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 64 11.099 -4.625 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.204 -4.073 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.242 -3.332 -3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.637 -4.779 -2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.357 -6.221 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.835 -7.013 -3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.237 -7.050 -4.318 1.00 0.00 H new ATOM 947 N LYS A 65 9.309 -4.941 -8.956 1.00 0.00 N ATOM 948 CA LYS A 65 8.420 -4.797 -10.103 1.00 0.00 C ATOM 949 C LYS A 65 7.867 -6.152 -10.535 1.00 0.00 C ATOM 950 O LYS A 65 6.654 -6.329 -10.650 1.00 0.00 O ATOM 951 CB LYS A 65 9.162 -4.142 -11.270 1.00 0.00 C ATOM 952 CG LYS A 65 8.507 -4.382 -12.619 1.00 0.00 C ATOM 953 CD LYS A 65 9.206 -3.608 -13.724 1.00 0.00 C ATOM 954 CE LYS A 65 10.414 -4.363 -14.256 1.00 0.00 C ATOM 955 NZ LYS A 65 10.666 -4.065 -15.693 1.00 0.00 N ATOM 0 H LYS A 65 10.208 -4.470 -9.058 1.00 0.00 H new ATOM 0 HA LYS A 65 7.586 -4.160 -9.808 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.226 -3.068 -11.092 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.183 -4.521 -11.299 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.528 -5.447 -12.850 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.459 -4.086 -12.573 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.505 -3.421 -14.538 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.521 -2.636 -13.345 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.294 -4.098 -13.670 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.257 -5.434 -14.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.497 -4.599 -16.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.836 -4.341 -16.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.841 -3.047 -15.811 1.00 0.00 H new ATOM 969 N ASP A 66 8.762 -7.103 -10.772 1.00 0.00 N ATOM 970 CA ASP A 66 8.363 -8.443 -11.189 1.00 0.00 C ATOM 971 C ASP A 66 8.246 -9.374 -9.987 1.00 0.00 C ATOM 972 O ASP A 66 7.635 -10.439 -10.070 1.00 0.00 O ATOM 973 CB ASP A 66 9.369 -9.009 -12.192 1.00 0.00 C ATOM 974 CG ASP A 66 9.110 -8.528 -13.606 1.00 0.00 C ATOM 975 OD1 ASP A 66 8.503 -7.448 -13.765 1.00 0.00 O ATOM 976 OD2 ASP A 66 9.514 -9.232 -14.555 1.00 0.00 O ATOM 0 H ASP A 66 9.770 -6.972 -10.683 1.00 0.00 H new ATOM 0 HA ASP A 66 7.386 -8.372 -11.667 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.377 -8.722 -11.893 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.328 -10.098 -12.168 1.00 0.00 H new ATOM 981 N VAL A 67 8.836 -8.965 -8.868 1.00 0.00 N ATOM 982 CA VAL A 67 8.798 -9.762 -7.648 1.00 0.00 C ATOM 983 C VAL A 67 7.500 -9.532 -6.881 1.00 0.00 C ATOM 984 O VAL A 67 6.686 -10.443 -6.729 1.00 0.00 O ATOM 985 CB VAL A 67 9.989 -9.437 -6.727 1.00 0.00 C ATOM 986 CG1 VAL A 67 10.310 -10.622 -5.830 1.00 0.00 C ATOM 987 CG2 VAL A 67 11.204 -9.037 -7.551 1.00 0.00 C ATOM 0 H VAL A 67 9.346 -8.086 -8.782 1.00 0.00 H new ATOM 0 HA VAL A 67 8.858 -10.807 -7.952 1.00 0.00 H new ATOM 0 HB VAL A 67 9.715 -8.595 -6.091 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.154 -10.373 -5.187 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.442 -10.858 -5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.564 -11.485 -6.445 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.037 -8.811 -6.885 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.481 -9.858 -8.213 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.966 -8.156 -8.146 1.00 0.00 H new ATOM 997 N VAL A 68 7.312 -8.307 -6.401 1.00 0.00 N ATOM 998 CA VAL A 68 6.112 -7.955 -5.651 1.00 0.00 C ATOM 999 C VAL A 68 5.447 -6.712 -6.230 1.00 0.00 C ATOM 1000 O VAL A 68 6.050 -5.641 -6.287 1.00 0.00 O ATOM 1001 CB VAL A 68 6.431 -7.708 -4.165 1.00 0.00 C ATOM 1002 CG1 VAL A 68 5.168 -7.343 -3.400 1.00 0.00 C ATOM 1003 CG2 VAL A 68 7.101 -8.929 -3.553 1.00 0.00 C ATOM 0 H VAL A 68 7.976 -7.541 -6.518 1.00 0.00 H new ATOM 0 HA VAL A 68 5.429 -8.800 -5.732 1.00 0.00 H new ATOM 0 HB VAL A 68 7.124 -6.869 -4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.414 -7.172 -2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.735 -6.437 -3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.448 -8.158 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.319 -8.736 -2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.435 -9.788 -3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.030 -9.139 -4.084 1.00 0.00 H new ATOM 1013 N LYS A 69 4.198 -6.862 -6.660 1.00 0.00 N ATOM 1014 CA LYS A 69 3.447 -5.752 -7.234 1.00 0.00 C ATOM 1015 C LYS A 69 3.306 -4.613 -6.229 1.00 0.00 C ATOM 1016 O LYS A 69 2.440 -4.648 -5.354 1.00 0.00 O ATOM 1017 CB LYS A 69 2.063 -6.224 -7.684 1.00 0.00 C ATOM 1018 CG LYS A 69 2.090 -7.079 -8.939 1.00 0.00 C ATOM 1019 CD LYS A 69 1.972 -6.231 -10.194 1.00 0.00 C ATOM 1020 CE LYS A 69 2.310 -7.033 -11.442 1.00 0.00 C ATOM 1021 NZ LYS A 69 1.327 -8.125 -11.682 1.00 0.00 N ATOM 0 H LYS A 69 3.685 -7.743 -6.622 1.00 0.00 H new ATOM 0 HA LYS A 69 3.997 -5.383 -8.100 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.602 -6.793 -6.877 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.431 -5.354 -7.861 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.018 -7.651 -8.971 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.273 -7.799 -8.907 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.958 -5.839 -10.276 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.640 -5.373 -10.119 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.333 -6.368 -12.306 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.308 -7.459 -11.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.563 -8.616 -12.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.360 -8.801 -10.