USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 833 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 83 THR OG1 : rot 180:sc= -0.0633 USER MOD Set 1.2: A 86 GLN : amide:sc= -1.43 X(o=-1.5,f=-2!) USER MOD Set 2.1: A 76 SER OG : rot 80:sc= -0.963 USER MOD Set 2.2: A 78 ASN : amide:sc= -5.64! C(o=-6.6!,f=-6.4!) USER MOD Single : A 13 GLN : amide:sc= -0.614 K(o=-0.61,f=-4.8!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0493 USER MOD Single : A 45 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.031) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 151:sc= -0.242 (180deg=-0.922) USER MOD Single : A 63 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.016) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot -146:sc= 0.374 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 180:sc= -0.4 USER MOD Single : A 79 SER OG : rot 84:sc= 1.31 USER MOD Single : A 81 GLN : amide:sc= -0.0123 K(o=-0.012,f=-2.2!) USER MOD Single : A 87 CYS SG : rot -25:sc= -1.4 USER MOD Single : A 89 THR OG1 : rot 71:sc= 0.13 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.737 K(o=-0.74,f=-1.3!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -46:sc= 0.445 USER MOD Single : A 106 MET CE :methyl 171:sc= -0.537 (180deg=-0.708) USER MOD Single : A 108 HIS : no HE2:sc= -1.15 K(o=-1.2,f=-2.1) USER MOD Single : A 115 GLN : amide:sc= -5.02! C(o=-5!,f=-9.4!) USER MOD Single : A 116 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.26) USER MOD Single : A 117 ASN : amide:sc= 1.15 K(o=1.2,f=-0.028) USER MOD Single : A 120 HIS : no HD1:sc= -0.154 X(o=-0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 122 N VAL A 12 -2.806 16.149 -2.837 1.00 0.00 N ATOM 123 CA VAL A 12 -3.317 15.329 -1.745 1.00 0.00 C ATOM 124 C VAL A 12 -4.783 14.972 -1.966 1.00 0.00 C ATOM 125 O VAL A 12 -5.159 13.801 -1.925 1.00 0.00 O ATOM 126 CB VAL A 12 -3.173 16.046 -0.390 1.00 0.00 C ATOM 127 CG1 VAL A 12 -3.779 15.207 0.725 1.00 0.00 C ATOM 128 CG2 VAL A 12 -1.711 16.353 -0.103 1.00 0.00 C ATOM 0 HA VAL A 12 -2.722 14.416 -1.729 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.716 16.990 -0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.668 15.730 1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.837 15.043 0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.266 14.246 0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.628 16.860 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.143 15.423 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.313 16.996 -0.888 1.00 0.00 H new ATOM 138 N GLN A 13 -5.605 15.990 -2.200 1.00 0.00 N ATOM 139 CA GLN A 13 -7.031 15.783 -2.427 1.00 0.00 C ATOM 140 C GLN A 13 -7.265 14.896 -3.646 1.00 0.00 C ATOM 141 O GLN A 13 -7.922 13.860 -3.553 1.00 0.00 O ATOM 142 CB GLN A 13 -7.739 17.126 -2.614 1.00 0.00 C ATOM 143 CG GLN A 13 -9.198 16.992 -3.021 1.00 0.00 C ATOM 144 CD GLN A 13 -10.078 16.505 -1.886 1.00 0.00 C ATOM 145 OE1 GLN A 13 -9.601 15.873 -0.943 1.00 0.00 O ATOM 146 NE2 GLN A 13 -11.370 16.797 -1.972 1.00 0.00 N ATOM 0 H GLN A 13 -5.309 16.965 -2.237 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.444 15.282 -1.552 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.680 17.691 -1.684 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.210 17.704 -3.372 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.564 17.957 -3.371 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.275 16.299 -3.859 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.722 17.323 -2.772 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.011 16.495 -1.238 1.00 0.00 H new ATOM 155 N GLU A 14 -6.723 15.311 -4.786 1.00 0.00 N ATOM 156 CA GLU A 14 -6.875 14.554 -6.023 1.00 0.00 C ATOM 157 C GLU A 14 -6.594 13.072 -5.792 1.00 0.00 C ATOM 158 O GLU A 14 -7.348 12.210 -6.243 1.00 0.00 O ATOM 159 CB GLU A 14 -5.935 15.101 -7.100 1.00 0.00 C ATOM 160 CG GLU A 14 -6.491 16.305 -7.840 1.00 0.00 C ATOM 161 CD GLU A 14 -5.940 16.432 -9.247 1.00 0.00 C ATOM 162 OE1 GLU A 14 -4.709 16.303 -9.416 1.00 0.00 O ATOM 163 OE2 GLU A 14 -6.739 16.660 -10.178 1.00 0.00 O ATOM 0 H GLU A 14 -6.175 16.166 -4.879 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.906 14.662 -6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.987 15.376 -6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.721 14.310 -7.819 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.577 16.229 -7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.258 17.210 -7.280 1.00 0.00 H new ATOM 170 N GLU A 15 -5.504 12.785 -5.087 1.00 0.00 N ATOM 171 CA GLU A 15 -5.124 11.407 -4.797 1.00 0.00 C ATOM 172 C GLU A 15 -6.287 10.642 -4.173 1.00 0.00 C ATOM 173 O GLU A 15 -6.730 9.622 -4.703 1.00 0.00 O ATOM 174 CB GLU A 15 -3.915 11.375 -3.859 1.00 0.00 C ATOM 175 CG GLU A 15 -3.093 10.102 -3.970 1.00 0.00 C ATOM 176 CD GLU A 15 -2.035 9.996 -2.889 1.00 0.00 C ATOM 177 OE1 GLU A 15 -2.405 9.957 -1.697 1.00 0.00 O ATOM 178 OE2 GLU A 15 -0.836 9.950 -3.236 1.00 0.00 O ATOM 0 H GLU A 15 -4.869 13.487 -4.707 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.858 10.924 -5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.275 12.231 -4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.260 11.486 -2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.756 9.239 -3.910 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.613 10.068 -4.948 1.00 0.00 H new ATOM 185 N LEU A 16 -6.776 11.139 -3.042 1.00 0.00 N ATOM 186 CA LEU A 16 -7.887 10.503 -2.344 1.00 0.00 C ATOM 187 C LEU A 16 -9.055 10.253 -3.292 1.00 0.00 C ATOM 188 O LEU A 16 -9.642 9.171 -3.300 1.00 0.00 O ATOM 189 CB LEU A 16 -8.344 11.373 -1.172 1.00 0.00 C ATOM 190 CG LEU A 16 -7.347 11.530 -0.023 1.00 0.00 C ATOM 191 CD1 LEU A 16 -7.865 12.527 1.001 1.00 0.00 C ATOM 192 CD2 LEU A 16 -7.072 10.184 0.631 1.00 0.00 C ATOM 0 H LEU A 16 -6.420 11.981 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.541 9.542 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.586 12.365 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.266 10.952 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.411 11.912 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.142 12.625 1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.010 13.496 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.815 12.175 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.361 10.314 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.002 9.773 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.656 9.499 -0.108 1.00 0.00 H new ATOM 204 N SER A 17 -9.387 11.261 -4.093 1.00 0.00 N ATOM 205 CA SER A 17 -10.486 11.152 -5.045 1.00 0.00 C ATOM 206 C SER A 17 -10.221 10.039 -6.054 1.00 0.00 C ATOM 207 O SER A 17 -10.981 9.074 -6.145 1.00 0.00 O ATOM 208 CB SER A 17 -10.690 12.480 -5.776 1.00 0.00 C ATOM 209 OG SER A 17 -11.883 12.465 -6.539 1.00 0.00 O ATOM 0 H SER A 17 -8.910 12.163 -4.101 1.00 0.00 H new ATOM 0 HA SER A 17 -11.392 10.909 -4.490 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.728 13.295 -5.053 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.839 12.673 -6.430 1.00 0.00 H new ATOM 0 HG SER A 17 -11.991 13.326 -6.995 1.00 0.00 H new ATOM 215 N VAL A 18 -9.138 10.180 -6.812 1.00 0.00 N ATOM 216 CA VAL A 18 -8.772 9.187 -7.815 1.00 0.00 C ATOM 217 C VAL A 18 -8.825 7.777 -7.237 1.00 0.00 C ATOM 218 O VAL A 18 -9.449 6.883 -7.810 1.00 0.00 O ATOM 219 CB VAL A 18 -7.360 9.448 -8.373 1.00 0.00 C ATOM 220 CG1 VAL A 18 -6.984 8.383 -9.392 1.00 0.00 C ATOM 221 CG2 VAL A 18 -7.279 10.838 -8.987 1.00 0.00 C ATOM 0 H VAL A 18 -8.499 10.972 -6.750 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.497 9.272 -8.625 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.647 9.397 -7.550 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.984 8.583 -9.775 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.001 7.402 -8.916 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.698 8.399 -10.215 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.275 11.006 -9.376 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.001 10.920 -9.799 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.503 11.586 -8.226 1.00 0.00 H new ATOM 231 N LEU A 19 -8.167 7.585 -6.099 1.00 0.00 N ATOM 232 CA LEU A 19 -8.139 6.283 -5.442 1.00 0.00 C ATOM 233 C LEU A 19 -9.553 5.760 -5.210 1.00 0.00 C ATOM 234 O LEU A 19 -9.905 4.670 -5.662 1.00 0.00 O ATOM 235 CB LEU A 19 -7.393 6.378 -4.110 1.00 0.00 C ATOM 236 CG LEU A 19 -5.867 6.404 -4.196 1.00 0.00 C ATOM 237 CD1 LEU A 19 -5.256 6.534 -2.809 1.00 0.00 C ATOM 238 CD2 LEU A 19 -5.350 5.155 -4.893 1.00 0.00 C ATOM 0 H LEU A 19 -7.646 8.314 -5.612 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.616 5.585 -6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.723 7.280 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.688 5.531 -3.490 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.571 7.273 -4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.169 6.551 -2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.600 7.459 -2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.561 5.686 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.262 5.191 -4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.657 4.272 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.760 5.105 -5.902 1.00 0.00 H new ATOM 250 N ALA A 20 -10.361 6.545 -4.505 1.00 0.00 N ATOM 251 CA ALA A 20 -11.738 6.163 -4.217 1.00 0.00 C ATOM 252 C ALA A 20 -12.401 5.538 -5.439 1.00 0.00 C ATOM 253 O ALA A 20 -13.232 4.638 -5.314 1.00 0.00 O ATOM 254 CB ALA A 20 -12.532 7.371 -3.743 1.00 0.00 C ATOM 0 H ALA A 20 -10.086 7.450 -4.123 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.724 5.417 -3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -13.558 7.072 -3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.077 7.773 -2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.530 8.135 -4.520 1.00 0.00 H new ATOM 260 N ALA A 21 -12.029 6.020 -6.620 1.00 0.00 N ATOM 261 CA ALA A 21 -12.588 5.507 -7.865 1.00 0.00 C ATOM 262 C ALA A 21 -12.323 4.012 -8.011 1.00 0.00 C ATOM 263 O ALA A 21 -13.244 3.229 -8.240 1.00 0.00 O ATOM 264 CB ALA A 21 -12.014 6.265 -9.053 1.00 0.00 C ATOM 0 H ALA A 21 -11.343 6.765 -6.741 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.667 5.657 -7.839 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.440 5.872 -9.976 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.259 7.323 -8.962 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.931 6.144 -9.073 1.00 0.00 H new ATOM 270 N ILE A 22 -11.059 3.625 -7.877 1.00 0.00 N ATOM 271 CA ILE A 22 -10.674 2.224 -7.993 1.00 0.00 C ATOM 272 C ILE A 22 -11.275 1.393 -6.864 1.00 0.00 C ATOM 273 O ILE A 22 -11.710 0.261 -7.076 1.00 0.00 O ATOM 274 CB ILE A 22 -9.143 2.058 -7.979 1.00 0.00 C ATOM 275 CG1 ILE A 22 -8.522 2.747 -9.196 1.00 0.00 C ATOM 276 CG2 ILE A 22 -8.770 0.583 -7.951 1.00 0.00 C ATOM 277 CD1 ILE A 22 -7.062 3.096 -9.013 1.00 0.00 C ATOM 0 H ILE A 22 -10.285 4.261 -7.688 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.061 1.868 -8.948 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.750 2.529 -7.078 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.626 2.096 -10.064 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.081 3.658 -9.412 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.685 0.482 -7.941 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.185 0.120 -7.056 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.172 0.089 -8.835 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.688 3.581 -9.915 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.953 3.772 -8.165 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.491 2.186 -8.827 1.00 0.00 H new ATOM 376 N GLU A 28 -15.093 -1.762 -0.286 1.00 0.00 N ATOM 377 CA GLU A 28 -13.677 -1.857 -0.621 1.00 0.00 C ATOM 378 C GLU A 28 -12.957 -0.547 -0.318 1.00 0.00 C ATOM 379 O GLU A 28 -11.732 -0.465 -0.407 1.00 0.00 O ATOM 380 CB GLU A 28 -13.502 -2.218 -2.098 1.00 0.00 C ATOM 381 CG GLU A 28 -13.571 -3.711 -2.372 1.00 0.00 C ATOM 382 CD GLU A 28 -12.351 -4.454 -1.864 1.00 0.00 C ATOM 383 OE1 GLU A 28 -12.296 -4.743 -0.650 1.00 0.00 O ATOM 384 OE2 GLU A 28 -11.452 -4.747 -2.679 1.00 0.00 O ATOM 0 HA GLU A 28 -13.237 -2.644 -0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.274 -1.714 -2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.541 -1.837 -2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.464 -4.122 -1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.671 -3.876 -3.445 1.00 0.00 H new ATOM 391 N TRP A 29 -13.726 0.475 0.040 1.00 0.00 N ATOM 392 CA TRP A 29 -13.162 1.782 0.356 1.00 0.00 C ATOM 393 C TRP A 29 -13.643 2.268 1.719 1.00 0.00 C ATOM 394 O TRP A 29 -14.793 2.679 1.870 1.00 0.00 O ATOM 395 CB TRP A 29 -13.539 2.798 -0.724 1.00 0.00 C ATOM 396 CG TRP A 29 -13.129 4.200 -0.389 1.00 0.00 C ATOM 397 CD1 TRP A 29 -13.944 5.215 0.026 1.00 0.00 C ATOM 398 CD2 TRP A 29 -11.805 4.742 -0.443 1.00 0.00 C ATOM 399 NE1 TRP A 29 -13.205 6.355 0.233 1.00 0.00 N ATOM 400 CE2 TRP A 29 -11.891 6.091 -0.047 1.00 0.00 C ATOM 401 CE3 TRP A 29 -10.555 4.219 -0.786 1.00 0.00 C ATOM 402 CZ2 TRP A 29 -10.774 6.921 0.014 1.00 0.00 C ATOM 403 CZ3 TRP A 29 -9.448 5.044 -0.725 1.00 0.00 C ATOM 404 CH2 TRP A 29 -9.563 6.382 -0.327 1.00 0.00 C ATOM 0 H TRP A 29 -14.742 0.424 0.119 1.00 0.00 H new ATOM 0 HA TRP A 29 -12.077 1.683 0.389 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -13.074 2.506 -1.666 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.618 2.770 -0.879 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -15.011 5.133 0.170 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -13.576 7.253 0.545 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.456 3.188 -1.