USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 671 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 95 ASN : amide:sc= -0.352 X(o=-0.29,f=0.19) USER MOD Set 1.2: A 97 SER OG : rot 180:sc= 0.0618 USER MOD Set 2.1: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 67 SER OG : rot 180:sc= -1.03 USER MOD Set 3.2: A 68 HIS :FLIP no HD1:sc= -4.02! C(o=-6.4!,f=-5.1!) USER MOD Set 4.1: A 43 ASN : amide:sc= -2.47 K(o=-2.2,f=-2.8!) USER MOD Set 4.2: A 45 THR OG1 : rot 180:sc= 0.252 USER MOD Set 5.1: A 35 SER OG : rot 90:sc= -0.685 USER MOD Set 5.2: A 83 ASN : amide:sc= -1.94 X(o=-2.6,f=-2.8) USER MOD Set 6.1: A 29 CYS SG : rot 164:sc= 0.822 USER MOD Set 6.2: A 79 CYS SG : rot 31:sc= 0.981 USER MOD Set 7.1: A 24 MET CE :methyl 144:sc= -0.378 (180deg=0) USER MOD Set 7.2: A 65 ASN : amide:sc= -2.54! X(o=-2.9!,f=-2.7) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.506 X(o=-0.51,f=-0.19) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -48:sc= 0.638 USER MOD Single : A 34 MET CE :methyl 153:sc= -0.186 (180deg=-0.846) USER MOD Single : A 36 SER OG : rot 39:sc= -0.212 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 61:sc= -0.256 USER MOD Single : A 49 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-1.5) USER MOD Single : A 51 SER OG : rot -100:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-7.8!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.0203 K(o=0.02,f=-2.7!) USER MOD Single : A 63 THR OG1 : rot -2:sc= 0.123 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 167:sc= -0.225 USER MOD Single : A 77 TYR OH : rot -23:sc= 1.07 USER MOD Single : A 80 MET CE :methyl 154:sc= -7.89! (180deg=-8.43!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.814 K(o=-0.81,f=-3.3!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.275 K(o=-0.28,f=-2.2!) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.285 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 10 12.611 -0.053 -6.062 1.00 0.00 N ATOM 101 CA ILE A 10 11.167 0.143 -6.112 1.00 0.00 C ATOM 102 C ILE A 10 10.751 0.836 -7.405 1.00 0.00 C ATOM 103 O ILE A 10 10.566 2.052 -7.438 1.00 0.00 O ATOM 104 CB ILE A 10 10.671 0.975 -4.914 1.00 0.00 C ATOM 105 CG1 ILE A 10 11.043 0.288 -3.599 1.00 0.00 C ATOM 106 CG2 ILE A 10 9.167 1.184 -5.002 1.00 0.00 C ATOM 107 CD1 ILE A 10 10.869 1.173 -2.385 1.00 0.00 C ATOM 0 HA ILE A 10 10.712 -0.847 -6.071 1.00 0.00 H new ATOM 0 HB ILE A 10 11.156 1.951 -4.942 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.430 -0.605 -3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.080 -0.043 -3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.831 1.773 -4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.926 1.712 -5.925 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.664 0.217 -4.995 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.151 0.621 -1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.503 2.054 -2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.827 1.483 -2.307 1.00 0.00 H new ATOM 119 N MET A 11 10.604 0.053 -8.469 1.00 0.00 N ATOM 120 CA MET A 11 10.206 0.591 -9.764 1.00 0.00 C ATOM 121 C MET A 11 9.239 1.759 -9.594 1.00 0.00 C ATOM 122 O MET A 11 9.246 2.702 -10.385 1.00 0.00 O ATOM 123 CB MET A 11 9.559 -0.502 -10.618 1.00 0.00 C ATOM 124 CG MET A 11 10.558 -1.490 -11.199 1.00 0.00 C ATOM 125 SD MET A 11 11.269 -0.923 -12.756 1.00 0.00 S ATOM 126 CE MET A 11 11.939 -2.455 -13.399 1.00 0.00 C ATOM 0 H MET A 11 10.755 -0.956 -8.459 1.00 0.00 H new ATOM 0 HA MET A 11 11.101 0.954 -10.269 1.00 0.00 H new ATOM 0 HB2 MET A 11 8.835 -1.045 -10.011 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.006 -0.035 -11.433 1.00 0.00 H new ATOM 0 HG2 MET A 11 11.358 -1.658 -10.478 1.00 0.00 H new ATOM 0 HG3 MET A 11 10.065 -2.449 -11.357 1.00 0.00 H new ATOM 0 HE1 MET A 11 12.414 -2.269 -14.362 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.677 -2.851 -12.701 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.134 -3.179 -13.525 1.00 0.00 H new ATOM 136 N ASP A 12 8.410 1.688 -8.559 1.00 0.00 N ATOM 137 CA ASP A 12 7.438 2.740 -8.285 1.00 0.00 C ATOM 138 C ASP A 12 7.142 2.831 -6.792 1.00 0.00 C ATOM 139 O ASP A 12 6.784 1.839 -6.158 1.00 0.00 O ATOM 140 CB ASP A 12 6.144 2.482 -9.059 1.00 0.00 C ATOM 141 CG ASP A 12 5.356 3.753 -9.311 1.00 0.00 C ATOM 142 OD1 ASP A 12 4.644 4.201 -8.389 1.00 0.00 O ATOM 143 OD2 ASP A 12 5.452 4.299 -10.430 1.00 0.00 O ATOM 0 H ASP A 12 8.391 0.913 -7.896 1.00 0.00 H new ATOM 0 HA ASP A 12 7.865 3.689 -8.611 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.382 2.011 -10.013 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.525 1.779 -8.502 1.00 0.00 H new ATOM 148 N ALA A 13 7.295 4.029 -6.236 1.00 0.00 N ATOM 149 CA ALA A 13 7.043 4.250 -4.817 1.00 0.00 C ATOM 150 C ALA A 13 5.682 4.899 -4.595 1.00 0.00 C ATOM 151 O ALA A 13 5.238 5.747 -5.371 1.00 0.00 O ATOM 152 CB ALA A 13 8.144 5.109 -4.213 1.00 0.00 C ATOM 0 H ALA A 13 7.592 4.861 -6.746 1.00 0.00 H new ATOM 0 HA ALA A 13 7.039 3.280 -4.319 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.943 5.266 -3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.104 4.605 -4.330 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.175 6.072 -4.723 1.00 0.00 H new ATOM 158 N PRO A 14 5.001 4.494 -3.513 1.00 0.00 N ATOM 159 CA PRO A 14 3.679 5.024 -3.165 1.00 0.00 C ATOM 160 C PRO A 14 3.740 6.476 -2.704 1.00 0.00 C ATOM 161 O PRO A 14 4.788 6.957 -2.273 1.00 0.00 O ATOM 162 CB PRO A 14 3.224 4.118 -2.019 1.00 0.00 C ATOM 163 CG PRO A 14 4.487 3.610 -1.413 1.00 0.00 C ATOM 164 CD PRO A 14 5.469 3.488 -2.546 1.00 0.00 C ATOM 0 HA PRO A 14 3.003 5.025 -4.020 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.629 4.669 -1.291 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.603 3.300 -2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.856 4.294 -0.649 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.328 2.647 -0.929 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.488 3.690 -2.218 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.465 2.486 -2.975 1.00 0.00 H new ATOM 172 N ARG A 15 2.610 7.170 -2.797 1.00 0.00 N ATOM 173 CA ARG A 15 2.536 8.568 -2.390 1.00 0.00 C ATOM 174 C ARG A 15 1.199 8.869 -1.720 1.00 0.00 C ATOM 175 O ARG A 15 0.200 8.196 -1.976 1.00 0.00 O ATOM 176 CB ARG A 15 2.731 9.485 -3.600 1.00 0.00 C ATOM 177 CG ARG A 15 3.370 10.820 -3.255 1.00 0.00 C ATOM 178 CD ARG A 15 3.493 11.711 -4.481 1.00 0.00 C ATOM 179 NE ARG A 15 3.428 13.129 -4.136 1.00 0.00 N ATOM 180 CZ ARG A 15 3.488 14.107 -5.033 1.00 0.00 C ATOM 181 NH1 ARG A 15 3.613 13.823 -6.321 1.00 0.00 N ATOM 182 NH2 ARG A 15 3.422 15.373 -4.640 1.00 0.00 N ATOM 0 H ARG A 15 1.733 6.787 -3.151 1.00 0.00 H new ATOM 0 HA ARG A 15 3.333 8.754 -1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.352 8.974 -4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.763 9.665 -4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.773 11.325 -2.495 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.358 10.652 -2.825 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.436 11.504 -4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.695 11.472 -5.184 1.00 0.00 H new ATOM 0 HE ARG A 15 3.331 13.382 -3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.663 12.851 -6.626 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.659 14.576 -7.007 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.325 15.595 -3.649 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.468 16.124 -5.329 1.00 0.00 H new ATOM 196 N ASP A 16 1.188 9.883 -0.862 1.00 0.00 N ATOM 197 CA ASP A 16 -0.026 10.274 -0.156 1.00 0.00 C ATOM 198 C ASP A 16 -1.257 10.067 -1.034 1.00 0.00 C ATOM 199 O ASP A 16 -1.210 10.280 -2.246 1.00 0.00 O ATOM 200 CB ASP A 16 0.062 11.736 0.283 1.00 0.00 C ATOM 201 CG ASP A 16 -1.297 12.406 0.343 1.00 0.00 C ATOM 202 OD1 ASP A 16 -2.174 11.904 1.078 1.00 0.00 O ATOM 203 OD2 ASP A 16 -1.484 13.431 -0.344 1.00 0.00 O ATOM 0 H ASP A 16 2.007 10.449 -0.639 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.122 9.642 0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.534 11.790 1.264 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.703 12.282 -0.409 1.00 0.00 H new ATOM 208 N LEU A 17 -2.355 9.649 -0.415 1.00 0.00 N ATOM 209 CA LEU A 17 -3.598 9.411 -1.140 1.00 0.00 C ATOM 210 C LEU A 17 -4.801 9.882 -0.328 1.00 0.00 C ATOM 211 O LEU A 17 -4.919 9.576 0.858 1.00 0.00 O ATOM 212 CB LEU A 17 -3.742 7.925 -1.472 1.00 0.00 C ATOM 213 CG LEU A 17 -5.094 7.492 -2.041 1.00 0.00 C ATOM 214 CD1 LEU A 17 -5.173 7.808 -3.527 1.00 0.00 C ATOM 215 CD2 LEU A 17 -5.326 6.008 -1.796 1.00 0.00 C ATOM 0 H LEU A 17 -2.410 9.468 0.587 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.563 9.982 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.966 7.657 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.551 7.351 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.878 8.050 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.142 7.493 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.053 8.881 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.381 7.277 -4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.293 5.718 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.538 5.432 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.314 5.810 -0.724 1.00 0.00 H new ATOM 227 N ASN A 18 -5.692 10.626 -0.976 1.00 0.00 N ATOM 228 CA ASN A 18 -6.886 11.137 -0.314 1.00 0.00 C ATOM 229 C ASN A 18 -8.148 10.552 -0.942 1.00 0.00 C ATOM 230 O ASN A 18 -8.521 10.911 -2.059 1.00 0.00 O ATOM 231 CB ASN A 18 -6.924 12.664 -0.393 1.00 0.00 C ATOM 232 CG ASN A 18 -6.486 13.184 -1.748 1.00 0.00 C ATOM 233 OD1 ASN A 18 -5.303 13.441 -1.974 1.00 0.00 O ATOM 234 ND2 ASN A 18 -7.440 13.341 -2.658 1.00 0.00 N ATOM 0 H ASN A 18 -5.609 10.888 -1.958 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.849 10.835 0.733 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.936 13.011 -0.184 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.278 13.081 0.379 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.205 13.687 -3.588 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.407 13.115 -2.427 1.00 0.00 H new ATOM 241 N ILE A 