USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 441 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 18 ASN : amide:sc= -2.6 K(o=-2.3,f=-3.6!) USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0.274 USER MOD Single : A 16 MET CE :methyl 179:sc= -1.85 (180deg=-1.87) USER MOD Single : A 34 SER OG : rot 180:sc= -0.433 USER MOD Single : A 36 ASN : amide:sc=-0.00146 X(o=-0.0015,f=-0.14) USER MOD Single : A 38 SER OG : rot 180:sc= -0.87 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -1.23! C(o=-1.2!,f=-12!) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.299 K(o=-0.3,f=-2.3!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 77 ASN : amide:sc= -0.0105 X(o=-0.01,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 162:sc= -7.24! (180deg=-8.43!) USER MOD Single : A 94 HIS : no HD1:sc= -0.0423 X(o=-0.042,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 122 N VAL A 12 -13.296 -9.710 -0.637 1.00 0.00 N ATOM 123 CA VAL A 12 -11.951 -10.100 -1.023 1.00 0.00 C ATOM 124 C VAL A 12 -11.711 -11.556 -0.618 1.00 0.00 C ATOM 125 O VAL A 12 -12.133 -11.983 0.455 1.00 0.00 O ATOM 126 CB VAL A 12 -10.931 -9.135 -0.416 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.506 -9.516 -0.822 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.244 -7.689 -0.807 1.00 0.00 C ATOM 0 HA VAL A 12 -11.832 -10.039 -2.105 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.002 -9.212 0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.801 -8.814 -0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.285 -10.524 -0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.416 -9.482 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.504 -7.024 -0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.215 -7.591 -1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.237 -7.421 -0.445 1.00 0.00 H new ATOM 138 N PRO A 13 -11.015 -12.297 -1.522 1.00 0.00 N ATOM 139 CA PRO A 13 -10.714 -13.696 -1.269 1.00 0.00 C ATOM 140 C PRO A 13 -9.592 -13.837 -0.238 1.00 0.00 C ATOM 141 O PRO A 13 -9.186 -12.855 0.381 1.00 0.00 O ATOM 142 CB PRO A 13 -10.348 -14.271 -2.628 1.00 0.00 C ATOM 143 CG PRO A 13 -10.007 -13.079 -3.507 1.00 0.00 C ATOM 144 CD PRO A 13 -10.499 -11.825 -2.803 1.00 0.00 C ATOM 0 HA PRO A 13 -11.556 -14.237 -0.836 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.501 -14.952 -2.548 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.177 -14.841 -3.047 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.932 -13.025 -3.676 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.479 -13.178 -4.485 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.691 -11.106 -2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.275 -11.324 -3.382 1.00 0.00 H new ATOM 152 N ALA A 14 -9.124 -15.067 -0.086 1.00 0.00 N ATOM 153 CA ALA A 14 -8.057 -15.350 0.860 1.00 0.00 C ATOM 154 C ALA A 14 -6.751 -15.575 0.096 1.00 0.00 C ATOM 155 O ALA A 14 -5.735 -15.934 0.689 1.00 0.00 O ATOM 156 CB ALA A 14 -8.444 -16.554 1.721 1.00 0.00 C ATOM 0 H ALA A 14 -9.464 -15.879 -0.602 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.905 -14.505 1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.644 -16.766 2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.362 -16.332 2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.602 -17.423 1.082 1.00 0.00 H new ATOM 162 N ASP A 15 -6.820 -15.355 -1.209 1.00 0.00 N ATOM 163 CA ASP A 15 -5.656 -15.529 -2.060 1.00 0.00 C ATOM 164 C ASP A 15 -5.162 -14.159 -2.529 1.00 0.00 C ATOM 165 O ASP A 15 -3.999 -14.008 -2.900 1.00 0.00 O ATOM 166 CB ASP A 15 -5.998 -16.358 -3.300 1.00 0.00 C ATOM 167 CG ASP A 15 -4.802 -17.016 -3.989 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.391 -18.094 -3.506 1.00 0.00 O ATOM 169 OD2 ASP A 15 -4.324 -16.427 -4.983 1.00 0.00 O ATOM 0 H ASP A 15 -7.665 -15.058 -1.697 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.890 -16.045 -1.481 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.706 -17.136 -3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.504 -15.715 -4.020 1.00 0.00 H new ATOM 174 N MET A 16 -6.071 -13.195 -2.496 1.00 0.00 N ATOM 175 CA MET A 16 -5.742 -11.843 -2.912 1.00 0.00 C ATOM 176 C MET A 16 -5.674 -10.900 -1.709 1.00 0.00 C ATOM 177 O MET A 16 -6.175 -11.223 -0.633 1.00 0.00 O ATOM 178 CB MET A 16 -6.801 -11.340 -3.896 1.00 0.00 C ATOM 179 CG MET A 16 -6.791 -12.169 -5.183 1.00 0.00 C ATOM 180 SD MET A 16 -7.251 -11.146 -6.571 1.00 0.00 S ATOM 181 CE MET A 16 -5.735 -10.232 -6.799 1.00 0.00 C ATOM 0 H MET A 16 -7.035 -13.324 -2.188 1.00 0.00 H new ATOM 0 HA MET A 16 -4.764 -11.859 -3.393 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.787 -11.392 -3.433 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.615 -10.292 -4.132 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.800 -12.592 -5.345 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.484 -13.006 -5.092 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.843 -9.553 -7.645 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.517 -9.658 -5.898 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.917 -10.926 -6.993 1.00 0.00 H new ATOM 191 N ILE A 17 -5.051 -9.752 -1.932 1.00 0.00 N ATOM 192 CA ILE A 17 -4.911 -8.760 -0.880 1.00 0.00 C ATOM 193 C ILE A 17 -5.542 -7.443 -1.339 1.00 0.00 C ATOM 194 O ILE A 17 -5.159 -6.895 -2.371 1.00 0.00 O ATOM 195 CB ILE A 17 -3.446 -8.626 -0.460 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.869 -9.981 -0.045 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.284 -7.573 0.638 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.555 -10.265 -0.775 1.00 0.00 C ATOM 0 H ILE A 17 -4.638 -9.487 -2.826 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.447 -9.076 0.015 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.874 -8.282 -1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.701 -9.994 1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.589 -10.769 -0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.233 -7.498 0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.631 -6.608 0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.872 -7.862 1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.167 -11.234 -0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.731 -10.275 -1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.829 -9.488 -0.534 1.00 0.00 H new ATOM 210 N ASN A 18 -6.497 -6.975 -0.550 1.00 0.00 N ATOM 211 CA ASN A 18 -7.184 -5.733 -0.862 1.00 0.00 C ATOM 212 C ASN A 18 -6.319 -4.551 -0.419 1.00 0.00 C ATOM 213 O ASN A 18 -5.925 -4.467 0.743 1.00 0.00 O ATOM 214 CB ASN A 18 -8.521 -5.643 -0.124 1.00 0.00 C ATOM 215 CG ASN A 18 -9.519 -4.780 -0.901 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.485 -4.690 -2.117 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.405 -4.154 -0.132 1.00 0.00 N ATOM 0 H ASN A 18 -6.812 -7.433 0.305 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.363 -5.708 -1.937 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.931 -6.643 0.016 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.365 -5.221 0.869 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.113 -3.554 -0.555 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.376 -4.274 0.881 1.00 0.00 H new ATOM 224 N LEU A 19 -6.049 -3.668 -1.369 1.00 0.00 N ATOM 225 CA LEU A 19 -5.238 -2.494 -1.092 1.00 0.00 C ATOM 226 C LEU A 19 -6.080 -1.235 -1.309 1.00 0.00 C ATOM 227 O LEU A 19 -6.741 -1.096 -2.337 1.00 0.00 O ATOM 228 CB LEU A 19 -3.952 -2.525 -1.919 1.00 0.00 C ATOM 229 CG LEU A 19 -2.802 -3.353 -1.341 1.00 0.00 C ATOM 230 CD1 LEU A 19 -2.025 -2.556 -0.292 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.311 -4.685 -0.787 1.00 0.00 C ATOM 0 H LEU A 19 -6.377 -3.742 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.919 -2.488 -0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.190 -2.912 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.605 -1.501 -2.052 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.108 -3.584 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.214 -3.168 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.612 -1.657 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.695 -2.274 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.474 -5.254 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.038 -4.497 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.784 -5.255 -1.587 1.00 0.00 H new ATOM 243 N ARG A 20 -6.028 -0.350 -0.325 1.00 0.00 N ATOM 244 CA ARG A 20 -6.777 0.893 -0.396 1.00 0.00 C ATOM 245 C ARG A 20 -5.874 2.030 -0.881 1.00 0.00 C ATOM 246 O ARG A 20 -4.957 2.444 -0.173 1.00 0.00 O ATOM 247 CB ARG A 20 -7.361 1.262 0.969 1.00 0.00 C ATOM 248 CG ARG A 20 -8.891 1.223 0.939 1.00 0.00 C ATOM 249 CD ARG A 20 -9.460 0.989 2.340 1.00 0.00 C ATOM 250 NE ARG A 20 -10.634 0.090 2.266 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.288 -0.380 3.336 1.00 0.00 C ATOM 252 NH1 ARG A 20 -10.889 -0.040 4.569 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.343 -1.191 3.173 1.00 0.00 N ATOM 0 H ARG A 20 -5.479 -0.469 0.526 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.595 0.748 -1.102 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.991 0.571 1.726 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.024 2.258 1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.275 2.161 0.539 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.225 0.430 0.270 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.696 0.551 2.983 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.748 1.940 2.788 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.965 -0.189 1.342 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.087 0.577 4.693 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.388 -0.398 5.383 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.647 -1.450 2.234 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.841 -1.549 3.988 1.00 0.00 H new ATOM 267 N LEU A 21 -6.166 2.501 -2.084 1.00 0.00 N ATOM 268 CA LEU A 21 -5.392 3.582 -2.672 1.00 0.00 C ATOM 269 C LEU A 21 -5.997 4.923 -2.252 1.00 0.00 C ATOM 270 O LEU A 21 -7.214 5.098 -2.289 1.00 0.00 O ATOM 271 CB LEU A 21 -5.287 3.402 -4.187 1.00 0.00 C ATOM 272 CG LEU A 21 -4.462 2.205 -4.665 1.00 0.00 C ATOM 273 CD1 LEU A 21 -2.985 2.578 -4.805 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.664 0.999 -3.747 1.00 0.00 C ATOM 0 H LEU A 21 -6.927 2.155 -2.668 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.367 3.564 -2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.294 3.309 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.855 4.308 -4.612 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.817 1.919 -5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.421 1.710 -5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.881 3.386 -5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.599 2.905 -3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.067 0.162 -4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.352 1.256 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.717 0.718 -3.742 1.00 0.00 H new ATOM 286 N ILE A 22 -5.119 5.836 -1.862 1.00 0.00 N ATOM 287 CA ILE A 22 -5.551 7.156 -1.435 1.00 0.00 C ATOM 288 C ILE A 22 -4.643 8.213 -2.066 1.00 0.00 C ATOM 289 O ILE A 22 -3.434 8.215 -1.837 1.00 0.00 O ATOM 290 CB ILE A 22 -5.616 7.232 0.091 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.649 6.249 0.646 1.00 0.00 C ATOM 292 CG2 ILE A 22 -5.878 8.664 0.559 1.00 0.00 C ATOM 293 CD1 ILE A 22 -6.051 5.399 1.768 1.00 0.00 C ATOM 0 H ILE A 22 -4.110 5.687 -1.833 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.564 7.356 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.645 6.937 0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.513 6.798 1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.006 5.601 -0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.919 8.689 1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.074 9.313 0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.827 9.012 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.807 4.709 2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.203 4.833 1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.717 6.048 2.578 1.00 0.00 H new ATOM 416 N GLU A 30 -10.283 0.682 -3.360 1.00 0.00 N ATOM 417 CA GLU A 30 -9.829 -0.652 -3.006 1.00 0.00 C ATOM 418 C GLU A 30 -9.513 -1.457 -4.268 1.00 0.00 C ATOM 419 O GLU A 30 -10.318 -1.502 -5.197 1.00 0.00 O ATOM 420 CB GLU A 30 -10.865 -1.372 -2.140 1.00 0.00 C ATOM 421 CG GLU A 30 -12.268 -1.228 -2.731 1.00 0.00 C ATOM 422 CD GLU A 30 -13.054 -2.535 -2.603 1.00 0.00 C ATOM 423 OE1 GLU A 30 -13.012 -3.116 -1.497 1.00 0.00 O ATOM 424 OE2 GLU A 30 -13.678 -2.923 -3.614 1.00 0.00 O ATOM 0 HA GLU A 30 -8.915 -0.560 -2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.607 -2.428 -2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.848 -0.962 -1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.802 -0.427 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.197 -0.944 -3.781 1.00 0.00 H new ATOM 431 N PHE A 31 -8.340 -2.073 -4.260 1.00 0.00 N ATOM 432 CA PHE A 31 -7.908 -2.874 -5.393 1.00 0.00 C ATOM 433 C PHE A 31 -7.597 -4.309 -4.962 1.00 0.00 C ATOM 434 O PHE A 31 -7.775 -4.664 -3.798 1.00 0.00 O ATOM 435 CB PHE A 31 -6.631 -2.229 -5.936 1.00 0.00 C ATOM 436 CG PHE A 31 -6.881 -1.124 -6.963 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.344 -1.439 -8.202 1.00 0.00 C ATOM 438 CD2 PHE A 31 -6.639 0.174 -6.638 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.576 -0.414 -9.156 1.00 0.00 C ATOM 440 CE2 