USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 608 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 67 HIS : no HD1:sc= -1.18 X(o=-1.2,f=-0.7) USER MOD Set 1.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 58 ASN : amide:sc= -0.605 K(o=-1.8,f=-6.5!) USER MOD Set 2.2: A 77 CYS SG : rot 62:sc= -1.21 USER MOD Set 3.1: A 30 SER OG : rot -49:sc= 1.26 USER MOD Set 3.2: A 32 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 12 MET CE :methyl 179:sc= -0.842 (180deg=-0.855) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -109:sc= 0.598 (180deg=-0.00355) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot -166:sc= 0.0265 USER MOD Single : A 34 GLN : amide:sc= -3.78! C(o=-3.8!,f=-4.9!) USER MOD Single : A 37 LYS NZ :NH3+ 154:sc= -0.107 (180deg=-0.522) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 43 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.45) USER MOD Single : A 45 CYS SG : rot -69:sc= -2.43! USER MOD Single : A 49 CYS SG : rot 7:sc= 0.0128 USER MOD Single : A 59 GLN : amide:sc= -0.0307 K(o=-0.031,f=-1.4) USER MOD Single : A 60 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.001) USER MOD Single : A 61 ASN : amide:sc= 0.0282 K(o=0.028,f=-2.6) USER MOD Single : A 63 GLN : amide:sc= 0.199 X(o=0.2,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= -0.0853 (180deg=-0.347) USER MOD Single : A 81 SER OG : rot -160:sc= -0.246 USER MOD Single : A 83 THR OG1 : rot -150:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 11 -1.537 -0.650 -10.841 1.00 0.00 N ATOM 109 CA LEU A 11 -1.323 -1.627 -9.792 1.00 0.00 C ATOM 110 C LEU A 11 -0.964 -2.988 -10.416 1.00 0.00 C ATOM 111 O LEU A 11 -1.412 -3.301 -11.524 1.00 0.00 O ATOM 112 CB LEU A 11 -2.588 -1.741 -8.912 1.00 0.00 C ATOM 113 CG LEU A 11 -2.971 -0.541 -8.008 1.00 0.00 C ATOM 114 CD1 LEU A 11 -1.990 -0.334 -6.848 1.00 0.00 C ATOM 115 CD2 LEU A 11 -3.155 0.799 -8.732 1.00 0.00 C ATOM 0 HA LEU A 11 -0.495 -1.307 -9.160 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.433 -1.943 -9.571 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.468 -2.614 -8.271 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.948 -0.840 -7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.309 0.519 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.971 -1.228 -6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.992 -0.147 -7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.421 1.570 -8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.225 1.074 -9.230 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.950 0.706 -9.472 1.00 0.00 H new ATOM 127 N MET A 12 -0.268 -3.852 -9.670 1.00 0.00 N ATOM 128 CA MET A 12 0.107 -5.179 -10.135 1.00 0.00 C ATOM 129 C MET A 12 -1.027 -6.125 -9.815 1.00 0.00 C ATOM 130 O MET A 12 -1.672 -6.020 -8.772 1.00 0.00 O ATOM 131 CB MET A 12 1.309 -5.775 -9.382 1.00 0.00 C ATOM 132 CG MET A 12 2.668 -5.250 -9.819 1.00 0.00 C ATOM 133 SD MET A 12 4.027 -6.449 -9.697 1.00 0.00 S ATOM 134 CE MET A 12 3.905 -6.896 -7.947 1.00 0.00 C ATOM 0 H MET A 12 0.050 -3.644 -8.723 1.00 0.00 H new ATOM 0 HA MET A 12 0.342 -5.074 -11.194 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.185 -5.577 -8.317 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.297 -6.858 -9.509 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.595 -4.910 -10.852 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.916 -4.378 -9.213 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.663 -7.642 -7.708 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.063 -6.009 -7.333 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.916 -7.306 -7.744 1.00 0.00 H new ATOM 144 N THR A 13 -1.206 -7.091 -10.706 1.00 0.00 N ATOM 145 CA THR A 13 -2.156 -8.174 -10.570 1.00 0.00 C ATOM 146 C THR A 13 -1.363 -9.477 -10.680 1.00 0.00 C ATOM 147 O THR A 13 -0.404 -9.561 -11.453 1.00 0.00 O ATOM 148 CB THR A 13 -3.248 -7.953 -11.623 1.00 0.00 C ATOM 149 OG1 THR A 13 -3.804 -6.665 -11.415 1.00 0.00 O ATOM 150 CG2 THR A 13 -4.391 -8.955 -11.558 1.00 0.00 C ATOM 0 H THR A 13 -0.671 -7.139 -11.573 1.00 0.00 H new ATOM 0 HA THR A 13 -2.675 -8.220 -9.613 1.00 0.00 H new ATOM 0 HB THR A 13 -2.770 -8.070 -12.595 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.505 -6.500 -12.079 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.119 -8.727 -12.336 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.001 -9.962 -11.709 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.872 -8.895 -10.582 1.00 0.00 H new ATOM 158 N LEU A 14 -1.704 -10.455 -9.845 1.00 0.00 N ATOM 159 CA LEU A 14 -0.988 -11.704 -9.601 1.00 0.00 C ATOM 160 C LEU A 14 -2.048 -12.791 -9.400 1.00 0.00 C ATOM 161 O LEU A 14 -3.228 -12.482 -9.203 1.00 0.00 O ATOM 162 CB LEU A 14 -0.113 -11.604 -8.330 1.00 0.00 C ATOM 163 CG LEU A 14 0.953 -10.483 -8.272 1.00 0.00 C ATOM 164 CD1 LEU A 14 1.548 -10.424 -6.855 1.00 0.00 C ATOM 165 CD2 LEU A 14 2.095 -10.703 -9.262 1.00 0.00 C ATOM 0 H LEU A 14 -2.550 -10.390 -9.280 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.330 -11.928 -10.440 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.778 -11.478 -7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.397 -12.558 -8.199 1.00 0.00 H new ATOM 0 HG LEU A 14 0.452 -9.552 -8.537 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.300 -9.636 -6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.756 -10.213 -6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.011 -11.381 -6.614 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.812 -9.887 -9.177 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.592 -11.647 -9.040 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.697 -10.732 -10.276 1.00 0.00 H new ATOM 177 N THR A 15 -1.658 -14.063 -9.404 1.00 0.00 N ATOM 178 CA THR A 15 -2.561 -15.176 -9.115 1.00 0.00 C ATOM 179 C THR A 15 -1.919 -16.064 -8.041 1.00 0.00 C ATOM 180 O THR A 15 -0.691 -16.074 -7.903 1.00 0.00 O ATOM 181 CB THR A 15 -2.872 -15.940 -10.418 1.00 0.00 C ATOM 182 OG1 THR A 15 -3.161 -15.050 -11.485 1.00 0.00 O ATOM 183 CG2 THR A 15 -4.091 -16.860 -10.295 1.00 0.00 C ATOM 0 H THR A 15 -0.702 -14.353 -9.609 1.00 0.00 H new ATOM 0 HA THR A 15 -3.514 -14.819 -8.724 1.00 0.00 H new ATOM 0 HB THR A 15 -1.975 -16.527 -10.613 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.352 -15.564 -12.297 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.259 -17.370 -11.244 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.912 -17.598 -9.513 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.970 -16.267 -10.041 1.00 0.00 H new ATOM 191 N ILE A 16 -2.741 -16.793 -7.280 1.00 0.00 N ATOM 192 CA ILE A 16 -2.338 -17.758 -6.257 1.00 0.00 C ATOM 193 C ILE A 16 -3.328 -18.919 -6.219 1.00 0.00 C ATOM 194 O ILE A 16 -4.431 -18.780 -6.738 1.00 0.00 O ATOM 195 CB ILE A 16 -2.264 -17.090 -4.865 1.00 0.00 C ATOM 196 CG1 ILE A 16 -3.472 -16.220 -4.484 1.00 0.00 C ATOM 197 CG2 ILE A 16 -1.021 -16.224 -4.753 1.00 0.00 C ATOM 198 CD1 ILE A 16 -3.324 -15.629 -3.083 1.00 0.00 C ATOM 0 H ILE A 16 -3.755 -16.721 -7.366 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.347 -18.133 -6.513 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.245 -17.932 -4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.583 -15.414 -5.209 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.381 -16.819 -4.532 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.987 -15.762 -3.766 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.134 -16.841 -4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.049 -15.446 -5.516 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.198 -15.020 -2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.240 -16.436 -2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.429 -15.009 -3.043 1.00 0.00 H new ATOM 210 N VAL A 17 -2.968 -20.019 -5.553 1.00 0.00 N ATOM 211 CA VAL A 17 -3.830 -21.165 -5.273 1.00 0.00 C ATOM 212 C VAL A 17 -3.858 -21.363 -3.753 1.00 0.00 C ATOM 213 O VAL A 17 -2.855 -21.139 -3.072 1.00 0.00 O ATOM 214 CB VAL A 17 -3.311 -22.409 -6.033 1.00 0.00 C ATOM 215 CG1 VAL A 17 -4.119 -23.679 -5.726 1.00 0.00 C ATOM 216 CG2 VAL A 17 -3.336 -22.188 -7.553 1.00 0.00 C ATOM 0 H VAL A 17 -2.027 -20.138 -5.179 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.850 -20.998 -5.620 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.288 -22.550 -5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.707 -24.517 -6.288 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.064 -23.896 -4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.160 -23.526 -6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.965 -23.081 -8.057 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.358 -21.988 -7.875 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.703 -21.338 -7.808 1.00 0.00 H new ATOM 226 N LYS A 18 -5.011 -21.755 -3.204 1.00 0.00 N ATOM 227 CA LYS A 18 -5.235 -21.890 -1.758 1.00 0.00 C ATOM 228 C LYS A 18 -4.853 -23.292 -1.265 1.00 0.00 C ATOM 229 O LYS A 18 -5.110 -24.263 -1.981 1.00 0.00 O ATOM 230 CB LYS A 18 -6.722 -21.605 -1.520 1.00 0.00 C ATOM 231 CG LYS A 18 -7.061 -21.358 -0.050 1.00 0.00 C ATOM 232 CD LYS A 18 -8.539 -20.985 0.078 1.00 0.00 C ATOM 233 CE LYS A 18 -8.864 -20.715 1.542 1.00 0.00 C ATOM 234 NZ LYS A 18 -10.299 -20.872 1.831 1.00 0.00 N ATOM 0 H LYS A 18 -5.832 -21.992 -3.761 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.610 -21.192 -1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.016 -20.734 -2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.310 -22.447 -1.885 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.848 -22.251 0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.437 -20.558 0.348 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.757 -20.103 -0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.164 -21.793 -0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.292 -21.397 2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.551 -19.703 1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.721 -19.938 2.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.770 -21.316 1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.420 -21.473 2.671 1.00 0.00 H new ATOM 248 N GLY A 19 -4.327 -23.423 -0.039 1.00 0.00 N ATOM 249 CA GLY A 19 -3.696 -24.636 0.485 1.00 0.00 C ATOM 250 C GLY A 19 -4.360 -25.183 1.754 1.00 0.00 C ATOM 251 O GLY A 19 -3.874 -24.943 2.856 1.00 0.00 O ATOM 0 H GLY A 19 -4.331 -22.659 0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.717 -25.407 -0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.648 -24.426 0.697 1.00 0.00 H new ATOM 255 N ALA A 20 -5.446 -25.953 1.618 1.00 0.00 N ATOM 256 CA ALA A 20 -6.180 -26.649 2.689 1.00 0.00 C ATOM 257 C ALA A 20 -6.498 -25.807 3.935 1.00 0.00 C ATOM 258 O ALA A 20 -7.598 -25.264 4.025 1.00 0.00 O ATOM 259 CB ALA A 20 -5.496 -27.973 3.046 1.00 0.00 C ATOM 0 H ALA A 20 -5.864 -26.119 0.702 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.163 -26.857 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.055 -28.469 3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.466 -28.616 2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.480 -27.777 3.387 1.00 0.00 H new ATOM 265 N GLN A 21 -5.588 -25.680 4.903 1.00 0.00 N ATOM 266 CA GLN A 21 -5.805 -24.835 6.075 1.00 0.00 C ATOM 267 C GLN A 21 -5.979 -23.351 5.717 1.00 0.00 C ATOM 268 O GLN A 21 -6.474 -22.582 6.549 1.00 0.00 O ATOM 269 CB GLN A 21 -4.673 -25.017 7.091 1.00 0.00 C ATOM 270 CG GLN A 21 -4.693 -26.378 7.793 1.00 0.00 C ATOM 271 CD GLN A 21 -3.931 -26.279 9.112 1.00 0.00 C ATOM 272 OE1 GLN A 21 -4.437 -25.710 10.080 1.00 0.00 O ATOM 273 NE2 GLN A 21 -2.720 -26.810 9.203 1.00 0.00 N ATOM 0 H GLN A 21 -4.687 -26.157 4.896 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.743 -25.160 6.525 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.717 -24.894 6.583 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.739 -24.229 7.841 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.721 -26.690 7.977 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.239 -27.136 7.154 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.307 -27.280 8.397 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.201 -26.749 10.079 1.00 0.00 H new ATOM 282 N GLY A 22 -5.618 -22.938 4.504 1.00 0.00 N ATOM 283 CA GLY A 22 -5.793 -21.590 3.987 1.00 0.00 C ATOM 284 C GLY A 22 -4.653 -21.281 3.037 1.00 0.00 C ATOM 285 O GLY A 22 -3.946 -22.190 2.607 1.00 0.00 O ATOM 0 H GLY A 22 -5.177 -23.563 3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.749 -21.505 3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.808 -20.870 4.806 1.00 0.00 H new ATOM 289 N PHE A 23 -4.456 -20.024 2.660 1.00 0.00 N ATOM 290 CA PHE A 23 -3.238 -19.686 1.928 1.00 0.00 C ATOM 291 C PHE A 23 -2.050 -19.884 2.864 1.00 0.00 C ATOM 292 O PHE A 23 -2.169 -19.659 4.071 1.00 0.00 O ATOM 293 CB PHE A 23 -3.292 -18.269 1.365 1.00 0.00 C ATOM 294 CG PHE A 23 -4.450 -18.084 0.404 1.00 0.00 C ATOM 295 CD1 PHE A 23 -5.746 -17.842 0.893 1.00 0.00 C ATOM 296 CD2 PHE A 23 -4.247 -18.222 -0.980 1.00 0.00 C ATOM 297 CE1 PHE A 23 -6.831 -17.755 0.010 1.00 0.00 C ATOM 298 CE2 PHE A 23 -5.316 -18.048 -1.873 1.00 0.00 C ATOM 299 CZ PHE A 23 -6.608 -17.800 -1.370 1.00 0.00 C ATOM 0 H PHE A 23 -5.094 -19.248 2.838 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.133 -20.343 1.065 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.384 -17.556 2.185 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.356 -18.047 0.852 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.906 -17.723 1.954 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.264 -18.463 -1.358 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.835 -17.654 0.394 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.149 -18.104 -2.939 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.430 -17.644 -2.053 1.00 0.00 H new ATOM 309 N GLY A 24 -0.910 -20.311 2.322 1.00 0.00 N ATOM 310 CA GLY A 24 0.289 -20.546 3.113 1.00 0.00 C ATOM 311 C GLY A 24 0.759 -19.254 3.762 1.00 0.00 C ATOM 312 O GLY A 24 0.962 -19.212 4.982 1.00 0.00 O ATOM 0 H GLY A 24 -0.796 -20.502 1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.085 -21.293 3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.078 -20.949 2.478 1.00 0.00 H new ATOM 316 N PHE A 25 0.911 -18.201 2.949 1.00 0.00 N ATOM 317 CA PHE A 25 1.316 -16.888 3.422 1.00 0.00 C ATOM 318 C PHE A 25 0.277 -16.336 4.407 1.00 0.00 C ATOM 319 O PHE A 25 -0.864 -16.803 4.496 1.00 0.00 O ATOM 320 CB PHE A 25 1.558 -15.928 2.236 1.00 0.00 C ATOM 321 CG PHE A 25 0.292 -15.317 1.642 1.00 0.00 C ATOM 322 CD1 PHE A 25 -0.413 -15.995 0.637 1.00 0.00 C ATOM 323 CD2 PHE A 25 -0.212 -14.082 2.105 1.00 0.00 C ATOM 324 CE1 PHE A 25 -1.611 -15.482 0.122 1.00 0.00 C ATOM 325 CE2 PHE A 25 -1.414 -13.561 1.587 1.00 0.00 C ATOM 326 CZ PHE A 25 -2.117 -14.269 0.600 1.00 0.00 C ATOM 0 H PHE A 25 0.754 -18.245 1.942 1.00 0.00 H new ATOM 0 HA PHE A 25 2.262 -16.980 3.956 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.214 -15.122 2.566 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.087 -16.468 1.451 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.026 -16.928 0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.328 -13.533 2.862 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.144 -16.024 -0.645 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.794 -12.617 1.949 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.046 -13.878 0.211 1.00 0.00 H new ATOM 336 N THR A 26 0.673 -15.315 5.155 1.00 0.00 N ATOM 337 CA THR A 26 -0.127 -14.730 6.225 1.00 0.00 C ATOM 338 C THR A 26 -0.441 -13.282 5.882 1.00 0.00 C ATOM 339 O THR A 26 0.330 -12.636 5.165 1.00 0.00 O ATOM 340 CB THR A 26 0.657 -14.837 7.542 1.00 0.00 C ATOM 341 OG1 THR A 26 2.005 -14.454 7.348 1.00 0.00 O ATOM 342 CG2 THR A 26 0.657 -16.258 8.104 1.00 0.00 C ATOM 0 H THR A 26 1.578 -14.860 5.033 1.00 0.00 H new ATOM 0 HA THR A 26 -1.071 -15.263 6.338 1.00 0.00 H new ATOM 0 HB THR A 26 0.158 -14.173 8.248 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.539 -14.733 8.121 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.224 -16.281 9.035 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.369 -16.573 8.296 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.116 -16.934 7.383 1.00 0.00 H new ATOM 350 N ILE A 27 -1.513 -12.739 6.461 1.00 0.00 N ATOM 351 CA ILE A 27 -1.777 -11.307 6.430 1.00 0.00 C ATOM 352 C ILE A 27 -1.782 -10.750 7.845 1.00 0.00 C ATOM 353 O ILE A 27 -2.012 -11.483 8.810 1.00 0.00 O ATOM 354 CB ILE A 27 -3.051 -10.947 5.627 1.00 0.00 C ATOM 355 CG1 ILE A 27 -4.352 -11.467 6.272 1.00 0.00 C ATOM 356 CG2 ILE A 27 -2.895 -11.461 4.191 1.00 0.00 C ATOM 357 CD1 ILE A 27 -5.614 -11.034 5.513 1.00 0.00 C ATOM 0 H ILE A 27 -2.218 -13.280 6.962 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.966 -10.824 5.885 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.148 -9.861 5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.318 -12.556 6.318 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.411 -11.106 7.299 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.787 -11.212 3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.025 -10.994 3.730 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.762 -12.543 4.204 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.496 -11.431 6.016 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.669 -9.946 5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.575 -11.417 4.493 1.00 0.00 H new ATOM 369 N ALA A 28 -1.564 -9.448 7.955 1.00 0.00 N ATOM 370 CA ALA A 28 -1.810 -8.652 9.139 1.00 0.00 C ATOM 371 C ALA A 28 -2.663 -7.465 8.704 1.00 0.00 C ATOM 372 O ALA A 28 -2.773 -7.158 7.513 1.00 0.00 O ATOM 373 CB ALA A 28 -0.478 -8.210 9.760 1.00 0.00 C ATOM 0 H ALA A 28 -1.193 -8.896 7.182 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.336 -9.220 9.907 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.672 -7.612 10.650 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.105 -9.089 10.034 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.080 -7.615 9.038 1.00 0.00 H new ATOM 379 N ASP A 29 -3.291 -6.799 9.661 1.00 0.00 N ATOM 380 CA ASP A 29 -3.764 -5.434 9.477 1.00 0.00 C ATOM 381 C ASP A 29 -2.536 -4.523 9.455 1.00 0.00 C ATOM 382 O ASP A 29 -1.537 -4.805 10.117 1.00 0.00 O ATOM 383 CB ASP A 29 -4.703 -5.102 10.639 1.00 0.00 C ATOM 384 CG ASP A 29 -4.967 -3.610 10.809 1.00 0.00 C ATOM 385 OD1 ASP A 29 -5.940 -3.111 10.202 1.00 0.00 O ATOM 386 OD2 ASP A 29 -4.295 -2.965 11.642 1.00 0.00 O ATOM 0 H ASP A 29 -3.487 -7.187 10.584 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.314 -5.301 8.545 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.653 -5.614 10.484 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.276 -5.494 11.562 1.00 0.00 H new ATOM 391 N SER A 30 -2.577 -3.440 8.690 1.00 0.00 N ATOM 392 CA SER A 30 -1.655 -2.325 8.815 1.00 0.00 C ATOM 393 C SER A 30 -2.509 -1.062 8.626 1.00 0.00 C ATOM 394 O SER A 30 -3.601 -1.155 8.059 1.00 0.00 O ATOM 395 CB SER A 30 -0.481 -2.490 7.820 1.00 0.00 C ATOM 396 OG SER A 30 -0.775 -1.984 6.533 1.00 0.00 O ATOM 0 H SER A 30 -3.268 -3.312 7.950 1.00 0.00 H new ATOM 0 HA SER A 30 -1.163 -2.265 9.786 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.397 -1.978 8.214 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.225 -3.547 7.740 1.00 0.00 H new ATOM 0 HG SER A 30 -1.646 -2.324 6.239 1.00 0.00 H new ATOM 402 N PRO A 31 -2.030 0.120 9.041 1.00 0.00 N ATOM 403 CA PRO A 31 -2.815 1.349 9.015 1.00 0.00 C ATOM 404 C PRO A 31 -3.399 1.663 7.638 1.00 0.00 C ATOM 405 O PRO A 31 -4.555 2.062 7.496 1.00 0.00 O ATOM 406 CB PRO A 31 -1.876 2.463 9.482 1.00 0.00 C ATOM 407 CG PRO A 31 -0.528 1.803 9.767 1.00 0.00 C ATOM 408 CD PRO A 31 -0.778 0.309 9.742 1.00 0.00 C ATOM 0 HA PRO A 31 -3.683 1.246 9.666 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.777 3.233 8.717 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.266 2.950 10.376 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.211 2.087 9.018 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.137 2.117 10.735 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.034 -0.213 9.236 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.834 -0.093 10.754 1.00 0.00 H new ATOM 416 N THR A 32 -2.584 1.475 6.607 1.00 0.00 N ATOM 417 CA THR A 32 -2.921 1.796 5.235 1.00 0.00 C ATOM 418 C THR A 32 -3.928 0.788 4.661 1.00 0.00 C ATOM 419 O THR A 32 -4.693 1.143 3.768 1.00 0.00 O ATOM 420 CB THR A 32 -1.600 1.865 4.451 1.00 0.00 C ATOM 421 OG1 THR A 32 -0.834 0.689 4.658 1.00 0.00 O ATOM 422 CG2 THR A 32 -0.731 3.023 4.958 1.00 0.00 C ATOM 0 H THR A 32 -1.647 1.085 6.710 1.00 0.00 H new ATOM 0 HA THR A 32 -3.425 2.759 5.162 1.00 0.00 H new ATOM 0 HB THR A 32 -1.863 1.992 3.401 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.002 0.750 4.151 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.199 3.055 4.391 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.267 3.963 4.830 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.507 2.874 6.014 1.00 0.00 H new ATOM 430 N GLY A 33 -3.999 -0.432 5.200 1.00 0.00 N ATOM 431 CA GLY A 33 -4.790 -1.532 4.666 1.00 0.00 C ATOM 432 C GLY A 33 -4.147 -2.867 5.042 1.00 0.00 C ATOM 433 O GLY A 33 -3.082 -2.893 5.676 1.00 0.00 O ATOM 0 H GLY A 33 -3.490 -0.684 6.047 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.806 -1.485 5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.863 -1.446 3.582 1.00 0.00 H new ATOM 437 N GLN A 34 -4.762 -3.983 4.648 1.00 0.00 N ATOM 438 CA GLN A 34 -4.229 -5.316 4.927 1.00 0.00 C ATOM 439 C GLN A 34 -2.878 -5.456 4.234 1.00 0.00 C ATOM 440 O GLN A 34 -2.672 -4.936 3.131 1.00 0.00 O ATOM 441 CB GLN A 34 -5.163 -6.442 4.451 1.00 0.00 C ATOM 442 CG GLN A 34 -6.566 -6.414 5.068 1.00 0.00 C ATOM 443 CD GLN A 34 -7.453 -5.324 4.474 1.00 0.00 C ATOM 444 OE1 GLN A 34 -7.446 -5.087 3.270 1.00 0.00 O ATOM 445 NE2 GLN A 34 -8.219 -4.642 5.301 1.00 0.00 N ATOM 0 H GLN A 34 -5.640 -3.988 4.129 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.132 -5.415 6.008 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.257 -6.384 3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.699 -7.401 4.680 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.042 -7.383 4.920 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.482 -6.261 6.144 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.209 -4.855 6.298 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.822 -3.901 4.944 1.00 0.00 H new ATOM 454 N ARG A 35 -1.966 -6.192 4.867 1.00 0.00 N ATOM 455 CA ARG A 35 -0.652 -6.470 4.319 1.00 0.00 C ATOM 456 C ARG A 35 -0.300 -7.924 4.466 1.00 0.00 C ATOM 457 O ARG A 35 -0.828 -8.612 5.332 1.00 0.00 O ATOM 458 CB ARG A 35 0.421 -5.628 5.008 1.00 0.00 C ATOM 459 CG ARG A 35 0.591 -4.278 4.319 1.00 0.00 C ATOM 460 CD ARG A 35 1.811 -3.632 4.948 1.00 0.00 C ATOM 461 NE ARG A 35 2.136 -2.332 4.342 1.00 0.00 N ATOM 462 CZ ARG A 35 2.957 -1.419 4.872 1.00 0.00 C ATOM 463 NH1 ARG A 35 3.496 -1.610 6.072 1.00 0.00 N ATOM 464 NH2 ARG A 35 3.233 -0.315 4.191 1.00 0.00 N ATOM 0 H ARG A 35 -2.126 -6.613 5.782 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.687 -6.213 3.260 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.151 -5.474 6.053 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.369 -6.165 5.000 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.727 -4.404 3.245 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.294 -3.656 4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.637 -3.498 6.016 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.666 -4.301 4.845 1.00 0.00 H new ATOM 0 HE ARG A 35 1.701 -2.109 3.447 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.285 -2.459 6.597 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.121 -0.908 6.468 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.820 -0.167 3.270 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.858 0.386 4.588 1.00 0.00 H new ATOM 478 N VAL A 36 0.670 -8.346 3.672 1.00 0.00 N ATOM 479 CA VAL A 36 1.262 -9.673 3.723 1.00 0.00 C ATOM 480 C VAL A 36 2.205 -9.683 4.924 1.00 0.00 C ATOM 481 O VAL A 36 3.260 -9.054 4.886 1.00 0.00 O ATOM 482 CB VAL A 36 1.954 -9.976 2.379 1.00 0.00 C ATOM 483 CG1 VAL A 36 2.751 -11.290 2.404 1.00 0.00 C ATOM 484 CG2 VAL A 36 0.915 -10.064 1.252 1.00 0.00 C ATOM 0 H VAL A 36 1.081 -7.754 2.950 1.00 0.00 H new ATOM 0 HA VAL A 36 0.526 -10.465 3.857 1.00 0.00 H new ATOM 0 HB VAL A 36 2.650 -9.156 2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.216 -11.452 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.523 -11.233 3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.079 -12.119 2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.418 -10.278 0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.205 -10.860 1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.384 -9.116 1.172 1.00 0.00 H new ATOM 494 N LYS A 37 1.833 -10.369 6.003 1.00 0.00 N ATOM 495 CA LYS A 37 2.636 -10.483 7.219 1.00 0.00 C ATOM 496 C LYS A 37 3.984 -11.122 6.884 1.00 0.00 C ATOM 497 O LYS A 37 5.037 -10.534 7.151 1.00 0.00 O ATOM 498 CB LYS A 37 1.820 -11.264 8.273 1.00 0.00 C ATOM 499 CG LYS A 37 2.630 -12.035 9.327 1.00 0.00 C ATOM 500 CD LYS A 37 3.554 -11.148 10.168 1.00 0.00 C ATOM 501 CE LYS A 37 3.032 -10.870 11.574 1.00 0.00 C ATOM 502 NZ LYS A 37 2.853 -12.106 12.360 1.00 0.00 N ATOM 0 H LYS A 37 0.947 -10.871 6.058 1.00 0.00 H new ATOM 0 HA LYS A 37 2.862 -9.506 7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.167 -10.561 8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.176 -11.972 7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.941 -12.558 9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.229 -12.796 8.826 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.531 -11.625 10.242 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.700 -10.200 9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.727 -10.210 12.093 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.080 -10.343 11.