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -10.860 7.953 0.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.478 4.650 -0.989 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.679 7.001 -0.288 1.00 0.00 H new ATOM 415 N GLU A 30 -12.756 2.217 2.708 1.00 0.00 N ATOM 416 CA GLU A 30 -13.093 2.652 4.058 1.00 0.00 C ATOM 417 C GLU A 30 -12.039 3.615 4.598 1.00 0.00 C ATOM 418 O GLU A 30 -10.842 3.430 4.378 1.00 0.00 O ATOM 419 CB GLU A 30 -13.222 1.445 4.989 1.00 0.00 C ATOM 420 CG GLU A 30 -14.150 1.682 6.169 1.00 0.00 C ATOM 421 CD GLU A 30 -15.602 1.404 5.833 1.00 0.00 C ATOM 422 OE1 GLU A 30 -16.290 2.331 5.355 1.00 0.00 O ATOM 423 OE2 GLU A 30 -16.052 0.259 6.048 1.00 0.00 O ATOM 0 H GLU A 30 -11.800 1.879 2.600 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.049 3.173 4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.587 0.592 4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.234 1.178 5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.845 1.046 7.000 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.050 2.714 6.504 1.00 0.00 H new ATOM 430 N VAL A 31 -12.494 4.643 5.307 1.00 0.00 N ATOM 431 CA VAL A 31 -11.592 5.635 5.880 1.00 0.00 C ATOM 432 C VAL A 31 -11.893 5.864 7.357 1.00 0.00 C ATOM 433 O VAL A 31 -12.910 6.462 7.709 1.00 0.00 O ATOM 434 CB VAL A 31 -11.689 6.979 5.134 1.00 0.00 C ATOM 435 CG1 VAL A 31 -13.144 7.366 4.917 1.00 0.00 C ATOM 436 CG2 VAL A 31 -10.947 8.067 5.897 1.00 0.00 C ATOM 0 H VAL A 31 -13.482 4.811 5.498 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.581 5.241 5.775 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.219 6.867 4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.192 8.318 4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -13.641 6.597 4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.643 7.461 5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.026 9.010 5.355 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.386 8.180 6.888 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.897 7.791 5.994 1.00 0.00 H new ATOM 446 N LEU A 32 -11.001 5.384 8.217 1.00 0.00 N ATOM 447 CA LEU A 32 -11.170 5.536 9.658 1.00 0.00 C ATOM 448 C LEU A 32 -11.432 6.993 10.025 1.00 0.00 C ATOM 449 O LEU A 32 -12.480 7.326 10.578 1.00 0.00 O ATOM 450 CB LEU A 32 -9.929 5.028 10.394 1.00 0.00 C ATOM 451 CG LEU A 32 -9.385 3.674 9.937 1.00 0.00 C ATOM 452 CD1 LEU A 32 -8.160 3.289 10.750 1.00 0.00 C ATOM 453 CD2 LEU A 32 -10.460 2.602 10.049 1.00 0.00 C ATOM 0 H LEU A 32 -10.154 4.887 7.942 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.033 4.943 9.962 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.138 5.770 10.286 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.162 4.963 11.457 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.090 3.757 8.891 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.787 2.323 10.411 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.385 4.044 10.619 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.429 3.224 11.804 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.055 1.645 9.720 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.786 2.521 11.086 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.310 2.872 9.422 1.00 0.00 H new ATOM 465 N SER A 33 -10.472 7.858 9.712 1.00 0.00 N ATOM 466 CA SER A 33 -10.598 9.280 10.010 1.00 0.00 C ATOM 467 C SER A 33 -9.920 10.123 8.934 1.00 0.00 C ATOM 468 O SER A 33 -8.858 9.762 8.426 1.00 0.00 O ATOM 469 CB SER A 33 -9.989 9.592 11.378 1.00 0.00 C ATOM 470 OG SER A 33 -10.308 10.910 11.790 1.00 0.00 O ATOM 0 H SER A 33 -9.599 7.599 9.252 1.00 0.00 H new ATOM 0 HA SER A 33 -11.659 9.530 10.027 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.357 8.878 12.115 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.906 9.474 11.333 1.00 0.00 H new ATOM 0 HG SER A 33 -9.909 11.084 12.668 1.00 0.00 H new ATOM 476 N ARG A 34 -10.541 11.247 8.593 1.00 0.00 N ATOM 477 CA ARG A 34 -9.998 12.141 7.577 1.00 0.00 C ATOM 478 C ARG A 34 -10.035 13.591 8.053 1.00 0.00 C ATOM 479 O ARG A 34 -11.106 14.171 8.227 1.00 0.00 O ATOM 480 CB ARG A 34 -10.785 12.002 6.272 1.00 0.00 C ATOM 481 CG ARG A 34 -12.272 12.274 6.426 1.00 0.00 C ATOM 482 CD ARG A 34 -13.045 11.860 5.184 1.00 0.00 C ATOM 483 NE ARG A 34 -14.490 11.927 5.390 1.00 0.00 N ATOM 484 CZ ARG A 34 -15.368 12.061 4.402 1.00 0.00 C ATOM 485 NH1 ARG A 34 -14.951 12.141 3.146 1.00 0.00 N ATOM 486 NH2 ARG A 34 -16.666 12.115 4.670 1.00 0.00 N ATOM 0 H ARG A 34 -11.420 11.560 9.005 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.960 11.861 7.399 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -10.373 12.690 5.534 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -10.647 10.994 5.880 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -12.654 11.733 7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.431 13.335 6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -12.767 12.507 4.352 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.765 10.844 4.905 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.844 11.868 6.345 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.954 12.100 2.936 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -15.628 12.244 2.390 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.990 12.054 5.635 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.340 12.218 3.911 1.00 0.00 H new ATOM 552 N GLY A 39 -4.210 15.718 9.169 1.00 0.00 N ATOM 553 CA GLY A 39 -3.737 14.613 8.356 1.00 0.00 C ATOM 554 C GLY A 39 -4.872 13.790 7.779 1.00 0.00 C ATOM 555 O GLY A 39 -6.034 14.193 7.837 1.00 0.00 O ATOM 0 HA2 GLY A 39 -3.124 15.001 7.543 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.096 13.970 8.960 1.00 0.00 H new ATOM 559 N THR A 40 -4.535 12.632 7.219 1.00 0.00 N ATOM 560 CA THR A 40 -5.534 11.752 6.626 1.00 0.00 C ATOM 561 C THR A 40 -5.119 10.290 6.746 1.00 0.00 C ATOM 562 O THR A 40 -4.040 9.902 6.298 1.00 0.00 O ATOM 563 CB THR A 40 -5.768 12.086 5.141 1.00 0.00 C ATOM 564 OG1 THR A 40 -6.017 13.488 4.988 1.00 0.00 O ATOM 565 CG2 THR A 40 -6.941 11.294 4.586 1.00 0.00 C ATOM 0 H THR A 40 -3.578 12.282 7.164 1.00 0.00 H new ATOM 0 HA THR A 40 -6.461 11.911 7.177 1.00 0.00 H new ATOM 0 HB THR A 40 -4.871 11.814 4.585 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.163 13.693 4.041 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.087 11.547 3.536 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.736 10.227 4.677 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.843 11.539 5.147 1.00 0.00 H new ATOM 573 N VAL A 41 -5.982 9.482 7.354 1.00 0.00 N ATOM 574 CA VAL A 41 -5.705 8.062 7.532 1.00 0.00 C ATOM 575 C VAL A 41 -6.896 7.212 7.103 1.00 0.00 C ATOM 576 O VAL A 41 -8.049 7.612 7.266 1.00 0.00 O ATOM 577 CB VAL A 41 -5.358 7.737 8.997 1.00 0.00 C ATOM 578 CG1 VAL A 41 -5.093 6.248 9.165 1.00 0.00 C ATOM 579 CG2 VAL A 41 -4.160 8.555 9.454 1.00 0.00 C ATOM 0 H VAL A 41 -6.879 9.787 7.732 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.847 7.825 6.902 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.210 8.003 9.622 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.849 6.037 10.206 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.982 5.686 8.879 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.257 5.953 8.530 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.929 8.313 10.491 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.300 8.322 8.826 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.392 9.617 9.372 1.00 0.00 H new ATOM 589 N PHE A 42 -6.610 6.037 6.553 1.00 0.00 N ATOM 590 CA PHE A 42 -7.657 5.129 6.099 1.00 0.00 C ATOM 591 C PHE A 42 -7.106 3.721 5.895 1.00 0.00 C ATOM 592 O PHE A 42 -5.895 3.526 5.794 1.00 0.00 O ATOM 593 CB PHE A 42 -8.275 5.641 4.796 1.00 0.00 C ATOM 594 CG PHE A 42 -7.261 6.132 3.803 1.00 0.00 C ATOM 595 CD1 PHE A 42 -6.638 5.249 2.935 1.00 0.00 C ATOM 596 CD2 PHE A 42 -6.930 7.476 3.738 1.00 0.00 C ATOM 597 CE1 PHE A 42 -5.704 5.698 2.022 1.00 0.00 C ATOM 598 CE2 PHE A 42 -5.996 7.931 2.826 1.00 0.00 C ATOM 599 CZ PHE A 42 -5.383 7.041 1.966 1.00 0.00 C ATOM 0 H PHE A 42 -5.661 5.691 6.411 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.428 5.090 6.868 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.859 4.841 4.341 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.968 6.450 5.026 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.886 4.198 2.973 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.407 8.176 4.408 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.225 5.000 1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.746 8.981 2.786 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.654 7.394 1.251 1.00 0.00 H new ATOM 609 N ARG A 43 -8.004 2.744 5.836 1.00 0.00 N ATOM 610 CA ARG A 43 -7.609 1.353 5.646 1.00 0.00 C ATOM 611 C ARG A 43 -8.556 0.646 4.681 1.00 0.00 C ATOM 612 O ARG A 43 -9.699 0.345 5.027 1.00 0.00 O ATOM 613 CB ARG A 43 -7.588 0.619 6.988 1.00 0.00 C ATOM 614 CG ARG A 43 -7.387 -0.882 6.857 1.00 0.00 C ATOM 615 CD ARG A 43 -7.937 -1.625 8.065 1.00 0.00 C ATOM 616 NE ARG A 43 -8.110 -3.050 7.799 1.00 0.00 N ATOM 617 CZ ARG A 43 -8.530 -3.922 8.709 1.00 0.00 C ATOM 618 NH1 ARG A 43 -8.819 -3.516 9.937 1.00 0.00 N ATOM 619 NH2 ARG A 43 -8.662 -5.204 8.390 1.00 0.00 N ATOM 0 H ARG A 43 -9.010 2.889 5.917 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.607 1.341 5.218 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.790 1.031 7.606 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.526 0.807 7.511 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.881 -1.239 5.953 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.325 -1.100 6.747 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.261 -1.493 8.910 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.895 -1.191 8.352 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.897 -3.395 6.863 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.719 -2.532 10.185 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.141 -4.188 10.634 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.441 -5.520 7.446 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.985 -5.873 9.089 1.00 0.00 H new ATOM 633 N ILE A 44 -8.073 0.384 3.471 1.00 0.00 N ATOM 634 CA ILE A 44 -8.876 -0.289 2.458 1.00 0.00 C ATOM 635 C ILE A 44 -8.373 -1.707 2.209 1.00 0.00 C ATOM 636 O ILE A 44 -7.190 -1.998 2.390 1.00 0.00 O ATOM 637 CB ILE A 44 -8.868 0.487 1.127 1.00 0.00 C ATOM 638 CG1 ILE A 44 -7.448 0.555 0.560 1.00 0.00 C ATOM 639 CG2 ILE A 44 -9.432 1.886 1.327 1.00 0.00 C ATOM 640 CD1 ILE A 44 -6.960 -0.761 -0.004 1.00 0.00 C ATOM 0 H ILE A 44 -7.130 0.628 3.169 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.896 -0.330 2.840 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.500 -0.040 0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.414 1.312 -0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.766 0.879 1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.420 2.422 0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.457 1.816 1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.824 2.423 2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.947 -0.639 -0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.962 -1.517 0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.619 -1.077 -0.813 1.00 0.00 H new ATOM 652 N HIS A 45 -9.278 -2.585 1.791 1.00 0.00 N ATOM 653 CA HIS A 45 -8.926 -3.974 1.515 1.00 0.00 C ATOM 654 C HIS A 45 -8.466 -4.140 0.069 1.00 0.00 C ATOM 655 O HIS A 45 -9.152 -3.721 -0.864 1.00 0.00 O ATOM 656 CB HIS A 45 -10.119 -4.889 1.791 1.00 0.00 C ATOM 657 CG HIS A 45 -10.168 -5.401 3.198 1.00 0.00 C ATOM 658 ND1 HIS A 45 -11.331 -5.464 3.936 1.00 0.00 N ATOM 659 CD2 HIS A 45 -9.188 -5.877 4.001 1.00 0.00 C ATOM 660 CE1 HIS A 45 -11.064 -5.955 5.133 1.00 0.00 C ATOM 661 NE2 HIS A 45 -9.770 -6.215 5.198 1.00 0.00 N ATOM 0 H HIS A 45 -10.261 -2.360 1.636 1.00 0.00 H new ATOM 0 HA HIS A 45 -8.104 -4.253 2.174 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -11.040 -4.346 1.578 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -10.083 -5.736 1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -8.143 -5.973 3.747 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.781 -6.116 5.924 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.283 -6.603 6.006 1.00 0.00 H new ATOM 670 N THR A 46 -7.300 -4.753 -0.109 1.00 0.00 N ATOM 671 CA THR A 46 -6.748 -4.973 -1.439 1.00 0.00 C ATOM 672 C THR A 46 -6.306 -6.421 -1.619 1.00 0.00 C ATOM 673 O THR A 46 -5.978 -7.106 -0.650 1.00 0.00 O ATOM 674 CB THR A 46 -5.549 -4.045 -1.710 1.00 0.00 C ATOM 675 OG1 THR A 46 -5.123 -4.180 -3.071 1.00 0.00 O ATOM 676 CG2 THR A 46 -4.392 -4.369 -0.777 1.00 0.00 C ATOM 0 H THR A 46 -6.720 -5.106 0.652 1.00 0.00 H new ATOM 0 HA THR A 46 -7.541 -4.747 -2.151 1.00 0.00 H new ATOM 0 HB THR A 46 -5.865 -3.018 -1.528 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.362 -3.586 -3.236 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.557 -3.701 -0.987 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.711 -4.237 0.257 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.078 -5.401 -0.931 1.00 0.00 H new ATOM 684 N LYS A 47 -6.298 -6.882 -2.865 1.00 0.00 N ATOM 685 CA LYS A 47 -5.894 -8.249 -3.173 1.00 0.00 C ATOM 686 C LYS A 47 -4.750 -8.264 -4.182 1.00 0.00 C ATOM 687 O LYS A 47 -4.507 -7.275 -4.873 1.00 0.00 O ATOM 688 CB LYS A 47 -7.082 -9.043 -3.721 1.00 0.00 C ATOM 689 CG LYS A 47 -7.696 -8.434 -4.970 1.00 0.00 C ATOM 690 CD LYS A 47 -9.142 -8.867 -5.148 1.00 0.00 C ATOM 691 CE LYS A 47 -10.069 -8.117 -4.205 1.00 0.00 C ATOM 692 NZ LYS A 47 -11.475 -8.112 -4.696 1.00 0.00 N ATOM 0 H LYS A 47 -6.567 -6.329 -3.679 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.548 -8.715 -2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.757 -10.059 -3.944 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.847 -9.116 -2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.646 -7.347 -4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.116 -8.731 -5.844 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.451 -8.692 -6.179 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.227 -9.939 -4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.031 -8.576 -3.217 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.720 -7.091 -4.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.075 -7.591 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.516 -7.651 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.817 -9.091 -4.779 1.00 0.00 H new ATOM 706 N ALA A 48 -4.053 -9.392 -4.263 1.00 0.00 N ATOM 707 CA ALA A 48 -2.938 -9.537 -5.190 1.00 0.00 C ATOM 708 C ALA A 48 -2.991 -10.881 -5.908 1.00 0.00 C ATOM 709 O ALA A 48 -3.746 -11.772 -5.520 1.00 0.00 O ATOM 710 CB ALA A 48 -1.615 -9.382 -4.453 1.00 0.00 C ATOM 0 H ALA A 48 -4.241 -10.220 -3.697 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.018 -8.751 -5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.791 -9.493 -5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.569 -8.395 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.537 -10.147 -3.680 1.00 0.00 H new ATOM 716 N GLU A 49 -2.185 -11.019 -6.956 1.00 0.00 N ATOM 717 CA GLU A 49 -2.143 -12.255 -7.728 1.00 0.00 C ATOM 718 C GLU A 49 -1.668 -13.421 -6.865 1.00 0.00 C ATOM 719 O GLU A 49 -0.483 -13.752 -6.847 1.00 0.00 O ATOM 720 CB GLU A 49 -1.222 -12.095 -8.939 1.00 0.00 C ATOM 721 CG GLU A 49 -1.897 -11.450 -10.137 1.00 0.00 C ATOM 722 CD GLU A 49 -2.544 -12.465 -11.059 1.00 0.00 C ATOM 723 OE1 GLU A 49 -2.014 -13.589 -11.170 1.00 0.00 O ATOM 724 OE2 GLU A 49 -3.582 -12.134 -11.670 1.00 0.00 O ATOM 0 H GLU A 49 -1.553 -10.291 -7.289 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.154 -12.470 -8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.359 -11.494 -8.652 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.845 -13.075 -9.230 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.654 -10.747 -9.788 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.161 -10.873 -10.697 1.00 0.00 H new ATOM 731 N GLY A 50 -2.603 -14.039 -6.149 1.00 0.00 N ATOM 732 CA GLY A 50 -2.261 -15.159 -5.293 1.00 0.00 C ATOM 733 C GLY A 50 -1.147 -16.010 -5.868 1.00 0.00 C ATOM 734 O GLY A 50 -0.983 -16.091 -7.086 1.00 0.00 O ATOM 0 H GLY A 50 -3.591 -13.784 -6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.960 -14.785 -4.314 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.145 -15.778 -5.140 1.00 0.00 H new ATOM 738 N PHE A 51 -0.376 -16.645 -4.991 1.00 0.00 N ATOM 739 CA PHE A 51 0.731 -17.492 -5.419 1.00 0.00 C ATOM 740 C PHE A 51 0.242 -18.598 -6.350 1.00 0.00 C ATOM 741 O PHE A 51 0.923 -18.963 -7.308 1.00 0.00 O ATOM 742 CB PHE A 51 1.431 -18.105 -4.204 1.00 0.00 C ATOM 743 CG PHE A 51 2.394 -17.169 -3.531 1.00 0.00 C ATOM 744 CD1 PHE A 51 1.955 -15.968 -2.997 1.00 0.00 C ATOM 745 CD2 PHE A 51 3.738 -17.490 -3.433 1.00 0.00 C ATOM 746 CE1 PHE A 51 2.838 -15.105 -2.377 1.00 0.00 C ATOM 747 CE2 PHE A 51 4.626 -16.631 -2.814 1.00 0.00 C ATOM 748 CZ PHE A 51 4.176 -15.436 -2.287 1.00 0.00 C ATOM 0 H PHE A 51 -0.498 -16.589 -3.980 1.00 0.00 H new ATOM 0 HA PHE A 51 1.441 -16.870 -5.964 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.678 -18.420 -3.482 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.967 -19.001 -4.517 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.910 -15.703 -3.066 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.096 -18.422 -3.845 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.483 -14.173 -1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.671 -16.894 -2.742 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.869 -14.762 -1.806 1.00 0.00 H new ATOM 758 N MET A 52 -0.942 -19.126 -6.060 1.00 0.00 N ATOM 759 CA MET A 52 -1.523 -20.190 -6.871 1.00 0.00 C ATOM 760 C MET A 52 -2.793 -19.711 -7.568 1.00 0.00 C ATOM 761 O MET A 52 -3.758 -20.462 -7.706 1.00 0.00 O ATOM 762 CB MET A 52 -1.834 -21.411 -6.003 1.00 0.00 C ATOM 763 CG MET A 52 -2.863 -21.139 -4.917 1.00 0.00 C ATOM 764 SD MET A 52 -2.630 -22.180 -3.464 1.00 0.00 S ATOM 765 CE MET A 52 -1.045 -21.589 -2.874 1.00 0.00 C ATOM 0 H MET A 52 -1.518 -18.835 -5.270 1.00 0.00 H new ATOM 0 HA MET A 52 -0.795 -20.470 -7.632 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.196 -22.217 -6.641 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.912 -21.761 -5.539 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.806 -20.091 -4.622 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.863 -21.302 -5.320 1.00 0.00 H new ATOM 0 HE1 MET A 52 -0.989 -21.714 -1.793 1.00 0.00 H new ATOM 0 HE2 MET A 52 -0.245 -22.159 -3.347 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.935 -20.534 -3.123 1.00 0.00 H new ATOM 775 N ASP A 53 -2.785 -18.456 -8.004 1.00 0.00 N ATOM 776 CA ASP A 53 -3.936 -17.877 -8.687 1.00 0.00 C ATOM 777 C ASP A 53 -5.155 -17.852 -7.772 1.00 0.00 C ATOM 778 O ASP A 53 -6.216 -18.370 -8.120 1.00 0.00 O ATOM 779 CB ASP A 53 -4.252 -18.667 -9.958 1.00 0.00 C ATOM 780 CG ASP A 53 -3.021 -18.920 -10.805 1.00 0.00 C ATOM 781 OD1 ASP A 53 -2.670 -18.040 -11.620 1.00 0.00 O ATOM 782 OD2 ASP A 53 -2.407 -19.996 -10.653 1.00 0.00 O ATOM 0 H ASP A 53 -1.995 -17.820 -7.897 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.688 -16.851 -8.959 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.704 -19.621 -9.686 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.989 -18.121 -10.547 1.00 0.00 H new ATOM 787 N ALA A 54 -4.996 -17.248 -6.599 1.00 0.00 N ATOM 788 CA ALA A 54 -6.084 -17.155 -5.633 1.00 0.00 C ATOM 789 C ALA A 54 -6.060 -15.814 -4.906 1.00 0.00 C ATOM 790 O ALA A 54 -5.113 -15.508 -4.181 1.00 0.00 O ATOM 791 CB ALA A 54 -6.004 -18.300 -4.636 1.00 0.00 C ATOM 0 H ALA A 54 -4.124 -16.816 -6.295 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.026 -17.227 -6.176 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.822 -18.218 -3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.079 -19.250 -5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.053 -18.255 -4.106 1.00 0.00 H new ATOM 797 N ASP A 55 -7.105 -15.020 -5.105 1.00 0.00 N ATOM 798 CA ASP A 55 -7.204 -13.712 -4.468 1.00 0.00 C ATOM 799 C ASP A 55 -6.882 -13.807 -2.980 1.00 0.00 C ATOM 800 O ASP A 55 -7.628 -14.413 -2.211 1.00 0.00 O ATOM 801 CB ASP A 55 -8.605 -13.130 -4.663 1.00 0.00 C ATOM 802 CG ASP A 55 -9.680 -14.198 -4.663 1.00 0.00 C ATOM 803 OD1 ASP A 55 -9.746 -14.972 -5.641 1.00 0.00 O ATOM 804 OD2 ASP A 55 -10.457 -14.259 -3.687 1.00 0.00 O ATOM 0 H ASP A 55 -7.896 -15.259 -5.703 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.476 -13.051 -4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.811 -12.412 -3.869 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.640 -12.583 -5.605 1.00 0.00 H new ATOM 809 N ILE A 56 -5.766 -13.205 -2.581 1.00 0.00 N ATOM 810 CA ILE A 56 -5.345 -13.222 -1.186 1.00 0.00 C ATOM 811 C ILE A 56 -5.653 -11.894 -0.503 1.00 0.00 C ATOM 812 O ILE A 56 -5.361 -10.817 -1.023 1.00 0.00 O ATOM 813 CB ILE A 56 -3.839 -13.517 -1.055 1.00 0.00 C ATOM 814 CG1 ILE A 56 -3.559 -14.992 -1.347 1.00 0.00 C ATOM 815 CG2 ILE A 56 -3.345 -13.143 0.334 1.00 0.00 C ATOM 816 CD1 ILE A 56 -2.086 -15.319 -1.448 1.00 0.00 C ATOM 0 H ILE A 56 -5.137 -12.699 -3.205 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.906 -14.018 -0.697 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.300 -12.913 -1.785 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.005 -15.601 -0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.049 -15.269 -2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.279 -13.357 0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.515 -12.080 0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.887 -13.723 1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.963 -16.382 -1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.638 -14.737 -2.254 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.594 -15.074 -0.507 1.00 0.00 H new ATOM 828 N PRO A 57 -6.256 -11.970 0.693 1.00 0.00 N ATOM 829 CA PRO A 57 -6.615 -10.783 1.476 1.00 0.00 C ATOM 830 C PRO A 57 -5.391 -10.062 2.029 1.00 0.00 C ATOM 831 O PRO A 57 -4.532 -10.674 2.666 1.00 0.00 O ATOM 832 CB PRO A 57 -7.461 -11.353 2.617 1.00 0.00 C ATOM 833 CG PRO A 57 -7.005 -12.764 2.758 1.00 0.00 C ATOM 834 CD PRO A 57 -6.634 -13.220 1.374 1.00 0.00 C ATOM 0 HA PRO A 57 -7.135 -10.039 0.873 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.309 -10.794 3.540 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.525 -11.302 2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.152 -12.833 3.433 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.794 -13.389 3.176 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.809 -13.932 1.393 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.469 -13.712 0.876 1.00 0.00 H new ATOM 842 N LEU A 58 -5.316 -8.759 1.782 1.00 0.00 N ATOM 843 CA LEU A 58 -4.196 -7.953 2.256 1.00 0.00 C ATOM 844 C LEU A 58 -4.691 -6.701 2.973 1.00 0.00 C ATOM 845 O LEU A 58 -5.768 -6.188 2.673 1.00 0.00 O ATOM 846 CB LEU A 58 -3.292 -7.561 1.086 1.00 0.00 C ATOM 847 CG LEU A 58 -2.397 -8.669 0.529 1.00 0.00 C ATOM 848 CD1 LEU A 58 -1.967 -8.343 -0.893 1.00 0.00 C ATOM 849 CD2 LEU A 58 -1.183 -8.873 1.423 1.00 0.00 C ATOM 0 H LEU A 58 -6.018 -8.238 1.256 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.623 -8.552 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.920 -7.187 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.657 -6.734 1.405 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.968 -9.597 0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.331 -9.142 