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.371 -7.722 -11.753 1.00 0.00 H new ATOM 1035 N VAL A 70 4.162 -3.604 -6.360 1.00 0.00 N ATOM 1036 CA VAL A 70 4.130 -2.454 -5.465 1.00 0.00 C ATOM 1037 C VAL A 70 3.296 -1.322 -6.054 1.00 0.00 C ATOM 1038 O VAL A 70 3.743 -0.609 -6.951 1.00 0.00 O ATOM 1039 CB VAL A 70 5.549 -1.932 -5.171 1.00 0.00 C ATOM 1040 CG1 VAL A 70 5.497 -0.750 -4.215 1.00 0.00 C ATOM 1041 CG2 VAL A 70 6.420 -3.045 -4.609 1.00 0.00 C ATOM 0 H VAL A 70 4.886 -3.560 -7.077 1.00 0.00 H new ATOM 0 HA VAL A 70 3.674 -2.790 -4.534 1.00 0.00 H new ATOM 0 HB VAL A 70 5.993 -1.592 -6.107 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.509 -0.395 -4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.911 0.053 -4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.034 -1.060 -3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.419 -2.658 -4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.981 -3.418 -3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.485 -3.857 -5.333 1.00 0.00 H new ATOM 1051 N GLY A 71 2.079 -1.163 -5.542 1.00 0.00 N ATOM 1052 CA GLY A 71 1.200 -0.115 -6.029 1.00 0.00 C ATOM 1053 C GLY A 71 1.226 1.118 -5.149 1.00 0.00 C ATOM 1054 O GLY A 71 2.113 1.273 -4.310 1.00 0.00 O ATOM 0 H GLY A 71 1.686 -1.741 -4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.493 0.159 -7.042 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.181 -0.497 -6.085 1.00 0.00 H new ATOM 1058 N ALA A 72 0.251 2.001 -5.341 1.00 0.00 N ATOM 1059 CA ALA A 72 0.165 3.227 -4.557 1.00 0.00 C ATOM 1060 C ALA A 72 -1.252 3.792 -4.576 1.00 0.00 C ATOM 1061 O ALA A 72 -1.811 4.057 -5.640 1.00 0.00 O ATOM 1062 CB ALA A 72 1.153 4.258 -5.081 1.00 0.00 C ATOM 0 H ALA A 72 -0.490 1.890 -6.033 1.00 0.00 H new ATOM 0 HA ALA A 72 0.419 2.988 -3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.078 5.169 -4.487 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.165 3.861 -5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.924 4.485 -6.122 1.00 0.00 H new ATOM 1068 N VAL A 73 -1.827 3.974 -3.392 1.00 0.00 N ATOM 1069 CA VAL A 73 -3.178 4.508 -3.272 1.00 0.00 C ATOM 1070 C VAL A 73 -3.184 5.819 -2.494 1.00 0.00 C ATOM 1071 O VAL A 73 -2.717 5.881 -1.358 1.00 0.00 O ATOM 1072 CB VAL A 73 -4.118 3.507 -2.575 1.00 0.00 C ATOM 1073 CG1 VAL A 73 -5.278 4.234 -1.913 1.00 0.00 C ATOM 1074 CG2 VAL A 73 -4.625 2.472 -3.569 1.00 0.00 C ATOM 0 H VAL A 73 -1.378 3.759 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.538 4.688 -4.285 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.556 2.988 -1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.931 3.510 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.893 4.933 -1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.843 4.781 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.288 1.773 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.171 2.972 -4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.780 1.929 -3.992 1.00 0.00 H new ATOM 1084 N ASN A 74 -3.716 6.867 -3.115 1.00 0.00 N ATOM 1085 CA ASN A 74 -3.783 8.179 -2.481 1.00 0.00 C ATOM 1086 C ASN A 74 -4.827 8.192 -1.368 1.00 0.00 C ATOM 1087 O ASN A 74 -5.991 8.518 -1.599 1.00 0.00 O ATOM 1088 CB ASN A 74 -4.113 9.254 -3.519 1.00 0.00 C ATOM 1089 CG ASN A 74 -4.309 10.621 -2.892 1.00 0.00 C ATOM 1090 OD1 ASN A 74 -4.075 10.808 -1.698 1.00 0.00 O ATOM 1091 ND2 ASN A 74 -4.742 11.584 -3.698 1.00 0.00 N ATOM 0 H ASN A 74 -4.107 6.833 -4.057 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.808 8.394 -2.043 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.309 9.306 -4.253 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.018 8.971 -4.057 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.894 12.524 -3.333 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.923 11.383 -4.682 1.00 0.00 H new ATOM 1098 N ALA A 75 -4.401 7.837 -0.161 1.00 0.00 N ATOM 1099 CA ALA A 75 -5.297 7.811 0.988 1.00 0.00 C ATOM 1100 C ALA A 75 -6.211 9.032 1.000 1.00 0.00 C ATOM 1101 O ALA A 75 -7.396 8.930 1.315 1.00 0.00 O ATOM 1102 CB ALA A 75 -4.497 7.735 2.280 1.00 0.00 C ATOM 0 H ALA A 75 -3.441 7.563 0.047 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.923 6.922 0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.179 7.716 3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.892 6.828 2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.846 8.606 2.357 1.00 0.00 H new ATOM 1108 N ASP A 76 -5.651 10.187 0.656 1.00 0.00 N ATOM 1109 CA ASP A 76 -6.415 11.428 0.627 1.00 0.00 C ATOM 1110 C ASP A 76 -7.562 11.337 -0.374 1.00 0.00 C ATOM 1111 O ASP A 76 -8.689 11.737 -0.082 1.00 0.00 O ATOM 1112 CB ASP A 76 -5.504 12.605 0.272 1.00 0.00 C ATOM 1113 CG ASP A 76 -6.246 13.927 0.256 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -6.936 14.231 1.251 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -6.136 14.658 -0.751 1.00 0.00 O ATOM 0 H ASP A 76 -4.671 10.289 0.393 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.835 11.590 1.620 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.687 12.659 0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.056 12.431 -0.706 1.00 0.00 H new ATOM 1120 N LYS A 77 -7.268 10.808 -1.557 1.00 0.00 N ATOM 1121 CA LYS A 77 -8.274 10.663 -2.602 1.00 0.00 C ATOM 1122 C LYS A 77 -9.112 9.407 -2.381 1.00 0.00 C ATOM 1123 O LYS A 77 -10.333 9.481 -2.238 1.00 0.00 O ATOM 1124 CB LYS A 77 -7.605 10.606 -3.978 1.00 0.00 C ATOM 1125 CG LYS A 77 -8.550 10.205 -5.097 1.00 0.00 C ATOM 1126 CD LYS A 77 -7.800 9.592 -6.268 1.00 0.00 C ATOM 1127 CE LYS A 77 -7.008 10.641 -7.033 1.00 0.00 C ATOM 1128 NZ LYS A 77 -5.815 10.054 -7.705 1.00 0.00 N ATOM 0 H LYS A 77 -6.340 10.472 -1.816 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.933 11.530 -2.560 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.179 11.583 -4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.777 9.898 -3.941 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.281 9.491 -4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.105 11.080 -5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.124 8.818 -5.904 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.507 9.107 -6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.651 11.109 -7.778 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.689 11.427 -6.