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.933 -11.887 13.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.914 -12.508 12.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.586 -12.795 12.096 1.00 0.00 H new ATOM 516 N GLN A 38 3.946 -12.328 6.324 1.00 0.00 N ATOM 517 CA GLN A 38 5.097 -13.103 5.899 1.00 0.00 C ATOM 518 C GLN A 38 4.631 -13.988 4.747 1.00 0.00 C ATOM 519 O GLN A 38 3.492 -14.466 4.743 1.00 0.00 O ATOM 520 CB GLN A 38 5.619 -13.948 7.084 1.00 0.00 C ATOM 521 CG GLN A 38 6.791 -14.873 6.699 1.00 0.00 C ATOM 522 CD GLN A 38 7.887 -14.979 7.756 1.00 0.00 C ATOM 523 OE1 GLN A 38 7.641 -14.895 8.956 1.00 0.00 O ATOM 524 NE2 GLN A 38 9.132 -15.152 7.342 1.00 0.00 N ATOM 0 H GLN A 38 3.065 -12.811 6.148 1.00 0.00 H new ATOM 0 HA GLN A 38 5.917 -12.464 5.571 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.939 -13.281 7.885 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.802 -14.552 7.479 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.399 -15.870 6.498 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.233 -14.511 5.771 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.333 -15.221 6.344 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.891 -15.216 8.021 1.00 0.00 H new ATOM 533 N ILE A 39 5.533 -14.267 3.812 1.00 0.00 N ATOM 534 CA ILE A 39 5.364 -15.304 2.814 1.00 0.00 C ATOM 535 C ILE A 39 5.972 -16.557 3.411 1.00 0.00 C ATOM 536 O ILE A 39 7.186 -16.742 3.408 1.00 0.00 O ATOM 537 CB ILE A 39 5.975 -14.884 1.464 1.00 0.00 C ATOM 538 CG1 ILE A 39 5.074 -13.753 0.927 1.00 0.00 C ATOM 539 CG2 ILE A 39 6.006 -16.099 0.522 1.00 0.00 C ATOM 540 CD1 ILE A 39 5.499 -13.157 -0.406 1.00 0.00 C ATOM 0 H ILE A 39 6.418 -13.766 3.730 1.00 0.00 H new ATOM 0 HA ILE A 39 4.316 -15.489 2.578 1.00 0.00 H new ATOM 0 HB ILE A 39 7.002 -14.531 1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.059 -14.137 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.041 -12.955 1.669 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.438 -15.806 -0.435 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.611 -16.889 0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.991 -16.464 0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.800 -12.372 -0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.500 -12.736 -0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.502 -13.936 -1.168 1.00 0.00 H new ATOM 552 N LEU A 40 5.116 -17.389 3.986 1.00 0.00 N ATOM 553 CA LEU A 40 5.494 -18.674 4.533 1.00 0.00 C ATOM 554 C LEU A 40 5.793 -19.660 3.406 1.00 0.00 C ATOM 555 O LEU A 40 6.523 -20.625 3.625 1.00 0.00 O ATOM 556 CB LEU A 40 4.353 -19.221 5.375 1.00 0.00 C ATOM 557 CG LEU A 40 4.108 -18.444 6.676 1.00 0.00 C ATOM 558 CD1 LEU A 40 5.246 -18.495 7.697 1.00 0.00 C ATOM 559 CD2 LEU A 40 3.588 -17.024 6.573 1.00 0.00 C ATOM 0 H LEU A 40 4.122 -17.182 4.085 1.00 0.00 H new ATOM 0 HA LEU A 40 6.385 -18.546 5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.439 -19.211 4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.563 -20.262 5.620 1.00 0.00 H new ATOM 0 HG LEU A 40 3.272 -19.037 7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.971 -17.915 8.578 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.429 -19.530 7.987 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.150 -18.077 7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.466 -16.608 7.573 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.298 -16.416 6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.626 -17.025 6.060 1.00 0.00 H new ATOM 571 N ASP A 41 5.188 -19.444 2.233 1.00 0.00 N ATOM 572 CA ASP A 41 4.963 -20.427 1.181 1.00 0.00 C ATOM 573 C ASP A 41 5.141 -19.753 -0.174 1.00 0.00 C ATOM 574 O ASP A 41 4.241 -19.058 -0.660 1.00 0.00 O ATOM 575 CB ASP A 41 3.558 -21.005 1.340 1.00 0.00 C ATOM 576 CG ASP A 41 3.161 -21.975 0.225 1.00 0.00 C ATOM 577 OD1 ASP A 41 4.012 -22.348 -0.611 1.00 0.00 O ATOM 578 OD2 ASP A 41 1.979 -22.390 0.200 1.00 0.00 O ATOM 0 H ASP A 41 4.824 -18.525 1.983 1.00 0.00 H new ATOM 0 HA ASP A 41 5.681 -21.244 1.251 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.493 -21.521 2.298 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.839 -20.186 1.370 1.00 0.00 H new ATOM 583 N ILE A 42 6.351 -19.888 -0.713 1.00 0.00 N ATOM 584 CA ILE A 42 6.856 -19.099 -1.828 1.00 0.00 C ATOM 585 C ILE A 42 6.155 -19.540 -3.110 1.00 0.00 C ATOM 586 O ILE A 42 5.506 -18.715 -3.750 1.00 0.00 O ATOM 587 CB ILE A 42 8.399 -19.205 -1.873 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.989 -18.551 -0.598 1.00 0.00 C ATOM 589 CG2 ILE A 42 8.971 -18.551 -3.145 1.00 0.00 C ATOM 590 CD1 ILE A 42 10.457 -18.898 -0.349 1.00 0.00 C ATOM 0 H ILE A 42 7.026 -20.572 -0.373 1.00 0.00 H new ATOM 0 HA ILE A 42 6.631 -18.040 -1.706 1.00 0.00 H new ATOM 0 HB ILE A 42 8.681 -20.257 -1.903 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.890 -17.468 -0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.400 -18.863 0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 42 10.057 -18.643 -3.145 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.565 -19.050 -4.025 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.696 -17.496 -3.167 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.799 -18.404 0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.562 -19.977 -0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 42 11.059 -18.561 -1.193 1.00 0.00 H new ATOM 602 N GLN A 43 6.228 -20.828 -3.476 1.00 0.00 N ATOM 603 CA GLN A 43 5.522 -21.319 -4.658 1.00 0.00 C ATOM 604 C GLN A 43 4.007 -21.133 -4.528 1.00 0.00 C ATOM 605 O GLN A 43 3.321 -21.002 -5.543 1.00 0.00 O ATOM 606 CB GLN A 43 5.857 -22.795 -4.947 1.00 0.00 C ATOM 607 CG GLN A 43 6.912 -22.927 -6.058 1.00 0.00 C ATOM 608 CD GLN A 43 6.939 -24.325 -6.685 1.00 0.00 C ATOM 609 OE1 GLN A 43 5.898 -24.941 -6.924 1.00 0.00 O ATOM 610 NE2 GLN A 43 8.104 -24.877 -6.974 1.00 0.00 N ATOM 0 H GLN A 43 6.763 -21.537 -2.975 1.00 0.00 H new ATOM 0 HA GLN A 43 5.867 -20.721 -5.501 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.224 -23.271 -4.037 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.950 -23.324 -5.240 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.710 -22.189 -6.834 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.896 -22.698 -5.648 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.969 -24.373 -6.779 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.138 -25.807 -7.392 1.00 0.00 H new ATOM 619 N GLY A 44 3.474 -21.075 -3.304 1.00 0.00 N ATOM 620 CA GLY A 44 2.090 -20.710 -3.074 1.00 0.00 C ATOM 621 C GLY A 44 1.755 -19.325 -3.637 1.00 0.00 C ATOM 622 O GLY A 44 0.617 -19.128 -4.067 1.00 0.00 O ATOM 0 H GLY A 44 3.996 -21.281 -2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.439 -21.454 -3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.885 -20.724 -2.003 1.00 0.00 H new ATOM 626 N CYS A 45 2.689 -18.365 -3.657 1.00 0.00 N ATOM 627 CA CYS A 45 2.430 -16.969 -4.008 1.00 0.00 C ATOM 628 C CYS A 45 3.419 -16.424 -5.065 1.00 0.00 C ATOM 629 O CYS A 45 4.254 -15.567 -4.758 1.00 0.00 O ATOM 630 CB CYS A 45 2.338 -16.120 -2.733 1.00 0.00 C ATOM 