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.849 -8.248 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.413 -7.404 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.557 -9.665 1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.610 -7.947 1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.511 -9.153 2.424 1.00 0.00 H new ATOM 861 N GLU A 59 -3.895 -6.214 3.920 1.00 0.00 N ATOM 862 CA GLU A 59 -4.253 -5.021 4.678 1.00 0.00 C ATOM 863 C GLU A 59 -3.239 -3.904 4.446 1.00 0.00 C ATOM 864 O GLU A 59 -2.107 -3.967 4.928 1.00 0.00 O ATOM 865 CB GLU A 59 -4.338 -5.344 6.171 1.00 0.00 C ATOM 866 CG GLU A 59 -5.052 -4.278 6.985 1.00 0.00 C ATOM 867 CD GLU A 59 -4.112 -3.198 7.485 1.00 0.00 C ATOM 868 OE1 GLU A 59 -3.361 -2.637 6.660 1.00 0.00 O ATOM 869 OE2 GLU A 59 -4.128 -2.915 8.701 1.00 0.00 O ATOM 0 H GLU A 59 -2.999 -6.627 4.180 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.229 -4.681 4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.856 -6.295 6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.330 -5.474 6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.832 -3.822 6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.546 -4.746 7.836 1.00 0.00 H new ATOM 876 N LEU A 60 -3.652 -2.883 3.703 1.00 0.00 N ATOM 877 CA LEU A 60 -2.781 -1.752 3.405 1.00 0.00 C ATOM 878 C LEU A 60 -3.316 -0.471 4.038 1.00 0.00 C ATOM 879 O LEU A 60 -4.388 0.013 3.675 1.00 0.00 O ATOM 880 CB LEU A 60 -2.648 -1.569 1.892 1.00 0.00 C ATOM 881 CG LEU A 60 -1.501 -2.327 1.223 1.00 0.00 C ATOM 882 CD1 LEU A 60 -1.803 -2.561 -0.249 1.00 0.00 C ATOM 883 CD2 LEU A 60 -0.193 -1.567 1.387 1.00 0.00 C ATOM 0 H LEU A 60 -4.585 -2.815 3.296 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.798 -1.962 3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.583 -1.879 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.525 -0.506 1.684 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.398 -3.297 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.976 -3.102 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.717 -3.147 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.933 -1.602 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.613 -2.121 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.283 -0.583 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.030 -1.452 2.448 1.00 0.00 H new ATOM 895 N VAL A 61 -2.561 0.075 4.986 1.00 0.00 N ATOM 896 CA VAL A 61 -2.957 1.302 5.667 1.00 0.00 C ATOM 897 C VAL A 61 -2.028 2.455 5.307 1.00 0.00 C ATOM 898 O VAL A 61 -0.912 2.552 5.819 1.00 0.00 O ATOM 899 CB VAL A 61 -2.959 1.118 7.197 1.00 0.00 C ATOM 900 CG1 VAL A 61 -3.243 2.441 7.893 1.00 0.00 C ATOM 901 CG2 VAL A 61 -3.976 0.063 7.604 1.00 0.00 C ATOM 0 H VAL A 61 -1.671 -0.313 5.300 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.968 1.537 5.334 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.971 0.777 7.507 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.241 2.292 8.973 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.474 3.166 7.625 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.218 2.815 7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.964 -0.055 8.688 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.970 0.373 7.283 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.723 -0.887 7.133 1.00 0.00 H new ATOM 911 N PHE A 62 -2.495 3.329 4.421 1.00 0.00 N ATOM 912 CA PHE A 62 -1.706 4.478 3.991 1.00 0.00 C ATOM 913 C PHE A 62 -2.020 5.704 4.843 1.00 0.00 C ATOM 914 O PHE A 62 -3.163 6.158 4.901 1.00 0.00 O ATOM 915 CB PHE A 62 -1.976 4.785 2.517 1.00 0.00 C ATOM 916 CG PHE A 62 -1.523 3.697 1.585 1.00 0.00 C ATOM 917 CD1 PHE A 62 -0.176 3.520 1.309 1.00 0.00 C ATOM 918 CD2 PHE A 62 -2.442 2.852 0.985 1.00 0.00 C ATOM 919 CE1 PHE A 62 0.243 2.520 0.452 1.00 0.00 C ATOM 920 CE2 PHE A 62 -2.029 1.851 0.127 1.00 0.00 C ATOM 921 CZ PHE A 62 -0.684 1.684 -0.139 1.00 0.00 C ATOM 0 H PHE A 62 -3.416 3.263 3.987 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.652 4.231 4.117 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.045 4.950 2.378 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.473 5.714 2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.554 4.170 1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.495 2.977 1.191 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.295 2.392 0.244 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.757 1.200 -0.335 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.358 0.901 -0.808 1.00 0.00 H new ATOM 931 N HIS A 63 -0.997 6.235 5.505 1.00 0.00 N ATOM 932 CA HIS A 63 -1.162 7.409 6.354 1.00 0.00 C ATOM 933 C HIS A 63 -0.515 8.636 5.719 1.00 0.00 C ATOM 934 O HIS A 63 0.704 8.690 5.551 1.00 0.00 O ATOM 935 CB HIS A 63 -0.556 7.155 7.735 1.00 0.00 C ATOM 936 CG HIS A 63 -0.127 8.405 8.440 1.00 0.00 C ATOM 937 ND1 HIS A 63 1.169 8.629 8.853 1.00 0.00 N ATOM 938 CD2 HIS A 63 -0.831 9.502 8.803 1.00 0.00 C ATOM 939 CE1 HIS A 63 1.244 9.810 9.441 1.00 0.00 C ATOM 940 NE2 HIS A 63 0.043 10.360 9.424 1.00 0.00 N ATOM 0 H HIS A 63 -0.045 5.871 5.470 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.230 7.600 6.463 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -1.286 6.632 8.352 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.304 6.494 7.629 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -1.884 9.671 8.635 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.135 10.250 9.863 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.196 11.274 9.810 1.00 0.00 H new ATOM 949 N LEU A 64 -1.337 9.617 5.367 1.00 0.00 N ATOM 950 CA LEU A 64 -0.845 10.844 4.749 1.00 0.00 C ATOM 951 C LEU A 64 -0.639 11.936 5.794 1.00 0.00 C ATOM 952 O LEU A 64 -1.589 12.547 6.284 1.00 0.00 O ATOM 953 CB LEU A 64 -1.823 11.326 3.677 1.00 0.00 C ATOM 954 CG LEU A 64 -2.208 10.301 2.609 1.00 0.00 C ATOM 955 CD1 LEU A 64 -3.351 10.825 1.754 1.00 0.00 C ATOM 956 CD2 LEU A 64 -1.005 9.957 1.742 1.00 0.00 C ATOM 0 H LEU A 64 -2.348 9.588 5.499 1.00 0.00 H new ATOM 0 HA LEU A 64 0.116 10.627 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.733 11.666 4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.388 12.193 3.180 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.543 9.392 3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.611 10.082 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.218 11.020 2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.044 11.749 1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.297 9.226 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.640 10.859 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.215 9.539 2.365 1.00 0.00 H new ATOM 968 N PRO A 65 0.631 12.189 6.144 1.00 0.00 N ATOM 969 CA PRO A 65 0.991 13.210 7.132 1.00 0.00 C ATOM 970 C PRO A 65 0.747 14.625 6.619 1.00 0.00 C ATOM 971 O PRO A 65 0.132 14.818 5.570 1.00 0.00 O ATOM 972 CB PRO A 65 2.486 12.973 7.358 1.00 0.00 C ATOM 973 CG PRO A 65 2.962 12.329 6.101 1.00 0.00 C ATOM 974 CD PRO A 65 1.813 11.498 5.601 1.00 0.00 C ATOM 0 HA PRO A 65 0.391 13.130 8.038 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.011 13.909 7.547 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.659 12.331 8.222 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.252 13.078 5.364 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.839 11.710 6.288 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.790 11.458 4.512 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.876 10.470 5.957 1.00 0.00 H new ATOM 982 N VAL A 66 1.233 15.612 7.365 1.00 0.00 N ATOM 983 CA VAL A 66 1.069 17.010 6.984 1.00 0.00 C ATOM 984 C VAL A 66 2.199 17.466 6.068 1.00 0.00 C ATOM 985 O VAL A 66 2.013 18.342 5.225 1.00 0.00 O ATOM 986 CB VAL A 66 1.024 17.927 8.221 1.00 0.00 C ATOM 987 CG1 VAL A 66 -0.211 17.633 9.059 1.00 0.00 C ATOM 988 CG2 VAL A 66 2.291 17.767 9.049 1.00 0.00 C ATOM 0 H VAL A 66 1.743 15.469 8.237 1.00 0.00 H new ATOM 0 HA VAL A 66 0.121 17.084 6.451 1.00 0.00 H new ATOM 0 HB VAL A 66 0.966 18.962 7.883 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.226 18.290 9.928 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.106 17.803 8.460 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.188 16.595 9.390 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.242 18.422 9.919 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.382 16.732 9.379 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.157 18.032 8.443 1.00 0.00 H new ATOM 998 N ASN A 67 3.372 16.864 6.239 1.00 0.00 N ATOM 999 CA ASN A 67 4.533 17.209 5.427 1.00 0.00 C ATOM 1000 C ASN A 67 4.364 16.709 3.995 1.00 0.00 C ATOM 1001 O ASN A 67 4.646 17.429 3.037 1.00 0.00 O ATOM 1002 CB ASN A 67 5.804 16.616 6.039 1.00 0.00 C ATOM 1003 CG ASN A 67 6.355 17.468 7.165 1.00 0.00 C ATOM 1004 OD1 ASN A 67 6.954 18.518 6.928 1.00 0.00 O ATOM 1005 ND2 ASN A 67 6.155 17.020 8.399 1.00 0.00 N ATOM 0 H ASN A 67 3.543 16.136 6.932 1.00 0.00 H new ATOM 0 HA ASN A 67 4.620 18.295 5.406 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.590 15.616 6.415 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.562 16.510 5.263 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.503 17.551 9.197 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.653 16.145 8.549 1.00 0.00 H new ATOM 1012 N TYR A 68 3.901 15.471 3.858 1.00 0.00 N ATOM 1013 CA TYR A 68 3.695 14.874 2.544 1.00 0.00 C ATOM 1014 C TYR A 68 3.272 15.929 1.526 1.00 0.00 C ATOM 1015 O TYR A 68 2.574 16.892 1.844 1.00 0.00 O ATOM 1016 CB TYR A 68 2.637 13.772 2.621 1.00 0.00 C ATOM 1017 CG TYR A 68 1.987 13.461 1.292 1.00 0.00 C ATOM 1018 CD1 TYR A 68 1.170 14.391 0.662 1.00 0.00 C ATOM 1019 CD2 TYR A 68 2.192 12.238 0.666 1.00 0.00 C ATOM 1020 CE1 TYR A 68 0.573 14.111 -0.552 1.00 0.00 C ATOM 1021 CE2 TYR A 68 1.601 11.950 -0.550 1.00 0.00 C ATOM 1022 CZ TYR A 68 0.792 12.889 -1.154 1.00 0.00 C ATOM 1023 OH TYR A 68 0.201 12.607 -2.364 1.00 0.00 O ATOM 0 H TYR A 68 3.661 14.862 4.640 1.00 0.00 H new ATOM 0 HA TYR A 68 4.640 14.439 2.219 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.098 12.865 3.011 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.866 14.069 3.332 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.999 15.349 1.129 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.824 11.500 1.137 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.062 14.844 -1.027 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.772 10.995 -1.024 1.00 0.00 H new ATOM 0 HH TYR A 68 -0.021 11.653 -2.405 1.00 0.00 H new ATOM 1033 N PRO A 69 3.704 15.744 0.270 1.00 0.00 N ATOM 1034 CA PRO A 69 4.536 14.602 -0.121 1.00 0.00 C ATOM 1035 C PRO A 69 5.945 14.686 0.455 1.00 0.00 C ATOM 1036 O PRO A 69 6.786 13.826 0.193 1.00 0.00 O ATOM 1037 CB PRO A 69 4.576 14.698 -1.648 1.00 0.00 C ATOM 1038 CG PRO A 69 4.339 16.139 -1.943 1.00 0.00 C ATOM 1039 CD PRO A 69 3.415 16.635 -0.866 1.00 0.00 C ATOM 0 HA PRO A 69 4.134 13.659 0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.537 14.366 -2.041 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.811 14.069 -2.104 1.00 0.00 H new ATOM 0 HG2 PRO A 69 5.275 16.697 -1.941 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.893 16.267 -2.929 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.611 17.678 -0.618 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.371 16.570 -1.172 1.00 0.00 H new ATOM 1047 N SER A 70 6.196 15.728 1.242 1.00 0.00 N ATOM 1048 CA SER A 70 7.505 15.927 1.853 1.00 0.00 C ATOM 1049 C SER A 70 7.666 15.048 3.090 1.00 0.00 C ATOM 1050 O SER A 70 8.162 15.498 4.124 1.00 0.00 O ATOM 1051 CB SER A 70 7.698 17.397 2.229 1.00 0.00 C ATOM 1052 OG SER A 70 8.160 18.150 1.121 1.00 0.00 O ATOM 0 H SER A 70 5.510 16.447 1.471 1.00 0.00 H new ATOM 0 HA SER A 70 8.265 15.643 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.755 17.811 2.586 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.412 17.475 3.049 1.00 0.00 H new ATOM 0 HG SER A 70 8.274 19.086 1.387 1.00 0.00 H new ATOM 1058 N CYS A 71 7.244 13.794 2.976 1.00 0.00 N ATOM 1059 CA CYS A 71 7.339 12.851 4.084 1.00 0.00 C ATOM 1060 C CYS A 71 6.896 11.457 3.652 1.00 0.00 C ATOM 1061 O CYS A 71 6.071 11.308 2.750 1.00 0.00 O ATOM 1062 CB CYS A 71 6.488 13.328 5.262 1.00 0.00 C ATOM 1063 SG CYS A 71 6.595 12.273 6.726 1.00 0.00 S ATOM 0 H CYS A 71 6.832 13.407 2.127 1.00 0.00 H new ATOM 0 HA CYS A 71 8.382 12.800 4.396 1.00 0.00 H new ATOM 0 HB2 CYS A 71 6.795 14.338 5.532 1.00 0.00 H new ATOM 0 HB3 CYS A 71 5.447 13.386 