USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 686 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 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 77 TYR OH : rot 180:sc= -0.055 USER MOD Single : A 13 GLN : amide:sc= -0.623 X(o=-0.62,f=-0.62) USER MOD Single : A 17 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.051) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.501 USER MOD Single : A 29 SER OG : rot 27:sc= 0.309 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.326 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.0079 K(o=-0.0079,f=-1.2) USER MOD Single : A 61 ASN : amide:sc= 0.193 K(o=0.19,f=-1.7!) USER MOD Single : A 65 GLN : amide:sc= -0.577 K(o=-0.58,f=-2.9) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 93:sc= 0.213 USER MOD Single : A 78 THR OG1 : rot -87:sc= 0.172 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 23:sc= 0.125 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 80 N PRO A 9 -10.553 30.273 2.547 1.00 0.00 N ATOM 81 CA PRO A 9 -9.403 29.418 2.240 1.00 0.00 C ATOM 82 C PRO A 9 -9.537 28.732 0.884 1.00 0.00 C ATOM 83 O PRO A 9 -10.554 28.101 0.594 1.00 0.00 O ATOM 84 CB PRO A 9 -9.420 28.382 3.367 1.00 0.00 C ATOM 85 CG PRO A 9 -10.840 28.332 3.814 1.00 0.00 C ATOM 86 CD PRO A 9 -11.380 29.724 3.635 1.00 0.00 C ATOM 0 HA PRO A 9 -8.476 29.988 2.180 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.081 27.408 3.014 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.758 28.673 4.183 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.410 27.614 3.224 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.910 28.017 4.855 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.437 29.714 3.370 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.285 30.312 4.548 1.00 0.00 H new ATOM 94 N VAL A 10 -8.504 28.858 0.057 1.00 0.00 N ATOM 95 CA VAL A 10 -8.506 28.249 -1.267 1.00 0.00 C ATOM 96 C VAL A 10 -7.447 27.158 -1.372 1.00 0.00 C ATOM 97 O VAL A 10 -6.260 27.409 -1.159 1.00 0.00 O ATOM 98 CB VAL A 10 -8.258 29.298 -2.368 1.00 0.00 C ATOM 99 CG1 VAL A 10 -6.789 29.691 -2.409 1.00 0.00 C ATOM 100 CG2 VAL A 10 -8.715 28.770 -3.719 1.00 0.00 C ATOM 0 H VAL A 10 -7.655 29.377 0.281 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.493 27.808 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.842 30.189 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.632 30.433 -3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.498 30.113 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.182 28.810 -2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.532 29.524 -4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.160 27.864 -3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.780 28.543 -3.680 1.00 0.00 H new ATOM 110 N ILE A 11 -7.883 25.947 -1.701 1.00 0.00 N ATOM 111 CA ILE A 11 -6.972 24.817 -1.836 1.00 0.00 C ATOM 112 C ILE A 11 -6.346 24.779 -3.226 1.00 0.00 C ATOM 113 O ILE A 11 -6.985 24.367 -4.194 1.00 0.00 O ATOM 114 CB ILE A 11 -7.689 23.481 -1.570 1.00 0.00 C ATOM 115 CG1 ILE A 11 -8.294 23.471 -0.165 1.00 0.00 C ATOM 116 CG2 ILE A 11 -6.723 22.318 -1.745 1.00 0.00 C ATOM 117 CD1 ILE A 11 -9.447 22.505 -0.010 1.00 0.00 C ATOM 0 H ILE A 11 -8.862 25.723 -1.879 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.188 24.953 -1.091 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.497 23.370 -2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.517 23.214 0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.637 24.476 0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.244 21.380 -1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.336 22.317 -2.764 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.896 22.423 -1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.826 22.552 1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.243 22.774 -0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.105 21.493 -0.224 1.00 0.00 H new ATOM 129 N ARG A 12 -5.091 25.208 -3.316 1.00 0.00 N ATOM 130 CA ARG A 12 -4.378 25.222 -4.588 1.00 0.00 C ATOM 131 C ARG A 12 -4.046 23.803 -5.040 1.00 0.00 C ATOM 132 O ARG A 12 -4.393 23.399 -6.149 1.00 0.00 O ATOM 133 CB ARG A 12 -3.094 26.045 -4.467 1.00 0.00 C ATOM 134 CG ARG A 12 -3.320 27.455 -3.949 1.00 0.00 C ATOM 135 CD ARG A 12 -3.665 28.415 -5.078 1.00 0.00 C ATOM 136 NE ARG A 12 -2.533 28.636 -5.973 1.00 0.00 N ATOM 137 CZ ARG A 12 -2.655 29.103 -7.211 1.00 0.00 C ATOM 138 NH1 ARG A 12 -3.853 29.398 -7.697 1.00 0.00 N ATOM 139 NH2 ARG A 12 -1.577 29.277 -7.965 1.00 0.00 N ATOM 0 H ARG A 12 -4.547 25.550 -2.524 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.026 25.680 -5.335 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.403 25.529 -3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.614 26.099 -5.444 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.126 27.449 -3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.424 27.803 -3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.505 28.018 -5.647 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.987 29.368 -4.658 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.597 28.420 -5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.684 29.267 -7.120 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.944 29.756 -8.648 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.654 29.052 -7.594 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.672 29.636 -8.915 1.00 0.00 H new ATOM 153 N GLN A 13 -3.372 23.054 -4.174 1.00 0.00 N ATOM 154 CA GLN A 13 -2.992 21.681 -4.485 1.00 0.00 C ATOM 155 C GLN A 13 -3.668 20.700 -3.534 1.00 0.00 C ATOM 156 O GLN A 13 -3.387 20.686 -2.337 1.00 0.00 O ATOM 157 CB GLN A 13 -1.473 21.520 -4.407 1.00 0.00 C ATOM 158 CG GLN A 13 -0.759 21.845 -5.710 1.00 0.00 C ATOM 159 CD GLN A 13 -1.454 21.253 -6.920 1.00 0.00 C ATOM 160 OE1 GLN A 13 -1.819 21.970 -7.852 1.00 0.00 O ATOM 161 NE2 GLN A 13 -1.641 19.939 -6.911 1.00 0.00 N ATOM 0 H GLN A 13 -3.078 23.375 -3.251 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.322 21.461 -5.500 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.087 22.168 -3.620 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.239 20.495 -4.120 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.696 22.927 -5.825 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.263 21.470 -5.663 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.322 19.384 -6.117 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.104 19.484 -7.698 1.00 0.00 H new ATOM 170 N GLY A 14 -4.564 19.880 -4.076 1.00 0.00 N ATOM 171 CA GLY A 14 -5.267 18.907 -3.261 1.00 0.00 C ATOM 172 C GLY A 14 -5.010 17.481 -3.708 1.00 0.00 C ATOM 173 O GLY A 14 -4.489 17.234 -4.796 1.00 0.00 O ATOM 0 H GLY A 14 -4.815 19.873 -5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.960 19.019 -2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.337 19.110 -3.301 1.00 0.00 H new ATOM 177 N PRO A 15 -5.378 16.514 -2.855 1.00 0.00 N ATOM 178 CA PRO A 15 -5.192 15.089 -3.147 1.00 0.00 C ATOM 179 C PRO A 15 -6.117 14.599 -4.256 1.00 0.00 C ATOM 180 O PRO A 15 -7.307 14.914 -4.270 1.00 0.00 O ATOM 181 CB PRO A 15 -5.540 14.408 -1.821 1.00 0.00 C ATOM 182 CG PRO A 15 -6.456 15.361 -1.134 1.00 0.00 C ATOM 183 CD PRO A 15 -6.004 16.736 -1.541 1.00 0.00 C ATOM 0 HA PRO A 15 -4.184 14.873 -3.502 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.022 13.444 -1.986 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.646 14.220 -1.226 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.491 15.188 -1.428 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.407 15.238 -0.052 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.841 17.431 -1.607 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.297 17.155 -0.825 1.00 0.00 H new ATOM 191 N VAL A 16 -5.562 13.825 -5.183 1.00 0.00 N ATOM 192 CA VAL A 16 -6.338 13.290 -6.296 1.00 0.00 C ATOM 193 C VAL A 16 -6.486 11.776 -6.185 1.00 0.00 C ATOM 194 O VAL A 16 -5.698 11.113 -5.512 1.00 0.00 O ATOM 195 CB VAL A 16 -5.688 13.633 -7.650 1.00 0.00 C ATOM 196 CG1 VAL A 16 -5.547 15.139 -7.808 1.00 0.00 C ATOM 197 CG2 VAL A 16 -4.338 12.946 -7.781 1.00 0.00 C ATOM 0 H VAL A 16 -4.579 13.554 -5.186 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.323 13.754 -6.247 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.335 13.267 -8.447 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.086 15.362 -8.770 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.532 15.604 -7.761 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.922 15.532 -7.006 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.893 13.199 -8.743 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.681 13.279 -6.978 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.471 11.866 -7.716 1.00 0.00 H new ATOM 207 N ASN A 17 -7.503 11.236 -6.849 1.00 0.00 N ATOM 208 CA ASN A 17 -7.755 9.800 -6.825 1.00 0.00 C ATOM 209 C ASN A 17 -6.498 9.021 -7.203 1.00 0.00 C ATOM 210 O ASN A 17 -5.744 9.431 -8.084 1.00 0.00 O ATOM 211 CB ASN A 17 -8.895 9.445 -7.781 1.00 0.00 C ATOM 212 CG ASN A 17 -8.984 7.955 -8.047 1.00 0.00 C ATOM 213 OD1 ASN A 17 -8.617 7.482 -9.123 1.00 0.00 O ATOM 214 ND2 ASN A 17 -9.473 7.207 -7.065 1.00 0.00 N ATOM 0 H ASN A 17 -8.166 11.771 -7.410 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.041 9.523 -5.810 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.839 9.793 -7.362 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.752 9.972 -8.724 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.557 6.198 -7.186 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.765 7.642 -6.190 1.00 0.00 H new ATOM 221 N GLN A 18 -6.282 7.895 -6.530 1.00 0.00 N ATOM 222 CA GLN A 18 -5.118 7.059 -6.795 1.00 0.00 C ATOM 223 C GLN A 18 -5.425 5.592 -6.513 1.00 0.00 C ATOM 224 O GLN A 18 -6.380 5.271 -5.805 1.00 0.00 O ATOM 225 CB GLN A 18 -3.931 7.516 -5.944 1.00 0.00 C ATOM 226 CG GLN A 18 -3.216 8.735 -6.502 1.00 0.00 C ATOM 227 CD GLN A 18 -2.012 9.136 -5.673 1.00 0.00 C ATOM 228 OE1 GLN A 18 -0.869 8.890 -6.058 1.00 0.00 O ATOM 229 NE2 GLN A 18 -2.263 9.759 -4.527 1.00 0.00 N ATOM 0 H GLN A 18 -6.898 7.541 -5.798 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.862 7.161 -7.849 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.282 7.740 -4.937 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.219 6.695 -5.858 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.896 8.528 -7.523 