PHE A 31 -6.870 1.200 -7.592 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.334 0.885 -8.831 1.00 0.00 C ATOM 0 H PHE A 31 -7.675 -2.034 -3.487 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.696 -2.911 -6.145 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.063 -1.815 -5.103 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.012 -3.001 -6.392 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.535 -2.470 -8.460 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.271 0.425 -5.654 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.945 -0.665 -10.140 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.677 2.231 -7.334 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.510 1.665 -9.556 1.00 0.00 H new ATOM 451 N LEU A 32 -7.138 -5.095 -5.925 1.00 0.00 N ATOM 452 CA LEU A 32 -6.801 -6.484 -5.661 1.00 0.00 C ATOM 453 C LEU A 32 -5.393 -6.771 -6.184 1.00 0.00 C ATOM 454 O LEU A 32 -5.057 -6.402 -7.308 1.00 0.00 O ATOM 455 CB LEU A 32 -7.872 -7.414 -6.235 1.00 0.00 C ATOM 456 CG LEU A 32 -9.150 -7.558 -5.406 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.379 -7.677 -6.310 1.00 0.00 C ATOM 458 CD2 LEU A 32 -9.041 -8.731 -4.430 1.00 0.00 C ATOM 0 H LEU A 32 -6.992 -4.796 -6.889 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.788 -6.675 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.145 -7.053 -7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.434 -8.403 -6.365 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.275 -6.654 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.274 -7.778 -5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.463 -6.784 -6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.277 -8.554 -6.950 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.962 -8.811 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.880 -9.654 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.203 -8.565 -3.753 1.00 0.00 H new ATOM 470 N PHE A 33 -4.606 -7.426 -5.343 1.00 0.00 N ATOM 471 CA PHE A 33 -3.241 -7.767 -5.706 1.00 0.00 C ATOM 472 C PHE A 33 -2.857 -9.146 -5.165 1.00 0.00 C ATOM 473 O PHE A 33 -3.555 -9.700 -4.317 1.00 0.00 O ATOM 474 CB PHE A 33 -2.332 -6.712 -5.071 1.00 0.00 C ATOM 475 CG PHE A 33 -2.554 -5.296 -5.607 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.416 -5.042 -6.936 1.00 0.00 C ATOM 477 CD2 PHE A 33 -2.888 -4.291 -4.753 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.621 -3.728 -7.433 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.094 -2.977 -5.250 1.00 0.00 C ATOM 480 CZ PHE A 33 -2.956 -2.723 -6.580 1.00 0.00 C ATOM 0 H PHE A 33 -4.888 -7.730 -4.411 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.140 -7.791 -6.791 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.492 -6.711 -3.993 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.293 -6.994 -5.239 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.150 -5.840 -7.613 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.996 -4.493 -3.698 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.511 -3.526 -8.488 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.360 -2.179 -4.573 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.112 -1.723 -6.958 1.00 0.00 H new ATOM 490 N SER A 34 -1.749 -9.660 -5.678 1.00 0.00 N ATOM 491 CA SER A 34 -1.264 -10.963 -5.258 1.00 0.00 C ATOM 492 C SER A 34 -0.010 -10.802 -4.396 1.00 0.00 C ATOM 493 O SER A 34 0.623 -9.748 -4.407 1.00 0.00 O ATOM 494 CB SER A 34 -0.969 -11.857 -6.464 1.00 0.00 C ATOM 495 OG SER A 34 0.279 -12.533 -6.335 1.00 0.00 O ATOM 0 H SER A 34 -1.173 -9.197 -6.381 1.00 0.00 H new ATOM 0 HA SER A 34 -2.044 -11.443 -4.667 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.768 -12.590 -6.576 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.962 -11.252 -7.371 1.00 0.00 H new ATOM 0 HG SER A 34 0.430 -13.095 -7.124 1.00 0.00 H new ATOM 501 N PRO A 35 0.319 -11.891 -3.652 1.00 0.00 N ATOM 502 CA PRO A 35 1.487 -11.881 -2.786 1.00 0.00 C ATOM 503 C PRO A 35 2.775 -12.006 -3.602 1.00 0.00 C ATOM 504 O PRO A 35 3.872 -11.909 -3.055 1.00 0.00 O ATOM 505 CB PRO A 35 1.276 -13.041 -1.827 1.00 0.00 C ATOM 506 CG PRO A 35 0.237 -13.939 -2.481 1.00 0.00 C ATOM 507 CD PRO A 35 -0.408 -13.157 -3.613 1.00 0.00 C ATOM 0 HA PRO A 35 1.597 -10.945 -2.239 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.207 -13.581 -1.656 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.930 -12.687 -0.856 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.703 -14.848 -2.862 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.514 -14.247 -1.753 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.325 -13.690 -4.560 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.470 -12.998 -3.429 1.00 0.00 H new ATOM 515 N ASN A 36 2.599 -12.219 -4.898 1.00 0.00 N ATOM 516 CA ASN A 36 3.734 -12.359 -5.794 1.00 0.00 C ATOM 517 C ASN A 36 3.945 -11.046 -6.551 1.00 0.00 C ATOM 518 O ASN A 36 5.026 -10.798 -7.082 1.00 0.00 O ATOM 519 CB ASN A 36 3.490 -13.463 -6.824 1.00 0.00 C ATOM 520 CG ASN A 36 3.164 -14.791 -6.138 1.00 0.00 C ATOM 521 OD1 ASN A 36 3.769 -15.174 -5.149 1.00 0.00 O ATOM 522 ND2 ASN A 36 2.177 -15.471 -6.714 1.00 0.00 N ATOM 0 H ASN A 36 1.687 -12.298 -5.349 1.00 0.00 H new ATOM 0 HA ASN A 36 4.608 -12.612 -5.194 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.668 -13.177 -7.481 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.373 -13.581 -7.452 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.885 -16.370 -6.330 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.712 -15.094 -7.540 1.00 0.00 H new ATOM 529 N ASP A 37 2.894 -10.239 -6.575 1.00 0.00 N ATOM 530 CA ASP A 37 2.951 -8.957 -7.258 1.00 0.00 C ATOM 531 C ASP A 37 3.810 -7.988 -6.443 1.00 0.00 C ATOM 532 O ASP A 37 3.642 -7.873 -5.230 1.00 0.00 O ATOM 533 CB ASP A 37 1.556 -8.346 -7.400 1.00 0.00 C ATOM 534 CG ASP A 37 0.616 -9.096 -8.347 1.00 0.00 C ATOM 535 OD1 ASP A 37 1.142 -9.707 -9.303 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.607 -9.040 -8.094 1.00 0.00 O ATOM 0 H ASP A 37 1.999 -10.448 -6.133 1.00 0.00 H new ATOM 0 HA ASP A 37 3.375 -9.121 -8.248 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.094 -8.300 -6.414 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.659 -7.320 -7.752 1.00 0.00 H new ATOM 541 N SER A 38 4.713 -7.315 -7.142 1.00 0.00 N ATOM 542 CA SER A 38 5.598 -6.360 -6.499 1.00 0.00 C ATOM 543 C SER A 38 4.988 -4.958 -6.560 1.00 0.00 C ATOM 544 O SER A 38 4.069 -4.710 -7.338 1.00 0.00 O ATOM 545 CB SER A 38 6.982 -6.366 -7.151 1.00 0.00 C ATOM 546 OG SER A 38 6.944 -5.876 -8.489 1.00 0.00 O ATOM 0 H SER A 38 4.850 -7.413 -8.148 1.00 0.00 H new ATOM 0 HA SER A 38 5.717 -6.652 -5.456 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.664 -5.754 -6.560 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.380 -7.381 -7.148 1.00 0.00 H new ATOM 0 HG SER A 38 7.847 -5.894 -8.870 1.00 0.00 H new ATOM 552 N ALA A 39 5.525 -4.077 -5.728 1.00 0.00 N ATOM 553 CA ALA A 39 5.045 -2.707 -5.677 1.00 0.00 C ATOM 554 C ALA A 39 4.906 -2.167 -7.102 1.00 0.00 C ATOM 555 O ALA A 39 4.090 -1.283 -7.357 1.00 0.00 O ATOM 556 CB ALA A 39 5.995 -1.864 -4.824 1.00 0.00 C ATOM 0 H ALA A 39 6.288 -4.286 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 39 4.061 -2.662 -5.210 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.635 -0.836 -4.786 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.036 -2.272 -3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.992 -1.883 -5.264 1.00 0.00 H new ATOM 562 N SER A 40 5.716 -2.721 -7.992 1.00 0.00 N ATOM 563 CA SER A 40 5.694 -2.306 -9.384 1.00 0.00 C ATOM 564 C SER A 40 4.312 -2.570 -9.987 1.00 0.00 C ATOM 565 O SER A 40 3.626 -1.640 -10.407 1.00 0.00 O ATOM 566 CB SER A 40 6.772 -3.030 -10.192 1.00 0.00 C ATOM 567 OG SER A 40 8.017 -2.337 -10.163 1.00 0.00 O ATOM 0 H SER A 40 6.392 -3.454 -7.776 1.00 0.00 H new ATOM 0 HA SER A 40 5.904 -1.237 -9.425 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.908 -4.036 -9.795 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.440 -3.137 -11.225 1.00 0.00 H new ATOM 0 HG SER A 40 8.679 -2.832 -10.689 1.00 0.00 H new ATOM 573 N ASP A 41 3.945 -3.843 -10.010 1.00 0.00 N ATOM 574 CA ASP A 41 2.658 -4.241 -10.555 1.00 0.00 C ATOM 575 C ASP A 41 1.563 -3.348 -9.968 1.00 0.00 C ATOM 576 O ASP A 41 0.702 -2.857 -10.695 1.00 0.00 O ATOM 577 CB ASP A 41 2.332 -5.691 -10.192 1.00 0.00 C ATOM 578 CG ASP A 41 1.015 -6.219 -10.764 1.00 0.00 C ATOM 579 OD1 ASP A 41 -0.039 -5.706 -10.329 1.00 0.00 O ATOM 580 OD2 ASP A 41 1.091 -7.125 -11.622 1.00 0.00 O ATOM 0 H ASP A 41 4.516 -4.612 -9.660 1.00 0.00 H new ATOM 0 HA ASP A 41 2.705 -4.143 -11.640 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.144 -6.329 -10.541 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.301 -5.780 -9.106 1.00 0.00 H new ATOM 585 N ILE A 42 1.632 -3.166 -8.657 1.00 0.00 N ATOM 586 CA ILE A 42 0.657 -2.341 -7.964 1.00 0.00 C ATOM 587 C ILE A 42 0.634 -0.948 -8.595 1.00 0.00 C ATOM 588 O ILE A 42 -0.318 -0.593 -9.290 1.00 0.00 O ATOM 589 CB ILE A 42 0.937 -2.330 -6.460 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.844 -3.741 -5.875 1.00 0.00 C ATOM 591 CG2 ILE A 42 0.013 -1.347 -5.738 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.287 -3.757 -4.410 1.00 0.00 C ATOM 0 H ILE A 42 2.348 -3.576 -8.057 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.344 -2.759 -8.076 1.00 0.00 H new ATOM 0 HB ILE A 42 1.959 -1.984 -6.305 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.181 -4.104 -5.953 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.468 -4.421 -6.455 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.233 -1.358 -4.670 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.172 -0.343 -6.130 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.025 -1.639 -5.898 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.211 -4.771 -4.018 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.320 -3.416 -4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.646 -3.095 -3.829 1.00 0.00 H new ATOM 604 N ALA A 43 1.692 -0.196 -8.332 1.00 0.00 N ATOM 605 CA ALA A 43 1.805 1.151 -8.866 1.00 0.00 C ATOM 606 C ALA A 43 1.350 1.156 -10.327 1.00 0.00 C ATOM 607 O ALA A 43 0.504 1.960 -10.714 1.00 0.00 O ATOM 608 CB ALA A 43 3.243 1.647 -8.701 1.00 0.00 C ATOM 0 H ALA A 43 2.479 -0.494 -7.756 1.00 0.00 H new ATOM 0 HA ALA A 43 1.159 1.837 -8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.328 2.657 -9.102 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.507 1.653 -7.643 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.920 0.985 -9.240 1.00 0.00 H new ATOM 614 N LYS A 44 1.933 0.249 -11.097 1.00 0.00 N ATOM 615 CA LYS A 44 1.598 0.139 -12.507 1.00 0.00 C ATOM 616 C LYS A 44 0.084 -0.020 -12.656 1.00 0.00 C ATOM 617 O LYS A 44 -0.567 0.793 -13.311 1.00 0.00 O ATOM 618 CB LYS A 44 2.402 -0.986 -13.162 1.00 0.00 C ATOM 619 CG LYS A 44 2.028 -1.141 -14.637 1.00 0.00 C ATOM 620 CD LYS A 44 3.134 -0.596 -15.544 1.00 0.00 C ATOM 621 CE LYS A 44 3.290 -1.460 -16.797 1.00 0.00 C ATOM 622 NZ LYS A 44 4.186 -0.800 -17.773 1.00 0.00 N ATOM 0 H LYS A 44 2.635 -0.416 -10.772 1.00 0.00 H new ATOM 0 HA LYS A 44 1.877 1.050 -13.037 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.468 -0.775 -13.074 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.218 -1.923 -12.636 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.853 -2.193 -14.863 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.096 -0.613 -14.837 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.901 0.429 -15.831 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.077 -0.568 -14.998 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.694 -2.435 -16.525 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.314 -1.634 -17.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.281 -1.399 -18.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.785 0.120 -18.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.122 -0.656 -17.343 1.00 0.00 H new ATOM 636 N HIS A 45 -0.432 -1.072 -12.039 1.00 0.00 N ATOM 637 CA HIS A 45 -1.858 -1.348 -12.095 1.00 0.00 C ATOM 638 C HIS A 45 -2.640 -0.051 -11.878 1.00 0.00 C ATOM 639 O HIS A 45 -3.366 0.396 -12.765 1.00 0.00 O ATOM 640 CB HIS A 45 -2.239 -2.444 -11.097 1.00 0.00 C ATOM 641 CG HIS A 45 -3.726 -2.585 -10.879 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.526 -3.394 -11.668 1.00 0.00 N ATOM 643 CD2 HIS A 45 -4.550 -2.015 -9.953 1.00 0.00 C ATOM 644 CE1 HIS A 45 -5.773 -3.305 -11.228 1.00 0.00 C ATOM 645 NE2 HIS A 45 -5.785 -2.449 -10.166 1.00 0.00 N ATOM 0 H HIS A 45 0.112 -1.744 -11.497 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.120 -1.729 -13.082 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.842 -3.396 -11.449 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.760 -2.233 -10.141 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.248 -1.327 -9.178 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.629 -3.820 -11.638 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.608 -2.186 -9.625 1.00 0.00 H new ATOM 997 N LEU A 67 4.917 3.990 -3.275 1.00 0.00 N ATOM 998 CA LEU A 67 3.802 3.525 -2.468 1.00 0.00 C ATOM 999 C LEU A 67 4.143 3.700 -0.987 1.00 0.00 C ATOM 1000 O LEU A 67 5.185 3.236 -0.527 1.00 0.00 O ATOM 1001 CB LEU A 67 3.427 2.092 -2.848 1.00 0.00 C ATOM 1002 CG LEU A 67 3.228 1.120 -1.683 1.00 0.00 C ATOM 1003 CD1 LEU A 67 1.908 1.394 -0.959 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.331 -0.332 -2.156 1.00 0.00 C ATOM 0 HA LEU A 67 2.913 4.125 -2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.507 