4.944 1.00 0.00 H new ATOM 0 HG CYS A 71 5.843 12.760 7.668 1.00 0.00 H new ATOM 1069 N LEU A 72 7.450 10.439 4.301 1.00 0.00 N ATOM 1070 CA LEU A 72 7.113 9.055 3.983 1.00 0.00 C ATOM 1071 C LEU A 72 5.813 8.641 4.664 1.00 0.00 C ATOM 1072 O LEU A 72 5.664 8.737 5.883 1.00 0.00 O ATOM 1073 CB LEU A 72 8.247 8.122 4.413 1.00 0.00 C ATOM 1074 CG LEU A 72 9.455 8.060 3.478 1.00 0.00 C ATOM 1075 CD1 LEU A 72 9.043 7.549 2.106 1.00 0.00 C ATOM 1076 CD2 LEU A 72 10.113 9.428 3.364 1.00 0.00 C ATOM 0 H LEU A 72 8.134 10.545 5.050 1.00 0.00 H new ATOM 0 HA LEU A 72 6.977 8.979 2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 72 8.592 8.432 5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.842 7.115 4.519 1.00 0.00 H new ATOM 0 HG LEU A 72 10.180 7.364 3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.916 7.512 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.619 6.549 2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.298 8.219 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.971 9.364 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.395 10.145 2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.445 9.755 4.349 1.00 0.00 H new ATOM 1088 N PRO A 73 4.849 8.166 3.861 1.00 0.00 N ATOM 1089 CA PRO A 73 3.545 7.725 4.365 1.00 0.00 C ATOM 1090 C PRO A 73 3.642 6.435 5.174 1.00 0.00 C ATOM 1091 O PRO A 73 4.403 5.532 4.830 1.00 0.00 O ATOM 1092 CB PRO A 73 2.731 7.496 3.089 1.00 0.00 C ATOM 1093 CG PRO A 73 3.747 7.209 2.038 1.00 0.00 C ATOM 1094 CD PRO A 73 4.958 8.023 2.400 1.00 0.00 C ATOM 0 HA PRO A 73 3.103 8.454 5.044 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.037 6.664 3.206 1.00 0.00 H new ATOM 0 HB3 PRO A 73 2.137 8.374 2.836 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.986 6.146 2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.375 7.481 1.050 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.881 7.519 2.113 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.955 8.992 1.900 1.00 0.00 H new ATOM 1102 N GLY A 74 2.866 6.357 6.250 1.00 0.00 N ATOM 1103 CA GLY A 74 2.880 5.174 7.091 1.00 0.00 C ATOM 1104 C GLY A 74 2.158 4.003 6.455 1.00 0.00 C ATOM 1105 O GLY A 74 0.941 3.868 6.590 1.00 0.00 O ATOM 0 H GLY A 74 2.228 7.092 6.555 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.912 4.891 7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.415 5.407 8.049 1.00 0.00 H new ATOM 1109 N ILE A 75 2.907 3.155 5.758 1.00 0.00 N ATOM 1110 CA ILE A 75 2.330 1.991 5.099 1.00 0.00 C ATOM 1111 C ILE A 75 2.355 0.772 6.015 1.00 0.00 C ATOM 1112 O ILE A 75 3.307 0.568 6.768 1.00 0.00 O ATOM 1113 CB ILE A 75 3.078 1.654 3.795 1.00 0.00 C ATOM 1114 CG1 ILE A 75 3.031 2.843 2.833 1.00 0.00 C ATOM 1115 CG2 ILE A 75 2.478 0.416 3.145 1.00 0.00 C ATOM 1116 CD1 ILE A 75 4.067 2.772 1.733 1.00 0.00 C ATOM 0 H ILE A 75 3.915 3.253 5.635 1.00 0.00 H new ATOM 0 HA ILE A 75 1.297 2.243 4.861 1.00 0.00 H new ATOM 0 HB ILE A 75 4.121 1.445 4.035 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.039 2.898 2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.176 3.763 3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.017 0.191 2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.558 -0.429 3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.428 0.598 2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.975 3.647 1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.064 2.749 2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.910 1.869 1.143 1.00 0.00 H new ATOM 1128 N SER A 76 1.302 -0.036 5.944 1.00 0.00 N ATOM 1129 CA SER A 76 1.202 -1.235 6.768 1.00 0.00 C ATOM 1130 C SER A 76 0.827 -2.447 5.921 1.00 0.00 C ATOM 1131 O SER A 76 0.083 -2.331 4.947 1.00 0.00 O ATOM 1132 CB SER A 76 0.166 -1.033 7.876 1.00 0.00 C ATOM 1133 OG SER A 76 -1.142 -1.315 7.408 1.00 0.00 O ATOM 0 H SER A 76 0.506 0.118 5.325 1.00 0.00 H new ATOM 0 HA SER A 76 2.177 -1.417 7.220 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.401 -1.681 8.721 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.212 -0.006 8.239 1.00 0.00 H new ATOM 0 HG SER A 76 -1.287 -2.284 7.406 1.00 0.00 H new ATOM 1139 N ILE A 77 1.348 -3.610 6.300 1.00 0.00 N ATOM 1140 CA ILE A 77 1.068 -4.844 5.576 1.00 0.00 C ATOM 1141 C ILE A 77 0.782 -5.992 6.538 1.00 0.00 C ATOM 1142 O ILE A 77 1.647 -6.392 7.316 1.00 0.00 O ATOM 1143 CB ILE A 77 2.240 -5.237 4.659 1.00 0.00 C ATOM 1144 CG1 ILE A 77 2.499 -4.137 3.627 1.00 0.00 C ATOM 1145 CG2 ILE A 77 1.952 -6.561 3.968 1.00 0.00 C ATOM 1146 CD1 ILE A 77 1.396 -4.000 2.600 1.00 0.00 C ATOM 0 H ILE A 77 1.966 -3.723 7.104 1.00 0.00 H new ATOM 0 HA ILE A 77 0.186 -4.658 4.964 1.00 0.00 H new ATOM 0 HB ILE A 77 3.135 -5.356 5.269 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.622 -3.186 4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.438 -4.345 3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.790 -6.825 3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.812 -7.340 4.718 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.047 -6.469 3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.647 -3.202 1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.287 -4.938 2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.459 -3.761 3.102 1.00 0.00 H new ATOM 1158 N ASN A 78 -0.436 -6.519 6.477 1.00 0.00 N ATOM 1159 CA ASN A 78 -0.836 -7.623 7.342 1.00 0.00 C ATOM 1160 C ASN A 78 -1.987 -8.410 6.723 1.00 0.00 C ATOM 1161 O ASN A 78 -3.062 -7.865 6.473 1.00 0.00 O ATOM 1162 CB ASN A 78 -1.245 -7.097 8.719 1.00 0.00 C ATOM 1163 CG ASN A 78 -2.138 -5.874 8.629 1.00 0.00 C ATOM 1164 OD1 ASN A 78 -3.344 -5.954 8.865 1.00 0.00 O ATOM 1165 ND2 ASN A 78 -1.548 -4.735 8.286 1.00 0.00 N ATOM 0 H ASN A 78 -1.164 -6.199 5.838 1.00 0.00 H new ATOM 0 HA ASN A 78 0.018 -8.291 7.455 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.765 -7.884 9.266 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -0.351 -6.849 9.291 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -2.097 -3.879 8.209 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.545 -4.716 8.100 1.00 0.00 H new ATOM 1172 N SER A 79 -1.754 -9.696 6.479 1.00 0.00 N ATOM 1173 CA SER A 79 -2.770 -10.558 5.886 1.00 0.00 C ATOM 1174 C SER A 79 -3.000 -11.797 6.746 1.00 0.00 C ATOM 1175 O SER A 79 -2.057 -12.377 7.282 1.00 0.00 O ATOM 1176 CB SER A 79 -2.355 -10.973 4.473 1.00 0.00 C ATOM 1177 OG SER A 79 -3.012 -12.165 4.079 1.00 0.00 O ATOM 0 H SER A 79 -0.871 -10.164 6.683 1.00 0.00 H new ATOM 0 HA SER A 79 -3.703 -9.996 5.833 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.593 -10.174 3.771 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.276 -11.119 4.436 1.00 0.00 H new ATOM 0 HG SER A 79 -3.899 -11.947 3.723 1.00 0.00 H new ATOM 1183 N GLU A 80 -4.262 -12.195 6.873 1.00 0.00 N ATOM 1184 CA GLU A 80 -4.617 -13.365 7.668 1.00 0.00 C ATOM 1185 C GLU A 80 -3.726 -14.553 7.316 1.00 0.00 C ATOM 1186 O GLU A 80 -3.408 -15.378 8.172 1.00 0.00 O ATOM 1187 CB GLU A 80 -6.086 -13.732 7.449 1.00 0.00 C ATOM 1188 CG GLU A 80 -6.693 -14.525 8.594 1.00 0.00 C ATOM 1189 CD GLU A 80 -6.499 -13.850 9.938 1.00 0.00 C ATOM 1190 OE1 GLU A 80 -7.190 -12.844 10.202 1.00 0.00 O ATOM 1191 OE2 GLU A 80 -5.656 -14.327 10.726 1.00 0.00 O ATOM 0 H GLU A 80 -5.055 -11.725 6.436 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.465 -13.118 8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.662 -12.818 7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.174 -14.312 6.530 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.759 -14.662 8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.244 -15.518 8.622 1.00 0.00 H new ATOM 1198 N GLN A 81 -3.330 -14.633 6.050 1.00 0.00 N ATOM 1199 CA GLN A 81 -2.477 -15.720 5.584 1.00 0.00 C ATOM 1200 C GLN A 81 -1.012 -15.438 5.900 1.00 0.00 C ATOM 1201 O GLN A 81 -0.348 -16.227 6.573 1.00 0.00 O ATOM 1202 CB GLN A 81 -2.656 -15.927 4.079 1.00 0.00 C ATOM 1203 CG GLN A 81 -4.052 -16.384 3.689 1.00 0.00 C ATOM 1204 CD GLN A 81 -4.226 -17.886 3.797 1.00 0.00 C ATOM 1205 OE1 GLN A 81 -3.919 -18.486 4.828 1.00 0.00 O ATOM 1206 NE2 GLN A 81 -4.721 -18.504 2.731 1.00 0.00 N ATOM 0 H GLN A 81 -3.586 -13.959 5.329 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.773 -16.629 6.107 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.431 -14.994 3.563 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.932 -16.665 3.734 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.784 -15.890 4.329 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.260 -16.071 2.666 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.962 -17.968 1.897 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.860 -19.514 2.746 1.00 0.00 H new ATOM 1215 N LEU A 82 -0.514 -14.308 5.411 1.00 0.00 N ATOM 1216 CA LEU A 82 0.874 -13.921 5.641 1.00 0.00 C ATOM 1217 C LEU A 82 1.274 -14.169 7.092 1.00 0.00 C ATOM 1218 O LEU A 82 0.421 -14.352 7.961 1.00 0.00 O ATOM 1219 CB LEU A 82 1.078 -12.446 5.289 1.00 0.00 C ATOM 1220 CG LEU A 82 1.367 -12.141 3.819 1.00 0.00 C ATOM 1221 CD1 LEU A 82 1.221 -10.653 3.543 1.00 0.00 C ATOM 1222 CD2 LEU A 82 2.760 -12.622 3.438 1.00 0.00 C ATOM 0 H LEU A 82 -1.050 -13.644 4.853 1.00 0.00 H new ATOM 0 HA LEU A 82 1.508 -14.532 4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.185 -11.896 5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.903 -12.061 5.888 1.00 0.00 H new ATOM 0 HG LEU A 82 0.640 -12.676 3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.431 -10.456 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.204 -10.338 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.924 -10.097 4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.948 -12.397 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.501 -12.116 4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.829 -13.698 3.596 1.00 0.00 H new ATOM 1234 N THR A 83 2.579 -14.171 7.348 1.00 0.00 N ATOM 1235 CA THR A 83 3.093 -14.395 8.693 1.00 0.00 C ATOM 1236 C THR A 83 3.632 -13.104 9.298 1.00 0.00 C ATOM 1237 O THR A 83 4.010 -12.180 8.577 1.00 0.00 O ATOM 1238 CB THR A 83 4.211 -15.455 8.698 1.00 0.00 C ATOM 1239 OG1 THR A 83 5.265 -15.060 7.814 1.00 0.00 O ATOM 1240 CG2 THR A 83 3.670 -16.813 8.275 1.00 0.00 C ATOM 0 H THR A 83 3.299 -14.020 6.641 1.00 0.00 H new ATOM 0 HA THR A 83 2.258 -14.754 9.294 1.00 0.00 H new ATOM 0 HB THR A 83 4.600 -15.536 9.713 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.972 -15.738 7.824 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.477 -17.546 8.286 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.888 -17.125 8.967 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.257 -16.743 7.269 1.00 0.00 H new ATOM 1248 N ARG A 84 3.664 -13.046 10.625 1.00 0.00 N ATOM 1249 CA ARG A 84 4.156 -11.866 11.327 1.00 0.00 C ATOM 1250 C ARG A 84 5.506 -11.425 10.769 1.00 0.00 C ATOM 1251 O ARG A 84 5.775 -10.231 10.640 1.00 0.00 O ATOM 1252 CB ARG A 84 4.281 -12.153 12.825 1.00 0.00 C ATOM 1253 CG ARG A 84 4.187 -10.909 13.693 1.00 0.00 C ATOM 1254 CD ARG A 84 4.996 -11.059 14.971 1.00 0.00 C ATOM 1255 NE ARG A 84 5.243 -9.773 15.617 1.00 0.00 N ATOM 1256 CZ ARG A 84 4.381 -9.186 16.440 1.00 0.00 C ATOM 1257 NH1 ARG A 84 3.222 -9.768 16.715 1.00 0.00 N ATOM 1258 NH2 ARG A 84 4.677 -8.015 16.989 1.00 0.00 N ATOM 0 H ARG A 84 3.355 -13.802 11.236 1.00 0.00 H new ATOM 0 HA ARG A 84 3.439 -11.059 11.177 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.497 -12.851 13.119 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.235 -12.646 13.014 1.00 0.00 H new ATOM 0 HG2 ARG A 84 4.546 -10.045 13.133 1.00 0.00 H new ATOM 0 HG3 ARG A 84 3.144 -10.716 13.942 1.00 0.00 H new ATOM 0 HD2 ARG A 84 4.465 -11.715 15.661 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.948 -11.539 14.743 1.00 0.00 H new ATOM 0 HE ARG A 84 6.126 -9.299 15.426 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.991 -10.668 16.294 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.562 -9.316 17.347 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.568 -7.564 16.779 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.014 -7.566 17.621 1.00 0.00 H new ATOM 1272 N ALA A 85 6.350 -12.397 10.438 1.00 0.00 N ATOM 1273 CA ALA A 85 7.671 -12.109 9.893 1.00 0.00 C ATOM 1274 C ALA A 85 7.574 -11.613 8.454 1.00 0.00 C ATOM 1275 O ALA A 85 8.224 -10.638 8.079 1.00 0.00 O ATOM 1276 CB ALA A 85 8.554 -13.345 9.969 1.00 0.00 C ATOM 0 H ALA A 85 6.142 -13.391 10.538 1.00 0.00 H new ATOM 0 HA ALA A 85 8.121 -11.318 10.493 