19 -8.801 9.652 -0.215 1.00 0.00 N ATOM 242 CA ILE A 19 -10.022 9.020 -0.700 1.00 0.00 C ATOM 243 C ILE A 19 -11.121 9.064 0.357 1.00 0.00 C ATOM 244 O ILE A 19 -10.843 9.143 1.553 1.00 0.00 O ATOM 245 CB ILE A 19 -9.774 7.555 -1.106 1.00 0.00 C ATOM 246 CG1 ILE A 19 -11.064 6.923 -1.632 1.00 0.00 C ATOM 247 CG2 ILE A 19 -9.233 6.762 0.075 1.00 0.00 C ATOM 248 CD1 ILE A 19 -10.829 5.765 -2.576 1.00 0.00 C ATOM 0 H ILE A 19 -8.505 9.344 0.711 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.342 9.583 -1.577 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.031 7.536 -1.903 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.660 6.577 -0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.650 7.686 -2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.063 5.729 -0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.293 7.202 0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.955 6.787 0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.787 5.367 -2.909 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.260 6.109 -3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.270 4.983 -2.061 1.00 0.00 H new ATOM 260 N SER A 20 -12.370 9.009 -0.094 1.00 0.00 N ATOM 261 CA SER A 20 -13.512 9.045 0.812 1.00 0.00 C ATOM 262 C SER A 20 -13.797 7.659 1.382 1.00 0.00 C ATOM 263 O SER A 20 -13.273 6.657 0.895 1.00 0.00 O ATOM 264 CB SER A 20 -14.750 9.574 0.086 1.00 0.00 C ATOM 265 OG SER A 20 -14.763 10.991 0.066 1.00 0.00 O ATOM 0 H SER A 20 -12.617 8.939 -1.081 1.00 0.00 H new ATOM 0 HA SER A 20 -13.269 9.715 1.636 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.767 9.193 -0.935 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.650 9.206 0.579 1.00 0.00 H new ATOM 0 HG SER A 20 -15.563 11.304 -0.405 1.00 0.00 H new ATOM 271 N GLU A 21 -14.630 7.611 2.416 1.00 0.00 N ATOM 272 CA GLU A 21 -14.984 6.348 3.053 1.00 0.00 C ATOM 273 C GLU A 21 -15.927 5.537 2.168 1.00 0.00 C ATOM 274 O GLU A 21 -16.781 6.094 1.479 1.00 0.00 O ATOM 275 CB GLU A 21 -15.637 6.602 4.413 1.00 0.00 C ATOM 276 CG GLU A 21 -16.346 5.386 4.985 1.00 0.00 C ATOM 277 CD GLU A 21 -17.803 5.312 4.572 1.00 0.00 C ATOM 278 OE1 GLU A 21 -18.593 6.166 5.025 1.00 0.00 O ATOM 279 OE2 GLU A 21 -18.152 4.399 3.794 1.00 0.00 O ATOM 0 H GLU A 21 -15.072 8.431 2.830 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.068 5.776 3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.873 6.931 5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.354 7.417 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.833 4.483 4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.281 5.411 6.073 1.00 0.00 H new ATOM 286 N GLY A 22 -15.765 4.218 2.192 1.00 0.00 N ATOM 287 CA GLY A 22 -16.607 3.352 1.388 1.00 0.00 C ATOM 288 C GLY A 22 -16.306 3.463 -0.093 1.00 0.00 C ATOM 289 O GLY A 22 -17.204 3.346 -0.927 1.00 0.00 O ATOM 0 H GLY A 22 -15.065 3.733 2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.470 2.319 1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.653 3.603 1.563 1.00 0.00 H new ATOM 293 N ARG A 23 -15.039 3.692 -0.422 1.00 0.00 N ATOM 294 CA ARG A 23 -14.622 3.822 -1.813 1.00 0.00 C ATOM 295 C ARG A 23 -13.412 2.938 -2.104 1.00 0.00 C ATOM 296 O ARG A 23 -12.801 2.387 -1.189 1.00 0.00 O ATOM 297 CB ARG A 23 -14.291 5.280 -2.135 1.00 0.00 C ATOM 298 CG ARG A 23 -15.477 6.220 -1.993 1.00 0.00 C ATOM 299 CD ARG A 23 -15.309 7.463 -2.853 1.00 0.00 C ATOM 300 NE ARG A 23 -16.407 8.408 -2.669 1.00 0.00 N ATOM 301 CZ ARG A 23 -16.696 9.376 -3.531 1.00 0.00 C ATOM 302 NH1 ARG A 23 -15.972 9.526 -4.632 1.00 0.00 N ATOM 303 NH2 ARG A 23 -17.710 10.198 -3.293 1.00 0.00 N ATOM 0 H ARG A 23 -14.283 3.791 0.256 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.448 3.496 -2.445 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.491 5.616 -1.476 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.910 5.341 -3.155 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.391 5.700 -2.278 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.589 6.511 -0.949 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.366 7.950 -2.605 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.252 7.173 -3.902 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.984 8.320 -1.832 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.191 8.897 -4.818 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.196 10.270 -5.292 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.269 10.087 -2.447 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.931 10.941 -3.956 1.00 0.00 H new ATOM 317 N MET A 24 -13.074 2.809 -3.382 1.00 0.00 N ATOM 318 CA MET A 24 -11.937 1.993 -3.793 1.00 0.00 C ATOM 319 C MET A 24 -10.657 2.822 -3.825 1.00 0.00 C ATOM 320 O MET A 24 -10.577 3.831 -4.525 1.00 0.00 O ATOM 321 CB MET A 24 -12.194 1.377 -5.169 1.00 0.00 C ATOM 322 CG MET A 24 -11.504 0.038 -5.374 1.00 0.00 C ATOM 323 SD MET A 24 -12.200 -0.898 -6.749 1.00 0.00 S ATOM 324 CE MET A 24 -11.330 -2.454 -6.573 1.00 0.00 C ATOM 0 H MET A 24 -13.571 3.259 -4.151 1.00 0.00 H new ATOM 0 HA MET A 24 -11.813 1.193 -3.063 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.268 1.248 -5.305 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.856 2.072 -5.938 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.442 0.205 -5.554 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.584 -0.551 -4.461 1.00 0.00 H new ATOM 0 HE1 MET A 24 -11.996 -3.275 -6.837 1.00 0.00 H new ATOM 0 HE2 MET A 24 -10.463 -2.463 -7.234 1.00 0.00 H new ATOM 0 HE3 MET A 24 -11.000 -2.572 -5.541 1.00 0.00 H new ATOM 334 N ALA A 25 -9.657 2.389 -3.063 1.00 0.00 N ATOM 335 CA ALA A 25 -8.381 3.090 -3.007 1.00 0.00 C ATOM 336 C ALA A 25 -7.224 2.152 -3.334 1.00 0.00 C ATOM 337 O ALA A 25 -7.290 0.953 -3.062 1.00 0.00 O ATOM 338 CB ALA A 25 -8.183 3.716 -1.634 1.00 0.00 C ATOM 0 H ALA A 25 -9.707 1.556 -2.476 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.396 3.881 -3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.226 4.237 -1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.987 4.425 -1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.194 2.935 -0.873 1.00 0.00 H new ATOM 344 N GLU A 26 -6.167 2.705 -3.920 1.00 0.00 N ATOM 345 CA GLU A 26 -4.996 1.915 -4.285 1.00 0.00 C ATOM 346 C GLU A 26 -3.713 2.709 -4.060 1.00 0.00 C ATOM 347 O GLU A 26 -3.704 3.937 -4.151 1.00 0.00 O ATOM 348 CB GLU A 26 -5.087 1.476 -5.748 1.00 0.00 C ATOM 349 CG GLU A 26 -6.162 0.434 -6.005 1.00 0.00 C ATOM 350 CD GLU A 26 -6.096 -0.140 -7.408 1.00 0.00 C ATOM 351 OE1 GLU A 26 -5.710 0.602 -8.335 1.00 0.00 O ATOM 352 OE2 GLU A 26 -6.429 -1.331 -7.577 1.00 0.00 O ATOM 0 H GLU A 26 -6.097 3.696 -4.152 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.972 1.031 -3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.284 2.350 -6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.122 1.075 -6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.060 -0.374 -5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.143 0.882 -5.846 1.00 0.00 H new ATOM 359 N LEU A 27 -2.630 1.999 -3.764 1.00 0.00 N ATOM 360 CA LEU A 27 -1.339 2.635 -3.525 1.00 0.00 C ATOM 361 C LEU A 27 -0.360 2.323 -4.652 1.00 0.00 C ATOM 362 O LEU A 27 0.049 1.176 -4.834 1.00 0.00 O ATOM 363 CB LEU A 27 -0.759 2.171 -2.188 1.00 0.00 C ATOM 364 CG LEU A 27 -1.199 2.961 -0.955 1.00 0.00 C ATOM 365 CD1 LEU A 27 -1.127 2.091 0.291 1.00 0.00 C ATOM 366 CD2 LEU A 27 -0.341 4.208 -0.787 1.00 0.00 C ATOM 0 H LEU A 27 -2.620 0.982 -3.684 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.495 3.713 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.030 1.126 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.328 2.213 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.234 3.272 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.444 2.670 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.783 1.229 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.102 1.749 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.668 4.758 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.703 3.918 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.443 4.841 -1.668 1.00 0.00 H new ATOM 378 N LYS A 28 0.014 3.352 -5.406 1.00 0.00 N ATOM 379 CA LYS A 28 0.947 3.190 -6.514 1.00 0.00 C ATOM 380 C LYS A 28 2.271 2.608 -6.029 1.00 0.00 C ATOM 381 O LYS A 28 3.111 3.324 -5.481 1.00 0.00 O ATOM 382 CB LYS A 28 1.191 4.534 -7.203 1.00 0.00 C ATOM 383 CG LYS A 28 -0.042 5.100 -7.886 1.00 0.00 C ATOM 384 CD LYS A 28 -0.278 4.450 -9.239 1.00 0.00 C ATOM 385 CE LYS A 28 0.519 5.139 -10.335 1.00 0.00 C ATOM 386 NZ LYS A 28 0.513 4.356 -11.602 1.00 0.00 N ATOM 0 H LYS A 28 -0.316 4.308 -5.269 1.00 0.00 H new ATOM 0 HA LYS A 28 0.505 2.497 -7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.549 5.252 -6.465 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.983 4.415 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.914 4.946 -7.250 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.073 6.176 -8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.001 3.397 -9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.340 4.488 -9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.103 6.130 -10.518 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.547 5.282 -10.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.067 4.859 -12.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.933 3.420 -11.