2.121 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.206 1.694 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 67 4.030 1.282 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.792 0.689 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.912 2.411 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.079 1.277 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.186 -1.002 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.565 -0.525 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.316 -0.504 -2.590 1.00 0.00 H new ATOM 1016 N ILE A 68 3.245 4.372 -0.281 1.00 0.00 N ATOM 1017 CA ILE A 68 3.437 4.614 1.139 1.00 0.00 C ATOM 1018 C ILE A 68 2.544 3.664 1.939 1.00 0.00 C ATOM 1019 O ILE A 68 1.375 3.475 1.604 1.00 0.00 O ATOM 1020 CB ILE A 68 3.212 6.092 1.465 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.297 6.965 0.831 1.00 0.00 C ATOM 1022 CG2 ILE A 68 3.111 6.310 2.976 1.00 0.00 C ATOM 1023 CD1 ILE A 68 3.742 7.755 -0.355 1.00 0.00 C ATOM 0 H ILE A 68 2.382 4.756 -0.666 1.00 0.00 H new ATOM 0 HA ILE A 68 4.467 4.401 1.427 1.00 0.00 H new ATOM 0 HB ILE A 68 2.260 6.397 1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.696 7.653 1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.125 6.339 0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.951 7.369 3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.275 5.733 3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.035 5.983 3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.534 8.367 -0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.366 7.063 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.930 8.399 -0.016 1.00 0.00 H new ATOM 1035 N TYR A 69 3.127 3.092 2.982 1.00 0.00 N ATOM 1036 CA TYR A 69 2.399 2.167 3.833 1.00 0.00 C ATOM 1037 C TYR A 69 2.630 2.483 5.312 1.00 0.00 C ATOM 1038 O TYR A 69 3.770 2.512 5.773 1.00 0.00 O ATOM 1039 CB TYR A 69 2.963 0.778 3.526 1.00 0.00 C ATOM 1040 CG TYR A 69 2.292 -0.353 4.308 1.00 0.00 C ATOM 1041 CD1 TYR A 69 1.058 -0.150 4.892 1.00 0.00 C ATOM 1042 CD2 TYR A 69 2.920 -1.576 4.428 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.426 -1.215 5.627 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.288 -2.641 5.164 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.072 -2.408 5.727 1.00 0.00 C ATOM 1046 OH TYR A 69 0.475 -3.413 6.421 1.00 0.00 O ATOM 0 H TYR A 69 4.096 3.252 3.257 1.00 0.00 H new ATOM 0 HA TYR A 69 1.328 2.235 3.644 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.856 0.581 2.459 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.031 0.774 3.745 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.567 0.807 4.798 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.885 -1.735 3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.540 -1.070 6.089 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.769 -3.603 5.266 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.499 -3.321 6.357 1.00 0.00 H new ATOM 1056 N GLN A 70 1.530 2.713 6.014 1.00 0.00 N ATOM 1057 CA GLN A 70 1.599 3.027 7.431 1.00 0.00 C ATOM 1058 C GLN A 70 2.409 4.306 7.653 1.00 0.00 C ATOM 1059 O GLN A 70 2.831 4.591 8.772 1.00 0.00 O ATOM 1060 CB GLN A 70 2.191 1.859 8.223 1.00 0.00 C ATOM 1061 CG GLN A 70 1.087 0.951 8.768 1.00 0.00 C ATOM 1062 CD GLN A 70 1.200 0.801 10.286 1.00 0.00 C ATOM 1063 OE1 GLN A 70 1.832 1.591 10.968 1.00 0.00 O ATOM 1064 NE2 GLN A 70 0.554 -0.254 10.775 1.00 0.00 N ATOM 0 H GLN A 70 0.586 2.688 5.628 1.00 0.00 H new ATOM 0 HA GLN A 70 0.586 3.194 7.796 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.858 1.282 7.583 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.792 2.242 9.048 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.112 1.364 8.511 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.152 -0.030 8.296 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.044 -0.876 10.147 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.569 -0.441 11.778 1.00 0.00 H new ATOM 1073 N GLY A 71 2.601 5.042 6.568 1.00 0.00 N ATOM 1074 CA GLY A 71 3.352 6.284 6.630 1.00 0.00 C ATOM 1075 C GLY A 71 4.704 6.144 5.927 1.00 0.00 C ATOM 1076 O GLY A 71 5.183 7.088 5.301 1.00 0.00 O ATOM 0 H GLY A 71 2.249 4.802 5.641 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.777 7.084 6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.507 6.568 7.671 1.00 0.00 H new ATOM 1080 N ARG A 72 5.279 4.957 6.052 1.00 0.00 N ATOM 1081 CA ARG A 72 6.566 4.680 5.436 1.00 0.00 C ATOM 1082 C ARG A 72 6.387 4.380 3.946 1.00 0.00 C ATOM 1083 O ARG A 72 5.266 4.381 3.439 1.00 0.00 O ATOM 1084 CB ARG A 72 7.255 3.492 6.110 1.00 0.00 C ATOM 1085 CG ARG A 72 6.452 2.205 5.907 1.00 0.00 C ATOM 1086 CD ARG A 72 7.380 0.998 5.758 1.00 0.00 C ATOM 1087 NE ARG A 72 6.716 -0.218 6.278 1.00 0.00 N ATOM 1088 CZ ARG A 72 7.333 -1.395 6.452 1.00 0.00 C ATOM 1089 NH1 ARG A 72 8.632 -1.522 6.149 1.00 0.00 N ATOM 1090 NH2 ARG A 72 6.651 -2.445 6.930 1.00 0.00 N ATOM 0 H ARG A 72 4.877 4.176 6.571 1.00 0.00 H new ATOM 0 HA ARG A 72 7.191 5.565 5.560 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.257 3.368 5.700 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.369 3.690 7.176 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.783 2.052 6.754 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.826 2.299 5.020 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.643 0.858 4.710 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.310 1.174 6.299 1.00 0.00 H new ATOM 0 HE ARG A 72 5.727 -0.157 6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.151 -0.723 5.786 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.101 -2.418 6.282 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.662 -2.348 7.161 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.121 -3.341 7.062 1.00 0.00 H new ATOM 1104 N PHE A 73 7.509 4.130 3.287 1.00 0.00 N ATOM 1105 CA PHE A 73 7.490 3.829 1.866 1.00 0.00 C ATOM 1106 C PHE A 73 7.974 2.401 1.601 1.00 0.00 C ATOM 1107 O PHE A 73 8.897 1.923 2.259 1.00 0.00 O ATOM 1108 CB PHE A 73 8.446 4.812 1.187 1.00 0.00 C ATOM 1109 CG PHE A 73 8.108 6.283 1.441 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.512 6.885 2.591 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.404 6.988 0.515 1.00 0.00 C ATOM 1112 CE1 PHE A 73 8.199 8.250 2.826 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.091 8.353 0.750 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.495 8.955 1.900 1.00 0.00 C ATOM 0 H PHE A 73 8.437 4.130 3.711 1.00 0.00 H new ATOM 0 HA PHE A 73 6.474 3.918 1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.460 4.617 1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.438 4.628 0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.071 6.325 3.326 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.083 