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.914 9.571 -6.550 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.226 9.943 -4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.492 10.054 -3.927 1.00 0.00 H new ATOM 238 N THR A 19 -4.611 4.703 -7.073 1.00 0.00 N ATOM 239 CA THR A 19 -4.797 3.270 -6.884 1.00 0.00 C ATOM 240 C THR A 19 -3.554 2.630 -6.276 1.00 0.00 C ATOM 241 O THR A 19 -2.436 2.860 -6.737 1.00 0.00 O ATOM 242 CB THR A 19 -5.124 2.566 -8.214 1.00 0.00 C ATOM 243 OG1 THR A 19 -6.158 3.278 -8.904 1.00 0.00 O ATOM 244 CG2 THR A 19 -5.565 1.130 -7.972 1.00 0.00 C ATOM 0 H THR A 19 -3.816 4.951 -7.662 1.00 0.00 H new ATOM 0 HA THR A 19 -5.637 3.148 -6.200 1.00 0.00 H new ATOM 0 HB THR A 19 -4.221 2.554 -8.825 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.359 2.825 -9.749 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.791 0.653 -8.926 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.765 0.583 -7.473 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.456 1.124 -7.344 1.00 0.00 H new ATOM 252 N VAL A 20 -3.757 1.825 -5.238 1.00 0.00 N ATOM 253 CA VAL A 20 -2.652 1.150 -4.567 1.00 0.00 C ATOM 254 C VAL A 20 -2.979 -0.317 -4.311 1.00 0.00 C ATOM 255 O VAL A 20 -4.145 -0.711 -4.297 1.00 0.00 O ATOM 256 CB VAL A 20 -2.309 1.829 -3.228 1.00 0.00 C ATOM 257 CG1 VAL A 20 -1.358 0.962 -2.418 1.00 0.00 C ATOM 258 CG2 VAL A 20 -1.714 3.208 -3.468 1.00 0.00 C ATOM 0 H VAL A 20 -4.676 1.624 -4.843 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.790 1.217 -5.231 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.228 1.950 -2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.127 1.458 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.826 -0.001 -2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.438 0.807 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.477 3.674 -2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.804 3.114 -4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.434 3.826 -4.004 1.00 0.00 H new ATOM 268 N ALA A 21 -1.941 -1.122 -4.109 1.00 0.00 N ATOM 269 CA ALA A 21 -2.118 -2.546 -3.851 1.00 0.00 C ATOM 270 C ALA A 21 -2.130 -2.835 -2.354 1.00 0.00 C ATOM 271 O ALA A 21 -1.510 -2.119 -1.568 1.00 0.00 O ATOM 272 CB ALA A 21 -1.020 -3.347 -4.536 1.00 0.00 C ATOM 0 H ALA A 21 -0.969 -0.813 -4.119 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.082 -2.847 -4.261 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.165 -4.408 -4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.059 -3.173 -5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.049 -3.034 -4.153 1.00 0.00 H new ATOM 278 N VAL A 22 -2.842 -3.889 -1.965 1.00 0.00 N ATOM 279 CA VAL A 22 -2.935 -4.273 -0.561 1.00 0.00 C ATOM 280 C VAL A 22 -1.610 -4.046 0.159 1.00 0.00 C ATOM 281 O VAL A 22 -0.543 -4.097 -0.452 1.00 0.00 O ATOM 282 CB VAL A 22 -3.343 -5.750 -0.410 1.00 0.00 C ATOM 283 CG1 VAL A 22 -3.046 -6.244 0.998 1.00 0.00 C ATOM 284 CG2 VAL A 22 -4.815 -5.933 -0.748 1.00 0.00 C ATOM 0 H VAL A 22 -3.362 -4.492 -2.602 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.702 -3.644 -0.110 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.756 -6.345 -1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.341 -7.290 1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.979 -6.150 1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.605 -5.647 1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.086 -6.983 -0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.421 -5.328 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.994 -5.620 -1.777 1.00 0.00 H new ATOM 294 N ASP A 23 -1.687 -3.797 1.462 1.00 0.00 N ATOM 295 CA ASP A 23 -0.494 -3.565 2.267 1.00 0.00 C ATOM 296 C ASP A 23 0.502 -2.683 1.521 1.00 0.00 C ATOM 297 O ASP A 23 1.710 -2.770 1.740 1.00 0.00 O ATOM 298 CB ASP A 23 0.163 -4.895 2.641 1.00 0.00 C ATOM 299 CG ASP A 23 -0.709 -5.734 3.555 1.00 0.00 C ATOM 300 OD1 ASP A 23 -1.567 -5.155 4.253 1.00 0.00 O ATOM 301 OD2 ASP A 23 -0.532 -6.970 3.571 1.00 0.00 O ATOM 0 H ASP A 23 -2.563 -3.751 1.983 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.796 -3.050 3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.380 -5.458 1.733 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.117 -4.701 3.131 1.00 0.00 H new ATOM 306 N GLY A 24 -0.013 -1.835 0.636 1.00 0.00 N ATOM 307 CA GLY A 24 0.846 -0.951 -0.131 1.00 0.00 C ATOM 308 C GLY A 24 1.228 0.298 0.640 1.00 0.00 C ATOM 309 O GLY A 24 1.492 0.239 1.841 1.00 0.00 O ATOM 0 H GLY A 24 -1.009 -1.744 0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.750 -1.487 -0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.338 -0.665 -1.052 1.00 0.00 H new ATOM 313 N THR A 25 1.260 1.432 -0.053 1.00 0.00 N ATOM 314 CA THR A 25 1.616 2.699 0.573 1.00 0.00 C ATOM 315 C THR A 25 1.078 3.879 -0.230 1.00 0.00 C ATOM 316 O THR A 25 1.517 4.131 -1.352 1.00 0.00 O ATOM 317 CB THR A 25 3.142 2.845 0.717 1.00 0.00 C ATOM 318 OG1 THR A 25 3.718 1.598 1.123 1.00 0.00 O ATOM 319 CG2 THR A 25 3.489 3.924 1.733 1.00 0.00 C ATOM 0 H THR A 25 1.044 1.499 -1.048 1.00 0.00 H new ATOM 0 HA THR A 25 1.163 2.700 1.564 1.00 0.00 H new ATOM 0 HB THR A 25 3.550 3.135 -0.251 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.689 1.699 1.211 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.572 4.009 1.818 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.075 4.878 1.407 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.069 3.659 2.703 1.00 0.00 H new ATOM 327 N PHE A 26 0.125 4.599 0.353 1.00 0.00 N ATOM 328 CA PHE A 26 -0.474 5.752 -0.309 1.00 0.00 C ATOM 329 C PHE A 26 -0.373 6.996 0.570 1.00 0.00 C ATOM 330 O PHE A 26 -0.675 6.953 1.762 1.00 0.00 O ATOM 331 CB PHE A 26 -1.939 5.470 -0.646 1.00 0.00 C ATOM 332 CG PHE A 26 -2.808 5.284 0.565 1.00 0.00 C ATOM 333 CD1 PHE A 26 -2.770 4.101 1.286 1.00 0.00 C ATOM 334 CD2 PHE A 26 -3.663 6.291 0.982 1.00 0.00 C ATOM 335 CE1 PHE A 26 -3.569 3.927 2.400 1.00 0.00 C ATOM 336 CE2 PHE A 26 -4.464 6.123 2.096 1.00 0.00 C ATOM 337 CZ PHE A 26 -4.416 4.940 2.806 1.00 0.00 C ATOM 0 H PHE A 26 -0.249 4.404 1.282 1.00 0.00 H new ATOM 0 HA PHE A 26 0.075 5.935 -1.233 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.332 6.294 -1.242 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.995 4.574 -1.265 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.109 3.306 0.974 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.704 7.218 0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.531 3.000 2.953 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.126 6.916 2.410 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.040 4.807 3.678 1.00 0.00 H new ATOM 347 N VAL A 27 0.055 8.103 -0.029 1.00 0.00 N ATOM 348 CA VAL A 27 0.195 9.359 0.697 1.00 0.00 C ATOM 349 C VAL A 27 -0.599 10.474 0.026 1.00 0.00 C ATOM 350 O VAL A 27 -0.510 10.672 -1.186 1.00 0.00 O ATOM 351 CB VAL A 27 1.672 9.786 0.800 1.00 0.00 C ATOM 352 CG1 VAL A 27 2.298 9.877 -0.583 1.00 0.00 C ATOM 353 CG2 VAL A 27 1.793 11.111 1.537 1.00 0.00 C ATOM 0 H VAL A 27 0.311 8.155 -1.015 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.198 9.190 1.700 1.00 0.00 H new ATOM 0 HB VAL A 27 2.213 9.030 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.341 10.180 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.244 8.904 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.758 10.613 -1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.843 11.397 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.239 11.879 0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.384 11.007 2.542 1.00 0.00 H new ATOM 363 N LEU A 28 -1.376 11.201 0.822 1.00 0.00 N ATOM 364 CA LEU A 28 -2.187 12.298 0.305 1.00 0.00 C ATOM 365 C LEU A 28 -1.751 13.629 0.909 1.00 0.00 C ATOM 366 O LEU A 28 -1.670 13.772 2.129 1.00 0.00 O ATOM 367 CB LEU A 28 -3.667 12.049 0.605 1.00 0.00 C ATOM 368 CG LEU A 28 -4.210 10.676 0.211 1.00 0.00 C ATOM 369 CD1 LEU A 28 -5.415 10.313 1.064 1.00 0.00 C ATOM 370 CD2 LEU A 28 -4.574 10.651 -1.267 1.00 0.00 C ATOM 0 H LEU A 28 -1.461 11.051 1.827 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.044 12.346 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.829 12.188 1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.254 12.811 0.092 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.430 9.935 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.788 9.332 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.124 10.289 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.199 11.057 0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.959 9.666 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.337 11.404 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.687 10.865 -1.864 1.00 0.00 H new ATOM 382 N SER A 29 -1.472 14.601 0.046 1.00 0.00 N ATOM 383 CA SER A 29 -1.043 15.920 0.494 1.00 0.00 C ATOM 384 C SER A 29 -2.032 16.994 0.050 1.00 0.00 C ATOM 385 O SER A 29 -2.401 17.068 -1.122 1.00 0.00 O ATOM 386 CB SER A 29 0.351 16.239 -0.052 1.00 0.00 C ATOM 387 OG SER A 29 0.314 16.449 -1.453 1.00 0.00 O ATOM 0 H SER A 29 -1.535 14.499 -0.967 1.00 0.00 H new ATOM 0 HA SER A 29 -1.007 15.912 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.744 17.128 0.442 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.032 15.419 0.178 1.00 0.00 H new ATOM 0 HG SER A 29 -0.575 16.770 -1.712 1.00 0.00 H new ATOM 393 N CYS A 30 -2.458 17.824 0.996 1.00 0.00 N ATOM 394 CA CYS A 30 -3.405 18.893 0.706 1.00 0.00 C ATOM 395 C CYS A 30 -2.911 20.224 1.266 1.00 0.00 C ATOM 396 O CYS A 30 -2.738 20.376 2.475 1.00 0.00 O ATOM 397 CB CYS A 30 -4.779 18.560 1.291 1.00 0.00 C ATOM 398 SG CYS A 30 -6.175 19.285 0.373 1.00 0.00 S ATOM 0 H CYS A 30 -2.162 17.776 1.971 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.491 18.983 -0.377 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.898 17.477 1.316 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.817 18.909 2.323 1.00 0.00 H new ATOM 403 N VAL A 31 -2.686 21.187 0.377 1.00 0.00 N ATOM 404 CA VAL A 31 -2.214 22.505 0.781 1.00 0.00 C ATOM 405 C VAL A 31 -3.283 23.567 0.551 1.00 0.00 C ATOM 406 O VAL A 31 -3.812 23.701 -0.552 1.00 0.00 O ATOM 407 CB VAL A 31 -0.938 22.903 0.015 1.00 0.00 C ATOM 408 CG1 VAL A 31 -0.361 24.196 0.573 1.00 0.00 C ATOM 409 CG2 VAL A 31 0.090 21.783 0.074 1.00 0.00 C ATOM 0 H VAL A 31 -2.823 21.078 -0.628 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.987 22.447 1.846 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.200 