631 SG CYS A 45 3.886 -16.146 -1.828 1.00 0.00 S ATOM 0 H CYS A 45 3.666 -18.545 -3.424 1.00 0.00 H new ATOM 0 HA CYS A 45 1.461 -16.906 -4.504 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.083 -15.093 -2.994 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.536 -16.497 -2.099 1.00 0.00 H new ATOM 0 HG CYS A 45 4.075 -17.330 -1.325 1.00 0.00 H new ATOM 637 N PRO A 46 3.339 -16.873 -6.332 1.00 0.00 N ATOM 638 CA PRO A 46 4.274 -16.465 -7.374 1.00 0.00 C ATOM 639 C PRO A 46 4.220 -14.949 -7.622 1.00 0.00 C ATOM 640 O PRO A 46 3.221 -14.419 -8.114 1.00 0.00 O ATOM 641 CB PRO A 46 3.907 -17.292 -8.609 1.00 0.00 C ATOM 642 CG PRO A 46 2.446 -17.673 -8.388 1.00 0.00 C ATOM 643 CD PRO A 46 2.358 -17.805 -6.870 1.00 0.00 C ATOM 0 HA PRO A 46 5.309 -16.653 -7.088 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.033 -16.716 -9.525 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.539 -18.175 -8.698 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.767 -16.910 -8.768 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.191 -18.606 -8.891 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.356 -17.566 -6.514 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.574 -18.825 -6.553 1.00 0.00 H new ATOM 651 N GLY A 47 5.295 -14.248 -7.261 1.00 0.00 N ATOM 652 CA GLY A 47 5.480 -12.818 -7.471 1.00 0.00 C ATOM 653 C GLY A 47 4.940 -11.930 -6.352 1.00 0.00 C ATOM 654 O GLY A 47 5.171 -10.717 -6.400 1.00 0.00 O ATOM 0 H GLY A 47 6.092 -14.682 -6.795 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.545 -12.618 -7.593 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.994 -12.537 -8.405 1.00 0.00 H new ATOM 658 N LEU A 48 4.266 -12.494 -5.344 1.00 0.00 N ATOM 659 CA LEU A 48 3.912 -11.766 -4.129 1.00 0.00 C ATOM 660 C LEU A 48 5.209 -11.412 -3.391 1.00 0.00 C ATOM 661 O LEU A 48 6.210 -12.126 -3.522 1.00 0.00 O ATOM 662 CB LEU A 48 3.008 -12.675 -3.281 1.00 0.00 C ATOM 663 CG LEU A 48 2.219 -11.976 -2.158 1.00 0.00 C ATOM 664 CD1 LEU A 48 1.021 -11.222 -2.740 1.00 0.00 C ATOM 665 CD2 LEU A 48 1.667 -13.005 -1.158 1.00 0.00 C ATOM 0 H LEU A 48 3.953 -13.465 -5.351 1.00 0.00 H new ATOM 0 HA LEU A 48 3.375 -10.843 -4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.298 -13.170 -3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.625 -13.455 -2.835 1.00 0.00 H new ATOM 0 HG LEU A 48 2.904 -11.290 -1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.473 -10.733 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.373 -10.471 -3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.363 -11.924 -3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.113 -12.489 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.003 -13.696 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.493 -13.560 -0.714 1.00 0.00 H new ATOM 677 N CYS A 49 5.214 -10.337 -2.605 1.00 0.00 N ATOM 678 CA CYS A 49 6.346 -9.926 -1.781 1.00 0.00 C ATOM 679 C CYS A 49 5.886 -9.682 -0.344 1.00 0.00 C ATOM 680 O CYS A 49 4.716 -9.396 -0.073 1.00 0.00 O ATOM 681 CB CYS A 49 6.981 -8.672 -2.384 1.00 0.00 C ATOM 682 SG CYS A 49 7.776 -9.089 -3.963 1.00 0.00 S ATOM 0 H CYS A 49 4.411 -9.714 -2.522 1.00 0.00 H new ATOM 0 HA CYS A 49 7.096 -10.717 -1.760 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.221 -7.906 -2.539 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.716 -8.257 -1.694 1.00 0.00 H new ATOM 0 HG CYS A 49 7.500 -10.320 -4.276 1.00 0.00 H new ATOM 688 N GLU A 50 6.818 -9.789 0.600 1.00 0.00 N ATOM 689 CA GLU A 50 6.501 -9.641 2.012 1.00 0.00 C ATOM 690 C GLU A 50 6.141 -8.179 2.282 1.00 0.00 C ATOM 691 O GLU A 50 6.784 -7.261 1.770 1.00 0.00 O ATOM 692 CB GLU A 50 7.666 -10.135 2.885 1.00 0.00 C ATOM 693 CG GLU A 50 7.765 -11.667 2.845 1.00 0.00 C ATOM 694 CD GLU A 50 8.848 -12.236 3.768 1.00 0.00 C ATOM 695 OE1 GLU A 50 8.761 -12.005 4.999 1.00 0.00 O ATOM 696 OE2 GLU A 50 9.719 -12.993 3.286 1.00 0.00 O ATOM 0 H GLU A 50 7.802 -9.978 0.408 1.00 0.00 H new ATOM 0 HA GLU A 50 5.642 -10.259 2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.600 -9.696 2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.523 -9.802 3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.801 -12.092 3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.969 -11.983 1.822 1.00 0.00 H new ATOM 703 N GLY A 51 5.095 -7.950 3.078 1.00 0.00 N ATOM 704 CA GLY A 51 4.561 -6.629 3.374 1.00 0.00 C ATOM 705 C GLY A 51 3.795 -5.990 2.217 1.00 0.00 C ATOM 706 O GLY A 51 3.509 -4.796 2.315 1.00 0.00 O ATOM 0 H GLY A 51 4.586 -8.701 3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.899 -6.702 4.237 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.383 -5.972 3.658 1.00 0.00 H new ATOM 710 N ASP A 52 3.448 -6.726 1.154 1.00 0.00 N ATOM 711 CA ASP A 52 2.584 -6.219 0.085 1.00 0.00 C ATOM 712 C ASP A 52 1.246 -5.787 0.656 1.00 0.00 C ATOM 713 O ASP A 52 0.643 -6.543 1.416 1.00 0.00 O ATOM 714 CB ASP A 52 2.365 -7.251 -1.041 1.00 0.00 C ATOM 715 CG ASP A 52 3.471 -7.235 -2.090 1.00 0.00 C ATOM 716 OD1 ASP A 52 4.315 -6.311 -2.040 1.00 0.00 O ATOM 717 OD2 ASP A 52 3.506 -8.125 -2.968 1.00 0.00 O ATOM 0 H ASP A 52 3.758 -7.687 1.012 1.00 0.00 H new ATOM 0 HA ASP A 52 3.093 -5.362 -0.356 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.301 -8.248 -0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.409 -7.053 -1.526 1.00 0.00 H new ATOM 722 N LEU A 53 0.808 -4.569 0.327 1.00 0.00 N ATOM 723 CA LEU A 53 -0.524 -4.076 0.654 1.00 0.00 C ATOM 724 C LEU A 53 -1.507 -4.676 -0.342 1.00 0.00 C ATOM 725 O LEU A 53 -1.174 -4.819 -1.518 1.00 0.00 O ATOM 726 CB LEU A 53 -0.562 -2.549 0.556 1.00 0.00 C ATOM 727 CG LEU A 53 -1.875 -1.951 1.103 1.00 0.00 C ATOM 728 CD1 LEU A 53 -1.679 -1.493 2.545 1.00 0.00 C ATOM 729 CD2 LEU A 53 -2.355 -0.786 0.242 1.00 0.00 C ATOM 0 H LEU A 53 1.379 -3.893 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.787 -4.363 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.280 -2.132 1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.438 -2.252 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.639 -2.728 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.611 -1.072 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.389 -2.344 3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.897 -0.735 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.282 -0.387 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.596 -0.004 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.531 -1.134 -0.776 1.00 0.00 H new ATOM 741 N ILE A 54 -2.712 -4.985 0.112 1.00 0.00 N ATOM 742 CA ILE A 54 -3.705 -5.766 -0.604 1.00 0.00 C ATOM 743 C ILE A 54 -4.823 -4.822 -1.053 1.00 0.00 C ATOM 744 O ILE A 54 -5.238 -3.947 -0.294 1.00 0.00 O ATOM 745 CB ILE A 54 -4.112 -6.897 0.370 1.00 0.00 C ATOM 746 CG1 ILE A 54 -2.895 -7.838 0.592 1.00 0.00 C ATOM 747 CG2 ILE A 54 -5.341 -7.694 -0.084 1.00 0.00 C ATOM 748 CD1 ILE A 54 -3.023 -8.760 1.802 1.00 0.00 C ATOM 0 H ILE A 54 -3.037 -4.684 1.031 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.361 -6.236 -1.525 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.405 -6.425 1.308 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.755 -8.448 -0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.998 -7.230 0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.564 -8.468 0.650 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.196 -7.024 -0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.138 -8.157 -1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.131 -9.381 1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.130 -8.161 2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.899 -9.397 1.683 1.00 0.00 H new ATOM 760 N VAL A 55 -5.276 -4.963 -2.302 1.00 0.00 N ATOM 761 CA VAL A 55 -6.190 -4.031 -2.955 1.00 0.00 C ATOM 762 C VAL A 55 -7.450 -4.765 -3.412 1.00 0.00 C ATOM 763 O VAL A 55 -8.549 -4.397 -2.988 1.00 0.00 O ATOM 764 CB VAL A 55 -5.464 -3.289 -4.102 1.00 0.00 C ATOM 765 CG1 VAL A 55 -6.453 -2.419 -4.892 1.00 0.00 C ATOM 766 CG2 VAL A 55 -4.288 -2.435 -3.579 1.00 0.00 C ATOM 0 H VAL A 55 -5.009 -5.747 -2.898 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.513 -3.268 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.049 -4.044 -4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.924 -1.905 -5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.233 -3.050 -5.317 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.904 -1.684 -4.225 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.805 -1.930 -4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.663 -1.692 -2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.566 -3.079 -3.077 1.00 0.00 H new ATOM 776 N GLU A 56 -7.299 -5.805 -4.235 1.00 0.00 N ATOM 777 CA GLU A 56 -8.409 -6.642 -4.685 1.00 0.00 C ATOM 778 C GLU A 56 -8.052 -8.100 -4.465 1.00 0.00 C ATOM 779 O GLU A 56 -6.881 -8.482 -4.563 1.00 0.00 O ATOM 780 CB GLU A 56 -8.791 -6.408 -6.166 1.00 0.00 C ATOM 781 CG GLU A 56 -9.650 -5.159 -6.346 1.00 0.00 C ATOM 782 CD GLU A 56 -10.345 -4.998 -7.702 1.00 0.00 C ATOM 783 OE1 GLU A 56 -10.061 -5.771 -8.638 1.00 0.00 O ATOM 784 OE2 GLU A 56 -11.200 -4.080 -7.797 1.00 0.00 O ATOM 0 H GLU A 56 -6.394 -6.091 -4.610 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.283 -6.365 -4.096 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.884 -6.313 -6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.331 -7.277 -6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.414 -5.155 -5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.021 -4.285 -6.179 1.00 0.00 H new ATOM 791 N ILE A 57 -9.081 -8.905 -4.218 1.00 0.00 N ATOM 792 CA ILE A 57 -9.068 -10.359 -4.209 1.00 0.00 C ATOM 793 C ILE A 57 -10.329 -10.765 -4.964 1.00 0.00 C ATOM 794 O ILE A 57 -11.414 -10.271 -4.674 1.00 0.00 O ATOM 795 CB ILE A 57 -9.045 -10.902 -2.761 1.00 0.00 C ATOM 796 CG1 ILE A 57 -7.636 -10.699 -2.155 1.00 0.00 C ATOM 797 CG2 ILE A 57 -9.419 -12.398 -2.734 1.00 0.00 C ATOM 798 CD1 ILE A 57 -7.613 -10.539 -0.645 1.00 0.00 C ATOM 0 H ILE A 57 -10.006 -8.531 -4.005 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.177 -10.774 -4.681 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.779 -10.354 -2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.012 -11.551 -2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.184 -9.816 -2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -9.397 -12.760 -1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.420 -12.530 -3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.704 -12.963 -3.333 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.585 -10.402 -0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.206 -9.669 -0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.031 -11.431 -0.178 1.00 0.00 H new ATOM 810 N ASN A 58 -10.178 -11.651 -5.943 1.00 0.00 N ATOM 811 CA ASN A 58 -11.188 -12.100 -6.895 1.00 0.00 C ATOM 812 C ASN A 58 -12.051 -10.940 -7.387 1.00 0.00 C ATOM 813 O ASN A 58 -13.277 -11.043 -7.422 1.00 0.00 O ATOM 814 CB ASN A 58 -12.014 -13.260 -6.327 1.00 0.00 C ATOM 815 CG ASN A 58 -11.170 -14.490 -6.046 1.00 0.00 C ATOM 816 OD1 ASN A 58 -10.216 -14.784 -6.761 1.00 0.00 O ATOM 817 ND2 ASN A 58 -11.479 -15.208 -4.982 1.00 0.00 N ATOM 0 H ASN A 58 -9.280 -12.108 -6.104 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.673 -12.489 -7.773 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.501 -12.939 -5.406 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.804 -13.519 -7.032 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.921 -16.026 -4.739 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.276 -14.944 -4.403 1.00 0.00 H new ATOM 824 N GLN A 59 -11.399 -9.825 -7.735 1.00 0.00 N ATOM 825 CA GLN A 59 -11.977 -8.567 -8.186 1.00 0.00 C ATOM 826 C GLN A 59 -12.971 -7.906 -7.223 1.00 0.00 C ATOM 827 O GLN A 59 -13.546 -6.868 -7.559 1.00 0.00 O ATOM 828 CB GLN A 59 -12.527 -8.708 -9.611 1.00 0.00 C ATOM 829 CG GLN A 59 -11.499 -9.332 -10.571 1.00 0.00 C ATOM 830 CD GLN A 59 -11.640 -10.835 -10.831 1.00 0.00 C ATOM 831 OE1 GLN A 59 -12.572 -11.511 -10.396 1.00 0.00 O ATOM 832 NE2 GLN A 59 -10.697 -11.415 -11.547 1.00 0.00 N ATOM 0 H GLN A 59 -10.380 -9.782 -7.704 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.151 -7.856 -8.198 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.426 -9.325 -9.593 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -12.821 -7.727 -9.984 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.563 -8.812 -11.527 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.502 -9.145 -10.173 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.921 -10.863 -11.912 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.744 -12.416 -11.736 1.00 0.00 H new ATOM 841 N GLN A 60 -13.183 -8.443 -6.021 1.00 0.00 N ATOM 842 CA GLN A 60 -13.751 -7.689 -4.925 1.00 0.00 C ATOM 843 C GLN A 60 -12.650 -6.749 -4.431 1.00 0.00 C ATOM 844 O GLN A 60 -11.544 -7.192 -4.110 1.00 0.00 O ATOM 845 CB GLN A 60 -14.254 -8.639 -3.825 1.00 0.00 C ATOM 846 CG GLN A 60 -14.733 -7.806 -2.634 1.00 0.00 C ATOM 847 CD GLN A 60 -15.469 -8.551 -1.526 1.00 0.00 C ATOM 848 OE1 GLN A 60 -15.806 -7.916 -0.534 1.00 0.00 O ATOM 849 NE2 GLN A 60 -15.731 -9.841 -1.627 1.00 0.00 N ATOM 0 H GLN A 60 -12.963 -9.412 -5.789 1.00 0.00 H new ATOM 0 HA GLN A 60 -14.620 -7.109 -5.235 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -15.067 -9.258 -4.204 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.456 -9.315 -3.516 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.866 -7.313 -2.194 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.390 -7.022 -3.010 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.444 -10.356 -2.459 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.220 -10.323 -0.873 1.00 0.00 H new ATOM 858 N ASN A 61 -12.948 -5.451 -4.368 1.00 0.00 N ATOM 859 CA ASN A 61 -12.090 -4.489 -3.688 1.00 0.00 C ATOM 860 C ASN A 61 -12.206 -4.670 -2.188 1.00 0.00 C ATOM 861 O ASN A 61 -13.308 -4.772 -1.646 1.00 0.00 O ATOM 862 CB ASN A 61 -12.408 -3.064 -4.129 1.00 0.00 C ATOM 863 CG ASN A 61 -11.407 -2.090 -3.529 1.00 0.00 C ATOM 864 OD1 ASN A 61 -11.483 -1.773 -2.348 1.00 0.00 O ATOM 865 ND2 ASN A 61 -10.450 -1.588 -4.290 1.00 0.00 N ATOM 0 H ASN A 61 -13.785 -5.042 -4.784 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.052 -4.673 -3.966 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.382 -2.998 -5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.418 -2.796 -3.817 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.773 -0.936 -3.894 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.388 -1.853 -5.273 1.00 0.00 H new ATOM 872 N VAL A 62 -11.055 -4.722 -1.530 1.00 0.00 N ATOM 873 CA VAL A 62 -10.934 -4.946 -0.102 1.00 0.00 C ATOM 874 C VAL A 62 -10.169 -3.795 0.569 1.00 0.00 C ATOM 875 O VAL A 62 -10.072 -3.758 1.790 1.00 0.00 O ATOM 876 CB VAL A 62 -10.332 -6.344 0.147 1.00 0.00 C ATOM 877 CG1 VAL A 62 -11.217 -7.467 -0.422 1.00 0.00 C ATOM 878 CG2 VAL A 62 -8.929 -6.503 -0.449 1.00 0.00 C ATOM 0 H VAL A 62 -10.154 -4.605 -1.993 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.917 -4.943 0.370 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.273 -6.430 1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.752 -8.433 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.198 -7.432 0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.328 -7.333 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.557 -7.507 -0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.972 -6.347 -1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.259 -5.769 -0.003 1.00 0.00 H new ATOM 888 N GLN A 63 -9.691 -2.803 -0.197 1.00 0.00 N ATOM 889 CA GLN A 63 -8.922 -1.657 0.273 1.00 0.00 C ATOM 890 C GLN A 63 -9.614 -0.757 1.301 1.00 0.00 C ATOM 891 O GLN A 63 -8.960 0.171 1.775 1.00 0.00 O ATOM 892 CB GLN A 63 -8.513 -0.809 -0.944 1.00 0.00 C ATOM 893 CG GLN A 63 -7.003 -0.826 -1.176 1.00 0.00 C ATOM 894 CD GLN A 63 -6.315 0.512 -0.921 1.00 0.00 C ATOM 895 OE1 GLN A 63 -5.641 1.028 -1.813 1.00 0.00 O ATOM 896 NE2 GLN A 63 -6.446 1.091 0.261 1.00 0.00 N ATOM 0 H GLN A 63 -9.841 -2.784 -1.206 1.00 0.00 H new ATOM 0 HA GLN A 63 -8.068 -2.079 0.802 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.020 -1.184 -1.833 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -8.845 0.219 -0.797 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.556 -1.581 -0.529 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.808 -1.132 -2.204 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.009 0.647 0.987 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.984 1.981 0.447 1.00 0.00 