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.466 4.241 -11.935 1.00 0.00 H new ATOM 400 N CYS A 29 2.452 1.308 -6.234 1.00 0.00 N ATOM 401 CA CYS A 29 3.675 0.631 -5.818 1.00 0.00 C ATOM 402 C CYS A 29 4.008 -0.519 -6.764 1.00 0.00 C ATOM 403 O CYS A 29 3.185 -1.405 -6.994 1.00 0.00 O ATOM 404 CB CYS A 29 3.531 0.106 -4.389 1.00 0.00 C ATOM 405 SG CYS A 29 4.878 -0.979 -3.862 1.00 0.00 S ATOM 0 H CYS A 29 1.767 0.702 -6.686 1.00 0.00 H new ATOM 0 HA CYS A 29 4.491 1.353 -5.851 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.473 0.954 -3.706 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.589 -0.436 -4.306 1.00 0.00 H new ATOM 0 HG CYS A 29 4.857 -1.099 -2.568 1.00 0.00 H new ATOM 411 N ARG A 30 5.219 -0.496 -7.310 1.00 0.00 N ATOM 412 CA ARG A 30 5.660 -1.535 -8.233 1.00 0.00 C ATOM 413 C ARG A 30 6.983 -2.143 -7.776 1.00 0.00 C ATOM 414 O ARG A 30 7.932 -1.425 -7.458 1.00 0.00 O ATOM 415 CB ARG A 30 5.810 -0.963 -9.644 1.00 0.00 C ATOM 416 CG ARG A 30 4.513 -0.949 -10.437 1.00 0.00 C ATOM 417 CD ARG A 30 3.700 0.303 -10.152 1.00 0.00 C ATOM 418 NE ARG A 30 4.034 1.393 -11.065 1.00 0.00 N ATOM 419 CZ ARG A 30 3.811 1.350 -12.373 1.00 0.00 C ATOM 420 NH1 ARG A 30 3.255 0.277 -12.919 1.00 0.00 N ATOM 421 NH2 ARG A 30 4.143 2.382 -13.139 1.00 0.00 N ATOM 0 H ARG A 30 5.912 0.230 -7.130 1.00 0.00 H new ATOM 0 HA ARG A 30 4.904 -2.320 -8.245 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.195 0.054 -9.575 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.552 -1.548 -10.187 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.736 -1.005 -11.502 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.924 -1.831 -10.188 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.638 0.072 -10.236 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.876 0.624 -9.125 1.00 0.00 H new ATOM 0 HE ARG A 30 4.462 2.233 -10.676 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.998 -0.518 -12.334 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.085 0.246 -13.924 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.570 3.210 -12.723 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.971 2.347 -14.144 1.00 0.00 H new ATOM 435 N THR A 31 7.039 -3.471 -7.744 1.00 0.00 N ATOM 436 CA THR A 31 8.244 -4.175 -7.325 1.00 0.00 C ATOM 437 C THR A 31 8.711 -5.153 -8.397 1.00 0.00 C ATOM 438 O THR A 31 7.917 -5.684 -9.175 1.00 0.00 O ATOM 439 CB THR A 31 8.016 -4.943 -6.009 1.00 0.00 C ATOM 440 OG1 THR A 31 7.007 -5.942 -6.193 1.00 0.00 O ATOM 441 CG2 THR A 31 7.601 -3.995 -4.894 1.00 0.00 C ATOM 0 H THR A 31 6.263 -4.080 -8.003 1.00 0.00 H new ATOM 0 HA THR A 31 9.013 -3.419 -7.168 1.00 0.00 H new ATOM 0 HB THR A 31 8.954 -5.422 -5.727 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.230 -5.544 -6.638 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.446 -4.560 -3.975 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.384 -3.254 -4.736 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.675 -3.491 -5.171 1.00 0.00 H new ATOM 449 N PRO A 32 10.028 -5.400 -8.441 1.00 0.00 N ATOM 450 CA PRO A 32 10.630 -6.317 -9.413 1.00 0.00 C ATOM 451 C PRO A 32 10.267 -7.773 -9.138 1.00 0.00 C ATOM 452 O PRO A 32 9.768 -8.122 -8.068 1.00 0.00 O ATOM 453 CB PRO A 32 12.133 -6.096 -9.226 1.00 0.00 C ATOM 454 CG PRO A 32 12.273 -5.605 -7.827 1.00 0.00 C ATOM 455 CD PRO A 32 11.032 -4.803 -7.544 1.00 0.00 C ATOM 0 HA PRO A 32 10.280 -6.123 -10.427 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.691 -7.020 -9.379 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.518 -5.369 -9.941 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.368 -6.437 -7.129 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.168 -4.992 -7.716 1.00 0.00 H new ATOM 0 HD2 PRO A 32 10.733 -4.880 -6.499 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.181 -3.744 -7.756 1.00 0.00 H new ATOM 463 N PRO A 33 10.523 -8.644 -10.126 1.00 0.00 N ATOM 464 CA PRO A 33 10.232 -10.076 -10.013 1.00 0.00 C ATOM 465 C PRO A 33 11.154 -10.779 -9.022 1.00 0.00 C ATOM 466 O PRO A 33 12.306 -10.384 -8.844 1.00 0.00 O ATOM 467 CB PRO A 33 10.474 -10.600 -11.431 1.00 0.00 C ATOM 468 CG PRO A 33 11.439 -9.637 -12.031 1.00 0.00 C ATOM 469 CD PRO A 33 11.117 -8.297 -11.428 1.00 0.00 C ATOM 0 HA PRO A 33 9.223 -10.258 -9.642 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.881 -11.611 -11.415 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.547 -10.639 -12.002 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.467 -9.927 -11.812 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.340 -9.610 -13.116 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.010 -7.683 -11.312 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.422 -7.733 -12.050 1.00 0.00 H new ATOM 477 N MET A 34 10.639 -11.822 -8.379 1.00 0.00 N ATOM 478 CA MET A 34 11.417 -12.580 -7.407 1.00 0.00 C ATOM 479 C MET A 34 11.804 -11.705 -6.219 1.00 0.00 C ATOM 480 O MET A 34 12.951 -11.720 -5.773 1.00 0.00 O ATOM 481 CB MET A 34 12.674 -13.154 -8.063 1.00 0.00 C ATOM 482 CG MET A 34 12.384 -14.025 -9.274 1.00 0.00 C ATOM 483 SD MET A 34 13.740 -15.148 -9.664 1.00 0.00 S ATOM 484 CE MET A 34 13.706 -16.228 -8.236 1.00 0.00 C ATOM 0 H MET A 34 9.687 -12.161 -8.514 1.00 0.00 H new ATOM 0 HA MET A 34 10.798 -13.401 -7.045 1.00 0.00 H new ATOM 0 HB2 MET A 34 13.324 -12.333 -8.364 1.00 0.00 H new ATOM 0 HB3 MET A 34 13.222 -13.741 -7.326 1.00 0.00 H new ATOM 0 HG2 MET A 34 11.479 -14.604 -9.091 1.00 0.00 H new ATOM 0 HG3 MET A 34 12.186 -13.388 -10.136 1.00 0.00 H new ATOM 0 HE1 MET A 34 14.106 -17.205 -8.509 1.00 0.00 H new ATOM 0 HE2 MET A 34 14.313 -15.797 -7.440 1.00 0.00 H new ATOM 0 HE3 MET A 34 12.679 -16.340 -7.889 1.00 0.00 H new ATOM 494 N SER A 35 10.839 -10.944 -5.711 1.00 0.00 N ATOM 495 CA SER A 35 11.081 -10.060 -4.577 1.00 0.00 C ATOM 496 C SER A 35 9.987 -10.215 -3.524 1.00 0.00 C ATOM 497 O SER A 35 8.971 -10.868 -3.761 1.00 0.00 O ATOM 498 CB SER A 35 11.151 -8.605 -5.044 1.00 0.00 C ATOM 499 OG SER A 35 12.174 -8.428 -6.009 1.00 0.00 O ATOM 0 H SER A 35 9.883 -10.922 -6.067 1.00 0.00 H new ATOM 0 HA SER A 35 12.035 -10.337 -4.129 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.191 -8.309 -5.468 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.336 -7.954 -4.190 1.00 0.00 H new ATOM 0 HG SER A 35 11.807 -8.576 -6.906 1.00 0.00 H new ATOM 505 N SER A 36 10.205 -9.612 -2.360 1.00 0.00 N ATOM 506 CA SER A 36 9.241 -9.686 -1.269 1.00 0.00 C ATOM 507 C SER A 36 8.563 -8.337 -1.051 1.00 0.00 C ATOM 508 O SER A 36 9.210 -7.355 -0.686 1.00 0.00 O ATOM 509 CB SER A 36 9.932 -10.136 0.020 1.00 0.00 C ATOM 510 OG SER A 36 10.839 -9.152 0.484 1.00 0.00 O ATOM 0 H SER A 36 11.041 -9.067 -2.148 1.00 0.00 H new ATOM 0 HA SER A 36 8.479 -10.417 -1.539 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.183 -10.335 0.787 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.464 -11.071 -0.156 1.00 0.00 H new ATOM 0 HG SER A 36 10.452 -8.262 0.350 1.00 0.00 H new ATOM 516 N VAL A 37 7.254 -8.296 -1.277 1.00 0.00 N ATOM 517 CA VAL A 37 6.486 -7.069 -1.105 1.00 0.00 C ATOM 518 C VAL A 37 5.525 -7.182 0.073 1.00 0.00 C ATOM 519 O VAL A 37 4.645 -8.043 0.090 1.00 0.00 O ATOM 520 CB VAL A 37 5.686 -6.724 -2.375 1.00 0.00 C ATOM 521 CG1 VAL A 37 4.868 -7.922 -2.832 1.00 0.00 C ATOM 522 CG2 VAL A 37 4.790 -5.520 -2.129 1.00 0.00 C ATOM 0 H VAL A 37 6.703 -9.099 -1.580 1.00 0.00 H new ATOM 0 HA VAL A 37 7.204 -6.272 -0.909 1.00 0.00 H new ATOM 0 HB VAL A 37 6.389 -6.469 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.309 -7.660 -3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.535 -8.756 -3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.173 -8.210 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.232 -5.290 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.093 -5.744 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.402 -4.662 -1.852 1.00 0.00 H new ATOM 532 N LYS A 38 5.698 -6.307 1.058 1.00 0.00 N ATOM 533 CA LYS A 38 4.845 -6.307 2.241 1.00 0.00 C ATOM 534 C LYS A 38 4.298 -4.910 2.516 1.00 0.00 C ATOM 535 O LYS A 38 4.842 -3.915 2.039 1.00 0.00 O ATOM 536 CB LYS A 38 5.626 -6.809 3.457 1.00 0.00 C ATOM 537 CG LYS A 38 6.003 -8.278 3.374 1.00 0.00 C ATOM 538 CD LYS A 38 6.411 -8.827 4.731 1.00 0.00 C ATOM 539 CE LYS A 38 6.086 -10.308 4.853 1.00 0.00 C ATOM 540 NZ LYS A 38 7.208 -11.163 4.374 1.00 0.00 N ATOM 0 H LYS A 38 6.422 -5.588 1.060 1.00 0.00 H new ATOM 0 HA LYS A 38 4.006 -6.977 2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.534 -6.215 3.566 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.029 -6.646 4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.159 -8.850 2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.824 -8.405 2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.480 -8.674 4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.897 -8.275 5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.866 -10.547 5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.188 -10.531 4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.948 -12.165 4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.402 -10.953 3.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.059 -10.968 4.940 1.00 0.00 H new ATOM 554 N TRP A 39 3.220 -4.845 3.289 1.00 0.00 N ATOM 555 CA TRP A 39 2.600 -3.569 3.629 1.00 0.00 C ATOM 556 C TRP A 39 2.334 -3.475 5.127 1.00 0.00 C ATOM 557 O TRP A 39 1.389 -4.076 5.640 1.00 0.00 O ATOM 558 CB TRP A 39 1.293 -3.391 2.855 1.00 0.00 C ATOM 559 CG TRP A 39 1.499 -2.991 1.425 1.00 0.00 C ATOM 560 CD1 TRP A 39 1.557 -3.820 0.342 1.00 0.00 C ATOM 561 CD2 TRP A 39 1.677 -1.661 0.925 1.00 0.00 C ATOM 562 NE1 TRP A 39 1.760 -3.086 -0.802 1.00 0.00 N ATOM 563 CE2 TRP A 39 1.836 -1.759 -0.471 1.00 0.00 C ATOM 564 CE3 TRP A 39 1.716 -0.397 1.520 1.00 0.00 C ATOM 565 CZ2 TRP A 39 2.032 -0.641 -1.278 1.00 0.00 C ATOM 566 CZ3 TRP A 39 1.910 0.711 0.718 1.00 0.00 C ATOM 567 CH2 TRP A 39 2.065 0.584 -0.669 1.00 0.00 C ATOM 0 H TRP A 39 2.757 -5.660 3.692 1.00 0.00 H new ATOM 0 HA TRP A 39 3.290 -2.773 3.351 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.731 -4.324 2.886 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.685 -2.635 3.352 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.458 -4.895 0.379 1.00 0.00 H new ATOM 0 HE1 TRP A 39 1.841 -3.467 -1.745 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.597 -0.288 2.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.154 -0.737 -2.