23.071 -1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.540 24.461 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.096 24.995 0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.113 24.059 1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.985 22.081 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.350 21.582 1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.327 20.882 -0.377 1.00 0.00 H new ATOM 419 N ALA A 32 -3.597 24.320 1.600 1.00 0.00 N ATOM 420 CA ALA A 32 -4.602 25.372 1.512 1.00 0.00 C ATOM 421 C ALA A 32 -4.063 26.693 2.050 1.00 0.00 C ATOM 422 O ALA A 32 -3.256 26.714 2.980 1.00 0.00 O ATOM 423 CB ALA A 32 -5.859 24.966 2.267 1.00 0.00 C ATOM 0 H ALA A 32 -3.170 24.221 2.521 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.853 25.513 0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.601 25.761 2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.263 24.051 1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.614 24.795 3.315 1.00 0.00 H new ATOM 429 N THR A 33 -4.513 27.796 1.458 1.00 0.00 N ATOM 430 CA THR A 33 -4.074 29.121 1.877 1.00 0.00 C ATOM 431 C THR A 33 -5.083 29.760 2.824 1.00 0.00 C ATOM 432 O THR A 33 -6.180 29.240 3.022 1.00 0.00 O ATOM 433 CB THR A 33 -3.862 30.051 0.668 1.00 0.00 C ATOM 434 OG1 THR A 33 -5.079 30.737 0.358 1.00 0.00 O ATOM 435 CG2 THR A 33 -3.395 29.261 -0.546 1.00 0.00 C ATOM 0 H THR A 33 -5.181 27.797 0.687 1.00 0.00 H new ATOM 0 HA THR A 33 -3.125 28.990 2.396 1.00 0.00 H new ATOM 0 HB THR A 33 -3.092 30.778 0.927 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.935 31.327 -0.411 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.252 29.938 -1.388 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.453 28.764 -0.316 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.146 28.514 -0.805 1.00 0.00 H new ATOM 443 N GLY A 34 -4.704 30.893 3.408 1.00 0.00 N ATOM 444 CA GLY A 34 -5.588 31.585 4.328 1.00 0.00 C ATOM 445 C GLY A 34 -4.845 32.185 5.506 1.00 0.00 C ATOM 446 O GLY A 34 -3.916 31.577 6.037 1.00 0.00 O ATOM 0 H GLY A 34 -3.801 31.344 3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.116 32.376 3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.343 30.889 4.695 1.00 0.00 H new ATOM 450 N SER A 35 -5.254 33.382 5.914 1.00 0.00 N ATOM 451 CA SER A 35 -4.617 34.066 7.033 1.00 0.00 C ATOM 452 C SER A 35 -5.613 34.299 8.165 1.00 0.00 C ATOM 453 O SER A 35 -6.661 34.920 7.987 1.00 0.00 O ATOM 454 CB SER A 35 -4.030 35.402 6.573 1.00 0.00 C ATOM 455 OG SER A 35 -2.732 35.229 6.032 1.00 0.00 O ATOM 0 H SER A 35 -6.023 33.898 5.487 1.00 0.00 H new ATOM 0 HA SER A 35 -3.812 33.432 7.405 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.683 35.851 5.824 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.988 36.093 7.415 1.00 0.00 H new ATOM 0 HG SER A 35 -2.379 36.097 5.744 1.00 0.00 H new ATOM 461 N PRO A 36 -5.279 33.787 9.359 1.00 0.00 N ATOM 462 CA PRO A 36 -4.035 33.045 9.583 1.00 0.00 C ATOM 463 C PRO A 36 -4.039 31.686 8.892 1.00 0.00 C ATOM 464 O PRO A 36 -4.980 31.345 8.175 1.00 0.00 O ATOM 465 CB PRO A 36 -3.993 32.872 11.103 1.00 0.00 C ATOM 466 CG PRO A 36 -5.419 32.939 11.531 1.00 0.00 C ATOM 467 CD PRO A 36 -6.091 33.893 10.583 1.00 0.00 C ATOM 0 HA PRO A 36 -3.170 33.568 9.176 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.540 31.920 11.381 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.401 33.656 11.575 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.885 31.955 11.490 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.502 33.288 12.560 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.129 33.615 10.402 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -6.097 34.910 10.974 1.00 0.00 H new ATOM 475 N VAL A 37 -2.981 30.912 9.112 1.00 0.00 N ATOM 476 CA VAL A 37 -2.863 29.588 8.512 1.00 0.00 C ATOM 477 C VAL A 37 -4.016 28.687 8.939 1.00 0.00 C ATOM 478 O VAL A 37 -4.316 28.539 10.124 1.00 0.00 O ATOM 479 CB VAL A 37 -1.531 28.915 8.894 1.00 0.00 C ATOM 480 CG1 VAL A 37 -1.621 28.303 10.284 1.00 0.00 C ATOM 481 CG2 VAL A 37 -1.151 27.863 7.863 1.00 0.00 C ATOM 0 H VAL A 37 -2.193 31.179 9.702 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.894 29.726 7.431 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.750 29.676 8.908 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.671 27.832 10.536 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.844 29.084 11.011 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.413 27.554 10.301 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.208 27.398 8.149 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.931 27.103 7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.042 28.334 6.886 1.00 0.00 H new ATOM 491 N PRO A 38 -4.679 28.067 7.951 1.00 0.00 N ATOM 492 CA PRO A 38 -5.810 27.168 8.200 1.00 0.00 C ATOM 493 C PRO A 38 -5.379 25.863 8.861 1.00 0.00 C ATOM 494 O PRO A 38 -4.203 25.498 8.829 1.00 0.00 O ATOM 495 CB PRO A 38 -6.365 26.900 6.799 1.00 0.00 C ATOM 496 CG PRO A 38 -5.207 27.113 5.886 1.00 0.00 C ATOM 497 CD PRO A 38 -4.377 28.197 6.516 1.00 0.00 C ATOM 0 HA PRO A 38 -6.536 27.607 8.884 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.754 25.885 6.715 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.186 27.577 6.562 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.628 26.197 5.769 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.543 27.407 4.892 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.315 28.058 6.315 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.647 29.182 6.136 1.00 0.00 H new ATOM 505 N THR A 39 -6.337 25.163 9.460 1.00 0.00 N ATOM 506 CA THR A 39 -6.056 23.899 10.129 1.00 0.00 C ATOM 507 C THR A 39 -6.242 22.721 9.179 1.00 0.00 C ATOM 508 O THR A 39 -7.345 22.475 8.689 1.00 0.00 O ATOM 509 CB THR A 39 -6.962 23.701 11.358 1.00 0.00 C ATOM 510 OG1 THR A 39 -7.007 24.904 12.133 1.00 0.00 O ATOM 511 CG2 THR A 39 -6.460 22.554 12.222 1.00 0.00 C ATOM 0 H THR A 39 -7.315 25.450 9.495 1.00 0.00 H new ATOM 0 HA THR A 39 -5.017 23.938 10.456 1.00 0.00 H new ATOM 0 HB THR A 39 -7.965 23.458 11.006 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.587 24.770 12.912 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.116 22.434 13.084 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.455 21.634 11.638 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.448 22.772 12.564 1.00 0.00 H new ATOM 519 N ILE A 40 -5.158 21.996 8.924 1.00 0.00 N ATOM 520 CA ILE A 40 -5.204 20.843 8.034 1.00 0.00 C ATOM 521 C ILE A 40 -5.693 19.600 8.770 1.00 0.00 C ATOM 522 O ILE A 40 -5.151 19.228 9.812 1.00 0.00 O ATOM 523 CB ILE A 40 -3.822 20.551 7.420 1.00 0.00 C ATOM 524 CG1 ILE A 40 -3.338 21.753 6.606 1.00 0.00 C ATOM 525 CG2 ILE A 40 -3.882 19.305 6.550 1.00 0.00 C ATOM 526 CD1 ILE A 40 -4.339 22.227 5.575 1.00 0.00 C ATOM 0 H ILE A 40 -4.238 22.187 9.321 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.904 21.088 7.235 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.112 20.373 8.227 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.112 22.575 7.286 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.407 21.490 6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.898 19.112 6.123 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.189 18.452 7.156 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.603 19.457 5.746 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.929 23.081 5.036 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.547 21.420 4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.263 22.522 6.073 1.00 0.00 H new ATOM 538 N LEU A 41 -6.719 18.959 8.221 1.00 0.00 N ATOM 539 CA LEU A 41 -7.281 17.756 8.824 1.00 0.00 C ATOM 540 C LEU A 41 -7.785 16.794 7.752 1.00 0.00 C ATOM 541 O LEU A 41 -7.698 17.080 6.558 1.00 0.00 O ATOM 542 CB LEU A 41 -8.422 18.122 9.774 1.00 0.00 C ATOM 543 CG LEU A 41 -8.126 19.233 10.782 1.00 0.00 C ATOM 544 CD1 LEU A 41 -9.389 20.020 11.096 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.527 18.653 12.054 1.00 0.00 C ATOM 0 H LEU A 41 -7.179 19.253 7.359 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.492 17.260 9.389 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.284 18.421 9.177 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.711 17.227 10.325 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.399 19.914 10.340 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.159 20.806 11.815 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.776 20.468 10.181 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.139 19.351 11.518 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.323 19.458 12.760 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.230 17.949 12.499 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.598 18.135 11.815 1.00 0.00 H new ATOM 557 N TRP A 42 -8.313 15.656 8.187 1.00 0.00 N ATOM 558 CA TRP A 42 -8.833 14.653 7.265 1.00 0.00 C ATOM 559 C TRP A 42 -10.068 13.971 7.843 1.00 0.00 C ATOM 560 O TRP A 42 -10.407 14.165 9.010 1.00 0.00 O ATOM 561 CB TRP A 42 -7.758 13.611 6.953 1.00 0.00 C ATOM 562 CG TRP A 42 -6.589 14.171 6.201 1.00 0.00 C ATOM 563 CD1 TRP A 42 -5.531 14.858 6.724 1.00 0.00 C ATOM 564 CD2 TRP A 42 -6.361 14.093 4.789 1.00 0.00 C ATOM 565 NE1 TRP A 42 -4.658 15.211 5.723 1.00 0.00 N ATOM 566 CE2 TRP A 42 -5.144 14.753 4.527 1.00 0.00 C ATOM 567 CE3 TRP A 42 -7.064 13.528 3.722 1.00 0.00 C ATOM 568 CZ2 TRP A 42 -4.620 14.864 3.242 1.00 0.00 C ATOM 569 CZ3 TRP A 42 -6.542 13.638 2.448 1.00 0.00 C ATOM 570 CH2 TRP A 42 -5.330 14.301 2.216 1.00 0.00 C ATOM 0 H TRP A 42 -8.392 15.405 9.172 1.00 0.00 H new ATOM 0 HA TRP A 42 -9.118 15.157 6.342 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.404 13.173 7.887 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -8.203 12.804 6.371 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -5.400 15.090 7.771 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.789 15.730 5.850 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.999 13.014 3.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.687 15.376 3.