6.510 -0.399 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.520 8.728 3.740 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.532 8.913 0.015 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.257 9.993 2.078 1.00 0.00 H new ATOM 1124 N LEU A 74 7.329 1.761 0.637 1.00 0.00 N ATOM 1125 CA LEU A 74 7.682 0.398 0.278 1.00 0.00 C ATOM 1126 C LEU A 74 8.563 0.417 -0.973 1.00 0.00 C ATOM 1127 O LEU A 74 8.447 1.316 -1.805 1.00 0.00 O ATOM 1128 CB LEU A 74 6.424 -0.460 0.132 1.00 0.00 C ATOM 1129 CG LEU A 74 5.576 -0.628 1.394 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.289 -1.397 1.091 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.385 -1.284 2.515 1.00 0.00 C ATOM 0 H LEU A 74 6.564 2.161 0.094 1.00 0.00 H new ATOM 0 HA LEU A 74 8.266 -0.067 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.799 -0.023 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.721 -1.449 -0.216 1.00 0.00 H new ATOM 0 HG LEU A 74 5.285 0.362 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.705 -1.503 2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.706 -0.852 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.538 -2.385 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.759 -1.392 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.726 -2.267 2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.247 -0.661 2.754 1.00 0.00 H new ATOM 1143 N HIS A 75 9.424 -0.586 -1.067 1.00 0.00 N ATOM 1144 CA HIS A 75 10.324 -0.696 -2.203 1.00 0.00 C ATOM 1145 C HIS A 75 9.537 -1.129 -3.441 1.00 0.00 C ATOM 1146 O HIS A 75 8.430 -1.655 -3.325 1.00 0.00 O ATOM 1147 CB HIS A 75 11.490 -1.633 -1.883 1.00 0.00 C ATOM 1148 CG HIS A 75 12.838 -1.106 -2.312 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.448 -1.482 -3.496 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.685 -0.227 -1.705 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.610 -0.852 -3.586 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.756 -0.075 -2.475 1.00 0.00 N ATOM 0 H HIS A 75 9.517 -1.330 -0.375 1.00 0.00 H new ATOM 0 HA HIS A 75 10.765 0.277 -2.418 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.509 -1.819 -0.809 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.315 -2.593 -2.369 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.514 0.263 -0.758 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.318 -0.939 -4.397 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.556 0.524 -2.269 1.00 0.00 H new ATOM 1160 N GLY A 76 10.138 -0.893 -4.598 1.00 0.00 N ATOM 1161 CA GLY A 76 9.507 -1.252 -5.856 1.00 0.00 C ATOM 1162 C GLY A 76 9.704 -2.738 -6.163 1.00 0.00 C ATOM 1163 O GLY A 76 8.976 -3.310 -6.974 1.00 0.00 O ATOM 0 H GLY A 76 11.056 -0.457 -4.690 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.442 -1.024 -5.811 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.928 -0.651 -6.663 1.00 0.00 H new ATOM 1167 N ASN A 77 10.691 -3.321 -5.500 1.00 0.00 N ATOM 1168 CA ASN A 77 10.993 -4.730 -5.692 1.00 0.00 C ATOM 1169 C ASN A 77 10.233 -5.556 -4.651 1.00 0.00 C ATOM 1170 O ASN A 77 10.103 -6.771 -4.793 1.00 0.00 O ATOM 1171 CB ASN A 77 12.487 -5.003 -5.512 1.00 0.00 C ATOM 1172 CG ASN A 77 13.062 -5.730 -6.729 1.00 0.00 C ATOM 1173 OD1 ASN A 77 13.219 -5.171 -7.802 1.00 0.00 O ATOM 1174 ND2 ASN A 77 13.366 -7.005 -6.504 1.00 0.00 N ATOM 0 H ASN A 77 11.293 -2.844 -4.829 1.00 0.00 H new ATOM 0 HA ASN A 77 10.696 -5.004 -6.704 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.017 -4.062 -5.362 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.645 -5.604 -4.617 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.756 -7.576 -7.254 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.210 -7.411 -5.582 1.00 0.00 H new ATOM 1181 N VAL A 78 9.752 -4.863 -3.629 1.00 0.00 N ATOM 1182 CA VAL A 78 9.009 -5.518 -2.566 1.00 0.00 C ATOM 1183 C VAL A 78 7.765 -6.186 -3.155 1.00 0.00 C ATOM 1184 O VAL A 78 7.263 -5.764 -4.196 1.00 0.00 O ATOM 1185 CB VAL A 78 8.681 -4.512 -1.461 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.525 -5.010 -0.591 1.00 0.00 C ATOM 1187 CG2 VAL A 78 9.916 -4.208 -0.611 1.00 0.00 C ATOM 0 H VAL A 78 9.862 -3.855 -3.515 1.00 0.00 H new ATOM 0 HA VAL A 78 9.611 -6.302 -2.106 1.00 0.00 H new ATOM 0 HB VAL A 78 8.366 -3.583 -1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.312 -4.276 0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.639 -5.151 -1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.799 -5.958 -0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.655 -3.490 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.276 -5.128 -0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.699 -3.789 -1.243 1.00 0.00 H new ATOM 1197 N THR A 79 7.302 -7.217 -2.464 1.00 0.00 N ATOM 1198 CA THR A 79 6.126 -7.947 -2.906 1.00 0.00 C ATOM 1199 C THR A 79 5.237 -8.299 -1.711 1.00 0.00 C ATOM 1200 O THR A 79 5.732 -8.721 -0.667 1.00 0.00 O ATOM 1201 CB THR A 79 6.598 -9.171 -3.693 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.719 -9.649 -2.954 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.182 -8.800 -5.058 1.00 0.00 C ATOM 0 H THR A 79 7.720 -7.564 -1.601 1.00 0.00 H new ATOM 0 HA THR A 79 5.506 -7.338 -3.564 1.00 0.00 H new ATOM 0 HB THR A 79 5.763 -9.858 -3.830 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.086 -10.444 -3.394 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.502 -9.705 -5.575 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.423 -8.291 -5.652 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.038 -8.139 -4.920 1.00 0.00 H new ATOM 1211 N LEU A 80 3.940 -8.112 -1.905 1.00 0.00 N ATOM 1212 CA LEU A 80 2.977 -8.404 -0.857 1.00 0.00 C ATOM 1213 C LEU A 80 3.384 -9.693 -0.141 1.00 0.00 C ATOM 1214 O LEU A 80 3.174 -9.832 1.063 1.00 0.00 O ATOM 1215 CB LEU A 80 1.558 -8.439 -1.428 1.00 0.00 C ATOM 1216 CG LEU A 80 0.916 -7.080 -1.714 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.408 -7.245 -2.462 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.750 -6.270 -0.427 1.00 0.00 C ATOM 0 H LEU A 80 3.533 -7.762 -2.772 1.00 0.00 H new ATOM 0 HA LEU A 80 2.975 -7.611 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.575 -9.013 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.920 -8.980 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 80 1.585 -6.517 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.843 -6.264 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.230 -7.753 -3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.096 -7.836 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.292 -5.309 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.113 -6.818 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.727 -6.106 0.028 1.00 0.00 H new ATOM 1230 N GLY A 81 3.959 -10.605 -0.913 1.00 0.00 N