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.537 -13.115 9.559 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.658 -13.654 11.009 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.100 -14.152 9.394 1.00 0.00 H new ATOM 1282 N GLN A 86 6.758 -12.292 7.653 1.00 0.00 N ATOM 1283 CA GLN A 86 6.578 -11.920 6.254 1.00 0.00 C ATOM 1284 C GLN A 86 5.852 -10.584 6.135 1.00 0.00 C ATOM 1285 O GLN A 86 6.410 -9.605 5.638 1.00 0.00 O ATOM 1286 CB GLN A 86 5.798 -13.006 5.512 1.00 0.00 C ATOM 1287 CG GLN A 86 6.608 -14.265 5.248 1.00 0.00 C ATOM 1288 CD GLN A 86 5.818 -15.323 4.504 1.00 0.00 C ATOM 1289 OE1 GLN A 86 6.245 -15.813 3.458 1.00 0.00 O ATOM 1290 NE2 GLN A 86 4.657 -15.681 5.040 1.00 0.00 N ATOM 0 H GLN A 86 6.212 -13.101 7.948 1.00 0.00 H new ATOM 0 HA GLN A 86 7.564 -11.818 5.801 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.914 -13.268 6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.447 -12.604 4.562 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.495 -14.007 4.670 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.954 -14.675 6.197 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.341 -15.249 5.908 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.081 -16.388 4.583 1.00 0.00 H new ATOM 1299 N CYS A 87 4.606 -10.551 6.594 1.00 0.00 N ATOM 1300 CA CYS A 87 3.802 -9.335 6.538 1.00 0.00 C ATOM 1301 C CYS A 87 4.665 -8.101 6.782 1.00 0.00 C ATOM 1302 O CYS A 87 4.381 -7.020 6.267 1.00 0.00 O ATOM 1303 CB CYS A 87 2.675 -9.396 7.569 1.00 0.00 C ATOM 1304 SG CYS A 87 3.236 -9.287 9.284 1.00 0.00 S ATOM 0 H CYS A 87 4.130 -11.352 7.009 1.00 0.00 H new ATOM 0 HA CYS A 87 3.368 -9.261 5.541 1.00 0.00 H new ATOM 0 HB2 CYS A 87 1.975 -8.583 7.375 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.126 -10.328 7.436 1.00 0.00 H new ATOM 0 HG CYS A 87 4.464 -9.705 9.366 1.00 0.00 H new ATOM 1310 N VAL A 88 5.720 -8.271 7.573 1.00 0.00 N ATOM 1311 CA VAL A 88 6.625 -7.171 7.886 1.00 0.00 C ATOM 1312 C VAL A 88 7.601 -6.919 6.743 1.00 0.00 C ATOM 1313 O VAL A 88 7.706 -5.802 6.235 1.00 0.00 O ATOM 1314 CB VAL A 88 7.422 -7.450 9.175 1.00 0.00 C ATOM 1315 CG1 VAL A 88 8.430 -6.340 9.430 1.00 0.00 C ATOM 1316 CG2 VAL A 88 6.481 -7.610 10.359 1.00 0.00 C ATOM 0 H VAL A 88 5.969 -9.159 8.008 1.00 0.00 H new ATOM 0 HA VAL A 88 6.007 -6.285 8.033 1.00 0.00 H new ATOM 0 HB VAL A 88 7.970 -8.383 9.048 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.983 -6.554 10.344 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.124 -6.279 8.592 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.906 -5.390 9.537 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.061 -7.806 11.261 1.00 0.00 H new ATOM 0 HG22 VAL A 88 5.904 -6.695 10.491 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.803 -8.443 10.175 1.00 0.00 H new ATOM 1326 N THR A 89 8.315 -7.966 6.339 1.00 0.00 N ATOM 1327 CA THR A 89 9.283 -7.859 5.256 1.00 0.00 C ATOM 1328 C THR A 89 8.691 -7.121 4.060 1.00 0.00 C ATOM 1329 O THR A 89 9.357 -6.295 3.436 1.00 0.00 O ATOM 1330 CB THR A 89 9.770 -9.246 4.798 1.00 0.00 C ATOM 1331 OG1 THR A 89 10.411 -9.923 5.885 1.00 0.00 O ATOM 1332 CG2 THR A 89 10.737 -9.123 3.630 1.00 0.00 C ATOM 0 H THR A 89 8.240 -8.898 6.747 1.00 0.00 H new ATOM 0 HA THR A 89 10.131 -7.295 5.645 1.00 0.00 H new ATOM 0 HB THR A 89 8.903 -9.821 4.472 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.739 -10.189 6.547 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.067 -10.116 3.325 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.237 -8.634 2.794 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.601 -8.531 3.933 1.00 0.00 H new ATOM 1340 N VAL A 90 7.436 -7.424 3.746 1.00 0.00 N ATOM 1341 CA VAL A 90 6.753 -6.788 2.626 1.00 0.00 C ATOM 1342 C VAL A 90 6.628 -5.284 2.840 1.00 0.00 C ATOM 1343 O VAL A 90 7.039 -4.488 1.995 1.00 0.00 O ATOM 1344 CB VAL A 90 5.348 -7.383 2.414 1.00 0.00 C ATOM 1345 CG1 VAL A 90 4.654 -6.709 1.240 1.00 0.00 C ATOM 1346 CG2 VAL A 90 5.434 -8.887 2.201 1.00 0.00 C ATOM 0 H VAL A 90 6.871 -8.106 4.252 1.00 0.00 H new ATOM 0 HA VAL A 90 7.358 -6.977 1.739 1.00 0.00 H new ATOM 0 HB VAL A 90 4.755 -7.199 3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.663 -7.142 1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.559 -5.641 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.242 -6.860 0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.433 -9.291 2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.043 -9.096 1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.888 -9.353 3.076 1.00 0.00 H new ATOM 1356 N LYS A 91 6.060 -4.899 3.978 1.00 0.00 N ATOM 1357 CA LYS A 91 5.882 -3.490 4.307 1.00 0.00 C ATOM 1358 C LYS A 91 7.207 -2.739 4.216 1.00 0.00 C ATOM 1359 O LYS A 91 7.281 -1.663 3.624 1.00 0.00 O ATOM 1360 CB LYS A 91 5.295 -3.343 5.712 1.00 0.00 C ATOM 1361 CG LYS A 91 5.322 -1.918 6.237 1.00 0.00 C ATOM 1362 CD LYS A 91 6.603 -1.629 7.002 1.00 0.00 C ATOM 1363 CE LYS A 91 6.631 -0.200 7.522 1.00 0.00 C ATOM 1364 NZ LYS A 91 8.013 0.238 7.864 1.00 0.00 N ATOM 0 H LYS A 91 5.715 -5.544 4.689 1.00 0.00 H new ATOM 0 HA LYS A 91 5.189 -3.058 3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.265 -3.699 5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.850 -3.984 6.397 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.229 -1.221 5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.463 -1.753 6.888 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.694 -2.323 7.837 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.462 -1.798 6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.214 0.469 6.769 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.996 -0.122 8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.990 1.217 8.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.402 -0.385 8.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.613 0.188 7.016 1.00 0.00 H new ATOM 1378 N GLU A 92 8.249 -3.314 4.807 1.00 0.00 N ATOM 1379 CA GLU A 92 9.571 -2.698 4.791 1.00 0.00 C ATOM 1380 C GLU A 92 9.961 -2.282 3.376 1.00 0.00 C ATOM 1381 O GLU A 92 10.430 -1.166 3.151 1.00 0.00 O ATOM 1382 CB GLU A 92 10.615 -3.663 5.357 1.00 0.00 C ATOM 1383 CG GLU A 92 10.353 -4.067 6.798 1.00 0.00 C ATOM 1384 CD GLU A 92 10.988 -3.117 7.795 1.00 0.00 C ATOM 1385 OE1 GLU A 92 10.400 -2.046 8.052 1.00 0.00 O ATOM 1386 OE2 GLU A 92 12.074 -3.446 8.317 1.00 0.00 O ATOM 0 H GLU A 92 8.204 -4.204 5.302 1.00 0.00 H new ATOM 0 HA GLU A 92 9.535 -1.806 5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.643 -4.559 4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.599 -3.199 5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.277 -4.104 6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.737 -5.073 6.965 1.00 0.00 H new ATOM 1393 N LYS A 93 9.764 -3.188 2.424 1.00 0.00 N ATOM 1394 CA LYS A 93 10.094 -2.918 1.030 1.00 0.00 C ATOM 1395 C LYS A 93 9.312 -1.716 0.509 1.00 0.00 C ATOM 1396 O LYS A 93 9.895 -0.740 0.037 1.00 0.00 O ATOM 1397 CB LYS A 93 9.797 -4.146 0.166 1.00 0.00 C ATOM 1398 CG LYS A 93 10.729 -5.316 0.433 1.00 0.00 C ATOM 1399 CD LYS A 93 12.163 -4.983 0.058 1.00 0.00 C ATOM 1400 CE LYS A 93 13.072 -6.194 0.204 1.00 0.00 C ATOM 1401 NZ LYS A 93 14.341 -6.030 -0.558 1.00 0.00 N ATOM 0 H LYS A 93 9.377 -4.116 2.593 1.00 0.00 H new ATOM 0 HA LYS A 93 11.158 -2.690 0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.769 -4.463 0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.870 -3.867 -0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.681 -5.587 1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.396 -6.185 -0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.197 -4.623 -0.970 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.528 -4.174 0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.299 -6.352 1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.550 -7.084 -0.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.933 -6.876 -0.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.126 -5.904 -1.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.852 -5.195 -0.206 1.00 0.00 H new ATOM 1415 N LEU A 94 7.988 -1.794 0.599 1.00 0.00 N ATOM 1416 CA LEU A 94 7.126 -0.712 0.138 1.00 0.00 C ATOM 1417 C LEU A 94 7.727 0.648 0.479 1.00 0.00 C ATOM 1418 O LEU A 94 7.906 1.497 -0.395 1.00 0.00 O ATOM 1419 CB LEU A 94 5.736 -0.839 0.764 1.00 0.00 C ATOM 1420 CG LEU A 94 4.721 -1.674 -0.018 1.00 0.00 C ATOM 1421 CD1 LEU A 94 4.892 -3.152 0.295 1.00 0.00 C ATOM 1422 CD2 LEU A 94 3.303 -1.220 0.296 1.00 0.00 C ATOM 0 H LEU A 94 7.489 -2.595 0.987 1.00 0.00 H new ATOM 0 HA LEU A 94 7.039 -0.788 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.845 -1.274 1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.327 0.162 0.897 1.00 0.00 H new ATOM 0 HG LEU A 94 4.901 -1.527 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.161 -3.731 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.898 -3.468 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.740 -3.318 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.594 -1.825 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.111 -1.337 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.187 -0.172 0.020 1.00 0.00 H new ATOM 1434 N LEU A 95 8.041 0.846 1.755 1.00 0.00 N ATOM 1435 CA LEU A 95 8.625 2.102 2.213 1.00 0.00 C ATOM 1436 C LEU A 95 9.848 2.470 1.378 1.00 0.00 C ATOM 1437 O LEU A 95 9.887 3.528 0.751 1.00 0.00 O ATOM 1438 CB LEU A 95 9.014 1.998 3.689 1.00 0.00 C ATOM 1439 CG LEU A 95 7.890 2.238 4.697 1.00 0.00 C ATOM 1440 CD1 LEU A 95 7.351 3.654 4.568 1.00 0.00 C ATOM 1441 CD2 LEU A 95 6.775 1.221 4.505 1.00 0.00 C ATOM 0 H LEU A 95 7.901 0.153 2.490 1.00 0.00 H new ATOM 0 HA LEU A 95 7.877 2.886 2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.428 1.005 3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.811 2.715 3.886 1.00 0.00 H new ATOM 0 HG LEU A 95 8.296 2.116 5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.552 3.807 5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.153 4.367 4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.961 3.805 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.984 1.407 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.371 1.310 3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.171 0.216 4.649 1.00 0.00 H new ATOM 1453 N GLU A 96 10.843 1.588 1.374 1.00 0.00 N ATOM 1454 CA GLU A 96 12.065 1.820 0.614 1.00 0.00 C ATOM 1455 C GLU A 96 11.750 2.404 -0.760 1.00 0.00 C ATOM 1456 O GLU A 96 12.484 3.250 -1.269 1.00 0.00 O ATOM 1457 CB GLU A 96 12.851 0.516 0.458 1.00 0.00 C ATOM 1458 CG GLU A 96 13.845 0.267 1.580 1.00 0.00 C ATOM 1459 CD GLU A 96 14.929 1.325 1.646 1.00 0.00 C ATOM 1460 OE1 GLU A 96 15.522 1.632 0.590 1.00 0.00 O ATOM 1461 OE2 GLU A 96 15.184 1.846 2.751 1.00 0.00 O ATOM 0 H GLU A 96 10.826 0.707 1.888 1.00 0.00 H new ATOM 0 HA GLU A 96 12.673 2.539 1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.150 -0.318 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 96 13.385 0.535 -0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.313 0.237 2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 96 14.306 -0.711 1.442 1.00 0.00 H new ATOM 1468 N GLN A 97 10.653 1.945 -1.353 1.00 0.00 N ATOM 1469 CA GLN A 97 10.240 2.421 -2.669 1.00 0.00 C ATOM 1470 C GLN A 97 9.696 3.843 -2.587 1.00 0.00 C ATOM 1471 O GLN A 97 10.101 4.718 -3.352 1.00 0.00 O ATOM 1472 CB GLN A 97 9.182 1.490 -3.262 1.00 0.00 C ATOM 1473 CG GLN A 97 9.767 0.296 -3.999 1.00 0.00 C ATOM 1474 CD GLN A 97 10.712 0.702 -5.112 1.00 0.00 C ATOM 1475 OE1 GLN A 97 11.902 0.921 -4.882 1.00 0.00 O ATOM 1476 NE2 GLN A 97 10.187 0.807 -6.327 1.00 0.00 N ATOM 0 H GLN A 97 10.034 1.245 -0.944 1.00 0.00 H new ATOM 0 HA GLN A 97 11.116 2.424 -3.318 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.536 1.131 -2.461 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.554 2.058 -3.948 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.299 -0.339 -3.290 1.00 0.00 H new ATOM 0 HG3 GLN A 97 8.956 -0.301 -4.416 1.00 0.00 H new ATOM 0 HE21 GLN A 97 9.196 0.616 -6.472 1.00 0.00 H new ATOM 0 HE22 GLN A 97 10.775 1.078 -7.115 1.00 0.00 H new ATOM 1485 N ALA A 98 8.774 4.066 -1.656 1.00 0.00 N ATOM 1486 CA ALA A 98 8.175 5.382 -1.473 1.00 0.00 C ATOM 1487 C ALA A 98 9.191 6.489 -1.734 1.00 0.00 C ATOM 1488 O ALA A 98 8.972 7.359 -2.576 1.00 0.00 O ATOM 1489 CB ALA A 98 7.600 5.510 -0.071 1.00 0.00 C ATOM 0 H ALA A 98 8.426 3.352 -1.017 1.00 0.00 H new ATOM 0 HA ALA A 98 