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.302 10.801 -8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.189 9.629 -6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.121 9.322 -8.378 1.00 0.00 H new ATOM 1142 N HIS A 78 -8.449 8.256 -2.351 1.00 0.00 N ATOM 1143 CA HIS A 78 -9.133 6.984 -2.144 1.00 0.00 C ATOM 1144 C HIS A 78 -9.358 6.724 -0.657 1.00 0.00 C ATOM 1145 O HIS A 78 -9.225 5.593 -0.190 1.00 0.00 O ATOM 1146 CB HIS A 78 -8.325 5.841 -2.758 1.00 0.00 C ATOM 1147 CG HIS A 78 -7.962 6.067 -4.193 1.00 0.00 C ATOM 1148 ND1 HIS A 78 -6.799 5.863 -4.855 1.00 0.00 N flip ATOM 1149 CD2 HIS A 78 -8.849 6.563 -5.124 1.00 0.00 C flip ATOM 1150 CE1 HIS A 78 -7.003 6.235 -6.161 1.00 0.00 C flip ATOM 1151 NE2 HIS A 78 -8.248 6.653 -6.298 1.00 0.00 N flip ATOM 0 H HIS A 78 -7.439 8.177 -2.467 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.104 7.037 -2.636 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -7.412 5.700 -2.179 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.899 4.918 -2.678 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -9.875 6.836 -4.925 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.265 6.193 -6.948 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -8.673 6.988 -7.162 1.00 0.00 H new ATOM 1160 N GLN A 79 -9.697 7.777 0.078 1.00 0.00 N ATOM 1161 CA GLN A 79 -9.938 7.662 1.512 1.00 0.00 C ATOM 1162 C GLN A 79 -10.766 6.420 1.826 1.00 0.00 C ATOM 1163 O GLN A 79 -10.601 5.802 2.878 1.00 0.00 O ATOM 1164 CB GLN A 79 -10.652 8.910 2.033 1.00 0.00 C ATOM 1165 CG GLN A 79 -9.704 10.012 2.478 1.00 0.00 C ATOM 1166 CD GLN A 79 -10.408 11.114 3.245 1.00 0.00 C ATOM 1167 OE1 GLN A 79 -11.620 11.060 3.458 1.00 0.00 O ATOM 1168 NE2 GLN A 79 -9.651 12.121 3.664 1.00 0.00 N ATOM 0 H GLN A 79 -9.811 8.720 -0.295 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.973 7.570 2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.305 9.298 1.251 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.290 8.630 2.872 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.922 9.582 3.103 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.214 10.439 1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.651 12.124 3.465 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.070 12.891 4.185 1.00 0.00 H new ATOM 1177 N SER A 80 -11.656 6.060 0.907 1.00 0.00 N ATOM 1178 CA SER A 80 -12.513 4.894 1.088 1.00 0.00 C ATOM 1179 C SER A 80 -11.681 3.620 1.196 1.00 0.00 C ATOM 1180 O SER A 80 -11.906 2.791 2.079 1.00 0.00 O ATOM 1181 CB SER A 80 -13.500 4.775 -0.075 1.00 0.00 C ATOM 1182 OG SER A 80 -14.699 4.142 0.337 1.00 0.00 O ATOM 0 H SER A 80 -11.803 6.559 0.030 1.00 0.00 H new ATOM 0 HA SER A 80 -13.070 5.023 2.016 1.00 0.00 H new ATOM 0 HB2 SER A 80 -13.725 5.766 -0.468 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.045 4.206 -0.886 1.00 0.00 H new ATOM 0 HG SER A 80 -15.314 4.079 -0.424 1.00 0.00 H new ATOM 1188 N LEU A 81 -10.719 3.471 0.293 1.00 0.00 N ATOM 1189 CA LEU A 81 -9.851 2.298 0.285 1.00 0.00 C ATOM 1190 C LEU A 81 -9.103 2.166 1.607 1.00 0.00 C ATOM 1191 O LEU A 81 -9.310 1.213 2.357 1.00 0.00 O ATOM 1192 CB LEU A 81 -8.854 2.385 -0.872 1.00 0.00 C ATOM 1193 CG LEU A 81 -9.431 2.169 -2.272 1.00 0.00 C ATOM 1194 CD1 LEU A 81 -8.358 2.382 -3.329 1.00 0.00 C ATOM 1195 CD2 LEU A 81 -10.032 0.776 -2.392 1.00 0.00 C ATOM 0 H LEU A 81 -10.520 4.148 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.476 1.415 0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.379 3.366 -0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.070 1.647 -0.706 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.223 2.900 -2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.786 2.224 -4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.974 3.400 -3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.544 1.675 -3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.438 0.640 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.259 0.029 -2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.830 0.660 -1.659 1.00 0.00 H new ATOM 1207 N GLY A 82 -8.232 3.131 1.888 1.00 0.00 N ATOM 1208 CA GLY A 82 -7.468 3.105 3.122 1.00 0.00 C ATOM 1209 C GLY A 82 -8.334 2.828 4.335 1.00 0.00 C ATOM 1210 O GLY A 82 -8.122 1.847 5.046 1.00 0.00 O ATOM 0 H GLY A 82 -8.042 3.930 1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.694 2.341 3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.961 4.061 3.252 1.00 0.00 H new ATOM 1214 N GLY A 83 -9.312 3.697 4.573 1.00 0.00 N ATOM 1215 CA GLY A 83 -10.197 3.524 5.710 1.00 0.00 C ATOM 1216 C GLY A 83 -10.870 2.166 5.720 1.00 0.00 C ATOM 1217 O GLY A 83 -11.018 1.549 6.774 1.00 0.00 O ATOM 0 H GLY A 83 -9.507 4.517 3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.629 3.651 6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.959 4.303 5.695 1.00 0.00 H new ATOM 1221 N GLN A 84 -11.279 1.701 4.544 1.00 0.00 N ATOM 1222 CA GLN A 84 -11.942 0.408 4.423 1.00 0.00 C ATOM 1223 C GLN A 84 -11.090 -0.700 5.032 1.00 0.00 C ATOM 1224 O GLN A 84 -11.575 -1.804 5.280 1.00 0.00 O ATOM 1225 CB GLN A 84 -12.232 0.096 2.954 1.00 0.00 C ATOM 1226 CG GLN A 84 -12.919 -1.244 2.741 1.00 0.00 C ATOM 1227 CD GLN A 84 -13.555 -1.362 1.370 1.00 0.00 C ATOM 1228 OE1 GLN A 84 -14.771 -1.229 1.224 1.00 0.00 O ATOM 1229 NE2 GLN A 84 -12.735 -1.612 0.356 1.00 0.00 N ATOM 0 H GLN A 84 -11.163 2.200 3.662 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.884 0.458 4.969 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.859 0.886 2.540 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -11.295 