ATOM 1231 CA GLY A 81 4.397 -11.878 -0.367 1.00 0.00 C ATOM 1232 C GLY A 81 5.440 -11.673 0.733 1.00 0.00 C ATOM 1233 O GLY A 81 5.293 -12.194 1.838 1.00 0.00 O ATOM 0 H GLY A 81 4.131 -10.487 -1.911 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.541 -12.419 0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.818 -12.493 -1.162 1.00 0.00 H new ATOM 1237 N ALA A 82 6.471 -10.914 0.393 1.00 0.00 N ATOM 1238 CA ALA A 82 7.539 -10.634 1.338 1.00 0.00 C ATOM 1239 C ALA A 82 6.965 -9.879 2.539 1.00 0.00 C ATOM 1240 O ALA A 82 7.538 -9.910 3.627 1.00 0.00 O ATOM 1241 CB ALA A 82 8.651 -9.854 0.636 1.00 0.00 C ATOM 0 H ALA A 82 6.590 -10.484 -0.524 1.00 0.00 H new ATOM 0 HA ALA A 82 7.976 -11.561 1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.452 -9.644 1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.044 -10.445 -0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.251 -8.915 0.253 1.00 0.00 H new ATOM 1247 N LEU A 83 5.842 -9.218 2.301 1.00 0.00 N ATOM 1248 CA LEU A 83 5.185 -8.456 3.349 1.00 0.00 C ATOM 1249 C LEU A 83 4.299 -9.391 4.175 1.00 0.00 C ATOM 1250 O LEU A 83 3.643 -8.956 5.120 1.00 0.00 O ATOM 1251 CB LEU A 83 4.434 -7.263 2.754 1.00 0.00 C ATOM 1252 CG LEU A 83 5.276 -6.277 1.942 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.399 -5.188 1.322 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.405 -5.690 2.791 1.00 0.00 C ATOM 0 H LEU A 83 5.370 -9.194 1.397 1.00 0.00 H new ATOM 0 HA LEU A 83 5.922 -8.031 4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.638 -7.643 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.956 -6.718 3.568 1.00 0.00 H new ATOM 0 HG LEU A 83 5.742 -6.822 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.022 -4.500 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.663 -5.646 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.886 -4.640 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.988 -4.993 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.981 -5.165 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.052 -6.494 3.143 1.00 0.00 H new ATOM 1266 N LYS A 84 4.309 -10.658 3.788 1.00 0.00 N ATOM 1267 CA LYS A 84 3.515 -11.658 4.481 1.00 0.00 C ATOM 1268 C LYS A 84 2.236 -11.009 5.013 1.00 0.00 C ATOM 1269 O LYS A 84 1.850 -11.236 6.158 1.00 0.00 O ATOM 1270 CB LYS A 84 4.348 -12.351 5.561 1.00 0.00 C ATOM 1271 CG LYS A 84 5.036 -11.325 6.465 1.00 0.00 C ATOM 1272 CD LYS A 84 4.057 -10.760 7.496 1.00 0.00 C ATOM 1273 CE LYS A 84 4.803 -10.167 8.693 1.00 0.00 C ATOM 1274 NZ LYS A 84 3.854 -9.813 9.772 1.00 0.00 N ATOM 0 H LYS A 84 4.854 -11.015 3.003 1.00 0.00 H new ATOM 0 HA LYS A 84 3.210 -12.446 3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.707 -12.998 6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.097 -12.990 5.094 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.878 -11.792 6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.440 -10.514 5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.438 -9.992 7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.386 -11.549 7.836 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.534 -10.885 9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.356 -9.281 8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.377 -9.412 10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.172 -9.112 9.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.345 -10.666 10.080 1.00 0.00 H new ATOM 1288 N LEU A 85 1.614 -10.213 4.156 1.00 0.00 N ATOM 1289 CA LEU A 85 0.386 -9.528 4.525 1.00 0.00 C ATOM 1290 C LEU A 85 -0.749 -10.548 4.630 1.00 0.00 C ATOM 1291 O LEU A 85 -0.738 -11.568 3.942 1.00 0.00 O ATOM 1292 CB LEU A 85 0.097 -8.383 3.552 1.00 0.00 C ATOM 1293 CG LEU A 85 0.080 -6.978 4.156 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.191 -6.814 5.195 1.00 0.00 C ATOM 1295 CD2 LEU A 85 0.156 -5.910 3.063 1.00 0.00 C ATOM 0 H LEU A 85 1.937 -10.027 3.207 1.00 0.00 H new ATOM 0 HA LEU A 85 0.489 -9.063 5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.846 -8.408 2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.869 -8.567 3.082 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.869 -6.841 4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.156 -5.806 5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.050 -7.540 5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.159 -6.979 4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.142 -4.920 3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.078 -6.035 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.698 -6.013 2.394 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.729 -10.229 5.518 1.00 0.00 N ATOM 1308 CA PRO A 86 -2.869 -11.106 5.721 1.00 0.00 C ATOM 1309 C PRO A 86 -3.851 -11.009 4.551 1.00 0.00 C ATOM 1310 O PRO A 86 -4.189 -9.912 4.109 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.475 -10.663 7.043 1.00 0.00 C ATOM 1312 CG PRO A 86 -2.938 -9.264 7.300 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.776 -9.029 6.349 1.00 0.00 C ATOM 0 HA PRO A 86 -2.589 -12.159 5.759 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.564 -10.660 6.992 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.195 -11.343 7.848 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.719 -8.520 7.140 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.610 -9.165 8.335 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.933 -8.135 5.745 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.842 -8.887 6.892 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.280 -12.171 4.083 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.216 -12.231 2.973 1.00 0.00 C ATOM 1323 C PHE A 87 -6.629 -11.861 3.427 1.00 0.00 C ATOM 1324 O PHE A 87 -6.863 -11.625 4.611 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.217 -13.675 2.466 1.00 0.00 C ATOM 1326 CG PHE A 87 -3.873 -14.136 1.898 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.081 -13.257 1.227 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.471 -15.424 2.064 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -1.834 -13.685 0.700 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.224 -15.852 1.537 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.432 -14.974 0.866 1.00 0.00 C ATOM 0 H PHE A 87 -3.997 -13.079 4.452 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.917 -11.527 2.196 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.500 -14.337 3.285 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.980 -13.778 1.695 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.401 -12.234 1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.100 -16.122 2.597 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.205 -12.987 0.167 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.905 -16.875 1.669 