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -7.078 13.205 1.616 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.948 14.369 1.208 1.00 0.00 H new ATOM 581 N ARG A 43 -10.736 13.170 7.019 1.00 0.00 N ATOM 582 CA ARG A 43 -11.934 12.459 7.449 1.00 0.00 C ATOM 583 C ARG A 43 -12.135 11.187 6.631 1.00 0.00 C ATOM 584 O ARG A 43 -12.195 11.228 5.402 1.00 0.00 O ATOM 585 CB ARG A 43 -13.163 13.361 7.318 1.00 0.00 C ATOM 586 CG ARG A 43 -13.412 14.232 8.538 1.00 0.00 C ATOM 587 CD ARG A 43 -14.535 15.229 8.291 1.00 0.00 C ATOM 588 NE ARG A 43 -14.986 15.861 9.528 1.00 0.00 N ATOM 589 CZ ARG A 43 -14.272 16.760 10.196 1.00 0.00 C ATOM 590 NH1 ARG A 43 -13.080 17.131 9.750 1.00 0.00 N ATOM 591 NH2 ARG A 43 -14.751 17.291 11.314 1.00 0.00 N ATOM 0 H ARG A 43 -10.468 12.997 6.050 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.805 12.181 8.495 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.042 14.001 6.444 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.041 12.740 7.140 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -13.664 13.602 9.391 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.499 14.768 8.797 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -14.193 15.996 7.596 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.374 14.720 7.817 1.00 0.00 H new ATOM 0 HE ARG A 43 -15.899 15.598 9.899 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.708 16.726 8.891 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.535 17.822 10.266 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -15.668 17.009 11.661 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.202 17.981 11.827 1.00 0.00 H new ATOM 605 N LYS A 44 -12.236 10.056 7.322 1.00 0.00 N ATOM 606 CA LYS A 44 -12.430 8.771 6.661 1.00 0.00 C ATOM 607 C LYS A 44 -13.865 8.282 6.833 1.00 0.00 C ATOM 608 O LYS A 44 -14.308 8.005 7.948 1.00 0.00 O ATOM 609 CB LYS A 44 -11.456 7.733 7.224 1.00 0.00 C ATOM 610 CG LYS A 44 -11.356 6.473 6.381 1.00 0.00 C ATOM 611 CD LYS A 44 -10.772 5.316 7.174 1.00 0.00 C ATOM 612 CE LYS A 44 -10.023 4.345 6.274 1.00 0.00 C ATOM 613 NZ LYS A 44 -8.908 3.670 6.994 1.00 0.00 N ATOM 0 H LYS A 44 -12.187 10.004 8.339 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.235 8.905 5.597 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.467 8.183 7.308 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.770 7.462 8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.345 6.201 6.014 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.734 6.667 5.507 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.096 5.701 7.937 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.572 4.789 7.693 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.716 3.595 5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.627 4.881 5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.422 3.017 6.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.233 4.384 7.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.289 3.138 7.802 1.00 0.00 H new ATOM 627 N ASP A 45 -14.586 8.177 5.722 1.00 0.00 N ATOM 628 CA ASP A 45 -15.970 7.719 5.750 1.00 0.00 C ATOM 629 C ASP A 45 -16.761 8.442 6.835 1.00 0.00 C ATOM 630 O ASP A 45 -17.521 7.825 7.580 1.00 0.00 O ATOM 631 CB ASP A 45 -16.026 6.208 5.982 1.00 0.00 C ATOM 632 CG ASP A 45 -15.301 5.429 4.902 1.00 0.00 C ATOM 633 OD1 ASP A 45 -14.063 5.561 4.805 1.00 0.00 O ATOM 634 OD2 ASP A 45 -15.972 4.688 4.154 1.00 0.00 O ATOM 0 H ASP A 45 -14.235 8.403 4.791 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.421 7.947 4.784 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.585 5.976 6.951 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -17.067 5.888 6.020 1.00 0.00 H new ATOM 639 N GLY A 46 -16.574 9.756 6.921 1.00 0.00 N ATOM 640 CA GLY A 46 -17.275 10.542 7.919 1.00 0.00 C ATOM 641 C GLY A 46 -16.751 10.299 9.321 1.00 0.00 C ATOM 642 O GLY A 46 -17.517 10.292 10.285 1.00 0.00 O ATOM 0 H GLY A 46 -15.949 10.290 6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -17.179 11.600 7.677 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.338 10.302 7.885 1.00 0.00 H new ATOM 646 N VAL A 47 -15.442 10.098 9.435 1.00 0.00 N ATOM 647 CA VAL A 47 -14.816 9.853 10.729 1.00 0.00 C ATOM 648 C VAL A 47 -13.493 10.600 10.849 1.00 0.00 C ATOM 649 O VAL A 47 -12.747 10.725 9.877 1.00 0.00 O ATOM 650 CB VAL A 47 -14.567 8.350 10.956 1.00 0.00 C ATOM 651 CG1 VAL A 47 -13.850 8.122 12.278 1.00 0.00 C ATOM 652 CG2 VAL A 47 -15.879 7.580 10.912 1.00 0.00 C ATOM 0 H VAL A 47 -14.794 10.100 8.647 1.00 0.00 H new ATOM 0 HA VAL A 47 -15.506 10.218 11.489 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.928 7.980 10.154 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.682 7.055 12.422 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.892 8.641 12.267 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -14.461 8.506 13.094 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.684 6.520 11.074 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -16.544 7.950 11.692 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -16.349 7.718 9.938 1.00 0.00 H new ATOM 662 N LEU A 48 -13.207 11.096 12.048 1.00 0.00 N ATOM 663 CA LEU A 48 -11.972 11.831 12.298 1.00 0.00 C ATOM 664 C LEU A 48 -10.766 10.898 12.263 1.00 0.00 C ATOM 665 O LEU A 48 -10.576 10.078 13.161 1.00 0.00 O ATOM 666 CB LEU A 48 -12.043 12.542 13.650 1.00 0.00 C ATOM 667 CG LEU A 48 -12.641 13.949 13.639 1.00 0.00 C ATOM 668 CD1 LEU A 48 -11.848 14.859 12.713 1.00 0.00 C ATOM 669 CD2 LEU A 48 -14.104 13.904 13.221 1.00 0.00 C ATOM 0 H LEU A 48 -13.814 11.002 12.862 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.855 12.575 11.510 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.629 11.925 14.332 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.035 12.601 14.060 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.585 14.355 14.649 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.288 15.856 12.718 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.815 14.917 13.056 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.872 14.457 11.700 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.513 14.914 13.219 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.184 13.478 12.221 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.664 13.287 13.924 1.00 0.00 H new ATOM 681 N VAL A 49 -9.952 11.030 11.220 1.00 0.00 N ATOM 682 CA VAL A 49 -8.762 10.201 11.070 1.00 0.00 C ATOM 683 C VAL A 49 -8.119 9.912 12.421 1.00 0.00 C ATOM 684 O VAL A 49 -7.993 10.802 13.263 1.00 0.00 O ATOM 685 CB VAL A 49 -7.723 10.873 10.152 1.00 0.00 C ATOM 686 CG1 VAL A 49 -6.479 10.007 10.031 1.00 0.00 C ATOM 687 CG2 VAL A 49 -8.323 11.152 8.782 1.00 0.00 C ATOM 0 H VAL A 49 -10.095 11.703 10.467 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.084 9.263 10.617 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.433 11.825 10.597 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.756 10.497 9.379 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.038 9.863 11.018 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.749 9.039 9.610 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.575 11.627 8.147 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.643 10.215 8.327 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.182 11.815 8.889 1.00 0.00 H new ATOM 697 N SER A 50 -7.714 8.663 12.623 1.00 0.00 N ATOM 698 CA SER A 50 -7.086 8.255 13.874 1.00 0.00 C ATOM 699 C SER A 50 -5.566 8.262 13.747 1.00 0.00 C ATOM 700 O SER A 50 -4.956 7.258 13.376 1.00 0.00 O ATOM 701 CB SER A 50 -7.568 6.861 14.281 1.00 0.00 C ATOM 702 OG SER A 50 -8.723 6.939 15.098 1.00 0.00 O ATOM 0 H SER A 50 -7.810 7.915 11.936 1.00 0.00 H new ATOM 0 HA SER A 50 -7.372 8.970 14.645 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.789 6.274 13.389 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.774 6.340 14.817 1.00 0.00 H new ATOM 0 HG SER A 50 -9.012 6.035 15.343 1.00 0.00 H new ATOM 708 N THR A 51 -4.958 9.403 14.058 1.00 0.00 N ATOM 709 CA THR A 51 -3.509 9.543 13.978 1.00 0.00 C ATOM 710 C THR A 51 -2.828 8.906 15.183 1.00 0.00 C ATOM 711 O THR A 51 -1.928 9.495 15.782 1.00 0.00 O ATOM 712 CB THR A 51 -3.092 11.024 13.891 1.00 0.00 C ATOM 713 OG1 THR A 51 -3.797 11.790 14.873 1.00 0.00 O ATOM 714 CG2 THR A 51 -3.374 11.584 12.505 1.00 0.00 C ATOM 0 H THR A 51 -5.447 10.243 14.368 1.00 0.00 H new ATOM 0 HA THR A 51 -3.191 9.029 13.071 1.00 0.00 H new ATOM 0 HB THR A 51 -2.021 11.089 14.081 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.525 12.730 14.812 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.072 12.631 12.467 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.813 11.017 11.762 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.440 11.506 12.291 1.00 0.00 H new ATOM 722 N GLN A 52 -3.261 7.699 15.532 1.00 0.00 N ATOM 723 CA GLN A 52 -2.691 6.982 16.667 1.00 0.00 C ATOM 724 C GLN A 52 -1.959 5.726 16.205 1.00 0.00 C ATOM 725 O GLN A 52 -1.035 5.255 16.868 1.00 0.00 O ATOM 726 CB GLN A 52 -3.789 6.609 17.665 1.00 0.00 C ATOM 727 CG GLN A 52 -4.827 5.653 17.099 1.00 0.00 C ATOM 728 CD GLN A 52 -5.915 5.314 18.098 1.00 0.00 C ATOM 729 OE1 GLN A 52 -6.876 6.066 18.266 1.00 0.00 O ATOM 730 NE2 GLN A 52 -5.770 4.178 18.770 1.00 0.00 N ATOM 0 H GLN A 52 -4.004 7.197 15.046 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.973 7.640 17.157 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.331 6.156 18.544 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.289 7.518 17.999 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.279 6.097 16.212 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.334 4.735 16.779 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.958 3.585 18.599 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.471 3.899 19.457 1.00 0.00 H new ATOM 739 N ASP A 53 -2.380 5.187 15.065 1.00 0.00 N ATOM 740 CA ASP A 53 -1.764 3.986 14.514 1.00 0.00 C ATOM 741 C ASP A 53 -0.529 4.337 13.691 1.00 0.00 C ATOM 742 O ASP A 53 -0.617 5.061 12.699 1.00 0.00 O ATOM 743 CB ASP A 53 -2.768 3.223 13.650 1.00 0.00 C ATOM 744 CG ASP A 53 -2.508 1.729 13.642 1.00 0.00 C ATOM 745 OD1 ASP A 53 -1.387 1.324 13.267 1.00 0.00 O ATOM 746 OD2 ASP A 53 -3.424 0.965 14.010 1.00 0.00 O ATOM 0 H ASP A 53 -3.145 5.563 14.505 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.456 3.352 15.345 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.777 3.411 14.018 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.726 3.602 12.629 1.00 0.00 H new ATOM 751 N SER A 54 0.622 3.821 14.109 1.00 0.00 N ATOM 752 CA SER A 54 1.876 4.084 13.413 1.00 0.00 C ATOM 753 C SER A 54 1.660 4.131 11.903 1.00 0.00 C ATOM 754 O SER A 54 2.351 4.858 11.189 1.00 0.00 O ATOM 755 CB SER A 54 2.910 3.010 13.758 