0.107 2.397 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.192 -2.046 2.870 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.684 -1.381 3.505 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.734 -1.715 0.523 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.106 -1.701 -0.590 1.00 0.00 H new ATOM 1238 N TYR A 85 -9.819 -0.398 5.271 1.00 0.00 N ATOM 1239 CA TYR A 85 -8.898 -1.370 5.849 1.00 0.00 C ATOM 1240 C TYR A 85 -8.556 -1.007 7.291 1.00 0.00 C ATOM 1241 O TYR A 85 -8.440 -1.878 8.152 1.00 0.00 O ATOM 1242 CB TYR A 85 -7.618 -1.450 5.015 1.00 0.00 C ATOM 1243 CG TYR A 85 -7.765 -2.278 3.758 1.00 0.00 C ATOM 1244 CD1 TYR A 85 -8.589 -1.860 2.720 1.00 0.00 C ATOM 1245 CD2 TYR A 85 -7.081 -3.478 3.609 1.00 0.00 C ATOM 1246 CE1 TYR A 85 -8.727 -2.614 1.570 1.00 0.00 C ATOM 1247 CE2 TYR A 85 -7.212 -4.237 2.463 1.00 0.00 C ATOM 1248 CZ TYR A 85 -8.036 -3.801 1.446 1.00 0.00 C ATOM 1249 OH TYR A 85 -8.170 -4.555 0.303 1.00 0.00 O ATOM 0 H TYR A 85 -9.403 0.512 5.074 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.388 -2.343 5.845 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.309 -0.441 4.741 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.821 -1.872 5.627 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.131 -0.930 2.814 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.436 -3.823 4.403 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.372 -2.276 0.773 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.672 -5.167 2.363 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.684 -4.125 -0.431 1.00 0.00 H new ATOM 1259 N GLY A 86 -8.397 0.289 7.546 1.00 0.00 N ATOM 1260 CA GLY A 86 -8.072 0.746 8.884 1.00 0.00 C ATOM 1261 C GLY A 86 -7.137 1.940 8.877 1.00 0.00 C ATOM 1262 O GLY A 86 -6.948 2.596 9.902 1.00 0.00 O ATOM 0 H GLY A 86 -8.488 1.029 6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.991 1.011 9.408 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.611 -0.069 9.441 1.00 0.00 H new ATOM 1266 N VAL A 87 -6.549 2.222 7.719 1.00 0.00 N ATOM 1267 CA VAL A 87 -5.628 3.344 7.583 1.00 0.00 C ATOM 1268 C VAL A 87 -6.141 4.570 8.331 1.00 0.00 C ATOM 1269 O VAL A 87 -7.249 5.043 8.081 1.00 0.00 O ATOM 1270 CB VAL A 87 -5.409 3.714 6.104 1.00 0.00 C ATOM 1271 CG1 VAL A 87 -4.374 4.822 5.978 1.00 0.00 C ATOM 1272 CG2 VAL A 87 -4.989 2.489 5.306 1.00 0.00 C ATOM 0 H VAL A 87 -6.694 1.689 6.862 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.679 3.028 8.016 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.351 4.081 5.696 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.233 5.070 4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.719 5.705 6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.428 4.486 6.402 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.838 2.768 4.263 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.059 2.091 5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.768 1.729 5.369 1.00 0.00 H new ATOM 1282 N GLN A 88 -5.327 5.079 9.250 1.00 0.00 N ATOM 1283 CA GLN A 88 -5.699 6.250 10.035 1.00 0.00 C ATOM 1284 C GLN A 88 -4.604 7.311 9.983 1.00 0.00 C ATOM 1285 O GLN A 88 -4.881 8.507 10.053 1.00 0.00 O ATOM 1286 CB GLN A 88 -5.970 5.852 11.487 1.00 0.00 C ATOM 1287 CG GLN A 88 -4.731 5.381 12.230 1.00 0.00 C ATOM 1288 CD GLN A 88 -5.063 4.678 13.532 1.00 0.00 C ATOM 1289 OE1 GLN A 88 -5.376 5.320 14.535 1.00 0.00 O ATOM 1290 NE2 GLN A 88 -4.997 3.352 13.523 1.00 0.00 N ATOM 0 H GLN A 88 -4.406 4.699 9.469 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.608 6.670 9.605 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.398 6.704 12.015 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.717 5.059 11.504 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.164 4.704 11.591 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -4.089 6.237 12.437 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -4.733 2.860 12.669 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -5.210 2.825 14.370 1.00 0.00 H new ATOM 1299 N GLY A 89 -3.358 6.863 9.858 1.00 0.00 N ATOM 1300 CA GLY A 89 -2.240 7.787 9.799 1.00 0.00 C ATOM 1301 C GLY A 89 -1.218 7.393 8.751 1.00 0.00 C ATOM 1302 O GLY A 89 -0.631 6.313 8.821 1.00 0.00 O ATOM 0 H GLY A 89 -3.103 5.877 9.797 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.611 8.789 9.582 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.757 7.831 10.775 1.00 0.00 H new ATOM 1306 N PHE A 90 -1.004 8.271 7.776 1.00 0.00 N ATOM 1307 CA PHE A 90 -0.047 8.008 6.708 1.00 0.00 C ATOM 1308 C PHE A 90 1.319 8.600 7.043 1.00 0.00 C ATOM 1309 O PHE A 90 1.446 9.504 7.870 1.00 0.00 O ATOM 1310 CB PHE A 90 -0.556 8.586 5.386 1.00 0.00 C ATOM 1311 CG PHE A 90 -2.038 8.830 5.369 1.00 0.00 C ATOM 1312 CD1 PHE A 90 -2.911 7.911 5.927 1.00 0.00 C ATOM 1313 CD2 PHE A 90 -2.557 9.979 4.795 1.00 0.00 C ATOM 1314 CE1 PHE A 90 -4.275 8.133 5.912 1.00 0.00 C ATOM 1315 CE2 PHE A 90 -3.921 10.207 4.777 1.00 0.00 C ATOM 1316 CZ PHE A 90 -4.780 9.283 5.337 1.00 0.00 C ATOM 0 H PHE A 90 -1.480 9.170 7.704 1.00 0.00 H new ATOM 0 HA PHE A 90 0.060 6.928 6.608 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.039 9.525 5.186 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.299 7.902 4.577 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.521 7.011 6.379 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.889 10.705 4.356 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.945 7.408 6.349 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.313 11.106 4.326 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.846 9.459 5.326 1.00 0.00 H new ATOM 1326 N PRO A 91 2.366 8.079 6.387 1.00 0.00 N ATOM 1327 CA PRO A 91 2.227 7.003 5.402 1.00 0.00 C ATOM 1328 C PRO A 91 1.844 5.674 6.044 1.00 0.00 C ATOM 1329 O PRO A 91 2.270 5.365 7.157 1.00 0.00 O ATOM 1330 CB PRO A 91 3.621 6.912 4.777 1.00 0.00 C ATOM 1331 CG PRO