7.366 5.489 -2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.156 6.498 0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.836 4.747 0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.396 5.376 0.662 1.00 0.00 H new ATOM 1495 N GLU A 99 10.302 6.449 -1.005 1.00 0.00 N ATOM 1496 CA GLU A 99 11.351 7.451 -1.158 1.00 0.00 C ATOM 1497 C GLU A 99 11.528 7.834 -2.624 1.00 0.00 C ATOM 1498 O GLU A 99 11.289 8.978 -3.011 1.00 0.00 O ATOM 1499 CB GLU A 99 12.673 6.927 -0.593 1.00 0.00 C ATOM 1500 CG GLU A 99 12.877 7.250 0.878 1.00 0.00 C ATOM 1501 CD GLU A 99 13.545 8.595 1.093 1.00 0.00 C ATOM 1502 OE1 GLU A 99 14.696 8.764 0.637 1.00 0.00 O ATOM 1503 OE2 GLU A 99 12.918 9.477 1.715 1.00 0.00 O ATOM 0 H GLU A 99 10.499 5.735 -0.304 1.00 0.00 H new ATOM 0 HA GLU A 99 11.053 8.340 -0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.713 5.846 -0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.497 7.351 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.912 7.243 1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 99 13.484 6.470 1.337 1.00 0.00 H new ATOM 1510 N SER A 100 11.950 6.869 -3.435 1.00 0.00 N ATOM 1511 CA SER A 100 12.164 7.106 -4.858 1.00 0.00 C ATOM 1512 C SER A 100 10.936 7.752 -5.492 1.00 0.00 C ATOM 1513 O SER A 100 11.054 8.637 -6.341 1.00 0.00 O ATOM 1514 CB SER A 100 12.489 5.792 -5.572 1.00 0.00 C ATOM 1515 OG SER A 100 12.390 5.938 -6.978 1.00 0.00 O ATOM 0 H SER A 100 12.150 5.916 -3.131 1.00 0.00 H new ATOM 0 HA SER A 100 13.008 7.788 -4.965 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.496 5.470 -5.307 1.00 0.00 H new ATOM 0 HB3 SER A 100 11.806 5.013 -5.235 1.00 0.00 H new ATOM 0 HG SER A 100 12.604 5.085 -7.411 1.00 0.00 H new ATOM 1521 N LEU A 101 9.758 7.304 -5.074 1.00 0.00 N ATOM 1522 CA LEU A 101 8.506 7.838 -5.600 1.00 0.00 C ATOM 1523 C LEU A 101 8.020 9.014 -4.759 1.00 0.00 C ATOM 1524 O LEU A 101 6.824 9.150 -4.495 1.00 0.00 O ATOM 1525 CB LEU A 101 7.437 6.745 -5.635 1.00 0.00 C ATOM 1526 CG LEU A 101 7.500 5.782 -6.821 1.00 0.00 C ATOM 1527 CD1 LEU A 101 6.861 4.450 -6.462 1.00 0.00 C ATOM 1528 CD2 LEU A 101 6.819 6.391 -8.038 1.00 0.00 C ATOM 0 H LEU A 101 9.643 6.572 -4.373 1.00 0.00 H new ATOM 0 HA LEU A 101 8.688 8.192 -6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.511 6.163 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.457 7.223 -5.632 1.00 0.00 H new ATOM 0 HG LEU A 101 8.547 5.605 -7.065 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.915 3.778 -7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.392 4.007 -5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.817 4.609 -6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.873 5.692 -8.873 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.774 6.598 -7.805 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.321 7.320 -8.309 1.00 0.00 H new ATOM 1540 N LEU A 102 8.953 9.862 -4.342 1.00 0.00 N ATOM 1541 CA LEU A 102 8.619 11.029 -3.532 1.00 0.00 C ATOM 1542 C LEU A 102 7.991 12.124 -4.388 1.00 0.00 C ATOM 1543 O LEU A 102 7.892 11.993 -5.608 1.00 0.00 O ATOM 1544 CB LEU A 102 9.871 11.566 -2.836 1.00 0.00 C ATOM 1545 CG LEU A 102 10.175 10.981 -1.456 1.00 0.00 C ATOM 1546 CD1 LEU A 102 11.638 11.190 -1.097 1.00 0.00 C ATOM 1547 CD2 LEU A 102 9.271 11.605 -0.402 1.00 0.00 C ATOM 0 H LEU A 102 9.947 9.764 -4.551 1.00 0.00 H new ATOM 0 HA LEU A 102 7.894 10.722 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.729 11.383 -3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 102 9.772 12.647 -2.736 1.00 0.00 H new ATOM 0 HG LEU A 102 9.980 9.909 -1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.835 10.767 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.268 10.696 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.861 12.257 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.501 11.177 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.435 12.682 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.229 11.403 -0.650 1.00 0.00 H new ATOM 1559 N SER A 103 7.569 13.206 -3.740 1.00 0.00 N ATOM 1560 CA SER A 103 6.948 14.323 -4.441 1.00 0.00 C ATOM 1561 C SER A 103 5.942 13.825 -5.474 1.00 0.00 C ATOM 1562 O SER A 103 5.674 14.497 -6.469 1.00 0.00 O ATOM 1563 CB SER A 103 8.016 15.180 -5.125 1.00 0.00 C ATOM 1564 OG SER A 103 7.470 16.405 -5.583 1.00 0.00 O ATOM 0 H SER A 103 7.646 13.332 -2.731 1.00 0.00 H new ATOM 0 HA SER A 103 6.418 14.931 -3.707 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.829 15.379 -4.427 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.444 14.632 -5.965 1.00 0.00 H new ATOM 0 HG SER A 103 6.621 16.234 -6.042 1.00 0.00 H new ATOM 1570 N GLU A 104 5.388 12.642 -5.228 1.00 0.00 N ATOM 1571 CA GLU A 104 4.411 12.053 -6.137 1.00 0.00 C ATOM 1572 C GLU A 104 3.471 11.111 -5.390 1.00 0.00 C ATOM 1573 O GLU A 104 3.760 10.655 -4.283 1.00 0.00 O ATOM 1574 CB GLU A 104 5.120 11.297 -7.262 1.00 0.00 C ATOM 1575 CG GLU A 104 5.413 12.154 -8.482 1.00 0.00 C ATOM 1576 CD GLU A 104 6.385 11.493 -9.440 1.00 0.00 C ATOM 1577 OE1 GLU A 104 7.145 10.607 -8.997 1.00 0.00 O ATOM 1578 OE2 GLU A 104 6.385 11.862 -10.633 1.00 0.00 O ATOM 0 H GLU A 104 5.599 12.073 -4.408 1.00 0.00 H new ATOM 0 HA GLU A 104 3.820 12.861 -6.568 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.057 10.890 -6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.504 10.450 -7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.480 12.366 -9.005 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.822 13.112 -8.159 1.00 0.00 H new ATOM 1585 N PRO A 105 2.319 10.814 -6.008 1.00 0.00 N ATOM 1586 CA PRO A 105 1.312 9.924 -5.420 1.00 0.00 C ATOM 1587 C PRO A 105 1.777 8.473 -5.375 1.00 0.00 C ATOM 1588 O PRO A 105 1.663 7.744 -6.360 1.00 0.00 O ATOM 1589 CB PRO A 105 0.114 10.073 -6.361 1.00 0.00 C ATOM 1590 CG PRO A 105 0.706 10.485 -7.665 1.00 0.00 C ATOM 1591 CD PRO A 105 1.909 11.322 -7.328 1.00 0.00 C ATOM 0 HA PRO A 105 1.093 10.184 -4.384 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.435 9.136 -6.454 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.589 10.820 -5.992 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.990 9.615 -8.257 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -0.011 11.053 -8.257 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.701 11.204 -8.068 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.663 12.383 -7.291 1.00 0.00 H new ATOM 1599 N MET A 106 2.300 8.059 -4.226 1.00 0.00 N ATOM 1600 CA MET A 106 2.781 6.693 -4.053 1.00 0.00 C ATOM 1601 C MET A 106 1.671 5.789 -3.525 1.00 0.00 C ATOM 1602 O MET A 106 1.635 4.595 -3.823 1.00 0.00 O ATOM 1603 CB MET A 106 3.974 6.666 -3.096 1.00 0.00 C ATOM 1604 CG MET A 106 3.682 7.292 -1.742 1.00 0.00 C ATOM 1605 SD MET A 106 4.068 9.053 -1.693 1.00 0.00 S ATOM 1606 CE MET A 106 5.848 9.003 -1.499 1.00 0.00 C ATOM 0 H MET A 106 2.402 8.650 -3.401 1.00 0.00 H new ATOM 0 HA MET A 106 3.098 6.320 -5.027 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.288 5.633 -2.949 1.00 0.00 H new ATOM 0 HB3 MET A 106 4.811 7.191 -3.557 1.00 0.00 H new ATOM 0 HG2 MET A 106 2.629 7.148 -1.499 1.00 0.00 H new ATOM 0 HG3 MET A 106 4.260 6.776 -0.975 1.00 0.00 H new ATOM 0 HE1 MET A 106 6.255 10.008 -1.612 1.00 0.00 H new ATOM 0 HE2 MET A 106 6.095 8.621 -0.509 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.278 8.350 -2.258 1.00 0.00 H new ATOM 1616 N VAL A 107 0.767 6.366 -2.741 1.00 0.00 N ATOM 1617 CA VAL A 107 -0.345 5.613 -2.172 1.00 0.00 C ATOM 1618 C VAL A 107 -0.943 4.657 -3.199 1.00 0.00 C ATOM 1619 O VAL A 107 -1.119 3.469 -2.929 1.00 0.00 O ATOM 1620 CB VAL A 107 -1.451 6.550 -1.654 1.00 0.00 C ATOM 1621 CG1 VAL A 107 -2.711 5.761 -1.329 1.00 0.00 C ATOM 1622 CG2 VAL A 107 -0.967 7.322 -0.436 1.00 0.00 C ATOM 0 H VAL A 107 0.782 7.353 -2.485 1.00 0.00 H new ATOM 0 HA VAL A 107 0.055 5.040 -1.336 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.693 7.267 -2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.482 6.440 -0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.067 5.257 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.488 5.020 -0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.761 7.980 -0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.697 6.622 0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.095 7.918 -0.706 1.00 0.00 H new ATOM 1632 N HIS A 108 -1.254 5.185 -4.379 1.00 0.00 N ATOM 1633 CA HIS A 108 -1.832 4.378 -5.448 1.00 0.00 C ATOM 1634 C HIS A 108 -0.777 3.471 -6.075 1.00 0.00 C ATOM 1635 O HIS A 108 -0.874 2.247 -5.998 1.00 0.00 O ATOM 1636 CB HIS A 108 -2.448 5.279 -6.519 1.00 0.00 C ATOM 1637 CG HIS A 108 -2.963 4.529 -7.709 1.00 0.00 C ATOM 1638 ND1 HIS A 108 -2.545 4.784 -8.998 1.00 0.00 N ATOM 1639 CD2 HIS A 108 -3.866 3.525 -7.799 1.00 0.00 C ATOM 1640 CE1 HIS A 108 -3.170 3.970 -9.830 1.00 0.00 C ATOM 1641 NE2 HIS A 108 -3.977 3.195 -9.128 1.00 0.00 N ATOM 0 H HIS A 108 -1.116 6.167 -4.619 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.613 3.753 -5.016 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -3.266 5.848 -6.077 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -1.700 6.000 -6.850 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -1.860 5.491 -9.267 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -4.400 3.068 -6.979 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.043 3.943 -10.902 1.00 0.00 H new ATOM 1650 N GLU A 109 0.227 4.081 -6.696 1.00 0.00 N ATOM 1651 CA GLU A 109 1.298 3.327 -7.338 1.00 0.00 C ATOM 1652 C GLU A 109 1.719 2.140 -6.477 1.00 0.00 C ATOM 1653 O GLU A 109 1.584 0.985 -6.883 1.00 0.00 O ATOM 1654 CB GLU A 109 2.503 4.233 -7.601 1.00 0.00 C ATOM 1655 CG GLU A 109 2.416 4.995 -8.913 1.00 0.00 C ATOM 1656 CD GLU A 109 2.019 4.109 -10.077 1.00 0.00 C ATOM 1657 OE1 GLU A 109 2.563 2.990 -10.185 1.00 0.00 O ATOM 1658 OE2 GLU A 109 1.163 4.535 -10.881 1.00 0.00 O ATOM 0 H GLU A 109 0.322 5.094 -6.768 1.00 0.00 H new ATOM 0 HA GLU A 109 0.922 2.949 -8.289 1.00 0.00 H new ATOM 0 HB2 GLU A 109 2.597 4.946 -6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.409 3.627 -7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.691 5.803 -8.812 1.00 0.00 H new ATOM 0 HG3 GLU A 109 3.380 5.457 -9.125 1.00 0.00 H new ATOM 1665 N LEU A 110 2.231 2.432 -5.286 1.00 0.00 N ATOM 1666 CA LEU A 110 2.673 1.390 -4.366 1.00 0.00 C ATOM 1667 C LEU A 110 1.770 0.164 -4.458 1.00 0.00 C ATOM 1668 O LEU A 110 2.239 -0.950 -4.688 1.00 0.00 O ATOM 1669 CB LEU A 110 2.687 1.921 -2.932 1.00 0.00 C ATOM 1670 CG LEU A 110 3.694 3.033 -2.637 1.00 0.00 C ATOM 1671 CD1 LEU A 110 3.250 3.851 -1.435 1.00 0.00 C ATOM 1672 CD2 LEU A 110 5.080 2.449 -2.405 1.00 0.00 C ATOM 0 H LEU A 110 2.350 3.382 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 110 3.684 1.096 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.689 2.289 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.889 1.088 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 110 3.740 3.694 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.979 4.637 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.278 4.300 -1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.174 3.203 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.784 3.255 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.049 1.765 -1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.401 1.908 -3.295 1.00 0.00 H new ATOM 1684 N VAL A 111 0.470 0.378 -4.278 1.00 0.00 N ATOM 1685 CA VAL A 111 -0.500 -0.709 -4.344 1.00 0.00 C ATOM 1686 C VAL A 111 -0.270 -1.577 -5.576 1.00 0.00 C ATOM 1687 O VAL A 111 -0.103 -2.793 -5.470 1.00 0.00 O ATOM 1688 CB VAL A 111 -1.943 -0.172 -4.369 1.00 0.00 C ATOM 1689 CG1 VAL A 111 -2.925 -1.294 -4.672 1.00 0.00 C ATOM 1690 CG2 VAL A 111 -2.283 0.503 -3.049 1.00 0.00 C ATOM 0 H VAL A 111 0.065 1.294 -4.085 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.361 -1.313 -3.447 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.022 0.572 -5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.940 -0.896 -4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.693 -1.728 -5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.847 -2.063 -3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.306 0.877 -3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.188 -0.218 -2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.599 1.334 -2.879 1.00 0.00 H new ATOM 1700 N LEU A 112 -0.262 -0.945 -6.744 1.00 0.00 N ATOM 1701 CA LEU A 112 -0.052 -1.659 -7.999 1.00 0.00 C ATOM 1702 