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.943 1.692 1.168 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.213 1.470 -1.269 1.00 0.00 H new ATOM 578 N LEU A 40 3.173 -2.717 5.826 1.00 0.00 N ATOM 579 CA LEU A 40 3.028 -2.544 7.267 1.00 0.00 C ATOM 580 C LEU A 40 1.941 -1.522 7.587 1.00 0.00 C ATOM 581 O LEU A 40 1.980 -0.389 7.106 1.00 0.00 O ATOM 582 CB LEU A 40 4.356 -2.103 7.884 1.00 0.00 C ATOM 583 CG LEU A 40 4.534 -2.394 9.375 1.00 0.00 C ATOM 584 CD1 LEU A 40 6.008 -2.393 9.747 1.00 0.00 C ATOM 585 CD2 LEU A 40 3.771 -1.377 10.211 1.00 0.00 C ATOM 0 H LEU A 40 3.960 -2.213 5.418 1.00 0.00 H new ATOM 0 HA LEU A 40 2.736 -3.503 7.695 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.166 -2.590 7.340 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.467 -1.030 7.728 1.00 0.00 H new ATOM 0 HG LEU A 40 4.129 -3.384 9.583 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.115 -2.602 10.811 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.529 -3.159 9.173 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.439 -1.417 9.524 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.909 -1.599 11.269 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.147 -0.376 9.998 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.710 -1.426 9.965 1.00 0.00 H new ATOM 597 N LEU A 41 0.974 -1.930 8.401 1.00 0.00 N ATOM 598 CA LEU A 41 -0.122 -1.049 8.788 1.00 0.00 C ATOM 599 C LEU A 41 0.287 -0.145 9.946 1.00 0.00 C ATOM 600 O LEU A 41 1.153 -0.483 10.754 1.00 0.00 O ATOM 601 CB LEU A 41 -1.351 -1.873 9.178 1.00 0.00 C ATOM 602 CG LEU A 41 -1.918 -2.788 8.093 1.00 0.00 C ATOM 603 CD1 LEU A 41 -2.477 -1.967 6.941 1.00 0.00 C ATOM 604 CD2 LEU A 41 -0.850 -3.751 7.595 1.00 0.00 C ATOM 0 H LEU A 41 0.927 -2.865 8.806 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.369 -0.421 7.932 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.094 -2.485 10.043 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.137 -1.188 9.495 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.731 -3.371 8.525 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.876 -2.635 6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.273 -1.319 7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.683 -1.357 6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.272 -4.395 6.823 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.015 -3.186 7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.497 -4.363 8.425 1.00 0.00 H new ATOM 616 N PRO A 42 -0.350 1.032 10.032 1.00 0.00 N ATOM 617 CA PRO A 42 -0.071 2.008 11.090 1.00 0.00 C ATOM 618 C PRO A 42 -0.553 1.536 12.457 1.00 0.00 C ATOM 619 O PRO A 42 -0.447 2.258 13.447 1.00 0.00 O ATOM 620 CB PRO A 42 -0.853 3.246 10.645 1.00 0.00 C ATOM 621 CG PRO A 42 -1.953 2.714 9.793 1.00 0.00 C ATOM 622 CD PRO A 42 -1.393 1.501 9.104 1.00 0.00 C ATOM 0 HA PRO A 42 0.998 2.183 11.211 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.246 3.795 11.501 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.219 3.935 10.088 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.823 2.453 10.396 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.280 3.459 9.067 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.158 0.742 8.943 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.979 1.749 8.127 1.00 0.00 H new ATOM 630 N ASN A 43 -1.083 0.318 12.504 1.00 0.00 N ATOM 631 CA ASN A 43 -1.582 -0.251 13.750 1.00 0.00 C ATOM 632 C ASN A 43 -0.567 -1.218 14.352 1.00 0.00 C ATOM 633 O ASN A 43 -0.783 -1.769 15.430 1.00 0.00 O ATOM 634 CB ASN A 43 -2.910 -0.973 13.510 1.00 0.00 C ATOM 635 CG ASN A 43 -3.016 -1.537 12.106 1.00 0.00 C ATOM 636 OD1 ASN A 43 -3.461 -0.855 11.184 1.00 0.00 O ATOM 637 ND2 ASN A 43 -2.605 -2.789 11.939 1.00 0.00 N ATOM 0 H ASN A 43 -1.178 -0.294 11.693 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.742 0.565 14.454 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.016 -1.782 14.233 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.734 -0.280 13.684 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.651 -3.222 11.017 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.243 -3.317 12.733 1.00 0.00 H new ATOM 644 N GLY A 44 0.543 -1.417 13.647 1.00 0.00 N ATOM 645 CA GLY A 44 1.576 -2.316 14.128 1.00 0.00 C ATOM 646 C GLY A 44 1.613 -3.620 13.357 1.00 0.00 C ATOM 647 O GLY A 44 2.621 -4.328 13.367 1.00 0.00 O ATOM 0 H GLY A 44 0.745 -0.972 12.752 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.546 -1.824 14.052 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.408 -2.526 15.184 1.00 0.00 H new ATOM 651 N THR A 45 0.512 -3.941 12.686 1.00 0.00 N ATOM 652 CA THR A 45 0.421 -5.171 11.908 1.00 0.00 C ATOM 653 C THR A 45 1.036 -4.993 10.525 1.00 0.00 C ATOM 654 O THR A 45 1.431 -3.890 10.147 1.00 0.00 O ATOM 655 CB THR A 45 -1.040 -5.631 11.752 1.00 0.00 C ATOM 656 OG1 THR A 45 -1.767 -5.371 12.958 1.00 0.00 O ATOM 657 CG2 THR A 45 -1.108 -7.115 11.423 1.00 0.00 C ATOM 0 H THR A 45 -0.330 -3.366 12.665 1.00 0.00 H new ATOM 0 HA THR A 45 0.977 -5.932 12.455 1.00 0.00 H new ATOM 0 HB THR A 45 -1.488 -5.072 10.930 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.696 -5.665 12.850 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.150 -7.417 11.318 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.579 -7.305 10.489 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.644 -7.687 12.226 1.00 0.00 H new ATOM 665 N VAL A 46 1.115 -6.086 9.772 1.00 0.00 N ATOM 666 CA VAL A 46 1.680 -6.049 8.428 1.00 0.00 C ATOM 667 C VAL A 46 1.195 -7.231 7.596 1.00 0.00 C ATOM 668 O VAL A 46 1.359 -8.388 7.984 1.00 0.00 O ATOM 669 CB VAL A 46 3.220 -6.061 8.467 1.00 0.00 C ATOM 670 CG1 VAL A 46 3.727 -7.310 9.172 1.00 0.00 C ATOM 671 CG2 VAL A 46 3.789 -5.965 7.059 1.00 0.00 C ATOM 0 H VAL A 46 0.795 -7.008 10.070 1.00 0.00 H new ATOM 0 HA VAL A 46 1.342 -5.121 7.967 1.00 0.00 H new ATOM 0 HB VAL A 46 3.559 -5.192 9.031 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.817 -7.301 9.190 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.348 -7.330 10.194 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.380 -8.195 8.638 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.878 -5.975 7.105 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.443 -6.813 6.468 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.454 -5.038 6.594 1.00 0.00 H new ATOM 681 N LEU A 47 0.596 -6.932 6.448 1.00 0.00 N ATOM 682 CA LEU A 47 0.086 -7.970 5.558 1.00 0.00 C ATOM 683 C LEU A 47 1.077 -8.259 4.435 1.00 0.00 C ATOM 684 O LEU A 47 2.146 -7.653 4.366 1.00 0.00 O ATOM 685 CB LEU A 47 -1.261 -7.547 4.970 1.00 0.00 C ATOM 686 CG LEU A 47 -2.356 -7.201 5.979 1.00 0.00 C ATOM 687 CD1 LEU A 47 -3.391 -6.281 5.351 1.00 0.00 C ATOM 688 CD2 LEU A 47 -3.016 -8.468 6.505 1.00 0.00 C ATOM 0 H LEU A 47 0.452 -5.980 6.112 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.049 -8.881 6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.099 -6.680 4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.625 -8.352 4.331 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.897 -6.678 6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.162 -6.046 6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.908 -5.360 5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.846 -6.777 4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.793 -8.203 7.222 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.460 -9.018 5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.268 -9.092 6.995 1.00 0.00 H new ATOM 700 N SER A 48 0.713 -9.187 3.557 1.00 0.00 N ATOM 701 CA SER A 48 1.570 -9.558 2.437 1.00 0.00 C ATOM 702 C SER A 48 0.820 -10.447 1.449 1.00 0.00 C ATOM 703 O SER A 48 -0.349 -10.776 1.656 1.00 0.00 O ATOM 704 CB SER A 48 2.821 -10.280 2.942 1.00 0.00 C ATOM 705 OG SER A 48 3.646 -10.685 1.864 1.00 0.00 O ATOM 0 H SER A 48 -0.170 -9.696 3.599 1.00 0.00 H new ATOM 0 HA SER A 48 1.869 -8.645 1.922 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.382 -9.622 3.606 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.530 -11.151 3.529 1.00 0.00 H new ATOM 0 HG SER A 48 3.941 -9.896 1.363 1.00 0.00 H new ATOM 711 N HIS A 49 1.501 -10.832 0.375 1.00 0.00 N ATOM 712 CA HIS A 49 0.900 -11.684 -0.646 1.00 0.00 C ATOM 713 C HIS A 49 0.134 -12.839 -0.008 1.00 0.00 C ATOM 714 O HIS A 49 -0.963 -13.185 -0.445 1.00 0.00 O ATOM 715 CB HIS A 49 1.977 -12.227 -1.585 1.00 0.00 C ATOM 716 CG HIS A 49 2.295 -11.311 -2.726 1.00 0.00 C ATOM 717 ND1 HIS A 49 1.344 -10.539 -3.360 1.00 0.00 N ATOM 718 CD2 HIS A 49 3.468 -11.042 -3.345 1.00 0.00 C ATOM 719 CE1 HIS A 49 1.918 -9.838 -4.321 1.00 0.00 C ATOM 720 NE2 HIS A 49 3.207 -10.124 -4.333 1.00 0.00 N ATOM 0 H HIS A 49 2.468 -10.568 0.189 1.00 0.00 H new ATOM 0 HA HIS A 49 0.198 -11.080 -1.221 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.887 -12.411 -1.013 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.650 -13.188 -1.982 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.431 -11.470 -3.106 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.418 -9.148 -4.984 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.897 -9.728 -4.972 1.00 0.00 H new ATOM 729 N ALA A 50 0.721 -13.432 1.026 1.00 0.00 N ATOM 730 CA ALA A 50 0.094 -14.547 1.725 1.00 0.00 C ATOM 731 C ALA A 50 -1.269 -14.149 2.282 1.00 0.00 C ATOM 732 O ALA A 50 -2.291 -14.735 1.925 1.00 0.00 O ATOM 733 CB ALA A 50 0.998 -15.046 2.842 1.00 0.00 C ATOM 0 H ALA A 50 1.630 -13.159 1.398 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.057 -15.354 1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.517 -15.879 3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.947 -15.379 2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.179 -14.239 3.551 1.00 0.00 H new ATOM 739 N SER A 51 -1.276 -13.150 3.159 1.00 0.00 N ATOM 740 CA SER A 51 -2.513 -12.677 3.769 1.00 0.00 C ATOM 741 C SER A 51 -3.667 -12.738 2.773 1.00 0.00 C ATOM 742 O SER A 51 -3.461 -12.668 1.561 1.00 0.00 O ATOM 743 CB SER A 51 -2.340 -11.245 4.279 1.00 0.00 C ATOM 744 OG SER A 51 -1.379 -11.188 5.320 1.00 0.00 O ATOM 0 H SER A 51 -0.439 -12.653 3.463 1.00 0.00 H new ATOM 0 HA SER A 51 -2.747 -13.329 4.611 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.031 -10.598 3.458 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.296 -10.866 4.641 1.00 0.00 H new ATOM 0 HG SER A 51 -1.836 -11.154 6.186 1.00 0.00 H new ATOM 750 N ARG A 52 -4.883 -12.868 3.294 1.00 0.00 N ATOM 751 CA ARG A 52 -6.071 -12.940 2.452 1.00 0.00 C ATOM 752 C ARG A 52 -7.022 -11.785 2.753 1.00 0.00 C ATOM 753 O ARG A 52 -8.206 -11.838 2.420 1.00 0.00 O ATOM 754 CB ARG A 52 -6.791 -14.274 2.660 1.00 0.00 C ATOM 755 CG ARG A 52 -7.707 -14.658 1.510 1.00 0.00 C ATOM 756 CD ARG A 52 -7.813 -16.167 