1.00 0.00 C ATOM 756 OG SER A 54 4.220 3.439 13.427 1.00 0.00 O ATOM 0 H SER A 54 0.712 3.218 14.927 1.00 0.00 H new ATOM 0 HA SER A 54 2.248 5.055 13.740 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.858 2.778 14.822 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.678 2.091 13.220 1.00 0.00 H new ATOM 0 HG SER A 54 4.863 2.736 13.658 1.00 0.00 H new ATOM 762 N ARG A 55 0.696 3.352 11.425 1.00 0.00 N ATOM 763 CA ARG A 55 0.388 3.303 10.001 1.00 0.00 C ATOM 764 C ARG A 55 0.120 4.702 9.455 1.00 0.00 C ATOM 765 O ARG A 55 0.678 5.097 8.430 1.00 0.00 O ATOM 766 CB ARG A 55 -0.825 2.405 9.750 1.00 0.00 C ATOM 767 CG ARG A 55 -0.609 0.960 10.169 1.00 0.00 C ATOM 768 CD ARG A 55 -1.692 0.050 9.609 1.00 0.00 C ATOM 769 NE ARG A 55 -2.919 0.109 10.398 1.00 0.00 N ATOM 770 CZ ARG A 55 -3.863 1.027 10.221 1.00 0.00 C ATOM 771 NH1 ARG A 55 -3.721 1.957 9.287 1.00 0.00 N ATOM 772 NH2 ARG A 55 -4.952 1.015 10.980 1.00 0.00 N ATOM 0 H ARG A 55 0.114 2.746 12.003 1.00 0.00 H new ATOM 0 HA ARG A 55 1.252 2.888 9.482 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.682 2.807 10.290 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.075 2.434 8.689 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.367 0.622 9.822 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.602 0.893 11.257 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.909 0.336 8.580 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.326 -0.976 9.584 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.059 -0.593 11.125 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.885 1.969 8.702 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.447 2.661 9.153 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.064 0.301 11.700 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.676 1.720 10.844 1.00 0.00 H new ATOM 786 N ILE A 56 -0.737 5.447 10.144 1.00 0.00 N ATOM 787 CA ILE A 56 -1.079 6.802 9.729 1.00 0.00 C ATOM 788 C ILE A 56 -0.251 7.834 10.487 1.00 0.00 C ATOM 789 O ILE A 56 -0.268 7.878 11.717 1.00 0.00 O ATOM 790 CB ILE A 56 -2.574 7.098 9.947 1.00 0.00 C ATOM 791 CG1 ILE A 56 -3.431 6.170 9.084 1.00 0.00 C ATOM 792 CG2 ILE A 56 -2.877 8.555 9.630 1.00 0.00 C ATOM 793 CD1 ILE A 56 -3.802 4.875 9.773 1.00 0.00 C ATOM 0 H ILE A 56 -1.208 5.135 10.993 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.856 6.872 8.664 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.817 6.916 10.994 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.343 6.694 8.797 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.892 5.941 8.165 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.938 8.749 9.789 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.289 9.199 10.283 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.622 8.762 8.591 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.409 4.267 9.102 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.895 4.330 10.036 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.369 5.094 10.678 1.00 0.00 H new ATOM 805 N LYS A 57 0.471 8.667 9.744 1.00 0.00 N ATOM 806 CA LYS A 57 1.303 9.702 10.345 1.00 0.00 C ATOM 807 C LYS A 57 1.332 10.952 9.470 1.00 0.00 C ATOM 808 O LYS A 57 1.189 10.869 8.251 1.00 0.00 O ATOM 809 CB LYS A 57 2.727 9.182 10.557 1.00 0.00 C ATOM 810 CG LYS A 57 3.689 10.238 11.074 1.00 0.00 C ATOM 811 CD LYS A 57 4.815 9.617 11.883 1.00 0.00 C ATOM 812 CE LYS A 57 6.084 10.451 11.803 1.00 0.00 C ATOM 813 NZ LYS A 57 7.203 9.833 12.567 1.00 0.00 N ATOM 0 H LYS A 57 0.496 8.645 8.725 1.00 0.00 H new ATOM 0 HA LYS A 57 0.872 9.965 11.311 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.700 8.351 11.261 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.105 8.788 9.614 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.106 10.794 10.234 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.147 10.954 11.692 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.506 9.521 12.924 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.016 8.611 11.516 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.377 10.567 10.760 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.887 11.450 12.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.050 10.432 12.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.933 9.745 13.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.408 8.890 12.180 1.00 0.00 H new ATOM 827 N GLN A 58 1.519 12.106 10.101 1.00 0.00 N ATOM 828 CA GLN A 58 1.567 13.372 9.379 1.00 0.00 C ATOM 829 C GLN A 58 3.002 13.873 9.255 1.00 0.00 C ATOM 830 O GLN A 58 3.546 14.469 10.186 1.00 0.00 O ATOM 831 CB GLN A 58 0.708 14.421 10.088 1.00 0.00 C ATOM 832 CG GLN A 58 -0.749 14.407 9.655 1.00 0.00 C ATOM 833 CD GLN A 58 -1.508 15.634 10.120 1.00 0.00 C ATOM 834 OE1 GLN A 58 -0.949 16.510 10.781 1.00 0.00 O ATOM 835 NE2 GLN A 58 -2.789 15.704 9.776 1.00 0.00 N ATOM 0 H GLN A 58 1.640 12.191 11.110 1.00 0.00 H new ATOM 0 HA GLN A 58 1.171 13.205 8.377 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.760 14.255 11.164 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.126 15.410 9.898 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.800 14.343 8.568 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.233 13.514 10.050 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.211 14.955 9.227 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.350 16.507 10.060 1.00 0.00 H new ATOM 844 N LEU A 59 3.611 13.628 8.100 1.00 0.00 N ATOM 845 CA LEU A 59 4.984 14.054 7.853 1.00 0.00 C ATOM 846 C LEU A 59 5.074 15.574 7.759 1.00 0.00 C ATOM 847 O LEU A 59 5.978 16.187 8.327 1.00 0.00 O ATOM 848 CB LEU A 59 5.512 13.420 6.565 1.00 0.00 C ATOM 849 CG LEU A 59 5.386 11.900 6.464 1.00 0.00 C ATOM 850 CD1 LEU A 59 5.682 11.250 7.807 1.00 0.00 C ATOM 851 CD2 LEU A 59 3.998 11.511 5.976 1.00 0.00 C ATOM 0 H LEU A 59 3.175 13.136 7.320 1.00 0.00 H new ATOM 0 HA LEU A 59 5.597 13.723 8.691 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.984 13.865 5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.564 13.685 6.458 1.00 0.00 H new ATOM 0 HG LEU A 59 6.118 11.541 5.740 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.588 10.168 7.716 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.696 11.501 8.117 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.974 11.615 8.552 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.926 10.425 5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.249 11.882 6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.823 11.946 4.992 1.00 0.00 H new ATOM 863 N GLU A 60 4.130 16.175 7.042 1.00 0.00 N ATOM 864 CA GLU A 60 4.103 17.623 6.876 1.00 0.00 C ATOM 865 C GLU A 60 2.669 18.144 6.875 1.00 0.00 C ATOM 866 O GLU A 60 1.715 17.367 6.904 1.00 0.00 O ATOM 867 CB GLU A 60 4.803 18.023 5.575 1.00 0.00 C ATOM 868 CG GLU A 60 6.165 17.375 5.393 1.00 0.00 C ATOM 869 CD GLU A 60 7.108 18.222 4.560 1.00 0.00 C ATOM 870 OE1 GLU A 60 6.896 19.451 4.493 1.00 0.00 O ATOM 871 OE2 GLU A 60 8.055 17.657 3.976 1.00 0.00 O ATOM 0 H GLU A 60 3.374 15.682 6.567 1.00 0.00 H new ATOM 0 HA GLU A 60 4.633 18.069 7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.166 17.754 4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.920 19.107 5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.612 17.196 6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.040 16.402 4.917 1.00 0.00 H new ATOM 878 N ASN A 61 2.525 19.465 6.842 1.00 0.00 N ATOM 879 CA ASN A 61 1.208 20.090 6.838 1.00 0.00 C ATOM 880 C ASN A 61 0.395 19.640 5.628 1.00 0.00 C ATOM 881 O ASN A 61 0.603 20.119 4.514 1.00 0.00 O ATOM 882 CB ASN A 61 1.344 21.614 6.837 1.00 0.00 C ATOM 883 CG ASN A 61 2.582 22.083 6.097 1.00 0.00 C ATOM 884 OD1 ASN A 61 3.685 22.076 6.643 1.00 0.00 O ATOM 885 ND2 ASN A 61 2.403 22.495 4.847 1.00 0.00 N ATOM 0 H ASN A 61 3.304 20.123 6.818 1.00 0.00 H new ATOM 0 HA ASN A 61 0.683 19.779 7.741 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.460 22.055 6.376 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.381 21.974 7.865 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.198 22.823 4.299 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.470 22.483 4.435 1.00 0.00 H new ATOM 892 N GLY A 62 -0.534 18.716 5.857 1.00 0.00 N ATOM 893 CA GLY A 62 -1.365 18.217 4.776 1.00 0.00 C ATOM 894 C GLY A 62 -0.863 16.899 4.220 1.00 0.00 C ATOM 895 O GLY A 62 -1.641 16.101 3.697 1.00 0.00 O ATOM 0 H GLY A 62 -0.726 18.305 6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.386 18.091 5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.398 18.956 3.976 1.00 0.00 H new ATOM 899 N VAL A 63 0.442 16.670 4.332 1.00 0.00 N ATOM 900 CA VAL A 63 1.047 15.440 3.835 1.00 0.00 C ATOM 901 C VAL A 63 0.789 14.277 4.787 1.00 0.00 C ATOM 902 O VAL A 63 1.392 14.191 5.858 1.00 0.00 O ATOM 903 CB VAL A 63 2.566 15.601 3.640 1.00 0.00 C ATOM 904 CG1 VAL A 63 3.142 14.396 2.912 1.00 0.00 C ATOM 905 CG2 VAL A 63 2.873 16.887 2.886 1.00 0.00 C ATOM 0 H VAL A 63 1.100 17.320 4.762 1.00 0.00 H new ATOM 0 HA VAL A 63 0.585 15.227 2.871 1.00 0.00 H new ATOM 0 HB VAL A 63 3.036 15.661 4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.216 14.528 2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.954 13.495 3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.669 14.301 1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.951 16.985 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.392 16.859 1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.497 17.739 3.452 1.00 0.00 H new ATOM 915 N LEU A 64 -0.111 13.384 4.390 1.00 0.00 N ATOM 916 CA LEU A 64 -0.450 12.224 5.208 1.00 0.00 C ATOM 917 C LEU A 64 -0.119 10.927 4.476 1.00 0.00 C ATOM 918 O LEU A 64 -0.660 10.653 3.406 1.00 0.00 O ATOM 919 CB LEU A 64 -1.934 12.252 5.576 1.00 0.00 C ATOM 920 CG LEU A 64 -2.404 11.168 6.547 1.00 0.00 C ATOM 921 CD1 LEU A 64 -2.231 11.629 7.986 1.00 0.00 C ATOM 922 CD2 LEU A 64 -3.856 10.801 6.274 1.00 0.00 C ATOM 0 H LEU A 64 -0.619 13.441 3.507 1.00 0.00 H new ATOM 0 HA LEU A 64 0.145 12.266 6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.162 13.225 6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.517 12.168 4.659 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.790 10.280 6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.571 10.845 8.663 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.179 11.842 8.176 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.819 12.531 8.152 