H new ATOM 905 N ASN A 64 -10.895 -0.971 1.609 1.00 0.00 N ATOM 906 CA ASN A 64 -11.639 -0.260 2.651 1.00 0.00 C ATOM 907 C ASN A 64 -12.188 -1.221 3.709 1.00 0.00 C ATOM 908 O ASN A 64 -12.825 -0.758 4.653 1.00 0.00 O ATOM 909 CB ASN A 64 -12.785 0.568 2.035 1.00 0.00 C ATOM 910 CG ASN A 64 -12.351 1.992 1.720 1.00 0.00 C ATOM 911 OD1 ASN A 64 -12.420 2.877 2.570 1.00 0.00 O ATOM 912 ND2 ASN A 64 -11.920 2.270 0.504 1.00 0.00 N ATOM 0 H ASN A 64 -11.462 -1.667 1.124 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.942 0.417 3.144 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.132 0.084 1.122 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -13.629 0.590 2.725 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.643 3.222 0.267 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.864 1.532 -0.198 1.00 0.00 H new ATOM 919 N LEU A 65 -11.994 -2.536 3.570 1.00 0.00 N ATOM 920 CA LEU A 65 -12.503 -3.512 4.527 1.00 0.00 C ATOM 921 C LEU A 65 -11.626 -3.542 5.780 1.00 0.00 C ATOM 922 O LEU A 65 -10.510 -3.011 5.771 1.00 0.00 O ATOM 923 CB LEU A 65 -12.597 -4.907 3.880 1.00 0.00 C ATOM 924 CG LEU A 65 -13.688 -5.031 2.798 1.00 0.00 C ATOM 925 CD1 LEU A 65 -13.748 -6.486 2.335 1.00 0.00 C ATOM 926 CD2 LEU A 65 -15.086 -4.619 3.274 1.00 0.00 C ATOM 0 H LEU A 65 -11.480 -2.949 2.791 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.508 -3.213 4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.632 -5.155 3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.789 -5.644 4.660 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.412 -4.348 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -14.516 -6.593 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.781 -6.777 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -13.990 -7.128 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -15.797 -4.734 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -15.387 -5.252 4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -15.069 -3.578 3.596 1.00 0.00 H new ATOM 938 N SER A 66 -12.097 -4.199 6.841 1.00 0.00 N ATOM 939 CA SER A 66 -11.261 -4.582 7.975 1.00 0.00 C ATOM 940 C SER A 66 -10.645 -5.953 7.712 1.00 0.00 C ATOM 941 O SER A 66 -11.190 -6.744 6.944 1.00 0.00 O ATOM 942 CB SER A 66 -12.082 -4.595 9.261 1.00 0.00 C ATOM 943 OG SER A 66 -12.665 -3.332 9.513 1.00 0.00 O ATOM 0 H SER A 66 -13.073 -4.480 6.936 1.00 0.00 H new ATOM 0 HA SER A 66 -10.461 -3.852 8.095 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.864 -5.350 9.188 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.444 -4.877 10.099 1.00 0.00 H new ATOM 0 HG SER A 66 -13.186 -3.372 10.342 1.00 0.00 H new ATOM 949 N HIS A 67 -9.509 -6.237 8.353 1.00 0.00 N ATOM 950 CA HIS A 67 -8.721 -7.446 8.154 1.00 0.00 C ATOM 951 C HIS A 67 -9.578 -8.708 8.182 1.00 0.00 C ATOM 952 O HIS A 67 -9.470 -9.522 7.272 1.00 0.00 O ATOM 953 CB HIS A 67 -7.591 -7.461 9.196 1.00 0.00 C ATOM 954 CG HIS A 67 -6.906 -8.785 9.434 1.00 0.00 C ATOM 955 ND1 HIS A 67 -5.598 -9.057 9.108 1.00 0.00 N ATOM 956 CD2 HIS A 67 -7.400 -9.860 10.136 1.00 0.00 C ATOM 957 CE1 HIS A 67 -5.297 -10.268 9.603 1.00 0.00 C ATOM 958 NE2 HIS A 67 -6.356 -10.785 10.249 1.00 0.00 N ATOM 0 H HIS A 67 -9.103 -5.609 9.046 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.281 -7.438 7.157 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.836 -6.737 8.889 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -7.999 -7.113 10.145 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.401 -9.969 10.525 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.340 -10.757 9.497 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.392 -11.683 10.731 1.00 0.00 H new ATOM 966 N THR A 68 -10.412 -8.884 9.200 1.00 0.00 N ATOM 967 CA THR A 68 -11.193 -10.087 9.417 1.00 0.00 C ATOM 968 C THR A 68 -12.231 -10.283 8.308 1.00 0.00 C ATOM 969 O THR A 68 -12.537 -11.427 7.969 1.00 0.00 O ATOM 970 CB THR A 68 -11.810 -9.973 10.814 1.00 0.00 C ATOM 971 OG1 THR A 68 -10.772 -9.962 11.783 1.00 0.00 O ATOM 972 CG2 THR A 68 -12.757 -11.101 11.179 1.00 0.00 C ATOM 0 H THR A 68 -10.565 -8.172 9.914 1.00 0.00 H new ATOM 0 HA THR A 68 -10.569 -10.980 9.373 1.00 0.00 H new ATOM 0 HB THR A 68 -12.390 -9.051 10.802 1.00 0.00 H new ATOM 0 HG1 THR A 68 -11.162 -9.887 12.679 1.00 0.00 H new ATOM 0 HG21 THR A 68 -13.146 -10.938 12.184 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.584 -11.126 10.469 1.00 0.00 H new ATOM 0 HG23 THR A 68 -12.222 -12.050 11.146 1.00 0.00 H new ATOM 980 N GLU A 69 -12.722 -9.199 7.703 1.00 0.00 N ATOM 981 CA GLU A 69 -13.616 -9.273 6.557 1.00 0.00 C ATOM 982 C GLU A 69 -12.824 -9.865 5.379 1.00 0.00 C ATOM 983 O GLU A 69 -13.288 -10.777 4.701 1.00 0.00 O ATOM 984 CB GLU A 69 -14.195 -7.880 6.236 1.00 0.00 C ATOM 985 CG GLU A 69 -14.753 -7.073 7.426 1.00 0.00 C ATOM 986 CD GLU A 69 -16.042 -7.622 8.053 1.00 0.00 C ATOM 987 OE1 GLU A 69 -16.011 -8.724 8.635 1.00 0.00 O ATOM 988 OE2 GLU A 69 -17.064 -6.884 8.095 1.00 0.00 O ATOM 0 H GLU A 69 -12.508 -8.246 7.998 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.469 -9.917 6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.414 -7.288 5.759 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.993 -8.003 5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.987 -7.023 8.199 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.938 -6.051 7.094 1.00 0.00 H new ATOM 995 N VAL A 70 -11.586 -9.401 5.163 1.00 0.00 N ATOM 996 CA VAL A 70 -10.731 -9.855 4.070 1.00 0.00 C ATOM 997 C VAL A 70 -10.319 -11.319 4.280 1.00 0.00 C ATOM 998 O VAL A 70 -10.307 -12.093 3.318 1.00 0.00 O ATOM 999 CB VAL A 70 -9.528 -8.900 3.933 1.00 0.00 C ATOM 1000 CG1 VAL A 70 -8.697 -9.200 2.687 1.00 0.00 C ATOM 1001 CG2 VAL A 70 -9.991 -7.442 3.825 1.00 0.00 C ATOM 0 H VAL A 70 -11.150 -8.692 5.752 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.278 -9.827 3.128 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.924 -9.052 4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.861 -8.503 2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.317 -10.220 2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.320 -9.091 1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.122 -6.791 3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.629 -7.327 2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.551 -7.171 4.720 1.00 0.00 H new ATOM 1011 N VAL A 71 -10.013 -11.713 5.521 1.00 0.00 N ATOM 1012 CA VAL A 71 -9.786 -13.101 5.916 1.00 0.00 C ATOM 1013 C VAL A 71 -10.968 -13.940 5.465 1.00 0.00 C ATOM 1014 O VAL A 71 -10.754 -14.980 4.849 1.00 0.00 O ATOM 1015 CB VAL A 71 -9.583 -13.198 7.448 1.00 0.00 C ATOM 1016 CG1 VAL A 71 -9.655 -14.634 8.000 1.00 0.00 C ATOM 1017 CG2 VAL A 71 -8.232 -12.614 7.834 1.00 0.00 C ATOM 0 H VAL A 71 -9.915 -11.056 6.295 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.881 -13.478 5.440 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.407 -12.634 7.886 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.503 -14.617 9.079 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.633 -15.061 7.778 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.880 -15.242 7.534 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.099 -12.687 8.913 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.439 -13.169 7.332 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.189 -11.567 7.533 1.00 0.00 H new ATOM 1027 N ASP A 72 -12.179 -13.502 5.795 1.00 0.00 N ATOM 1028 CA ASP A 72 -13.403 -14.277 5.576 1.00 0.00 C ATOM 1029 C ASP A 72 -13.700 -14.470 4.091 1.00 0.00 C ATOM 1030 O ASP A 72 -14.095 -15.547 3.655 1.00 0.00 O ATOM 1031 CB ASP A 72 -14.594 -13.604 6.256 1.00 0.00 C ATOM 1032 CG ASP A 72 -15.782 -14.559 6.397 1.00 0.00 C ATOM 1033 OD1 ASP A 72 -15.607 -15.753 6.734 1.00 0.00 O ATOM 1034 OD2 ASP A 72 -16.930 -14.061 6.346 1.00 0.00 O ATOM 0 H ASP A 72 -12.343 -12.592 6.226 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.241 -15.261 6.017 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.296 -13.247 7.242 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.896 -12.730 5.679 1.00 0.00 H new ATOM 1039 N ILE A 73 -13.429 -13.453 3.283 1.00 0.00 N ATOM 1040 CA ILE A 73 -13.508 -13.538 1.827 1.00 0.00 C ATOM 1041 C ILE A 73 -12.502 -14.584 1.324 1.00 0.00 C ATOM 1042 O ILE