1.362 1.00 0.00 C ATOM 757 NE ARG A 52 -6.560 -16.762 0.905 1.00 0.00 N ATOM 758 CZ ARG A 52 -6.398 -18.064 0.695 1.00 0.00 C ATOM 759 NH1 ARG A 52 -7.404 -18.902 0.900 1.00 0.00 N ATOM 760 NH2 ARG A 52 -5.227 -18.529 0.279 1.00 0.00 N ATOM 0 H ARG A 52 -5.071 -12.926 4.295 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.753 -12.865 1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.049 -15.060 2.800 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.377 -14.222 3.578 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.699 -14.237 1.677 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.330 -14.226 0.583 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.095 -16.606 2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.607 -16.407 0.655 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.766 -16.144 0.738 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.306 -18.548 1.220 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.277 -19.901 0.738 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.451 -17.887 0.120 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.103 -19.529 0.118 1.00 0.00 H new ATOM 774 N HIS A 53 -6.495 -10.741 3.386 1.00 0.00 N ATOM 775 CA HIS A 53 -7.296 -9.573 3.732 1.00 0.00 C ATOM 776 C HIS A 53 -8.251 -9.213 2.598 1.00 0.00 C ATOM 777 O HIS A 53 -7.870 -9.151 1.429 1.00 0.00 O ATOM 778 CB HIS A 53 -6.390 -8.382 4.048 1.00 0.00 C ATOM 779 CG HIS A 53 -7.011 -7.387 4.979 1.00 0.00 C ATOM 780 ND1 HIS A 53 -8.050 -6.558 4.611 1.00 0.00 N ATOM 781 CD2 HIS A 53 -6.736 -7.092 6.271 1.00 0.00 C ATOM 782 CE1 HIS A 53 -8.385 -5.795 5.636 1.00 0.00 C ATOM 783 NE2 HIS A 53 -7.603 -6.099 6.656 1.00 0.00 N ATOM 0 H HIS A 53 -5.517 -10.681 3.669 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.885 -9.817 4.616 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.462 -8.748 4.487 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.125 -7.880 3.117 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.976 -7.552 6.885 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.166 -5.049 5.639 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.637 -5.667 7.579 1.00 0.00 H new ATOM 792 N PRO A 54 -9.523 -8.971 2.949 1.00 0.00 N ATOM 793 CA PRO A 54 -10.559 -8.614 1.975 1.00 0.00 C ATOM 794 C PRO A 54 -10.351 -7.220 1.393 1.00 0.00 C ATOM 795 O PRO A 54 -10.343 -7.041 0.175 1.00 0.00 O ATOM 796 CB PRO A 54 -11.850 -8.664 2.796 1.00 0.00 C ATOM 797 CG PRO A 54 -11.416 -8.416 4.200 1.00 0.00 C ATOM 798 CD PRO A 54 -10.047 -9.026 4.324 1.00 0.00 C ATOM 0 HA PRO A 54 -10.559 -9.284 1.115 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.561 -7.908 2.462 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.344 -9.631 2.699 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.389 -7.348 4.417 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.110 -8.868 4.909 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.419 -8.466 5.016 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.095 -10.050 4.695 1.00 0.00 H new ATOM 806 N ARG A 55 -10.183 -6.236 2.270 1.00 0.00 N ATOM 807 CA ARG A 55 -9.977 -4.858 1.842 1.00 0.00 C ATOM 808 C ARG A 55 -8.566 -4.665 1.293 1.00 0.00 C ATOM 809 O ARG A 55 -8.383 -4.408 0.103 1.00 0.00 O ATOM 810 CB ARG A 55 -10.217 -3.898 3.009 1.00 0.00 C ATOM 811 CG ARG A 55 -11.669 -3.827 3.450 1.00 0.00 C ATOM 812 CD ARG A 55 -11.995 -2.482 4.081 1.00 0.00 C ATOM 813 NE ARG A 55 -11.777 -2.488 5.525 1.00 0.00 N ATOM 814 CZ ARG A 55 -10.598 -2.253 6.091 1.00 0.00 C ATOM 815 NH1 ARG A 55 -9.537 -1.995 5.339 1.00 0.00 N ATOM 816 NH2 ARG A 55 -10.479 -2.276 7.412 1.00 0.00 N ATOM 0 H ARG A 55 -10.186 -6.368 3.281 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.691 -4.640 1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.604 -4.208 3.855 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.884 -2.901 2.722 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.320 -3.995 2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.873 -4.624 4.165 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.378 -1.708 3.624 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.034 -2.226 3.872 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.573 -2.683 6.132 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.624 -1.976 4.323 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.633 -1.815 5.777 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.293 -2.474 7.994 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.574 -2.096 7.846 1.00 0.00 H new ATOM 830 N ILE A 56 -7.574 -4.791 2.168 1.00 0.00 N ATOM 831 CA ILE A 56 -6.181 -4.631 1.770 1.00 0.00 C ATOM 832 C ILE A 56 -5.731 -5.778 0.871 1.00 0.00 C ATOM 833 O ILE A 56 -5.355 -6.847 1.353 1.00 0.00 O ATOM 834 CB ILE A 56 -5.250 -4.558 2.995 1.00 0.00 C ATOM 835 CG1 ILE A 56 -5.684 -3.424 3.925 1.00 0.00 C ATOM 836 CG2 ILE A 56 -3.807 -4.366 2.553 1.00 0.00 C ATOM 837 CD1 ILE A 56 -5.375 -3.686 5.383 1.00 0.00 C ATOM 0 H ILE A 56 -7.709 -5.003 3.156 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.116 -3.693 1.218 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.319 -5.498 3.542 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.189 -2.503 3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.756 -3.263 3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.161 -4.316 3.430 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.504 -5.205 1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.720 -3.439 1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.710 -2.840 5.984 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.892 -4.589 5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.300 -3.817 5.509 1.00 0.00 H new ATOM 849 N SER A 57 -5.770 -5.548 -0.437 1.00 0.00 N ATOM 850 CA SER A 57 -5.367 -6.562 -1.404 1.00 0.00 C ATOM 851 C SER A 57 -4.002 -6.234 -2.000 1.00 0.00 C ATOM 852 O SER A 57 -3.802 -5.161 -2.570 1.00 0.00 O ATOM 853 CB SER A 57 -6.409 -6.676 -2.519 1.00 0.00 C ATOM 854 OG SER A 57 -6.292 -7.912 -3.203 1.00 0.00 O ATOM 0 H SER A 57 -6.077 -4.668 -0.852 1.00 0.00 H new ATOM 0 HA SER A 57 -5.296 -7.517 -0.883 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.410 -6.584 -2.097 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.284 -5.854 -3.223 1.00 0.00 H new ATOM 0 HG SER A 57 -6.970 -7.961 -3.909 1.00 0.00 H new ATOM 860 N VAL A 58 -3.064 -7.167 -1.865 1.00 0.00 N ATOM 861 CA VAL A 58 -1.717 -6.979 -2.390 1.00 0.00 C ATOM 862 C VAL A 58 -1.597 -7.533 -3.805 1.00 0.00 C ATOM 863 O VAL A 58 -1.312 -8.716 -3.997 1.00 0.00 O ATOM 864 CB VAL A 58 -0.665 -7.657 -1.493 1.00 0.00 C ATOM 865 CG1 VAL A 58 0.736 -7.400 -2.025 1.00 0.00 C ATOM 866 CG2 VAL A 58 -0.797 -7.171 -0.057 1.00 0.00 C ATOM 0 H VAL A 58 -3.213 -8.061 -1.396 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.530 -5.905 -2.407 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.840 -8.733 -1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.466 -7.887 -1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.821 -7.802 -3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.927 -6.327 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.046 -7.660 0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.649 -6.092 -0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.791 -7.412 0.319 1.00 0.00 H new ATOM 876 N LEU A 59 -1.814 -6.672 -4.792 1.00 0.00 N ATOM 877 CA LEU A 59 -1.730 -7.075 -6.192 1.00 0.00 C ATOM 878 C LEU A 59 -0.358 -7.662 -6.507 1.00 0.00 C ATOM 879 O LEU A 59 0.662 -7.186 -6.009 1.00 0.00 O ATOM 880 CB LEU A 59 -2.008 -5.880 -7.105 1.00 0.00 C ATOM 881 CG LEU A 59 -3.436 -5.334 -7.079 1.00 0.00 C ATOM 882 CD1 LEU A 59 -3.737 -4.692 -5.734 1.00 0.00 C ATOM 883 CD2 LEU A 59 -3.645 -4.334 -8.208 1.00 0.00 C ATOM 0 H LEU A 59 -2.050 -5.690 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.483 -7.842 -6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.327 -5.074 -6.832 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.769 -6.167 -8.129 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.126 -6.166 -7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.758 -4.309 -5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.628 -5.435 -4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.041 -3.871 -5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.667 -3.956 -8.174 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.947 -3.505 -8.093 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.471 -4.825 -9.166 1.00 0.00 H new ATOM 895 N ASN A 60 -0.340 -8.699 -7.339 1.00 0.00 N ATOM 896 CA ASN A 60 0.907 -9.350 -7.723 1.00 0.00 C ATOM 897 C ASN A 60 2.025 -8.326 -7.895 1.00 0.00 C ATOM 898 O ASN A 60 3.047 -8.386 -7.211 1.00 0.00 O ATOM 899 CB ASN A 60 0.718 -10.137 -9.021 1.00 0.00 C ATOM 900 CG ASN A 60 -0.307 -9.500 -9.939 1.00 0.00 C ATOM 901 OD1 ASN A 60 0.007 -8.577 -10.692 1.00 0.00 O ATOM 902 ND2 ASN A 60 -1.539 -9.990 -9.881 1.00 0.00 N ATOM 0 H ASN A 60 -1.175 -9.106 -7.760 1.00 0.00 H new ATOM 0 HA ASN A 60 1.188 -10.039 -6.926 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.673 -10.209 -9.541 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.407 -11.154 -8.784 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.271 -9.601 -10.475 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.754 -10.755 -9.242 1.00 0.00 H new ATOM 909 N ASP A 61 1.823 -7.386 -8.812 1.00 0.00 N ATOM 910 CA ASP A 61 2.813 -6.348 -9.073 1.00 0.00 C ATOM 911 C ASP A 61 3.373 -5.790 -7.768 1.00 0.00 C ATOM 912 O ASP A 61 4.568 -5.518 -7.660 1.00 0.00 O ATOM 913 CB ASP A 61 2.194 -5.220 -9.900 1.00 0.00 C ATOM 914 CG ASP A 61 1.446 -5.735 -11.114 1.00 0.00 C ATOM 915 OD1 ASP A 61 2.073 -6.419 -11.950 1.00 0.00 O ATOM 916 OD2 ASP A 61 0.235 -5.454 -11.230 1.00 0.00 O ATOM 0 H ASP A 61 0.983 -7.322 -9.387 1.00 0.00 H new ATOM 0 HA ASP A 61 3.632 -6.795 -9.637 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.512 -4.646 -9.273 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.980 -4.537 -10.224 1.00 0.00 H new ATOM 921 N GLY A 62 2.500 -5.621 -6.780 1.00 0.00 N ATOM 922 CA GLY A 62 2.926 -5.096 -5.496 1.00 0.00 C ATOM 923 C GLY A 62 2.136 -3.871 -5.080 1.00 0.00 C ATOM 924 O GLY A 62 2.665 -2.975 -4.421 1.00 0.00 O ATOM 0 H GLY A 62 1.506 -5.838 -6.846 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.817 -5.870 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.985 -4.843 -5.544 1.00 0.00 H new ATOM 928 N THR A 63 0.865 -3.829 -5.467 1.00 0.00 N ATOM 929 CA THR A 63 0.001 -2.703 -5.133 1.00 0.00 C ATOM 930 C THR A 63 -0.965 -3.065 -4.011 1.00 0.00 C ATOM 931 O THR A 63 -1.320 -4.232 -3.836 1.00 0.00 O ATOM 932 CB THR A 63 -0.806 -2.231 -6.357 1.00 0.00 C ATOM 933 OG1 THR A 63 0.075 -1.678 -7.341 1.00 0.00 O ATOM 934 CG2 THR A 63 -1.842 -1.193 -5.955 1.00 0.00 C ATOM 0 H THR A 63 0.411 -4.562 -6.012 1.00 0.00 H new ATOM 0 HA THR A 63 0.652 -1.893 -4.802 1.00 0.00 H new ATOM 0 HB THR A 63 -1.324 -3.093 -6.777 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.995 -1.698 -7.005 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.399 -0.875 -6.836 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.529 -1.627 -5.228 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.341 -0.332 -5.512 1.00 0.00 H new ATOM 942 N LEU A 64 -1.388 -2.060 -3.253 1.00 0.00 N ATOM 943 CA LEU A 64 -2.315 -2.272 -2.147 1.00 0.00 C ATOM 944 C LEU A 64 -3.682 -1.671 -2.458 1.00 0.00 C ATOM 945 O LEU A 64 -3.857 -0.454 -2.427 1.00 0.00 O ATOM 946 CB LEU A 64 -1.756 -1.658 -0.862 1.00 0.00 C ATOM 947 CG LEU A 64 -2.165 -2.344 0.443 1.00 0.00 C ATOM 948 CD1 LEU A 64 -1.699 -3.792 0.453 1.00 0.00 C ATOM 949 CD2 LEU A 64 -1.602 -1.592 1.640 1.00 0.00 C ATOM 0 H LEU A 64 -1.104 -1.089 -3.384 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.435 -3.346 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.668 -1.661 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.070 -0.615 -0.815 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.253 -2.333 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.999 -4.264 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.151 -4.325 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.613 -3.825 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.903 -2.094 2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.514 -1.571 1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.985 -0.572 1.642 1.00 0.00 H new ATOM 961 N ASN A 65 -4.648 -2.534 -2.757 1.00 0.00 N ATOM 962 CA ASN A 65 -6.000 -2.088 -3.073 1.00 0.00 C ATOM 963 C ASN A 65 -6.893 -2.141 -1.837 1.00 0.00 C ATOM 964 O ASN A 65 -6.610 -2.869 -0.885 1.00 0.00 O ATOM 965 CB ASN A 65 -6.597 -2.952 -4.185 1.00 0.00 C ATOM 966 CG ASN A 65 -8.030 -2.571 -4.507 1.00 0.00 C ATOM 967 OD1 ASN A 65 -8.963 -2.981 -3.816 1.00 0.00 O ATOM 968 ND2 ASN A 65 -8.210 -1.783 -5.560 1.00 0.00 N ATOM 0 H ASN A 65 -4.520 -3.545 -2.787 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.945 -1.055 -3.415 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.988 -2.855 -5.083 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.561 -4.000 -3.887 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.151 -1.493 -5.825 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.407 -1.467 -6.104 1.00 0.00 H new ATOM 975 N PHE A 66 -7.972 -1.366 -1.860 1.00 0.00 N ATOM 976 CA PHE A 66 -8.907 -1.325 -0.741 1.00 0.00 C ATOM 977 C PHE A 66 -10.347 -1.249 -1.239 1.00 0.00 C ATOM 978 O PHE A 66 -10.802 -0.202 -1.700 1.00 0.00 O ATOM 979 CB PHE A 66 -8.603 -0.126 0.161 1.00 0.00 C ATOM 980 CG PHE A 66 -7.256 -0.199 0.820 1.00 0.00 C ATOM 981 CD1 PHE A 66 -6.096 -0.083 0.070 1.00 0.00 C ATOM 982 CD2 PHE A 66 -7.149 -0.383 2.189 1.00 0.00 C ATOM 983 CE1 PHE A 66 -4.854 -0.149 0.674 1.00 0.00 C ATOM 984 CE2 PHE A 66 -5.910 -0.449 2.798 1.00 0.00 C ATOM 985 CZ PHE A 66 -4.761 -0.333 2.040 1.00 0.00 C ATOM 0 H PHE A 66 -8.221 -0.758 -2.640 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.788 -2.243 -0.166 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.660 0.788 -0.431 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.372 -0.056 0.930 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.163 0.061 -0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -8.044 -0.476 2.787 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.958 -0.057 0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.840 -0.591 3.866 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.792 -0.386 2.514 1.00 0.00 H new ATOM 995 N SER A 67 -11.060 -2.367 -1.142 1.00 0.00 N ATOM 996 CA SER A 67 -12.448 -2.429 -1.586 1.00 0.00 C ATOM 997 C SER A 67 -13.254 -1.267 -1.015 1.00 0.00 C ATOM 998 O SER A 67 -14.063 -0.655 -1.713 1.00 0.00 O ATOM 999 CB SER A 67 -13.080 -3.758 -1.168 1.00 0.00 C ATOM 1000 OG SER A 67 -12.674 -4.127 0.139 1.00 0.00 O ATOM 0 H SER A 67 -10.700 -3.242 -0.760 1.00 0.00 H new ATOM 0 HA SER A 67 -12.459 -2.356 -2.673 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.166 -3.675 -1.205 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.795 -4.538 -1.874 1.00 0.00 H new ATOM 0 HG SER A 67 -13.093 -4.979 0.383 1.00 0.00 H new ATOM 1006 N HIS A 68 -13.027 -0.968 0.261 1.00 0.00 N ATOM 1007 CA HIS A 68 -13.731 0.121 0.927 1.00 0.00 C ATOM 1008 C HIS A 68 -12.959 0.597 2.155 1.00 0.00 C ATOM 1009 O HIS A 68 -12.882 -0.106 3.162 1.00 0.00 O ATOM 1010 CB HIS A 68 -15.136 -0.325 1.335 1.00 0.00 C ATOM 1011 CG HIS A 68 -15.144 -1.488 2.280 1.00 0.00 C ATOM 1012 ND1 HIS A 68 -15.370 -1.544 3.613 1.00 0.00 N flip ATOM 1013 CD2 HIS A 68 -14.896 -2.784 1.879 1.00 0.00 C flip ATOM 1014 CE1 HIS A 68 -15.257 -2.860 3.990 1.00 0.00 C flip ATOM 1015 NE2 HIS A 68 -14.971 -3.587 2.926 1.00 0.00 N flip ATOM 0 H HIS A 68 -12.361 -1.465 0.853 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.811 0.951 0.225 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.654 0.514 1.800 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.698 -0.591 0.440 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.675 -3.094 0.868 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.382 -3.238 4.994 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -14.832 -4.597 2.914 1.00 0.00 H new ATOM 1024 N VAL A 69 -12.389 1.794 2.062 1.00 0.00 N ATOM 1025 CA VAL A 69 -11.623 2.363 3.164 1.00 0.00 C ATOM 1026 C VAL A 69 -12.537 3.064 4.164 1.00 0.00 C ATOM 1027 O VAL A 69 -13.485 3.750 3.780 1.00 0.00 O ATOM 1028 CB VAL A 69 -10.570 3.366 2.657 1.00 0.00 C ATOM 1029 CG1 VAL A 69 -9.564 2.672 1.753 1.00 0.00 C ATOM 1030 CG2 VAL A 69 -11.242 4.522 1.932 1.00 0.00 C ATOM 0 H VAL A 69 -12.443 2.388 1.235 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.116 1.534 3.658 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.033 3.769 3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.828 3.396 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.060 1.881 2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.082 2.240 0.897 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.483 5.221 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.805 4.139 1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -11.920 5.035 2.615 1.00 0.00 H new ATOM 1040 N LEU A 70 -12.245 2.888 5.448 1.00 0.00 N ATOM 1041 CA LEU A 70 -13.040 3.504 6.504 1.00 0.00 C ATOM 1042 C LEU A 70 -12.262 4.624 7.188 1.00 0.00 C ATOM 1043 O LEU A 70 -11.071 4.810 6.937 1.00 0.00 O ATOM 1044 CB LEU A 70 -13.456 2.454 7.535 1.00 0.00 C ATOM 1045 CG LEU A 70 -13.845 1.084 6.979 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -14.805 1.236 5.809 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -12.606 0.308 6.556 1.00 0.00 C ATOM 0 H LEU A 70 -11.464 2.324 5.783 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.934 3.932 6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.634 2.318 8.238 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.300 2.846 8.103 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.349 0.524 7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -15.071 0.251 5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -15.706 1.751 6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.327 1.815 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.902 -0.664 6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.074 0.865 5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.953 0.167 7.417 1.00 0.00 H new ATOM 1059 N LEU A 71 -12.943 5.368 8.053 1.00 0.00 N ATOM 1060 CA LEU A 71 -12.316 6.469 8.776 1.00 0.00 C ATOM 1061 C LEU A 71 -11.216 5.957 9.700 1.00 0.00 C ATOM 1062 O LEU A 71 -10.221 6.642 9.937 1.00 0.00 O ATOM 1063 CB LEU A 71 -13.363 7.236 9.585 1.00 0.00 C ATOM 1064 CG LEU A 71 -14.620 7.661 8.825 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -15.671 8.192 9.788 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -14.279 8.707 7.774 1.00 0.00 C ATOM 0 H LEU A 71 -13.930 5.229 8.271 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.867 7.142 8.046 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.665 6.617 10.430 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.892 8.129 9.997 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.029 6.787 8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.559 8.490 9.230 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.936 7.413 10.503 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.272 9.054 10.322 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -15.185 8.998 7.243 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.846 9.582 8.259 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.561 8.291 7.067 1.00 0.00 H new ATOM 1078 N SER A 72 -11.401 4.747 10.218 1.00 0.00 N ATOM 1079 CA SER A 72 -10.426 4.143 11.119 1.00 0.00 C ATOM 1080 C SER A 72 -9.171 3.726 10.358 1.00 0.00 C ATOM 1081 O SER A 72 -8.067 3.743 10.903 1.00 0.00 O ATOM 1082 CB SER A 72 -11.034 2.931 11.826 1.00 0.00 C ATOM 1083 OG SER A 72 -11.838 3.330 12.922 1.00 0.00 O ATOM 0 H SER A 72 -12.217 4.165 10.029 1.00 0.00 H new ATOM 0 HA SER A 72 -10.148 4.887 11.866 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.635 2.358 11.120 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.238 2.273 12.175 1.00 0.00 H new ATOM 0 HG SER A 72 -12.216 2.537 13.356 1.00 0.00 H new ATOM 1089 N ASP A 73 -9.348 3.351 9.096 1.00 0.00 N ATOM 1090 CA ASP A 73 -8.231 2.930 8.259 1.00 0.00 C ATOM 1091 C ASP A 73 -7.258 4.082 8.031 1.00 0.00 C ATOM 1092 O ASP A 73 -6.095 3.869 7.687 1.00 0.00 