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.174 10.028 6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.484 11.683 6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.951 10.428 5.254 1.00 0.00 H new ATOM 934 N GLN A 65 0.771 10.133 5.063 1.00 0.00 N ATOM 935 CA GLN A 65 1.171 8.864 4.468 1.00 0.00 C ATOM 936 C GLN A 65 0.620 7.689 5.268 1.00 0.00 C ATOM 937 O GLN A 65 0.725 7.658 6.495 1.00 0.00 O ATOM 938 CB GLN A 65 2.696 8.773 4.389 1.00 0.00 C ATOM 939 CG GLN A 65 3.194 7.547 3.641 1.00 0.00 C ATOM 940 CD GLN A 65 4.574 7.108 4.091 1.00 0.00 C ATOM 941 OE1 GLN A 65 4.714 6.172 4.880 1.00 0.00 O ATOM 942 NE2 GLN A 65 5.602 7.784 3.593 1.00 0.00 N ATOM 0 H GLN A 65 1.228 10.346 5.949 1.00 0.00 H new ATOM 0 HA GLN A 65 0.758 8.818 3.460 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.080 9.668 3.900 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.104 8.762 5.400 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.491 6.727 3.787 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.216 7.762 2.573 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.440 8.552 2.942 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.554 7.535 3.861 1.00 0.00 H new ATOM 951 N ILE A 66 0.034 6.725 4.567 1.00 0.00 N ATOM 952 CA ILE A 66 -0.533 5.547 5.213 1.00 0.00 C ATOM 953 C ILE A 66 0.055 4.266 4.633 1.00 0.00 C ATOM 954 O ILE A 66 -0.240 3.894 3.497 1.00 0.00 O ATOM 955 CB ILE A 66 -2.065 5.508 5.067 1.00 0.00 C ATOM 956 CG1 ILE A 66 -2.690 6.767 5.671 1.00 0.00 C ATOM 957 CG2 ILE A 66 -2.628 4.260 5.730 1.00 0.00 C ATOM 958 CD1 ILE A 66 -2.815 7.911 4.689 1.00 0.00 C ATOM 0 H ILE A 66 -0.061 6.736 3.551 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.279 5.614 6.271 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.313 5.476 4.006 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.679 6.522 6.058 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.087 7.091 6.519 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.712 4.246 5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.204 3.374 5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.372 4.264 6.790 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.266 8.770 5.186 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.826 8.183 4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.443 7.605 3.852 1.00 0.00 H new ATOM 970 N ARG A 67 0.888 3.593 5.421 1.00 0.00 N ATOM 971 CA ARG A 67 1.517 2.352 4.986 1.00 0.00 C ATOM 972 C ARG A 67 0.666 1.146 5.373 1.00 0.00 C ATOM 973 O ARG A 67 -0.168 1.226 6.275 1.00 0.00 O ATOM 974 CB ARG A 67 2.913 2.222 5.597 1.00 0.00 C ATOM 975 CG ARG A 67 3.977 3.021 4.863 1.00 0.00 C ATOM 976 CD ARG A 67 5.228 3.194 5.710 1.00 0.00 C ATOM 977 NE ARG A 67 6.174 2.098 5.519 1.00 0.00 N ATOM 978 CZ ARG A 67 7.454 2.162 5.869 1.00 0.00 C ATOM 979 NH1 ARG A 67 7.938 3.264 6.425 1.00 0.00 N ATOM 980 NH2 ARG A 67 8.252 1.122 5.663 1.00 0.00 N ATOM 0 H ARG A 67 1.143 3.887 6.364 1.00 0.00 H new ATOM 0 HA ARG A 67 1.604 2.379 3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.877 2.550 6.636 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.201 1.171 5.604 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.234 2.517 3.931 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.579 4.000 4.596 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.710 4.138 5.456 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.948 3.252 6.762 1.00 0.00 H new ATOM 0 HE ARG A 67 5.833 1.236 5.093 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.327 4.065 6.585 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.921 3.311 6.693 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.883 0.273 5.236 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.235 1.172 5.932 1.00 0.00 H new ATOM 994 N TYR A 68 0.883 0.031 4.685 1.00 0.00 N ATOM 995 CA TYR A 68 0.134 -1.191 4.954 1.00 0.00 C ATOM 996 C TYR A 68 -1.353 -0.991 4.678 1.00 0.00 C ATOM 997 O TYR A 68 -2.198 -1.293 5.520 1.00 0.00 O ATOM 998 CB TYR A 68 0.340 -1.631 6.405 1.00 0.00 C ATOM 999 CG TYR A 68 1.794 -1.746 6.802 1.00 0.00 C ATOM 1000 CD1 TYR A 68 2.533 -2.881 6.488 1.00 0.00 C ATOM 1001 CD2 TYR A 68 2.430 -0.720 7.489 1.00 0.00 C ATOM 1002 CE1 TYR A 68 3.862 -2.990 6.850 1.00 0.00 C ATOM 1003 CE2 TYR A 68 3.759 -0.820 7.854 1.00 0.00 C ATOM 1004 CZ TYR A 68 4.470 -1.958 7.532 1.00 0.00 C ATOM 1005 OH TYR A 68 5.794 -2.062 7.893 1.00 0.00 O ATOM 0 H TYR A 68 1.571 -0.052 3.937 1.00 0.00 H new ATOM 0 HA TYR A 68 0.507 -1.969 4.288 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.153 -0.918 7.066 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.147 -2.595 6.556 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.060 -3.691 5.952 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.876 0.172 7.742 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.422 -3.879 6.600 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.238 -0.013 8.388 1.00 0.00 H new ATOM 0 HH TYR A 68 6.069 -1.249 8.366 1.00 0.00 H new ATOM 1015 N ALA A 69 -1.664 -0.478 3.492 1.00 0.00 N ATOM 1016 CA ALA A 69 -3.048 -0.240 3.103 1.00 0.00 C ATOM 1017 C ALA A 69 -3.808 -1.552 2.941 1.00 0.00 C ATOM 1018 O ALA A 69 -3.653 -2.252 1.939 1.00 0.00 O ATOM 1019 CB ALA A 69 -3.102 0.566 1.813 1.00 0.00 C ATOM 0 H ALA A 69 -0.976 -0.219 2.784 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.529 0.331 3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.142 0.737 1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.604 1.524 1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.599 0.015 1.018 1.00 0.00 H new ATOM 1025 N LYS A 70 -4.628 -1.882 3.932 1.00 0.00 N ATOM 1026 CA LYS A 70 -5.413 -3.110 3.900 1.00 0.00 C ATOM 1027 C LYS A 70 -6.661 -2.937 3.041 1.00 0.00 C ATOM 1028 O LYS A 70 -7.001 -1.823 2.639 1.00 0.00 O ATOM 1029 CB LYS A 70 -5.811 -3.523 5.319 1.00 0.00 C ATOM 1030 CG LYS A 70 -4.641 -3.580 6.286 1.00 0.00 C ATOM 1031 CD LYS A 70 -5.077 -3.271 7.709 1.00 0.00 C ATOM 1032 CE LYS A 70 -4.177 -3.952 8.728 1.00 0.00 C ATOM 1033 NZ LYS A 70 -4.589 -5.360 8.980 1.00 0.00 N ATOM 0 H LYS A 70 -4.767 -1.315 4.769 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.796 -3.893 3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.552 -2.819 5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.290 -4.502 5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.187 -4.570 6.251 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.877 -2.867 5.976 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.060 -2.193 7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.106 -3.599 7.855 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.147 -3.933 8.372 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.201 -3.394 9.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.950 -5.789 9.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.563 -5.377 9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.542 -5.900 8.092 1.00 0.00 H new ATOM 1047 N LEU A 71 -7.342 -4.043 2.764 1.00 0.00 N ATOM 1048 CA LEU A 71 -8.555 -4.013 1.954 1.00 0.00 C ATOM 1049 C LEU A 71 -9.658 -3.227 2.655 1.00 0.00 C ATOM 1050 O LEU A 71 -10.477 -2.576 2.008 1.00 0.00 O ATOM 1051 CB LEU A 71 -9.033 -5.437 1.663 1.00 0.00 C ATOM 1052 CG LEU A 71 -8.175 -6.248 0.692 1.00 0.00 C ATOM 1053 CD1 LEU A 71 -8.555 -7.719 0.745 1.00 0.00 C ATOM 1054 CD2 LEU A 71 -8.318 -5.708 -0.724 1.00 0.00 C ATOM 0 H LEU A 71 -7.075 -4.972 3.088 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.322 -3.515 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.090 -5.980 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.046 -5.384 1.264 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.131 -6.153 0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.934 -8.281 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.400 -8.099 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.604 -7.834 0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.700 -6.297 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.361 -5.772 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.995 -4.667 -0.751 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.672 -3.291 3.983 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.678 -2.579 4.750 1.00 0.00 C ATOM 1068 C GLY A 72 -10.439 -1.082 4.769 1.00 0.00 C ATOM 1069 O GLY A 72 -11.358 -0.303 5.025 1.00 0.00 O ATOM 0 H GLY A 72 -9.005 -3.823 4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.663 -2.782 4.329 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.685 -2.956 5.773 1.00 0.00 H new ATOM 1073 N ASP A 73 -9.203 -0.678 4.501 1.00 0.00 N ATOM 1074 CA ASP A 73 -8.846 0.736 4.489 1.00 0.00 C ATOM 1075 C ASP A 73 -9.592 1.476 3.384 1.00 0.00 C ATOM 1076 O ASP A 73 -9.959 2.641 3.539 1.00 0.00 O ATOM 1077 CB ASP A 73 -7.337 0.902 4.302 1.00 0.00 C ATOM 1078 CG ASP A 73 -6.565 0.665 5.585 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -6.798 -0.375 6.235 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -5.728 1.521 5.941 1.00 0.00 O ATOM 0 H ASP A 73 -8.431 -1.310 4.289 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.135 1.166 5.448 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.990 0.206 3.539 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.128 1.907 3.936 1.00 0.00 H new ATOM 1085 N THR A 74 -9.813 0.792 2.265 1.00 0.00 N ATOM 1086 CA THR A 74 -10.513 1.385 1.133 1.00 0.00 C ATOM 1087 C THR A 74 -11.590 2.358 1.600 1.00 0.00 C ATOM 1088 O THR A 74 -12.665 1.947 2.034 1.00 0.00 O ATOM 1089 CB THR A 74 -11.163 0.305 0.246 1.00 0.00 C ATOM 1090 OG1 THR A 74 -10.158 -0.578 -0.265 1.00 0.00 O ATOM 1091 CG2 THR A 74 -11.924 0.939 -0.908 1.00 0.00 C ATOM 0 H THR A 74 -9.517 -0.173 2.119 1.00 0.00 H new ATOM 0 HA THR A 74 -9.768 1.925 0.549 1.00 0.00 H new ATOM 0 HB THR A 74 -11.867 -0.261 0.856 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.066 -1.350 0.332 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.374 0.157 -1.520 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.707 1.588 -0.515 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.237 1.527 -1.517 1.00 0.00 H new ATOM 1099 N GLY A 75 -11.293 3.651 1.507 1.00 0.00 N ATOM 1100 CA GLY A 75 -12.247 4.662 1.923 1.00 0.00 C ATOM 1101 C GLY A 75 -12.080 5.963 1.164 1.00 0.00 C ATOM 1102 O GLY A 75 -11.285 6.046 0.227 1.00 0.00 O ATOM 0 H GLY A 75 -10.409 4.016 1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.259 4.285 