C LEU A 112 1.319 -2.327 -8.022 1.00 0.00 C ATOM 1703 O LEU A 112 1.446 -3.492 -8.398 1.00 0.00 O ATOM 1704 CB LEU A 112 -0.185 -0.700 -9.183 1.00 0.00 C ATOM 1705 CG LEU A 112 -1.539 -0.006 -9.336 1.00 0.00 C ATOM 1706 CD1 LEU A 112 -1.460 1.095 -10.382 1.00 0.00 C ATOM 1707 CD2 LEU A 112 -2.617 -1.015 -9.702 1.00 0.00 C ATOM 0 H LEU A 112 -0.398 0.060 -6.849 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.815 -2.434 -8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.585 0.066 -9.093 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.022 -1.254 -10.099 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.803 0.447 -8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.433 1.577 -10.477 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.717 1.833 -10.078 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.173 0.665 -11.342 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.574 -0.503 -9.807 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.359 -1.498 -10.644 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.692 -1.768 -8.917 1.00 0.00 H new ATOM 1719 N TRP A 113 2.341 -1.582 -7.617 1.00 0.00 N ATOM 1720 CA TRP A 113 3.703 -2.103 -7.590 1.00 0.00 C ATOM 1721 C TRP A 113 3.771 -3.407 -6.801 1.00 0.00 C ATOM 1722 O TRP A 113 4.275 -4.415 -7.296 1.00 0.00 O ATOM 1723 CB TRP A 113 4.653 -1.072 -6.978 1.00 0.00 C ATOM 1724 CG TRP A 113 6.027 -1.612 -6.717 1.00 0.00 C ATOM 1725 CD1 TRP A 113 7.027 -1.782 -7.631 1.00 0.00 C ATOM 1726 CD2 TRP A 113 6.550 -2.053 -5.460 1.00 0.00 C ATOM 1727 NE1 TRP A 113 8.141 -2.303 -7.018 1.00 0.00 N ATOM 1728 CE2 TRP A 113 7.874 -2.477 -5.686 1.00 0.00 C ATOM 1729 CE3 TRP A 113 6.030 -2.130 -4.165 1.00 0.00 C ATOM 1730 CZ2 TRP A 113 8.681 -2.971 -4.664 1.00 0.00 C ATOM 1731 CZ3 TRP A 113 6.832 -2.620 -3.153 1.00 0.00 C ATOM 1732 CH2 TRP A 113 8.146 -3.035 -3.406 1.00 0.00 C ATOM 0 H TRP A 113 2.253 -0.616 -7.303 1.00 0.00 H new ATOM 0 HA TRP A 113 4.009 -2.305 -8.616 1.00 0.00 H new ATOM 0 HB2 TRP A 113 4.728 -0.215 -7.648 1.00 0.00 H new ATOM 0 HB3 TRP A 113 4.229 -0.709 -6.042 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.953 -1.542 -8.681 1.00 0.00 H new ATOM 0 HE1 TRP A 113 9.023 -2.524 -7.480 1.00 0.00 H new ATOM 0 HE3 TRP A 113 5.019 -1.812 -3.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 9.694 -3.292 -4.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 6.439 -2.684 -2.149 1.00 0.00 H new ATOM 0 HH2 TRP A 113 8.748 -3.413 -2.593 1.00 0.00 H new ATOM 1743 N ILE A 114 3.261 -3.379 -5.575 1.00 0.00 N ATOM 1744 CA ILE A 114 3.263 -4.559 -4.720 1.00 0.00 C ATOM 1745 C ILE A 114 2.308 -5.623 -5.250 1.00 0.00 C ATOM 1746 O ILE A 114 2.616 -6.815 -5.225 1.00 0.00 O ATOM 1747 CB ILE A 114 2.871 -4.207 -3.273 1.00 0.00 C ATOM 1748 CG1 ILE A 114 3.036 -5.428 -2.366 1.00 0.00 C ATOM 1749 CG2 ILE A 114 1.440 -3.693 -3.223 1.00 0.00 C ATOM 1750 CD1 ILE A 114 4.479 -5.813 -2.127 1.00 0.00 C ATOM 0 H ILE A 114 2.841 -2.552 -5.151 1.00 0.00 H new ATOM 0 HA ILE A 114 4.280 -4.952 -4.726 1.00 0.00 H new ATOM 0 HB ILE A 114 3.533 -3.419 -2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.559 -5.225 -1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 114 2.512 -6.274 -2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.177 -3.448 -2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.352 -2.800 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.764 -4.462 -3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.520 -6.686 -1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.955 -6.048 -3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.003 -4.983 -1.654 1.00 0.00 H new ATOM 1762 N GLN A 115 1.149 -5.184 -5.730 1.00 0.00 N ATOM 1763 CA GLN A 115 0.149 -6.100 -6.267 1.00 0.00 C ATOM 1764 C GLN A 115 0.791 -7.117 -7.206 1.00 0.00 C ATOM 1765 O GLN A 115 0.423 -8.291 -7.207 1.00 0.00 O ATOM 1766 CB GLN A 115 -0.940 -5.322 -7.006 1.00 0.00 C ATOM 1767 CG GLN A 115 -2.079 -4.866 -6.108 1.00 0.00 C ATOM 1768 CD GLN A 115 -3.057 -3.955 -6.822 1.00 0.00 C ATOM 1769 OE1 GLN A 115 -2.787 -3.476 -7.924 1.00 0.00 O ATOM 1770 NE2 GLN A 115 -4.203 -3.710 -6.197 1.00 0.00 N ATOM 0 H GLN A 115 0.879 -4.201 -5.758 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.301 -6.637 -5.432 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.492 -4.450 -7.482 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -1.344 -5.947 -7.802 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -2.611 -5.739 -5.731 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.668 -4.345 -5.243 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -4.386 -4.128 -5.285 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -4.900 -3.104 -6.629 1.00 0.00 H new ATOM 1779 N GLN A 116 1.750 -6.656 -8.002 1.00 0.00 N ATOM 1780 CA GLN A 116 2.441 -7.526 -8.947 1.00 0.00 C ATOM 1781 C GLN A 116 3.764 -8.017 -8.367 1.00 0.00 C ATOM 1782 O GLN A 116 4.123 -9.184 -8.516 1.00 0.00 O ATOM 1783 CB GLN A 116 2.689 -6.789 -10.264 1.00 0.00 C ATOM 1784 CG GLN A 116 1.513 -6.848 -11.225 1.00 0.00 C ATOM 1785 CD GLN A 116 1.295 -8.235 -11.796 1.00 0.00 C ATOM 1786 OE1 GLN A 116 2.233 -8.882 -12.261 1.00 0.00 O ATOM 1787 NE2 GLN A 116 0.051 -8.700 -11.763 1.00 0.00 N ATOM 0 H GLN A 116 2.066 -5.686 -8.012 1.00 0.00 H new ATOM 0 HA GLN A 116 1.806 -8.391 -9.138 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.920 -5.746 -10.049 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.566 -7.216 -10.750 1.00 0.00 H new ATOM 0 HG2 GLN A 116 0.609 -6.526 -10.707 1.00 0.00 H new ATOM 0 HG3 GLN A 116 1.680 -6.145 -12.041 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -0.696 -8.129 -11.368 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -0.157 -9.628 -12.133 1.00 0.00 H new ATOM 1796 N ASN A 117 4.485 -7.117 -7.706 1.00 0.00 N ATOM 1797 CA ASN A 117 5.769 -7.458 -7.105 1.00 0.00 C ATOM 1798 C ASN A 117 5.583 -7.971 -5.681 1.00 0.00 C ATOM 1799 O ASN A 117 6.350 -7.627 -4.780 1.00 0.00 O ATOM 1800 CB ASN A 117 6.694 -6.239 -7.103 1.00 0.00 C ATOM 1801 CG ASN A 117 7.085 -5.808 -8.504 1.00 0.00 C ATOM 1802 OD1 ASN A 117 8.120 -6.221 -9.027 1.00 0.00 O ATOM 1803 ND2 ASN A 117 6.256 -4.972 -9.118 1.00 0.00 N ATOM 0 H ASN A 117 4.202 -6.146 -7.573 1.00 0.00 H new ATOM 0 HA ASN A 117 6.223 -8.249 -7.701 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.198 -5.411 -6.596 1.00 0.00 H new ATOM 0 HB3 ASN A 117 7.594 -6.470 -6.532 1.00 0.00 H new ATOM 0 HD21 ASN A 117 6.466 -4.646 -10.061 1.00 0.00 H new ATOM 0 HD22 ASN A 117 5.409 -4.655 -8.646 1.00 0.00 H new ATOM 1810 N LEU A 118 4.561 -8.797 -5.484 1.00 0.00 N ATOM 1811 CA LEU A 118 4.274 -9.359 -4.169 1.00 0.00 C ATOM 1812 C LEU A 118 5.076 -10.636 -3.936 1.00 0.00 C ATOM 1813 O LEU A 118 5.610 -10.856 -2.849 1.00 0.00 O ATOM 1814 CB LEU A 118 2.779 -9.651 -4.032 1.00 0.00 C ATOM 1815 CG LEU A 118 2.341 -10.311 -2.724 1.00 0.00 C ATOM 1816 CD1 LEU A 118 2.214 -9.275 -1.619 1.00 0.00 C ATOM 1817 CD2 LEU A 118 1.025 -11.052 -2.916 1.00 0.00 C ATOM 0 H LEU A 118 3.917 -9.092 -6.218 1.00 0.00 H new ATOM 0 HA LEU A 118 4.565 -8.626 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.234 -8.713 -4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.478 -10.294 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 118 3.103 -11.033 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 118 1.901 -9.764 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.177 -8.789 -1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 118 1.472 -8.529 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.728 -11.516 -1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 118 0.255 -10.349 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.149 -11.822 -3.677 1.00 0.00 H new ATOM 1829 N ARG A 119 5.157 -11.473 -4.965 1.00 0.00 N ATOM 1830 CA ARG A 119 5.894 -12.728 -4.873 1.00 0.00 C ATOM 1831 C ARG A 119 7.388 -12.469 -4.696 1.00 0.00 C ATOM 1832 O ARG A 119 8.057 -13.142 -3.912 1.00 0.00 O ATOM 1833 CB ARG A 119 5.657 -13.576 -6.123 1.00 0.00 C ATOM 1834 CG ARG A 119 6.039 -12.875 -7.416 1.00 0.00 C ATOM 1835 CD ARG A 119 5.831 -13.779 -8.622 1.00 0.00 C ATOM 1836 NE ARG A 119 6.074 -13.077 -9.880 1.00 0.00 N ATOM 1837 CZ ARG A 119 5.205 -12.239 -10.433 1.00 0.00 C ATOM 1838 NH1 ARG A 119 4.043 -11.998 -9.842 1.00 0.00 N ATOM 1839 NH2 ARG A 119 5.499 -11.638 -11.580 1.00 0.00 N ATOM 0 H ARG A 119 4.722 -11.305 -5.872 1.00 0.00 H new ATOM 0 HA ARG A 119 5.531 -13.271 -4.000 1.00 0.00 H new ATOM 0 HB2 ARG A 119 6.228 -14.500 -6.038 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.604 -13.855 -6.168 1.00 0.00 H new ATOM 0 HG2 ARG A 119 5.442 -11.970 -7.531 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.083 -12.564 -7.368 1.00 0.00 H new ATOM 0 HD2 ARG A 119 6.499 -14.638 -8.551 1.00 0.00 H new ATOM 0 HD3 ARG A 119 4.812 -14.166 -8.614 1.00 0.00 H new ATOM 0 HE ARG A 119 6.959 -13.239 -10.360 1.00 0.00 H new ATOM 0 HH11 ARG A 119 3.815 -12.457 -8.960 1.00 0.00 H new ATOM 0 HH12 ARG A 119 3.377 -11.354 -10.269 1.00 0.00 H new ATOM 0 HH21 ARG A 119 6.393 -11.820 -12.037 1.00 0.00 H new ATOM 0 HH22 ARG A 119 4.831 -10.994 -12.004 1.00 0.00 H new ATOM 1853 N HIS A 120 7.904 -11.489 -5.432 1.00 0.00 N ATOM 1854 CA HIS A 120 9.319 -11.141 -5.357 1.00 0.00 C ATOM 1855 C HIS A 120 9.751 -10.932 -3.908 1.00 0.00 C ATOM 1856 O HIS A 120 10.669 -11.593 -3.423 1.00 0.00 O ATOM 1857 CB HIS A 120 9.598 -9.878 -6.172 1.00 0.00 C ATOM 1858 CG HIS A 120 11.056 -9.632 -6.414 1.00 0.00 C ATOM 1859 ND1 HIS A 120 11.641 -9.740 -7.658 1.00 0.00 N ATOM 1860 CD2 HIS A 120 12.048 -9.280 -5.563 1.00 0.00 C ATOM 1861 CE1 HIS A 120 12.930 -9.467 -7.561 1.00 0.00 C ATOM 1862 NE2 HIS A 120 13.202 -9.184 -6.300 1.00 0.00 N ATOM 0 H HIS A 120 7.364 -10.923 -6.086 1.00 0.00 H new ATOM 0 HA HIS A 120 9.894 -11.968 -5.773 1.00 0.00 H new ATOM 0 HB2 HIS A 120 9.086 -9.954 -7.132 1.00 0.00 H new ATOM 0 HB3 HIS A 120 9.174 -9.019 -5.652 1.00 0.00 H new ATOM 0 HD2 HIS A 120 11.950 -9.107 -4.502 1.00 0.00 H new ATOM 0 HE1 HIS A 120 13.640 -9.474 -8.374 1.00 0.00 H new ATOM 0 HE2 HIS A 120 14.121 -8.935 -5.933 1.00 0.00 H new ATOM 1871 N ILE A 121 9.083 -10.009 -3.224 1.00 0.00 N ATOM 1872 CA ILE A 121 9.399 -9.714 -1.832 1.00 0.00 C ATOM 1873 C ILE A 121 9.273 -10.962 -0.964 1.00 0.00 C ATOM 1874 O ILE A 121 10.083 -11.190 -0.064 1.00 0.00 O ATOM 1875 CB ILE A 121 8.480 -8.615 -1.267 1.00 0.00 C ATOM 1876 CG1 ILE A 121 8.629 -7.327 -2.080 1.00 0.00 C ATOM 1877 CG2 ILE A 121 8.796 -8.361 0.199 1.00 0.00 C ATOM 1878 CD1 ILE A 121 7.539 -6.314 -1.812 1.00 0.00 C ATOM 0 H ILE A 121 8.320 -9.453 -3.611 1.00 0.00 H new ATOM 0 HA ILE A 121 10.430 -9.361 -1.810 1.00 0.00 H new ATOM 0 HB ILE A 121 7.446 -8.953 -1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 121 9.596 -6.876 -1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 121 8.630 -7.575 -3.141 1.00 0.00 H new ATOM 0 HG21 ILE A 121 8.138 -7.582 0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 121 8.644 -9.278 0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 121 9.833 -8.041 0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 121 7.709 -5.427 -2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 121 6.570 -6.747 -2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 121 7.551 -6.037 -0.758 1.00 0.00 H new ATOM 1890 N LEU A 122 8.254 -11.768 -1.240 1.00 0.00 N ATOM 1891 CA LEU A 122 8.023 -12.994 -0.485 1.00 0.00 C ATOM 1892 C LEU A 122 8.904 -14.127 -1.004 1.00 0.00 C ATOM 1893 O LEU A 122 8.467 -15.274 -1.096 1.00 0.00 O ATOM 1894 CB LEU A 122 6.550 -13.399 -0.571 1.00 0.00 C ATOM 1895 CG LEU A 122 5.619 -12.765 0.464 1.00 0.00 C ATOM 1896 CD1 LEU A 122 4.165 -12.958 0.062 1.00 0.00 C ATOM 1897 CD2 LEU A 122 5.875 -13.354 1.843 1.00 0.00 C ATOM 0 H LEU A 122 7.575 -11.595 -1.981 1.00 0.00 H new ATOM 0 HA LEU A 122 8.282 -12.804 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 122 6.182 -13.146 -1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 122 6.485 -14.483 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 122 5.825 -11.695 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.517 -12.501 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.990 -12.489 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.945 -14.023 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 122 5.204 -12.891 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 122 5.697 -14.429 1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 122 6.908 -13.164 2.134 1.00 0.00 H new