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.484 -15.300 0.465 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.536 -11.823 2.461 1.00 0.00 N ATOM 1342 CA GLY A 88 -8.920 -11.486 2.746 1.00 0.00 C ATOM 1343 C GLY A 88 -9.008 -10.334 3.749 1.00 0.00 C ATOM 1344 O GLY A 88 -9.899 -10.311 4.597 1.00 0.00 O ATOM 0 H GLY A 88 -7.339 -12.020 1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.428 -11.209 1.822 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.436 -12.360 3.144 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.072 -9.406 3.619 1.00 0.00 N ATOM 1349 CA LYS A 89 -8.033 -8.253 4.503 1.00 0.00 C ATOM 1350 C LYS A 89 -7.976 -6.975 3.665 1.00 0.00 C ATOM 1351 O LYS A 89 -7.953 -7.034 2.436 1.00 0.00 O ATOM 1352 CB LYS A 89 -6.882 -8.384 5.503 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.283 -9.265 6.688 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.548 -8.418 7.935 1.00 0.00 C ATOM 1355 CE LYS A 89 -6.238 -8.042 8.630 1.00 0.00 C ATOM 1356 NZ LYS A 89 -6.426 -6.840 9.474 1.00 0.00 N ATOM 0 H LYS A 89 -7.334 -9.429 2.915 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.942 -8.201 5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.011 -8.811 5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.592 -7.396 5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.176 -9.836 6.435 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.492 -9.985 6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.089 -7.514 7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.185 -8.970 8.626 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.893 -8.874 9.244 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.465 -7.853 7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.528 -6.598 9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.734 -6.044 8.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.149 -7.033 10.197 1.00 0.00 H new ATOM 1370 N THR A 90 -7.957 -5.848 4.362 1.00 0.00 N ATOM 1371 CA THR A 90 -7.904 -4.557 3.698 1.00 0.00 C ATOM 1372 C THR A 90 -6.809 -3.685 4.314 1.00 0.00 C ATOM 1373 O THR A 90 -6.872 -3.343 5.494 1.00 0.00 O ATOM 1374 CB THR A 90 -9.297 -3.928 3.775 1.00 0.00 C ATOM 1375 OG1 THR A 90 -10.092 -4.741 2.916 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.349 -2.542 3.130 1.00 0.00 C ATOM 0 H THR A 90 -7.977 -5.803 5.381 1.00 0.00 H new ATOM 0 HA THR A 90 -7.637 -4.664 2.647 1.00 0.00 H new ATOM 0 HB THR A 90 -9.606 -3.855 4.818 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.013 -4.405 2.907 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.359 -2.140 3.212 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.652 -1.877 3.640 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.073 -2.620 2.078 1.00 0.00 H new ATOM 1384 N THR A 91 -5.829 -3.349 3.487 1.00 0.00 N ATOM 1385 CA THR A 91 -4.721 -2.522 3.936 1.00 0.00 C ATOM 1386 C THR A 91 -4.860 -1.101 3.388 1.00 0.00 C ATOM 1387 O THR A 91 -5.418 -0.899 2.310 1.00 0.00 O ATOM 1388 CB THR A 91 -3.420 -3.210 3.518 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.258 -4.255 4.474 1.00 0.00 O ATOM 1390 CG2 THR A 91 -2.194 -2.319 3.729 1.00 0.00 C ATOM 0 H THR A 91 -5.779 -3.634 2.509 1.00 0.00 H new ATOM 0 HA THR A 91 -4.718 -2.419 5.021 1.00 0.00 H new ATOM 0 HB THR A 91 -3.483 -3.500 2.469 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.438 -4.754 4.277 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.297 -2.854 3.417 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.299 -1.410 3.137 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.112 -2.057 4.784 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.343 -0.152 4.155 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.403 1.245 3.760 1.00 0.00 C ATOM 1400 C VAL A 92 -3.005 1.715 3.353 1.00 0.00 C ATOM 1401 O VAL A 92 -2.032 1.470 4.065 1.00 0.00 O ATOM 1402 CB VAL A 92 -5.011 2.082 4.887 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -5.007 3.570 4.528 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -6.425 1.603 5.224 1.00 0.00 C ATOM 0 H VAL A 92 -3.881 -0.323 5.048 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.053 1.370 2.894 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.392 1.950 5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.444 4.143 5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.982 3.901 4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.592 3.727 3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.834 2.215 6.028 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.059 1.692 4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.390 0.561 5.542 1.00 0.00 H new ATOM 1414 N MET A 93 -2.949 2.383 2.210 1.00 0.00 N ATOM 1415 CA MET A 93 -1.686 2.890 1.700 1.00 0.00 C ATOM 1416 C MET A 93 -1.895 4.177 0.901 1.00 0.00 C ATOM 1417 O MET A 93 -2.934 4.358 0.268 1.00 0.00 O ATOM 1418 CB MET A 93 -1.035 1.833 0.806 1.00 0.00 C ATOM 1419 CG MET A 93 -0.338 0.759 1.643 1.00 0.00 C ATOM 1420 SD MET A 93 0.139 -0.611 0.604 1.00 0.00 S ATOM 1421 CE MET A 93 0.980 -1.632 1.804 1.00 0.00 C ATOM 0 H MET A 93 -3.758 2.585 1.622 1.00 0.00 H new ATOM 0 HA MET A 93 -1.036 3.112 2.547 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.792 1.371 0.173 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.312 2.308 0.143 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.542 1.180 2.130 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.005 0.412 2.433 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.062 -2.650 1.422 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.977 -1.232 1.987 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.415 -1.638 2.736 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.890 5.039 0.956 1.00 0.00 N ATOM 1432 CA HIS A 94 -0.951 6.305 0.245 1.00 0.00 C ATOM 1433 C HIS A 94 -0.038 6.249 -0.982 1.00 0.00 C ATOM 1434 O HIS A 94 0.900 5.454 -1.026 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.617 7.470 1.179 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.700 7.780 2.185 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -2.263 6.815 3.001 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.315 8.956 2.497 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -3.176 7.396 3.766 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -3.207 8.723 3.452 1.00 0.00 N ATOM 0 H HIS A 94 -0.029 4.886 1.482 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.967 6.479 -0.108 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.306 7.242 1.712 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.427 8.360 0.579 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.111 9.915 2.044 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.788 6.905 4.508 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -3.815 9.421 3.880 1.00 0.00 H new