A 91 4.541 7.441 5.823 1.00 0.00 C ATOM 1332 CD PRO A 91 3.767 8.500 6.557 1.00 0.00 C ATOM 0 HA PRO A 91 1.435 7.210 4.683 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.870 5.884 4.514 1.00 0.00 H new ATOM 0 HB3 PRO A 91 3.683 7.500 3.861 1.00 0.00 H new ATOM 0 HG2 PRO A 91 4.858 6.649 6.501 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.443 7.857 5.375 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.048 8.546 7.609 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.943 9.490 6.137 1.00 0.00 H new ATOM 1340 N THR A 92 1.036 4.891 5.336 1.00 0.00 N ATOM 1341 CA THR A 92 0.595 3.596 5.838 1.00 0.00 C ATOM 1342 C THR A 92 0.795 2.504 4.793 1.00 0.00 C ATOM 1343 O THR A 92 0.036 2.410 3.828 1.00 0.00 O ATOM 1344 CB THR A 92 -0.889 3.629 6.251 1.00 0.00 C ATOM 1345 OG1 THR A 92 -1.031 4.293 7.512 1.00 0.00 O ATOM 1346 CG2 THR A 92 -1.456 2.221 6.347 1.00 0.00 C ATOM 0 H THR A 92 0.674 5.131 4.413 1.00 0.00 H new ATOM 0 HA THR A 92 1.204 3.373 6.714 1.00 0.00 H new ATOM 0 HB THR A 92 -1.444 4.175 5.488 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.585 5.165 7.475 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.505 2.270 6.640 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.373 1.728 5.378 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.898 1.654 7.092 1.00 0.00 H new ATOM 1354 N ILE A 93 1.819 1.681 4.993 1.00 0.00 N ATOM 1355 CA ILE A 93 2.117 0.595 4.068 1.00 0.00 C ATOM 1356 C ILE A 93 1.436 -0.699 4.502 1.00 0.00 C ATOM 1357 O ILE A 93 1.502 -1.087 5.669 1.00 0.00 O ATOM 1358 CB ILE A 93 3.633 0.351 3.955 1.00 0.00 C ATOM 1359 CG1 ILE A 93 4.350 1.640 3.546 1.00 0.00 C ATOM 1360 CG2 ILE A 93 3.918 -0.760 2.956 1.00 0.00 C ATOM 1361 CD1 ILE A 93 5.791 1.700 4.000 1.00 0.00 C ATOM 0 H ILE A 93 2.456 1.746 5.787 1.00 0.00 H new ATOM 0 HA ILE A 93 1.733 0.896 3.094 1.00 0.00 H new ATOM 0 HB ILE A 93 4.010 0.041 4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.315 1.737 2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.811 2.493 3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.994 -0.920 2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.434 -1.679 3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.530 -0.478 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.236 2.641 3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.833 1.635 5.087 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.344 0.868 3.565 1.00 0.00 H new ATOM 1373 N LYS A 94 0.784 -1.365 3.555 1.00 0.00 N ATOM 1374 CA LYS A 94 0.093 -2.617 3.837 1.00 0.00 C ATOM 1375 C LYS A 94 0.556 -3.719 2.890 1.00 0.00 C ATOM 1376 O LYS A 94 0.671 -3.505 1.683 1.00 0.00 O ATOM 1377 CB LYS A 94 -1.420 -2.428 3.715 1.00 0.00 C ATOM 1378 CG LYS A 94 -2.047 -1.741 4.916 1.00 0.00 C ATOM 1379 CD LYS A 94 -2.262 -2.713 6.064 1.00 0.00 C ATOM 1380 CE LYS A 94 -3.247 -2.161 7.084 1.00 0.00 C ATOM 1381 NZ LYS A 94 -3.605 -3.175 8.114 1.00 0.00 N ATOM 0 H LYS A 94 0.720 -1.058 2.584 1.00 0.00 H new ATOM 0 HA LYS A 94 0.334 -2.914 4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.633 -1.843 2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.889 -3.402 3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.405 -0.924 5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.001 -1.300 4.627 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.633 -3.661 5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.309 -2.919 6.551 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.815 -1.286 7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.150 -1.828 6.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.278 -2.760 8.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.041 -3.999 7.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.747 -3.475 8.619 1.00 0.00 H new ATOM 1395 N ILE A 95 0.820 -4.898 3.444 1.00 0.00 N ATOM 1396 CA ILE A 95 1.268 -6.033 2.648 1.00 0.00 C ATOM 1397 C ILE A 95 0.117 -6.993 2.363 1.00 0.00 C ATOM 1398 O ILE A 95 -0.647 -7.347 3.261 1.00 0.00 O ATOM 1399 CB ILE A 95 2.401 -6.802 3.351 1.00 0.00 C ATOM 1400 CG1 ILE A 95 3.613 -5.892 3.559 1.00 0.00 C ATOM 1401 CG2 ILE A 95 2.788 -8.032 2.543 1.00 0.00 C ATOM 1402 CD1 ILE A 95 4.431 -6.243 4.781 1.00 0.00 C ATOM 0 H ILE A 95 0.731 -5.091 4.442 1.00 0.00 H new ATOM 0 HA ILE A 95 1.643 -5.630 1.707 1.00 0.00 H new ATOM 0 HB ILE A 95 2.045 -7.130 4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.252 -5.944 2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.272 -4.860 3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.590 -8.565 3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.923 -8.688 2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.128 -7.725 1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.273 -5.556 4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.808 -6.163 5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.803 -7.264 4.689 1.00 0.00 H new ATOM 1414 N PHE A 96 0.001 -7.413 1.108 1.00 0.00 N ATOM 1415 CA PHE A 96 -1.056 -8.333 0.704 1.00 0.00 C ATOM 1416 C PHE A 96 -0.472 -9.676 0.274 1.00 0.00 C ATOM 1417 O PHE A 96 0.432 -9.735 -0.557 1.00 0.00 O ATOM 1418 CB PHE A 96 -1.876 -7.732 -0.439 1.00 0.00 C ATOM 1419 CG PHE A 96 -2.832 -6.663 0.008 1.00 0.00 C ATOM 1420 CD1 PHE A 96 -2.364 -5.434 0.445 1.00 0.00 C ATOM 1421 CD2 PHE A 96 -4.200 -6.887 -0.009 1.00 0.00 C ATOM 1422 CE1 PHE A 96 -3.241 -4.448 0.857 1.00 0.00 C ATOM 1423 CE2 PHE A 96 -5.081 -5.905 0.401 1.00 0.00 C ATOM 1424 CZ PHE A 96 -4.601 -4.684 0.835 1.00 0.00 C ATOM 0 H PHE A 96 0.626 -7.131 0.353 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.708 -8.497 1.562 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -1.197 -7.314 -1.182 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -2.436 -8.527 -0.931 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.301 -5.244 0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.581 -7.840 -0.346 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.863 -3.495 1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -6.145 -6.092 0.382 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.289 -3.916 1.156 1.00 0.00 H new ATOM 1434 N GLY A 97 -0.998 -10.754 0.849 1.00 0.00 N ATOM 1435 CA GLY A 97 -0.517 -12.082 0.514 1.00 0.00 C ATOM 1436 C GLY A 97 -1.451 -13.175 0.996 1.00 0.00 C ATOM 1437 O GLY A 97 -2.388 -13.554 0.295 1.00 0.00 O ATOM 0 H GLY A 97 -1.748 -10.731 1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.398 -12.160 -0.567 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.469 -12.230 0.955 1.00 0.00 H new ATOM 1441 N ALA A 98 -1.193 -13.684 2.196 1.00 0.00 N ATOM 1442 CA ALA A 98 -2.017 -14.740 2.771 1.00 0.00 C ATOM 1443 C ALA A 98 -3.500 -14.460 2.552 1.00 0.00 C ATOM 1444 O ALA A 98 -4.198 -15.236 1.902 1.00 0.00 O ATOM 1445 CB ALA A 98 -1.720 -14.891 4.256 1.00 0.00 C ATOM 0 H ALA A 98 -0.420 -13.382 2.789 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.772 -15.674 2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.342 -15.683 4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.669 -15.145 4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.936 -13.953 4.767 1.00 0.00 H new ATOM 1451 N ASN A 99 -3.974 -13.345 3.099 1.00 0.00 N ATOM 1452 CA ASN A 99 -5.375 -12.964 2.964 1.00 0.00 C ATOM 1453 C ASN A 99 -5.505 -11.595 2.302 1.00 0.00 C ATOM 1454 O ASN A 99 -5.260 -10.564 2.928 1.00 0.00 O ATOM 1455 CB ASN A 99 -6.055 -12.946 4.334 1.00 0.00 C ATOM 1456 CG ASN A 99 -7.555 -12.748 4.233 1.00 0.00 C ATOM 1457 OD1 ASN A 99 -8.142 -12.902 3.162 1.00 0.00 O ATOM 1458 ND2 ASN A 99 -8.183 -12.403 5.351 1.00 0.00 N ATOM 0 H ASN A 99 -3.409 -12.690 3.639 1.00 0.00 H new ATOM 0 HA ASN A 99 -5.867 -13.703 2.331 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.849 -13.883 4.851 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.626 -12.147 4.939 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.192 -12.255 5.344 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.656 -12.286 6.217 1.00 0.00 H new ATOM 1465 N LYS A 100 -5.892 -11.593 1.031 1.00 0.00 N ATOM 1466 CA LYS A 100 -6.057 -10.353 0.282 1.00 0.00 C ATOM 1467 C LYS A 100 -7.102 -9.456 0.939 1.00 0.00 C ATOM 1468 O LYS A 100 -7.137 -8.250 0.699 1.00 0.00 O ATOM 1469 CB LYS A 100 -6.463 -10.655 -1.162 1.00 0.00 C ATOM 1470 CG LYS A 100 -5.310 -11.128 -2.031 1.00 0.00 C ATOM 1471 CD LYS A 100 -4.167 -10.127 -2.036 1.00 0.00 C ATOM 1472 CE LYS A 100 -3.200 -10.391 -3.179 1.00 0.00 C ATOM 1473 NZ LYS A 100 -2.354 -11.590 -2.924 1.00 0.00 N ATOM 0 H LYS A 100 -6.098 -12.438 0.497 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.102 -9.828 0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.242 -11.417 -1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.896 -9.758 -1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.950 -12.090 -1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.662 -11.284 -3.051 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.567 -9.117 -2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.633 -10.178 -1.087 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.760 -10.532 -4.103 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.561 -9.520 -3.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.732 -11.756 -3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.775 -11.432 -2.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.963 -12.420 -2.778 1.00 0.00 H new ATOM 1487 N ASN A 101 -7.951 -10.054 1.768 1.00 0.00 N ATOM 1488 CA ASN A 101 -8.996 -9.309 2.460 1.00 0.00 C ATOM 1489 C ASN A 101 -8.453 -8.662 3.731 1.00 0.00 C ATOM 1490 O ASN A 101 -8.963 -7.638 4.187 1.00 0.00 O ATOM 1491 CB ASN A 101 -10.167 -10.232 2.804 1.00 0.00 C ATOM 1492 CG ASN A 101 -11.207 -10.282 1.702 1.00 0.00 C ATOM 1493 OD1 ASN A 101 -12.174 -9.521 1.710 1.00 0.00 O ATOM 1494 ND2 ASN A 101 -11.012 -11.183 0.746 1.00 0.00 N ATOM 0 H ASN A 101 -7.936 -11.052 1.977 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.347 -8.521 1.794 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -9.791 -11.238 2.990 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -10.636 -9.891 3.727 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -11.678 -11.264 -0.022 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -10.196 -11.794 0.780 1.00 0.00 H new ATOM 1501 N LYS A 102 -7.414 -9.266 4.298 1.00 0.00 N ATOM 1502 CA LYS A 102 -6.800 -8.749 5.515 1.00 0.00 C ATOM 1503 C LYS A 102 -5.279 -8.750 5.399 1.00 0.00 C ATOM 1504 O LYS A 102 -4.608 -9.732 5.717 1.00 0.00 O ATOM 1505 CB LYS A 102 -7.230 -9.585 6.723 1.00 0.00 C ATOM 1506 CG LYS A 102 -8.726 -9.839 6.785 1.00 0.00 C ATOM 1507 CD LYS A 102 -9.105 -10.637 8.021 1.00 0.00 C ATOM 1508 CE LYS A 102 -10.355 -11.471 7.785 1.00 0.00 C ATOM 1509 NZ LYS A 102 -10.378 -12.691 8.637 1.00 0.00 N ATOM 0 H LYS A 102 -6.980 -10.114 3.934 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.136 -7.721 5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.708 -10.542 6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.918 -9.077 7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.258 -8.888 6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.042 -10.378 5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.278 -11.290 8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.272 -9.958 8.857 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.239 -10.867 7.992 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.405 -11.760 6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.246 -13.232 8.