O ATOM 1093 CB ASP A 73 -8.742 2.404 6.917 1.00 0.00 C ATOM 1094 CG ASP A 73 -9.205 0.963 6.997 1.00 0.00 C ATOM 1095 OD1 ASP A 73 -8.946 0.313 8.032 1.00 0.00 O ATOM 1096 OD2 ASP A 73 -9.827 0.484 6.026 1.00 0.00 O ATOM 0 H ASP A 73 -10.255 3.330 8.630 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.703 2.130 8.777 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.567 3.029 6.576 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.950 2.487 6.172 1.00 0.00 H new ATOM 1101 N THR A 74 -7.741 5.305 8.225 1.00 0.00 N ATOM 1102 CA THR A 74 -6.916 6.492 8.038 1.00 0.00 C ATOM 1103 C THR A 74 -5.634 6.404 8.858 1.00 0.00 C ATOM 1104 O THR A 74 -5.675 6.247 10.078 1.00 0.00 O ATOM 1105 CB THR A 74 -7.676 7.773 8.431 1.00 0.00 C ATOM 1106 OG1 THR A 74 -8.813 7.948 7.579 1.00 0.00 O ATOM 1107 CG2 THR A 74 -6.770 8.991 8.334 1.00 0.00 C ATOM 0 H THR A 74 -8.700 5.500 8.512 1.00 0.00 H new ATOM 0 HA THR A 74 -6.665 6.539 6.978 1.00 0.00 H new ATOM 0 HB THR A 74 -8.009 7.670 9.464 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.405 8.630 7.960 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.329 9.883 8.616 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.921 8.867 9.006 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.411 9.097 7.310 1.00 0.00 H new ATOM 1115 N GLY A 75 -4.494 6.506 8.180 1.00 0.00 N ATOM 1116 CA GLY A 75 -3.216 6.437 8.863 1.00 0.00 C ATOM 1117 C GLY A 75 -2.044 6.442 7.902 1.00 0.00 C ATOM 1118 O GLY A 75 -2.139 6.979 6.798 1.00 0.00 O ATOM 0 H GLY A 75 -4.434 6.635 7.170 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.126 7.282 9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.180 5.532 9.470 1.00 0.00 H new ATOM 1122 N VAL A 76 -0.934 5.844 8.321 1.00 0.00 N ATOM 1123 CA VAL A 76 0.262 5.782 7.490 1.00 0.00 C ATOM 1124 C VAL A 76 0.609 4.341 7.132 1.00 0.00 C ATOM 1125 O VAL A 76 0.701 3.478 8.005 1.00 0.00 O ATOM 1126 CB VAL A 76 1.470 6.429 8.194 1.00 0.00 C ATOM 1127 CG1 VAL A 76 2.771 5.973 7.551 1.00 0.00 C ATOM 1128 CG2 VAL A 76 1.354 7.946 8.163 1.00 0.00 C ATOM 0 H VAL A 76 -0.838 5.395 9.232 1.00 0.00 H new ATOM 0 HA VAL A 76 0.042 6.337 6.578 1.00 0.00 H new ATOM 0 HB VAL A 76 1.476 6.108 9.236 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.613 6.441 8.062 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.855 4.889 7.630 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.778 6.262 6.500 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.215 8.387 8.665 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.322 8.287 7.128 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.441 8.252 8.674 1.00 0.00 H new ATOM 1138 N TYR A 77 0.801 4.088 5.842 1.00 0.00 N ATOM 1139 CA TYR A 77 1.136 2.750 5.368 1.00 0.00 C ATOM 1140 C TYR A 77 2.557 2.708 4.815 1.00 0.00 C ATOM 1141 O TYR A 77 2.937 3.530 3.980 1.00 0.00 O ATOM 1142 CB TYR A 77 0.145 2.305 4.291 1.00 0.00 C ATOM 1143 CG TYR A 77 -1.269 2.141 4.800 1.00 0.00 C ATOM 1144 CD1 TYR A 77 -2.046 3.248 5.121 1.00 0.00 C ATOM 1145 CD2 TYR A 77 -1.829 0.879 4.960 1.00 0.00 C ATOM 1146 CE1 TYR A 77 -3.338 3.102 5.587 1.00 0.00 C ATOM 1147 CE2 TYR A 77 -3.121 0.725 5.424 1.00 0.00 C ATOM 1148 CZ TYR A 77 -3.871 1.839 5.736 1.00 0.00 C ATOM 1149 OH TYR A 77 -5.159 1.690 6.199 1.00 0.00 O ATOM 0 H TYR A 77 0.731 4.791 5.106 1.00 0.00 H new ATOM 0 HA TYR A 77 1.074 2.066 6.215 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.149 3.035 3.482 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.482 1.359 3.868 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.633 4.239 5.004 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.244 0.004 4.717 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.928 3.973 5.833 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.541 -0.263 5.542 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.417 2.486 6.709 1.00 0.00 H new ATOM 1159 N THR A 78 3.341 1.743 5.287 1.00 0.00 N ATOM 1160 CA THR A 78 4.720 1.592 4.842 1.00 0.00 C ATOM 1161 C THR A 78 4.912 0.287 4.078 1.00 0.00 C ATOM 1162 O THR A 78 4.620 -0.793 4.592 1.00 0.00 O ATOM 1163 CB THR A 78 5.701 1.628 6.029 1.00 0.00 C ATOM 1164 OG1 THR A 78 5.441 2.776 6.845 1.00 0.00 O ATOM 1165 CG2 THR A 78 7.141 1.662 5.541 1.00 0.00 C ATOM 0 H THR A 78 3.043 1.054 5.978 1.00 0.00 H new ATOM 0 HA THR A 78 4.932 2.432 4.180 1.00 0.00 H new ATOM 0 HB THR A 78 5.556 0.723 6.619 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.068 2.791 7.598 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.815 1.687 6.397 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.344 0.772 4.945 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.297 2.551 4.930 1.00 0.00 H new ATOM 1173 N CYS A 79 5.405 0.393 2.849 1.00 0.00 N ATOM 1174 CA CYS A 79 5.636 -0.780 2.014 1.00 0.00 C ATOM 1175 C CYS A 79 7.084 -1.247 2.121 1.00 0.00 C ATOM 1176 O CYS A 79 8.013 -0.441 2.064 1.00 0.00 O ATOM 1177 CB CYS A 79 5.295 -0.469 0.556 1.00 0.00 C ATOM 1178 SG CYS A 79 5.562 -1.853 -0.576 1.00 0.00 S ATOM 0 H CYS A 79 5.652 1.279 2.409 1.00 0.00 H new ATOM 0 HA CYS A 79 4.987 -1.581 2.369 1.00 0.00 H new ATOM 0 HB2 CYS A 79 4.251 -0.161 0.496 1.00 0.00 H new ATOM 0 HB3 CYS A 79 5.897 0.378 0.226 1.00 0.00 H new ATOM 0 HG CYS A 79 5.357 -2.973 0.052 1.00 0.00 H new ATOM 1184 N MET A 80 7.269 -2.554 2.279 1.00 0.00 N ATOM 1185 CA MET A 80 8.604 -3.128 2.395 1.00 0.00 C ATOM 1186 C MET A 80 8.996 -3.857 1.114 1.00 0.00 C ATOM 1187 O MET A 80 8.179 -4.551 0.508 1.00 0.00 O ATOM 1188 CB MET A 80 8.668 -4.090 3.583 1.00 0.00 C ATOM 1189 CG MET A 80 8.054 -3.527 4.854 1.00 0.00 C ATOM 1190 SD MET A 80 8.461 -4.504 6.314 1.00 0.00 S ATOM 1191 CE MET A 80 6.854 -4.632 7.094 1.00 0.00 C ATOM 0 H MET A 80 6.511 -3.235 2.330 1.00 0.00 H new ATOM 0 HA MET A 80 9.309 -2.313 2.558 1.00 0.00 H new ATOM 0 HB2 MET A 80 8.154 -5.014 3.320 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.709 -4.348 3.776 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.401 -2.504 4.998 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.971 -3.483 4.741 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.817 -5.533 7.706 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.685 -3.759 7.724 1.00 0.00 H new ATOM 0 HE3 MET A 80 6.081 -4.682 6.328 1.00 0.00 H new ATOM 1201 N VAL A 81 10.251 -3.696 0.705 1.00 0.00 N ATOM 1202 CA VAL A 81 10.750 -4.339 -0.504 1.00 0.00 C ATOM 1203 C VAL A 81 12.160 -4.881 -0.295 1.00 0.00 C ATOM 1204 O VAL A 81 13.119 -4.118 -0.172 1.00 0.00 O ATOM 1205 CB VAL A 81 10.757 -3.365 -1.696 1.00 0.00 C ATOM 1206 CG1 VAL A 81 11.231 -4.069 -2.959 1.00 0.00 C ATOM 1207 CG2 VAL A 81 9.376 -2.761 -1.899 1.00 0.00 C ATOM 0 H VAL A 81 10.941 -3.125 1.194 1.00 0.00 H new ATOM 0 HA VAL A 81 10.075 -5.166 -0.725 1.00 0.00 H new ATOM 0 HB VAL A 81 11.454 -2.556 -1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.229 -3.365 -3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.242 -4.448 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.562 -4.899 -3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.400 -2.075 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.657 -3.556 -2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.080 -2.219 -1.001 1.00 0.00 H new ATOM 1217 N THR A 82 12.280 -6.204 -0.257 1.00 0.00 N ATOM 1218 CA THR A 82 13.573 -6.849 -0.064 1.00 0.00 C ATOM 1219 C THR A 82 13.886 -7.808 -1.207 1.00 0.00 C ATOM 1220 O THR A 82 13.038 -8.601 -1.614 1.00 0.00 O ATOM 1221 CB THR A 82 13.621 -7.622 1.268 1.00 0.00 C ATOM 1222 OG1 THR A 82 13.644 -6.705 2.367 1.00 0.00 O ATOM 1223 CG2 THR A 82 14.845 -8.523 1.326 1.00 0.00 C ATOM 0 H THR A 82 11.497 -6.850 -0.357 1.00 0.00 H new ATOM 0 HA THR A 82 14.322 -6.057 -0.044 1.00 0.00 H new ATOM 0 HB THR A 82 12.728 -8.244 1.334 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.673 -7.205 3.210 1.00 0.00 H new ATOM 0 HG21 THR A 82 14.858 -9.059 2.275 1.00 0.00 H new ATOM 0 HG22 THR A 82 14.809 -9.240 0.505 1.00 0.00 H new ATOM 0 HG23 THR A 82 15.747 -7.917 1.239 1.00 0.00 H new ATOM 1231 N ASN A 83 15.109 -7.730 -1.720 1.00 0.00 N ATOM 1232 CA ASN A 83 15.534 -8.592 -2.817 1.00 0.00 C ATOM 1233 C ASN A 83 16.965 -9.078 -2.604 1.00 0.00 C ATOM 1234 O ASN A 83 17.665 -8.606 -1.709 1.00 0.00 O ATOM 1235 CB ASN A 83 15.430 -7.846 -4.149 1.00 0.00 C ATOM 1236 CG ASN A 83 15.698 -8.747 -5.339 1.00 0.00 C ATOM 1237 OD1 ASN A 83 16.667 -8.554 -6.073 1.00 0.00 O ATOM 1238 ND2 ASN A 83 14.837 -9.740 -5.535 1.00 0.00 N ATOM 0 H ASN A 83 15.823 -7.079 -1.394 1.00 0.00 H new ATOM 0 HA ASN A 83 14.874 -9.459 -2.841 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.435 -7.412 -4.242 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.140 -7.019 -4.156 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.966 -10.379 -6.319 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.047 -9.863 -4.901 1.00 0.00 H new ATOM 1245 N VAL A 84 17.392 -10.024 -3.434 1.00 0.00 N ATOM 1246 CA VAL A 84 18.739 -10.573 -3.339 1.00 0.00 C ATOM 1247 C VAL A 84 19.789 -9.508 -3.632 1.00 0.00 C ATOM 1248 O VAL A 84 20.932 -9.609 -3.187 1.00 0.00 O ATOM 1249 CB VAL A 84 18.935 -11.753 -4.310 1.00 0.00 C ATOM 1250 CG1 VAL A 84 18.706 -11.305 -5.746 1.00 0.00 C ATOM 1251 CG2 VAL A 84 20.322 -12.354 -4.145 1.00 0.00 C ATOM 0 H VAL A 84 16.824 -10.426 -4.180 1.00 0.00 H new ATOM 0 HA VAL A 84 18.863 -10.930 -2.316 1.00 0.00 H new ATOM 0 HB VAL A 84 18.201 -12.523 -4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.849 -12.151 -6.418 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.690 -10.925 -5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 84 19.415 -10.517 -5.999 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.443 -13.186 -4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 84 21.075 -11.594 -4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.444 -12.713 -3.123 1.00 0.00 H new ATOM 1261 N ALA A 85 19.393 -8.486 -4.384 1.00 0.00 N ATOM 1262 CA ALA A 85 20.300 -7.400 -4.735 1.00 0.00 C ATOM 1263 C ALA A 85 20.369 -6.361 -3.621 1.00 0.00 C ATOM 1264 O ALA A 85 21.450 -6.017 -3.146 1.00 0.00 O ATOM 1265 CB ALA A 85 19.864 -6.750 -6.040 1.00 0.00 C ATOM 0 H ALA A 85 18.451 -8.388 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 