1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.130 4.850 2.990 1.00 0.00 H new ATOM 1106 N ARG A 76 -12.833 6.982 1.567 1.00 0.00 N ATOM 1107 CA ARG A 76 -12.767 8.285 0.915 1.00 0.00 C ATOM 1108 C ARG A 76 -11.961 9.272 1.755 1.00 0.00 C ATOM 1109 O ARG A 76 -12.429 9.751 2.788 1.00 0.00 O ATOM 1110 CB ARG A 76 -14.176 8.832 0.678 1.00 0.00 C ATOM 1111 CG ARG A 76 -15.159 8.482 1.783 1.00 0.00 C ATOM 1112 CD ARG A 76 -15.868 7.166 1.502 1.00 0.00 C ATOM 1113 NE ARG A 76 -17.182 7.107 2.135 1.00 0.00 N ATOM 1114 CZ ARG A 76 -18.057 6.129 1.922 1.00 0.00 C ATOM 1115 NH1 ARG A 76 -17.757 5.135 1.098 1.00 0.00 N ATOM 1116 NH2 ARG A 76 -19.233 6.145 2.536 1.00 0.00 N ATOM 0 H ARG A 76 -13.495 6.930 2.341 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.267 8.159 -0.046 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.124 9.916 0.580 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.553 8.444 -0.268 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.631 8.416 2.734 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -15.896 9.279 1.882 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -15.978 7.036 0.425 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -15.255 6.340 1.862 1.00 0.00 H new ATOM 0 HE ARG A 76 -17.443 7.857 2.775 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -16.853 5.119 0.626 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -18.430 4.386 0.936 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -19.466 6.908 3.172 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -19.904 5.394 2.372 1.00 0.00 H new ATOM 1130 N TYR A 77 -10.748 9.572 1.304 1.00 0.00 N ATOM 1131 CA TYR A 77 -9.876 10.500 2.014 1.00 0.00 C ATOM 1132 C TYR A 77 -10.069 11.926 1.507 1.00 0.00 C ATOM 1133 O TYR A 77 -9.992 12.187 0.306 1.00 0.00 O ATOM 1134 CB TYR A 77 -8.414 10.083 1.853 1.00 0.00 C ATOM 1135 CG TYR A 77 -8.061 8.813 2.595 1.00 0.00 C ATOM 1136 CD1 TYR A 77 -8.677 7.608 2.281 1.00 0.00 C ATOM 1137 CD2 TYR A 77 -7.112 8.819 3.610 1.00 0.00 C ATOM 1138 CE1 TYR A 77 -8.359 6.446 2.956 1.00 0.00 C ATOM 1139 CE2 TYR A 77 -6.787 7.661 4.290 1.00 0.00 C ATOM 1140 CZ TYR A 77 -7.413 6.477 3.959 1.00 0.00 C ATOM 1141 OH TYR A 77 -7.092 5.322 4.635 1.00 0.00 O ATOM 0 H TYR A 77 -10.346 9.186 0.450 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.141 10.471 3.071 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.198 9.947 0.793 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.773 10.891 2.207 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.417 7.580 1.495 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.620 9.744 3.872 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.848 5.518 2.700 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.047 7.683 5.076 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.408 5.517 5.309 1.00 0.00 H new ATOM 1151 N THR A 78 -10.320 12.847 2.432 1.00 0.00 N ATOM 1152 CA THR A 78 -10.524 14.247 2.081 1.00 0.00 C ATOM 1153 C THR A 78 -9.875 15.171 3.105 1.00 0.00 C ATOM 1154 O THR A 78 -9.859 14.876 4.300 1.00 0.00 O ATOM 1155 CB THR A 78 -12.023 14.587 1.977 1.00 0.00 C ATOM 1156 OG1 THR A 78 -12.556 14.082 0.747 1.00 0.00 O ATOM 1157 CG2 THR A 78 -12.243 16.090 2.052 1.00 0.00 C ATOM 0 H THR A 78 -10.387 12.648 3.430 1.00 0.00 H new ATOM 0 HA THR A 78 -10.055 14.401 1.109 1.00 0.00 H new ATOM 0 HB THR A 78 -12.539 14.118 2.815 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.428 14.746 0.038 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.309 16.306 1.976 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.863 16.466 3.002 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.715 16.576 1.232 1.00 0.00 H new ATOM 1165 N CYS A 79 -9.340 16.291 2.629 1.00 0.00 N ATOM 1166 CA CYS A 79 -8.689 17.259 3.503 1.00 0.00 C ATOM 1167 C CYS A 79 -9.659 18.367 3.905 1.00 0.00 C ATOM 1168 O CYS A 79 -10.607 18.669 3.180 1.00 0.00 O ATOM 1169 CB CYS A 79 -7.468 17.864 2.808 1.00 0.00 C ATOM 1170 SG CYS A 79 -7.867 18.872 1.344 1.00 0.00 S ATOM 0 H CYS A 79 -9.345 16.550 1.642 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.366 16.738 4.404 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.925 18.481 3.524 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.797 17.058 2.509 1.00 0.00 H new ATOM 1175 N ILE A 80 -9.415 18.967 5.065 1.00 0.00 N ATOM 1176 CA ILE A 80 -10.265 20.041 5.563 1.00 0.00 C ATOM 1177 C ILE A 80 -9.430 21.192 6.114 1.00 0.00 C ATOM 1178 O ILE A 80 -8.499 20.981 6.891 1.00 0.00 O ATOM 1179 CB ILE A 80 -11.219 19.540 6.664 1.00 0.00 C ATOM 1180 CG1 ILE A 80 -11.884 18.231 6.235 1.00 0.00 C ATOM 1181 CG2 ILE A 80 -12.268 20.596 6.976 1.00 0.00 C ATOM 1182 CD1 ILE A 80 -11.090 16.999 6.606 1.00 0.00 C ATOM 0 H ILE A 80 -8.635 18.727 5.678 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.854 20.395 4.717 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.640 19.352 7.569 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.871 18.168 6.692 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.033 18.246 5.155 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.935 20.227 7.756 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.777 21.507 7.319 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.845 20.812 6.077 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.622 16.109 6.271 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.112 17.039 6.127 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.963 16.960 7.688 1.00 0.00 H new ATOM 1194 N ALA A 81 -9.772 22.411 5.709 1.00 0.00 N ATOM 1195 CA ALA A 81 -9.057 23.596 6.166 1.00 0.00 C ATOM 1196 C ALA A 81 -9.998 24.569 6.868 1.00 0.00 C ATOM 1197 O ALA A 81 -10.789 25.258 6.222 1.00 0.00 O ATOM 1198 CB ALA A 81 -8.366 24.279 4.995 1.00 0.00 C ATOM 0 H ALA A 81 -10.540 22.603 5.065 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.302 23.279 6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.836 25.163 5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.656 23.589 4.539 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.110 24.575 4.256 1.00 0.00 H new ATOM 1204 N SER A 82 -9.909 24.619 8.193 1.00 0.00 N ATOM 1205 CA SER A 82 -10.756 25.505 8.983 1.00 0.00 C ATOM 1206 C SER A 82 -10.089 26.863 9.179 1.00 0.00 C ATOM 1207 O SER A 82 -8.903 26.945 9.500 1.00 0.00 O ATOM 1208 CB SER A 82 -11.063 24.873 10.342 1.00 0.00 C ATOM 1209 OG SER A 82 -11.506 25.849 11.269 1.00 0.00 O ATOM 0 H SER A 82 -9.259 24.057 8.742 1.00 0.00 H new ATOM 0 HA SER A 82 -11.690 25.654 8.440 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.827 24.104 10.225 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.171 24.379 10.727 1.00 0.00 H new ATOM 0 HG SER A 82 -11.697 25.420 12.129 1.00 0.00 H new ATOM 1215 N THR A 83 -10.861 27.928 8.983 1.00 0.00 N ATOM 1216 CA THR A 83 -10.346 29.283 9.137 1.00 0.00 C ATOM 1217 C THR A 83 -11.406 30.211 9.718 1.00 0.00 C ATOM 1218 O THR A 83 -12.605 29.932 9.669 1.00 0.00 O ATOM 1219 CB THR A 83 -9.861 29.855 7.791 1.00 0.00 C ATOM 1220 OG1 THR A 83 -10.626 29.298 6.717 1.00 0.00 O ATOM 1221 CG2 THR A 83 -8.385 29.557 7.577 1.00 0.00 C ATOM 0 H THR A 83 -11.845 27.878 8.717 1.00 0.00 H new ATOM 0 HA THR A 83 -9.502 29.225 9.824 1.00 0.00 H new ATOM 0 HB THR A 83 -9.998 30.936 7.811 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.490 28.985 7.058 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.065 29.970 6.620 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.803 30.008 8.380 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.228 28.478 7.577 1.00 0.00 H new ATOM 1229 N PRO A 84 -10.958 31.343 10.282 1.00 0.00 N ATOM 1230 CA PRO A 84 -11.854 32.336 10.883 1.00 0.00 C ATOM 1231 C PRO A 84 -12.688 33.070 9.840 1.00 0.00 C ATOM 1232 O PRO A 84 -13.520 33.913 10.177 1.00 0.00 O ATOM 1233 CB PRO A 84 -10.893 33.304 11.579 1.00 0.00 C ATOM 1234 CG PRO A 84 -9.613 33.172 10.828 1.00 0.00 C ATOM 1235 CD PRO A 84 -9.544 31.740 10.376 1.00 0.00 C ATOM 0 HA PRO A 84 -12.580 31.878 11.555 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.268 34.327 11.545 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.764 33.046 12.630 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.588 33.852 9.976 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.762 33.423 11.461 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.036 31.646 9.416 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.999 31.120 11.088 1.00 0.00 H new ATOM 1243 N SER A 85 -12.460 32.746 8.571 1.00 0.00 N ATOM 1244 CA SER A 85 -13.189 33.378 7.478 1.00 0.00 C ATOM 1245 C SER A 85 -14.070 32.364 6.754 1.00 0.00 C ATOM 1246 O SER A 85 -15.074 32.723 6.140 1.00 0.00 O ATOM 1247 CB SER A 85 -12.213 34.020 6.490 1.00 0.00 C ATOM 1248 OG SER A 85 -11.402 34.989 7.131 1.00 0.00 O ATOM 0 H SER A 85 -11.776 32.050 8.275 1.00 0.00 H new ATOM 0 HA SER A 85 -13.829 34.152 7.901 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.582 33.250 6.045 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.768 34.487 5.677 1.00 0.00 H new ATOM 0 HG SER A 85 -10.786 35.383 6.479 1.00 0.00 H new ATOM 1254 N GLY A 86 -13.684 31.094 6.831 1.00 0.00 N ATOM 1255 CA GLY A 86 -14.448 30.046 6.179 1.00 0.00 C ATOM 1256 C GLY A 86 -13.743 28.705 6.216 1.00 0.00 C ATOM 1257 O GLY A 86 -12.946 28.441 7.116 1.00 0.00 O ATOM 0 H GLY A 86 -12.856 30.772 7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.420 29.955 6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.633 30.327 5.142 1.00 0.00 H new ATOM 1261 N GLU A 87 -14.037 27.855 5.237 1.00 0.00 N ATOM 1262 CA GLU A 87 -13.427 26.533 5.164 1.00 0.00 C ATOM 1263 C GLU A 87 -13.502 25.976 3.746 1.00 0.00 C ATOM 1264 O GLU A 87 -14.448 26.253 3.009 1.00 0.00 O ATOM 1265 CB GLU A 87 -14.115 25.574 6.138 1.00 0.00 C ATOM 1266 CG GLU A 87 -13.348 24.283 6.365 1.00 0.00 C ATOM 1267 CD GLU A 87 -14.254 23.121 6.725 1.00 0.00 C ATOM 1268 OE1 GLU A 87 -15.142 22.788 5.912 1.00 0.00 O ATOM 1269 OE2 GLU A 87 -14.077 22.547 7.819 1.00 0.00 O ATOM 0 H GLU A 87 -14.694 28.059 4.484 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.378 26.630 5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -14.252 26.078 7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.108 25.335 5.758 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.786 24.035 5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.621 24.432 7.163 1.00 0.00 H new ATOM 1276 N ALA A 88 -12.498 25.190 3.371 1.00 0.00 N ATOM 1277 CA