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.549 -13.280 8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.356 -12.415 9.639 1.00 0.00 H new ATOM 1523 N PRO A 103 -4.719 -7.623 4.933 1.00 0.00 N ATOM 1524 CA PRO A 103 -3.271 -7.468 4.766 1.00 0.00 C ATOM 1525 C PRO A 103 -2.538 -7.396 6.101 1.00 0.00 C ATOM 1526 O PRO A 103 -3.163 -7.357 7.160 1.00 0.00 O ATOM 1527 CB PRO A 103 -3.141 -6.143 4.012 1.00 0.00 C ATOM 1528 CG PRO A 103 -4.374 -5.385 4.362 1.00 0.00 C ATOM 1529 CD PRO A 103 -5.458 -6.413 4.533 1.00 0.00 C ATOM 0 HA PRO A 103 -2.828 -8.316 4.244 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.244 -5.602 4.314 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.068 -6.305 2.937 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.232 -4.811 5.278 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.631 -4.674 3.577 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.180 -6.113 5.293 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.014 -6.569 3.608 1.00 0.00 H new ATOM 1537 N GLU A 104 -1.210 -7.378 6.042 1.00 0.00 N ATOM 1538 CA GLU A 104 -0.394 -7.311 7.248 1.00 0.00 C ATOM 1539 C GLU A 104 0.065 -5.880 7.515 1.00 0.00 C ATOM 1540 O GLU A 104 -0.044 -5.010 6.651 1.00 0.00 O ATOM 1541 CB GLU A 104 0.822 -8.232 7.119 1.00 0.00 C ATOM 1542 CG GLU A 104 0.460 -9.694 6.923 1.00 0.00 C ATOM 1543 CD GLU A 104 -0.018 -10.354 8.202 1.00 0.00 C ATOM 1544 OE1 GLU A 104 0.613 -10.129 9.256 1.00 0.00 O ATOM 1545 OE2 GLU A 104 -1.022 -11.095 8.149 1.00 0.00 O ATOM 0 H GLU A 104 -0.677 -7.409 5.173 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.004 -7.642 8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.430 -7.901 6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.437 -8.135 8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.319 -9.773 6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.329 -10.232 6.544 1.00 0.00 H new ATOM 1552 N ASP A 105 0.576 -5.645 8.718 1.00 0.00 N ATOM 1553 CA ASP A 105 1.052 -4.320 9.101 1.00 0.00 C ATOM 1554 C ASP A 105 2.539 -4.168 8.798 1.00 0.00 C ATOM 1555 O ASP A 105 3.386 -4.710 9.509 1.00 0.00 O ATOM 1556 CB ASP A 105 0.793 -4.072 10.588 1.00 0.00 C ATOM 1557 CG ASP A 105 1.028 -5.310 11.431 1.00 0.00 C ATOM 1558 OD1 ASP A 105 0.238 -6.270 11.308 1.00 0.00 O ATOM 1559 OD2 ASP A 105 2.002 -5.320 12.212 1.00 0.00 O ATOM 0 H ASP A 105 0.672 -6.354 9.445 1.00 0.00 H new ATOM 0 HA ASP A 105 0.504 -3.581 8.517 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.442 -3.269 10.938 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -0.234 -3.733 10.723 1.00 0.00 H new ATOM 1564 N TYR A 106 2.849 -3.430 7.739 1.00 0.00 N ATOM 1565 CA TYR A 106 4.234 -3.210 7.340 1.00 0.00 C ATOM 1566 C TYR A 106 5.039 -2.594 8.481 1.00 0.00 C ATOM 1567 O TYR A 106 4.954 -1.393 8.736 1.00 0.00 O ATOM 1568 CB TYR A 106 4.295 -2.301 6.111 1.00 0.00 C ATOM 1569 CG TYR A 106 5.686 -2.147 5.539 1.00 0.00 C ATOM 1570 CD1 TYR A 106 6.562 -1.192 6.041 1.00 0.00 C ATOM 1571 CD2 TYR A 106 6.125 -2.955 4.498 1.00 0.00 C ATOM 1572 CE1 TYR A 106 7.834 -1.047 5.522 1.00 0.00 C ATOM 1573 CE2 TYR A 106 7.395 -2.818 3.974 1.00 0.00 C ATOM 1574 CZ TYR A 106 8.246 -1.862 4.489 1.00 0.00 C ATOM 1575 OH TYR A 106 9.512 -1.722 3.968 1.00 0.00 O ATOM 0 H TYR A 106 2.160 -2.974 7.141 1.00 0.00 H new ATOM 0 HA TYR A 106 4.671 -4.177 7.091 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.637 -2.702 5.340 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.910 -1.317 6.378 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.243 -0.552 6.851 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.461 -3.704 4.091 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.502 -0.299 5.923 1.00 0.00 H new ATOM 0 HE2 TYR A 106 7.720 -3.456 3.165 1.00 0.00 H new ATOM 0 HH TYR A 106 10.055 -2.499 4.216 1.00 0.00 H new ATOM 1654 N GLY A 112 13.462 2.452 0.008 1.00 0.00 N ATOM 1655 CA GLY A 112 13.491 1.638 -1.194 1.00 0.00 C ATOM 1656 C GLY A 112 14.193 0.312 -0.979 1.00 0.00 C ATOM 1657 O GLY A 112 13.776 -0.712 -1.518 1.00 0.00 O ATOM 0 HA2 GLY A 112 12.470 1.455 -1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.995 2.188 -1.989 1.00 0.00 H new ATOM 1661 N GLU A 113 15.262 0.331 -0.189 1.00 0.00 N ATOM 1662 CA GLU A 113 16.024 -0.879 0.093 1.00 0.00 C ATOM 1663 C GLU A 113 15.264 -1.790 1.053 1.00 0.00 C ATOM 1664 O GLU A 113 14.994 -2.950 0.742 1.00 0.00 O ATOM 1665 CB GLU A 113 17.390 -0.523 0.685 1.00 0.00 C ATOM 1666 CG GLU A 113 17.907 0.837 0.246 1.00 0.00 C ATOM 1667 CD GLU A 113 19.422 0.896 0.195 1.00 0.00 C ATOM 1668 OE1 GLU A 113 20.039 -0.100 -0.236 1.00 0.00 O ATOM 1669 OE2 GLU A 113 19.989 1.937 0.586 1.00 0.00 O ATOM 0 H GLU A 113 15.619 1.171 0.267 1.00 0.00 H new ATOM 0 HA GLU A 113 16.171 -1.411 -0.847 1.00 0.00 H new ATOM 0 HB2 GLU A 113 17.322 -0.543 1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 113 18.112 -1.287 0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 113 17.504 1.074 -0.739 1.00 0.00 H new ATOM 0 HG3 GLU A 113 17.540 1.600 0.933 1.00 0.00 H new ATOM 1676 N ALA A 114 14.922 -1.255 2.220 1.00 0.00 N ATOM 1677 CA ALA A 114 14.191 -2.018 3.225 1.00 0.00 C ATOM 1678 C ALA A 114 12.941 -2.654 2.629 1.00 0.00 C ATOM 1679 O ALA A 114 12.667 -3.834 2.851 1.00 0.00 O ATOM 1680 CB ALA A 114 13.823 -1.125 4.400 1.00 0.00 C ATOM 0 H ALA A 114 15.139 -0.297 2.493 1.00 0.00 H new ATOM 0 HA ALA A 114 14.839 -2.819 3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.278 -1.707 5.143 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.731 -0.723 4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 114 13.196 -0.304 4.051 1.00 0.00 H new ATOM 1686 N ILE A 115 12.184 -1.866 1.873 1.00 0.00 N ATOM 1687 CA ILE A 115 10.963 -2.354 1.245 1.00 0.00 C ATOM 1688 C ILE A 115 11.234 -3.599 0.408 1.00 0.00 C ATOM 1689 O ILE A 115 10.451 -4.549 0.416 1.00 0.00 O ATOM 1690 CB ILE A 115 10.321 -1.277 0.350 1.00 0.00 C ATOM 1691 CG1 ILE A 115 10.028 -0.015 1.163 1.00 0.00 C ATOM 1692 CG2 ILE A 115 9.047 -1.809 -0.289 1.00 0.00 C ATOM 1693 CD1 ILE A 115 10.111 1.260 0.352 1.00 0.00 C ATOM 0 H ILE A 115 12.395 -0.887 1.681 1.00 0.00 H new ATOM 0 HA ILE A 115 10.273 -2.604 2.051 1.00 0.00 H new