85 21.297 -7.820 -4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 85 20.550 -5.941 -6.290 1.00 0.00 H new ATOM 0 HB2 ALA A 85 19.873 -7.493 -6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 85 18.856 -6.350 -5.928 1.00 0.00 H new ATOM 1271 N GLY A 86 19.207 -5.864 -3.209 1.00 0.00 N ATOM 1272 CA GLY A 86 19.158 -4.868 -2.154 1.00 0.00 C ATOM 1273 C GLY A 86 17.797 -4.791 -1.492 1.00 0.00 C ATOM 1274 O GLY A 86 16.952 -5.662 -1.692 1.00 0.00 O ATOM 0 H GLY A 86 18.299 -6.133 -3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.912 -5.102 -1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.413 -3.892 -2.568 1.00 0.00 H new ATOM 1278 N ASN A 87 17.584 -3.745 -0.700 1.00 0.00 N ATOM 1279 CA ASN A 87 16.316 -3.558 -0.004 1.00 0.00 C ATOM 1280 C ASN A 87 15.889 -2.094 -0.036 1.00 0.00 C ATOM 1281 O ASN A 87 16.709 -1.201 -0.246 1.00 0.00 O ATOM 1282 CB ASN A 87 16.431 -4.037 1.445 1.00 0.00 C ATOM 1283 CG ASN A 87 17.266 -3.102 2.298 1.00 0.00 C ATOM 1284 OD1 ASN A 87 17.975 -2.238 1.781 1.00 0.00 O ATOM 1285 ND2 ASN A 87 17.185 -3.270 3.613 1.00 0.00 N ATOM 0 H ASN A 87 18.273 -3.014 -0.524 1.00 0.00 H new ATOM 0 HA ASN A 87 15.557 -4.150 -0.516 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.434 -4.125 1.876 1.00 0.00 H new ATOM 0 HB3 ASN A 87 16.874 -5.033 1.462 1.00 0.00 H new ATOM 0 HD21 ASN A 87 17.723 -2.670 4.238 1.00 0.00 H new ATOM 0 HD22 ASN A 87 16.584 -3.999 3.998 1.00 0.00 H new ATOM 1292 N SER A 88 14.598 -1.855 0.176 1.00 0.00 N ATOM 1293 CA SER A 88 14.060 -0.500 0.168 1.00 0.00 C ATOM 1294 C SER A 88 12.622 -0.484 0.677 1.00 0.00 C ATOM 1295 O SER A 88 11.911 -1.484 0.592 1.00 0.00 O ATOM 1296 CB SER A 88 14.121 0.088 -1.243 1.00 0.00 C ATOM 1297 OG SER A 88 14.154 1.504 -1.204 1.00 0.00 O ATOM 0 H SER A 88 13.906 -2.582 0.355 1.00 0.00 H new ATOM 0 HA SER A 88 14.670 0.111 0.834 1.00 0.00 H new ATOM 0 HB2 SER A 88 15.006 -0.286 -1.758 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.255 -0.243 -1.816 1.00 0.00 H new ATOM 0 HG SER A 88 14.195 1.856 -2.118 1.00 0.00 H new ATOM 1303 N ASN A 89 12.200 0.661 1.205 1.00 0.00 N ATOM 1304 CA ASN A 89 10.847 0.809 1.729 1.00 0.00 C ATOM 1305 C ASN A 89 10.323 2.222 1.490 1.00 0.00 C ATOM 1306 O ASN A 89 11.097 3.175 1.403 1.00 0.00 O ATOM 1307 CB ASN A 89 10.818 0.487 3.224 1.00 0.00 C ATOM 1308 CG ASN A 89 12.013 1.061 3.962 1.00 0.00 C ATOM 1309 OD1 ASN A 89 12.678 1.975 3.473 1.00 0.00 O ATOM 1310 ND2 ASN A 89 12.291 0.525 5.145 1.00 0.00 N ATOM 0 H ASN A 89 12.776 1.500 1.281 1.00 0.00 H new ATOM 0 HA ASN A 89 10.201 0.107 1.202 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.901 0.882 3.660 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.796 -0.594 3.360 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.083 0.869 5.687 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.712 -0.231 5.511 1.00 0.00 H new ATOM 1317 N ALA A 90 9.004 2.348 1.387 1.00 0.00 N ATOM 1318 CA ALA A 90 8.377 3.644 1.162 1.00 0.00 C ATOM 1319 C ALA A 90 7.216 3.867 2.125 1.00 0.00 C ATOM 1320 O ALA A 90 6.776 2.941 2.806 1.00 0.00 O ATOM 1321 CB ALA A 90 7.899 3.756 -0.279 1.00 0.00 C ATOM 0 H ALA A 90 8.350 1.569 1.456 1.00 0.00 H new ATOM 0 HA ALA A 90 9.122 4.417 1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.433 4.729 -0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.749 3.650 -0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.173 2.969 -0.484 1.00 0.00 H new ATOM 1327 N SER A 91 6.724 5.100 2.177 1.00 0.00 N ATOM 1328 CA SER A 91 5.616 5.445 3.060 1.00 0.00 C ATOM 1329 C SER A 91 4.530 6.201 2.301 1.00 0.00 C ATOM 1330 O SER A 91 4.788 6.792 1.252 1.00 0.00 O ATOM 1331 CB SER A 91 6.116 6.290 4.234 1.00 0.00 C ATOM 1332 OG SER A 91 6.990 5.544 5.064 1.00 0.00 O ATOM 0 H SER A 91 7.075 5.877 1.618 1.00 0.00 H new ATOM 0 HA SER A 91 5.188 4.519 3.444 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.633 7.173 3.857 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.267 6.643 4.819 1.00 0.00 H new ATOM 0 HG SER A 91 7.297 6.107 5.805 1.00 0.00 H new ATOM 1338 N ALA A 92 3.315 6.177 2.838 1.00 0.00 N ATOM 1339 CA ALA A 92 2.190 6.861 2.213 1.00 0.00 C ATOM 1340 C ALA A 92 1.019 6.989 3.182 1.00 0.00 C ATOM 1341 O ALA A 92 0.659 6.031 3.866 1.00 0.00 O ATOM 1342 CB ALA A 92 1.758 6.125 0.954 1.00 0.00 C ATOM 0 H ALA A 92 3.085 5.691 3.705 1.00 0.00 H new ATOM 0 HA ALA A 92 2.513 7.865 1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.917 6.647 0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.589 6.090 0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.458 5.109 1.211 1.00 0.00 H new ATOM 1348 N TYR A 93 0.429 8.178 3.235 1.00 0.00 N ATOM 1349 CA TYR A 93 -0.700 8.432 4.122 1.00 0.00 C ATOM 1350 C TYR A 93 -2.024 8.252 3.385 1.00 0.00 C ATOM 1351 O TYR A 93 -2.135 8.563 2.198 1.00 0.00 O ATOM 1352 CB TYR A 93 -0.614 9.846 4.700 1.00 0.00 C ATOM 1353 CG TYR A 93 -1.674 10.142 5.736 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -2.950 10.540 5.359 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -1.399 10.024 7.093 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -3.922 10.812 6.303 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -2.364 10.293 8.044 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.624 10.687 7.644 1.00 0.00 C ATOM 1359 OH TYR A 93 -4.589 10.956 8.587 1.00 0.00 O ATOM 0 H TYR A 93 0.714 8.981 2.674 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.658 7.710 4.937 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.370 9.987 5.148 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.700 10.567 3.888 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.187 10.639 4.310 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.413 9.717 7.410 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.909 11.121 5.993 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.133 10.195 9.095 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.218 10.819 9.483 1.00 0.00 H new ATOM 1369 N LEU A 94 -3.026 7.748 4.097 1.00 0.00 N ATOM 1370 CA LEU A 94 -4.344 7.526 3.512 1.00 0.00 C ATOM 1371 C LEU A 94 -5.427 8.218 4.334 1.00 0.00 C ATOM 1372 O LEU A 94 -5.693 7.838 5.473 1.00 0.00 O ATOM 1373 CB LEU A 94 -4.637 6.027 3.420 1.00 0.00 C ATOM 1374 CG LEU A 94 -6.051 5.646 2.982 1.00 0.00 C ATOM 1375 CD1 LEU A 94 -6.182 5.728 1.469 1.00 0.00 C ATOM 1376 CD2 LEU A 94 -6.403 4.250 3.474 1.00 0.00 C ATOM 0 H LEU A 94 -2.951 7.485 5.080 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.346 7.952 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.929 5.581 2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.447 5.579 4.396 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.751 6.354 3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.195 5.453 1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.973 6.746 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.472 5.044 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.413 3.995 3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.698 3.530 3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.351 4.224 4.562 1.00 0.00 H new ATOM 1388 N ASN A 95 -6.050 9.234 3.746 1.00 0.00 N ATOM 1389 CA ASN A 95 -7.106 9.978 4.423 1.00 0.00 C ATOM 1390 C ASN A 95 -8.480 9.425 4.058 1.00 0.00 C ATOM 1391 O ASN A 95 -8.834 9.336 2.882 1.00 0.00 O ATOM 1392 CB ASN A 95 -7.027 11.462 4.058 1.00 0.00 C ATOM 1393 CG ASN A 95 -7.880 12.326 4.966 1.00 0.00 C ATOM 1394 OD1 ASN A 95 -7.369 12.991 5.867 1.00 0.00 O ATOM 1395 ND2 ASN A 95 -9.187 12.321 4.731 1.00 0.00 N ATOM 0 H ASN A 95 -5.842 9.561 2.802 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.963 9.867 5.498 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.990 11.793 4.115 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.348 11.597 3.025 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.811 12.884 5.309 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.567 11.754 3.973 1.00 0.00 H new ATOM 1402 N VAL A 96 -9.252 9.055 5.075 1.00 0.00 N ATOM 1403 CA VAL A 96 -10.589 8.512 4.862 1.00 0.00 C ATOM 1404 C VAL A 96 -11.647 9.379 5.535 1.00 0.00 C ATOM 1405 O VAL A 96 -11.759 9.401 6.760 1.00 0.00 O ATOM 1406 CB VAL A 96 -10.702 7.073 5.400 1.00 0.00 C ATOM 1407 CG1 VAL A 96 -12.053 6.474 5.041 1.00 0.00 C ATOM 1408 CG2 VAL A 96 -9.569 6.213 4.862 1.00 0.00 C ATOM 0 H VAL A 96 -8.975 9.121 6.054 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.760 8.504 3.786 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.621 7.102 6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.115 5.457 5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.847 7.079 5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.167 6.456 3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.664 5.200 5.252 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.616 6.189 3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.613 6.634 5.174 1.00 0.00 H new ATOM 1418 N SER A 97 -12.422 10.092 4.724 1.00 0.00 N ATOM 1419 CA SER A 97 -13.471 10.964 5.241 1.00 0.00 C ATOM 1420 C SER A 97 -14.852 10.433 4.869 1.00 0.00 C ATOM 1421 O SER A 97 -15.061 9.937 3.762 1.00 0.00 O ATOM 1422 CB SER A 97 -13.296 12.384 4.699 1.00 0.00 C ATOM 1423 OG SER A 97 -11.985 12.865 4.943 1.00 0.00 O ATOM 0 H SER A 97 -12.344 10.083 3.707 1.00 0.00 H new ATOM 0 HA SER A 97 -13.389 10.984 6.328 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.497 12.395 3.628 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.023 13.048 5.167 1.00 0.00 H new ATOM 0 HG SER A 97 -11.898 13.773 4.586 1.00 0.00 H new ATOM 1429 N SER A 98 -15.791 10.539 5.804 1.00 0.00 N ATOM 1430 CA SER A 98 -17.152 10.066 5.577 1.00 0.00 C ATOM 1431 C SER A 98 -17.674 10.542 4.225 1.00 0.00 C ATOM 1432 O SER A 98 -17.373 11.651 3.785 1.00 0.00 O ATOM 1433 CB SER A 98 -18.076 10.554 6.694 1.00 0.00 C ATOM 1434 OG SER A 98 -17.978 11.958 6.862 1.00 0.00 O ATOM 0 H SER A 98 -15.635 10.948 6.725 1.00 0.00 H new ATOM 0 HA SER A 98 -17.137 8.976 5.577 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.106 10.284 6.462 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.818 10.054 7.628 1.00 0.00 H new ATOM 0 HG SER A 98 -18.580 12.244 7.581 1.00 0.00 H new