ALA A 88 -12.451 24.593 2.042 1.00 0.00 C ATOM 1278 C ALA A 88 -11.931 23.161 2.102 1.00 0.00 C ATOM 1279 O ALA A 88 -10.903 22.887 2.722 1.00 0.00 O ATOM 1280 CB ALA A 88 -11.584 25.433 1.116 1.00 0.00 C ATOM 0 H ALA A 88 -11.707 24.952 3.969 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.466 24.567 1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.558 24.975 0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -12.000 26.438 1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -10.572 25.489 1.517 1.00 0.00 H new ATOM 1286 N THR A 89 -12.648 22.248 1.453 1.00 0.00 N ATOM 1287 CA THR A 89 -12.260 20.843 1.435 1.00 0.00 C ATOM 1288 C THR A 89 -11.943 20.379 0.017 1.00 0.00 C ATOM 1289 O THR A 89 -12.402 20.974 -0.958 1.00 0.00 O ATOM 1290 CB THR A 89 -13.366 19.947 2.021 1.00 0.00 C ATOM 1291 OG1 THR A 89 -14.493 19.918 1.138 1.00 0.00 O ATOM 1292 CG2 THR A 89 -13.800 20.448 3.390 1.00 0.00 C ATOM 0 H THR A 89 -13.500 22.457 0.933 1.00 0.00 H new ATOM 0 HA THR A 89 -11.366 20.754 2.052 1.00 0.00 H new ATOM 0 HB THR A 89 -12.966 18.939 2.131 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.191 19.344 1.517 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.582 19.799 3.784 1.00 0.00 H new ATOM 0 HG22 THR A 89 -12.946 20.440 4.068 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.183 21.465 3.301 1.00 0.00 H new ATOM 1300 N TRP A 90 -11.158 19.313 -0.089 1.00 0.00 N ATOM 1301 CA TRP A 90 -10.782 18.769 -1.389 1.00 0.00 C ATOM 1302 C TRP A 90 -11.346 17.365 -1.576 1.00 0.00 C ATOM 1303 O TRP A 90 -11.693 16.691 -0.605 1.00 0.00 O ATOM 1304 CB TRP A 90 -9.259 18.743 -1.532 1.00 0.00 C ATOM 1305 CG TRP A 90 -8.798 18.573 -2.948 1.00 0.00 C ATOM 1306 CD1 TRP A 90 -8.400 17.412 -3.547 1.00 0.00 C ATOM 1307 CD2 TRP A 90 -8.686 19.598 -3.942 1.00 0.00 C ATOM 1308 NE1 TRP A 90 -8.047 17.653 -4.853 1.00 0.00 N ATOM 1309 CE2 TRP A 90 -8.215 18.986 -5.120 1.00 0.00 C ATOM 1310 CE3 TRP A 90 -8.940 20.972 -3.952 1.00 0.00 C ATOM 1311 CZ2 TRP A 90 -7.992 19.702 -6.293 1.00 0.00 C ATOM 1312 CZ3 TRP A 90 -8.719 21.682 -5.116 1.00 0.00 C ATOM 1313 CH2 TRP A 90 -8.249 21.046 -6.274 1.00 0.00 C ATOM 0 H TRP A 90 -10.770 18.809 0.708 1.00 0.00 H new ATOM 0 HA TRP A 90 -11.202 19.414 -2.160 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -8.848 19.670 -1.132 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -8.858 17.930 -0.927 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -8.367 16.446 -3.065 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -7.714 16.953 -5.516 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -9.303 21.470 -3.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -7.629 19.214 -7.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -8.911 22.745 -5.135 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -8.087 21.629 -7.169 1.00 0.00 H new ATOM 1324 N SER A 91 -11.435 16.929 -2.828 1.00 0.00 N ATOM 1325 CA SER A 91 -11.961 15.605 -3.141 1.00 0.00 C ATOM 1326 C SER A 91 -10.832 14.641 -3.491 1.00 0.00 C ATOM 1327 O SER A 91 -9.911 14.988 -4.229 1.00 0.00 O ATOM 1328 CB SER A 91 -12.954 15.689 -4.303 1.00 0.00 C ATOM 1329 OG SER A 91 -12.295 16.018 -5.513 1.00 0.00 O ATOM 0 H SER A 91 -11.150 17.473 -3.642 1.00 0.00 H new ATOM 0 HA SER A 91 -12.477 15.228 -2.258 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.470 14.736 -4.414 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.714 16.439 -4.083 1.00 0.00 H new ATOM 0 HG SER A 91 -12.950 16.064 -6.240 1.00 0.00 H new ATOM 1335 N ALA A 92 -10.912 13.427 -2.955 1.00 0.00 N ATOM 1336 CA ALA A 92 -9.899 12.411 -3.211 1.00 0.00 C ATOM 1337 C ALA A 92 -10.372 11.036 -2.752 1.00 0.00 C ATOM 1338 O ALA A 92 -11.050 10.911 -1.732 1.00 0.00 O ATOM 1339 CB ALA A 92 -8.594 12.780 -2.520 1.00 0.00 C ATOM 0 H ALA A 92 -11.668 13.124 -2.341 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.728 12.367 -4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.847 12.012 -2.720 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.240 13.739 -2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.760 12.854 -1.445 1.00 0.00 H new ATOM 1345 N TYR A 93 -10.011 10.008 -3.511 1.00 0.00 N ATOM 1346 CA TYR A 93 -10.402 8.642 -3.183 1.00 0.00 C ATOM 1347 C TYR A 93 -9.232 7.680 -3.371 1.00 0.00 C ATOM 1348 O TYR A 93 -8.351 7.913 -4.199 1.00 0.00 O ATOM 1349 CB TYR A 93 -11.582 8.204 -4.053 1.00 0.00 C ATOM 1350 CG TYR A 93 -12.000 6.768 -3.827 1.00 0.00 C ATOM 1351 CD1 TYR A 93 -12.175 6.269 -2.542 1.00 0.00 C ATOM 1352 CD2 TYR A 93 -12.220 5.911 -4.898 1.00 0.00 C ATOM 1353 CE1 TYR A 93 -12.557 4.958 -2.331 1.00 0.00 C ATOM 1354 CE2 TYR A 93 -12.603 4.600 -4.697 1.00 0.00 C ATOM 1355 CZ TYR A 93 -12.770 4.128 -3.411 1.00 0.00 C ATOM 1356 OH TYR A 93 -13.151 2.821 -3.206 1.00 0.00 O ATOM 0 H TYR A 93 -9.448 10.094 -4.357 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.703 8.619 -2.136 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.432 8.857 -3.854 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.318 8.336 -5.102 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.010 6.917 -1.694 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.089 6.277 -5.906 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.688 4.586 -1.326 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.771 3.948 -5.541 1.00 0.00 H new ATOM 0 HH TYR A 93 -13.260 2.373 -4.071 1.00 0.00 H new ATOM 1366 N ILE A 94 -9.232 6.600 -2.598 1.00 0.00 N ATOM 1367 CA ILE A 94 -8.173 5.602 -2.680 1.00 0.00 C ATOM 1368 C ILE A 94 -8.749 4.191 -2.727 1.00 0.00 C ATOM 1369 O ILE A 94 -9.605 3.833 -1.919 1.00 0.00 O ATOM 1370 CB ILE A 94 -7.205 5.709 -1.487 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -6.534 7.084 -1.468 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -6.161 4.605 -1.551 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -5.668 7.350 -2.680 1.00 0.00 C ATOM 0 H ILE A 94 -9.954 6.393 -1.907 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.625 5.799 -3.601 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.774 5.591 -0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.303 7.854 -1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.923 7.169 -0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.484 4.694 -0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.656 3.634 -1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.594 4.694 -2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.224 8.342 -2.599 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.877 6.602 -2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.278 7.298 -3.582 1.00 0.00 H new ATOM 1385 N GLU A 95 -8.273 3.395 -3.679 1.00 0.00 N ATOM 1386 CA GLU A 95 -8.741 2.022 -3.831 1.00 0.00 C ATOM 1387 C GLU A 95 -7.620 1.030 -3.534 1.00 0.00 C ATOM 1388 O GLU A 95 -6.506 1.164 -4.041 1.00 0.00 O ATOM 1389 CB GLU A 95 -9.276 1.796 -5.246 1.00 0.00 C ATOM 1390 CG GLU A 95 -9.330 0.332 -5.650 1.00 0.00 C ATOM 1391 CD GLU A 95 -10.414 0.048 -6.672 1.00 0.00 C ATOM 1392 OE1 GLU A 95 -11.361 0.856 -6.771 1.00 0.00 O ATOM 1393 OE2 GLU A 95 -10.315 -0.981 -7.371 1.00 0.00 O ATOM 0 H GLU A 95 -7.564 3.677 -4.356 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.547 1.858 -3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.277 2.221 -5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.647 2.336 -5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.364 0.036 -6.059 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.502 -0.279 -4.764 1.00 0.00 H new ATOM 1400 N VAL A 96 -7.924 0.033 -2.709 1.00 0.00 N ATOM 1401 CA VAL A 96 -6.944 -0.983 -2.344 1.00 0.00 C ATOM 1402 C VAL A 96 -7.259 -2.316 -3.014 1.00 0.00 C ATOM 1403 O VAL A 96 -8.193 -3.014 -2.620 1.00 0.00 O ATOM 1404 CB VAL A 96 -6.889 -1.188 -0.819 1.00 0.00 C ATOM 1405 CG1 VAL A 96 -5.861 -2.251 -0.459 1.00 0.00 C ATOM 1406 CG2 VAL A 96 -6.578 0.125 -0.116 1.00 0.00 C ATOM 0 H VAL A 96 -8.841 -0.093 -2.281 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.974 -0.626 -2.690 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.866 -1.533 -0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.837 -2.382 0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.132 -3.195 -0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.877 -1.939 -0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.543 -0.038 0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.614 0.501 -0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.354 0.854 -0.347 1.00 0.00 H new ATOM 1416 N GLN A 97 -6.473 -2.663 -4.028 1.00 0.00 N ATOM 1417 CA GLN A 97 -6.669 -3.913 -4.753 1.00 0.00 C ATOM 1418 C GLN A 97 -5.701 -4.984 -4.263 1.00 0.00 C ATOM 1419 O GLN A 97 -4.559 -4.688 -3.911 1.00 0.00 O ATOM 1420 CB GLN A 97 -6.483 -3.690 -6.255 1.00 0.00 C ATOM 1421 CG GLN A 97 -5.131 -3.099 -6.620 1.00 0.00 C ATOM 1422 CD GLN A 97 -4.955 -2.923 -8.116 1.00 0.00 C ATOM 1423 OE1 GLN A 97 -5.733 -3.452 -8.910 1.00 0.00 O ATOM 1424 NE2 GLN A 97 -3.929 -2.176 -8.508 1.00 0.00 N ATOM 0 H GLN A 97 -5.695 -2.097 -4.366 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.687 -4.256 -4.567 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.606 -4.641 -6.773 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.269 -3.027 -6.615 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.017 -2.133 -6.128 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.341 -3.746 -6.239 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.309 -1.757 -7.815 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.761 -2.022 -9.502 1.00 0.00 H new ATOM 1433 N GLU A 98 -6.165 -6.229 -4.242 1.00 0.00 N ATOM 1434 CA GLU A 98 -5.339 -7.344 -3.792 1.00 0.00 C ATOM 1435 C GLU A 98 -4.431 -7.836 -4.916 1.00 0.00 C ATOM 1436 O GLU A 98 -4.792 -7.778 -6.091 1.00 0.00 O ATOM 1437 CB GLU A 98 -6.220 -8.492 -3.295 1.00 0.00 C ATOM 1438 CG GLU A 98 -5.438 -9.622 -2.647 1.00 0.00 C ATOM 1439 CD GLU A 98 -4.898 -10.613 -3.659 1.00 0.00 C ATOM 1440 OE1 GLU A 98 -5.666 -11.030 -4.551 1.00 0.00 O ATOM 1441 OE2 GLU A 98 -3.706 -10.972 -3.558 1.00 0.00 O ATOM 0 H GLU A 98 -7.107 -6.491 -4.531 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.715 -6.992 -2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.940 -8.101 -2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.791 -8.891 -4.134 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.609 -9.204 -2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.081 -10.145 -1.940 1.00 0.00 H new