ATOM 0 HB ILE A 115 11.023 -1.021 -0.444 1.00 0.00 H new ATOM 0 HG12 ILE A 115 9.031 -0.096 1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 115 10.733 0.045 1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.605 -1.036 -0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.282 -2.682 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.339 -2.091 0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 115 9.892 2.114 0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 115 11.115 1.364 -0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 115 9.387 1.222 -0.462 1.00 0.00 H new ATOM 1705 N VAL A 116 12.351 -3.589 -0.313 1.00 0.00 N ATOM 1706 CA VAL A 116 12.728 -4.719 -1.154 1.00 0.00 C ATOM 1707 C VAL A 116 12.883 -5.991 -0.328 1.00 0.00 C ATOM 1708 O VAL A 116 12.436 -7.064 -0.733 1.00 0.00 O ATOM 1709 CB VAL A 116 14.044 -4.444 -1.906 1.00 0.00 C ATOM 1710 CG1 VAL A 116 14.574 -5.721 -2.540 1.00 0.00 C ATOM 1711 CG2 VAL A 116 13.842 -3.362 -2.956 1.00 0.00 C ATOM 0 H VAL A 116 13.010 -2.811 -0.331 1.00 0.00 H new ATOM 0 HA VAL A 116 11.926 -4.856 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 116 14.784 -4.089 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 116 15.504 -5.507 -3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 116 14.759 -6.463 -1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 116 13.839 -6.109 -3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.782 -3.181 -3.477 1.00 0.00 H new ATOM 0 HG22 VAL A 116 13.087 -3.686 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 116 13.512 -2.443 -2.472 1.00 0.00 H new ATOM 1721 N ASP A 117 13.519 -5.863 0.831 1.00 0.00 N ATOM 1722 CA ASP A 117 13.732 -7.002 1.716 1.00 0.00 C ATOM 1723 C ASP A 117 12.423 -7.434 2.370 1.00 0.00 C ATOM 1724 O ASP A 117 12.201 -8.620 2.611 1.00 0.00 O ATOM 1725 CB ASP A 117 14.763 -6.654 2.791 1.00 0.00 C ATOM 1726 CG ASP A 117 15.481 -7.879 3.322 1.00 0.00 C ATOM 1727 OD1 ASP A 117 16.466 -8.311 2.687 1.00 0.00 O ATOM 1728 OD2 ASP A 117 15.058 -8.407 4.372 1.00 0.00 O ATOM 0 H ASP A 117 13.896 -4.982 1.180 1.00 0.00 H new ATOM 0 HA ASP A 117 14.109 -7.831 1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.494 -5.959 2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.266 -6.142 3.615 1.00 0.00 H new ATOM 1733 N ALA A 118 11.561 -6.464 2.655 1.00 0.00 N ATOM 1734 CA ALA A 118 10.275 -6.744 3.280 1.00 0.00 C ATOM 1735 C ALA A 118 9.364 -7.523 2.337 1.00 0.00 C ATOM 1736 O ALA A 118 8.773 -8.531 2.722 1.00 0.00 O ATOM 1737 CB ALA A 118 9.605 -5.449 3.714 1.00 0.00 C ATOM 0 H ALA A 118 11.730 -5.477 2.463 1.00 0.00 H new ATOM 0 HA ALA A 118 10.454 -7.360 4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.645 -5.674 4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 118 10.243 -4.932 4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.446 -4.812 2.844 1.00 0.00 H new ATOM 1743 N ALA A 119 9.256 -7.048 1.100 1.00 0.00 N ATOM 1744 CA ALA A 119 8.418 -7.701 0.102 1.00 0.00 C ATOM 1745 C ALA A 119 8.835 -9.154 -0.099 1.00 0.00 C ATOM 1746 O ALA A 119 7.991 -10.047 -0.181 1.00 0.00 O ATOM 1747 CB ALA A 119 8.481 -6.944 -1.216 1.00 0.00 C ATOM 0 H ALA A 119 9.738 -6.214 0.766 1.00 0.00 H new ATOM 0 HA ALA A 119 7.390 -7.693 0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.851 -7.442 -1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 119 8.127 -5.924 -1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.510 -6.923 -1.574 1.00 0.00 H new ATOM 1753 N LEU A 120 10.141 -9.383 -0.180 1.00 0.00 N ATOM 1754 CA LEU A 120 10.670 -10.729 -0.373 1.00 0.00 C ATOM 1755 C LEU A 120 10.355 -11.615 0.828 1.00 0.00 C ATOM 1756 O LEU A 120 9.764 -12.685 0.684 1.00 0.00 O ATOM 1757 CB LEU A 120 12.182 -10.676 -0.599 1.00 0.00 C ATOM 1758 CG LEU A 120 12.646 -9.963 -1.870 1.00 0.00 C ATOM 1759 CD1 LEU A 120 14.039 -9.384 -1.679 1.00 0.00 C ATOM 1760 CD2 LEU A 120 12.621 -10.917 -3.056 1.00 0.00 C ATOM 0 H LEU A 120 10.853 -8.655 -0.115 1.00 0.00 H new ATOM 0 HA LEU A 120 10.192 -11.158 -1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.640 -10.183 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.562 -11.697 -0.620 1.00 0.00 H new ATOM 0 HG LEU A 120 11.959 -9.142 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 120 14.352 -8.881 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 120 14.026 -8.668 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 120 14.739 -10.188 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 120 12.954 -10.393 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 120 13.285 -11.759 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.606 -11.284 -3.207 1.00 0.00 H new ATOM 1772 N SER A 121 10.753 -11.162 2.012 1.00 0.00 N ATOM 1773 CA SER A 121 10.515 -11.914 3.238 1.00 0.00 C ATOM 1774 C SER A 121 9.102 -12.490 3.257 1.00 0.00 C ATOM 1775 O SER A 121 8.894 -13.639 3.643 1.00 0.00 O ATOM 1776 CB SER A 121 10.729 -11.019 4.461 1.00 0.00 C ATOM 1777 OG SER A 121 11.051 -11.789 5.606 1.00 0.00 O ATOM 0 H SER A 121 11.242 -10.277 2.148 1.00 0.00 H new ATOM 0 HA SER A 121 11.226 -12.739 3.272 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.530 -10.308 4.260 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.827 -10.437 4.652 1.00 0.00 H new ATOM 0 HG SER A 121 11.185 -11.194 6.373 1.00 0.00 H new ATOM 1783 N ALA A 122 8.135 -11.681 2.836 1.00 0.00 N ATOM 1784 CA ALA A 122 6.742 -12.110 2.801 1.00 0.00 C ATOM 1785 C ALA A 122 6.501 -13.103 1.670 1.00 0.00 C ATOM 1786 O ALA A 122 5.876 -14.146 1.868 1.00 0.00 O ATOM 1787 CB ALA A 122 5.823 -10.906 2.654 1.00 0.00 C ATOM 0 H ALA A 122 8.291 -10.726 2.515 1.00 0.00 H new ATOM 0 HA ALA A 122 6.518 -12.612 3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.786 -11.241 2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 122 5.967 -10.233 3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.057 -10.381 1.728 1.00 0.00 H new