A 73 -12.836 -15.438 0.502 1.00 0.00 O ATOM 1043 CB ILE A 73 -13.286 -12.128 1.255 1.00 0.00 C ATOM 1044 CG1 ILE A 73 -14.465 -11.218 1.633 1.00 0.00 C ATOM 1045 CG2 ILE A 73 -13.105 -12.130 -0.277 1.00 0.00 C ATOM 1046 CD1 ILE A 73 -14.106 -9.731 1.608 1.00 0.00 C ATOM 0 H ILE A 73 -13.145 -12.534 3.623 1.00 0.00 H new ATOM 0 HA ILE A 73 -14.487 -13.875 1.486 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.362 -11.749 1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -15.291 -11.398 0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -14.817 -11.484 2.630 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.952 -11.109 -0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -12.239 -12.737 -0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.996 -12.545 -0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.980 -9.141 1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -13.300 -9.539 2.317 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.782 -9.452 0.606 1.00 0.00 H new ATOM 1058 N LEU A 74 -11.272 -14.578 1.848 1.00 0.00 N ATOM 1059 CA LEU A 74 -10.308 -15.635 1.553 1.00 0.00 C ATOM 1060 C LEU A 74 -10.756 -17.002 2.098 1.00 0.00 C ATOM 1061 O LEU A 74 -10.222 -18.015 1.651 1.00 0.00 O ATOM 1062 CB LEU A 74 -8.898 -15.300 2.061 1.00 0.00 C ATOM 1063 CG LEU A 74 -8.169 -14.126 1.388 1.00 0.00 C ATOM 1064 CD1 LEU A 74 -6.931 -13.796 2.230 1.00 0.00 C ATOM 1065 CD2 LEU A 74 -7.716 -14.444 -0.042 1.00 0.00 C ATOM 0 H LEU A 74 -10.924 -13.854 2.476 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.267 -15.700 0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.965 -15.089 3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -8.279 -16.190 1.950 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.865 -13.289 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.393 -12.964 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.240 -13.520 3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.279 -14.668 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.208 -13.577 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.033 -15.293 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.585 -14.688 -0.653 1.00 0.00 H new ATOM 1077 N LYS A 75 -11.706 -17.087 3.040 1.00 0.00 N ATOM 1078 CA LYS A 75 -12.316 -18.363 3.438 1.00 0.00 C ATOM 1079 C LYS A 75 -13.273 -18.822 2.337 1.00 0.00 C ATOM 1080 O LYS A 75 -13.127 -19.954 1.882 1.00 0.00 O ATOM 1081 CB LYS A 75 -12.974 -18.323 4.837 1.00 0.00 C ATOM 1082 CG LYS A 75 -11.968 -17.944 5.933 1.00 0.00 C ATOM 1083 CD LYS A 75 -12.553 -17.593 7.305 1.00 0.00 C ATOM 1084 CE LYS A 75 -12.837 -18.764 8.241 1.00 0.00 C ATOM 1085 NZ LYS A 75 -11.639 -19.575 8.520 1.00 0.00 N ATOM 0 H LYS A 75 -12.071 -16.279 3.544 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.523 -19.103 3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.793 -17.604 4.832 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.406 -19.298 5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.273 -18.774 6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.386 -17.092 5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.864 -16.914 7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.483 -17.046 7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.239 -18.384 9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.605 -19.399 7.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.812 -20.176 9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.426 -20.174 7.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.831 -18.948 8.709 1.00 0.00 H new ATOM 1099 N ASP A 76 -14.133 -17.942 1.817 1.00 0.00 N ATOM 1100 CA ASP A 76 -15.018 -18.251 0.681 1.00 0.00 C ATOM 1101 C ASP A 76 -14.245 -18.621 -0.594 1.00 0.00 C ATOM 1102 O ASP A 76 -14.753 -19.406 -1.395 1.00 0.00 O ATOM 1103 CB ASP A 76 -15.976 -17.084 0.404 1.00 0.00 C ATOM 1104 CG ASP A 76 -16.875 -17.299 -0.820 1.00 0.00 C ATOM 1105 OD1 ASP A 76 -17.609 -18.315 -0.873 1.00 0.00 O ATOM 1106 OD2 ASP A 76 -16.938 -16.399 -1.691 1.00 0.00 O ATOM 0 H ASP A 76 -14.238 -16.991 2.170 1.00 0.00 H new ATOM 0 HA ASP A 76 -15.596 -19.129 0.969 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -16.604 -16.925 1.281 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -15.393 -16.174 0.260 1.00 0.00 H new ATOM 1111 N CYS A 77 -13.010 -18.128 -0.768 1.00 0.00 N ATOM 1112 CA CYS A 77 -12.111 -18.582 -1.829 1.00 0.00 C ATOM 1113 C CYS A 77 -11.904 -20.101 -1.709 1.00 0.00 C ATOM 1114 O CYS A 77 -11.483 -20.567 -0.648 1.00 0.00 O ATOM 1115 CB CYS A 77 -10.755 -17.903 -1.726 1.00 0.00 C ATOM 1116 SG CYS A 77 -10.895 -16.124 -2.025 1.00 0.00 S ATOM 0 H CYS A 77 -12.610 -17.402 -0.174 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.564 -18.328 -2.787 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.332 -18.077 -0.737 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.068 -18.344 -2.448 1.00 0.00 H new ATOM 0 HG CYS A 77 -11.654 -15.589 -1.115 1.00 0.00 H new ATOM 1122 N PRO A 78 -12.189 -20.872 -2.764 1.00 0.00 N ATOM 1123 CA PRO A 78 -12.120 -22.320 -2.750 1.00 0.00 C ATOM 1124 C PRO A 78 -10.700 -22.853 -2.635 1.00 0.00 C ATOM 1125 O PRO A 78 -9.705 -22.186 -2.925 1.00 0.00 O ATOM 1126 CB PRO A 78 -12.818 -22.800 -4.020 1.00 0.00 C ATOM 1127 CG PRO A 78 -13.131 -21.546 -4.846 1.00 0.00 C ATOM 1128 CD PRO A 78 -12.669 -20.362 -4.024 1.00 0.00 C ATOM 0 HA PRO A 78 -12.618 -22.708 -1.861 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.179 -23.483 -4.579 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.731 -23.344 -3.779 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.616 -21.576 -5.806 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.198 -21.478 -5.058 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.880 -19.819 -4.544 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.489 -19.661 -3.867 1.00 0.00 H new ATOM 1136 N ILE A 79 -10.628 -24.088 -2.161 1.00 0.00 N ATOM 1137 CA ILE A 79 -9.415 -24.769 -1.770 1.00 0.00 C ATOM 1138 C ILE A 79 -8.894 -25.491 -3.004 1.00 0.00 C ATOM 1139 O ILE A 79 -9.600 -26.309 -3.605 1.00 0.00 O ATOM 1140 CB ILE A 79 -9.781 -25.745 -0.641 1.00 0.00 C ATOM 1141 CG1 ILE A 79 -10.249 -24.990 0.619 1.00 0.00 C ATOM 1142 CG2 ILE A 79 -8.627 -26.713 -0.329 1.00 0.00 C ATOM 1143 CD1 ILE A 79 -9.115 -24.321 1.382 1.00 0.00 C ATOM 0 H ILE A 79 -11.459 -24.666 -2.035 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.640 -24.096 -1.404 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.618 -26.350 -0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.978 -24.233 0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.760 -25.688 1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.925 -27.387 0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.388 -27.294 -1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.749 -26.145 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.517 -23.809 2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.397 -25.076 1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.618 -23.598 0.735 1.00 0.00 H new ATOM 1155 N GLY A 80 -7.646 -25.222 -3.379 1.00 0.00 N ATOM 1156 CA GLY A 80 -7.104 -25.784 -4.600 1.00 0.00 C ATOM 1157 C GLY A 80 -7.804 -25.221 -5.837 1.00 0.00 C ATOM 1158 O GLY A 80 -7.921 -25.929 -6.840 1.00 0.00 O ATOM 0 H GLY A 80 -7.003 -24.625 -2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.036 -25.571 -4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.212 -26.868 -4.582 1.00 0.00 H new ATOM 1162 N SER A 81 -8.314 -23.995 -5.750 1.00 0.00 N ATOM 1163 CA SER A 81 -8.673 -23.172 -6.887 1.00 0.00 C ATOM 1164 C SER A 81 -7.687 -22.011 -6.956 1.00 0.00 C ATOM 1165 O SER A 81 -7.059 -21.669 -5.945 1.00 0.00 O ATOM 1166 CB SER A 81 -10.109 -22.685 -6.708 1.00 0.00 C ATOM 1167 OG SER A 81 -10.968 -23.806 -6.634 1.00 0.00 O ATOM 0 H SER A 81 -8.492 -23.539 -4.855 1.00 0.00 H new ATOM 0 HA SER A 81 -8.623 -23.731 -7.822 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.193 -22.085 -5.802 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.396 -22.045 -7.542 1.00 0.00 H new ATOM 0 HG SER A 81 -11.886 -23.529 -6.837 1.00 0.00 H new ATOM 1173 N GLU A 82 -7.557 -21.426 -8.141 1.00 0.00 N ATOM 1174 CA GLU A 82 -6.902 -20.153 -8.345 1.00 0.00 C ATOM 1175 C GLU A 82 -7.708 -19.039 -7.661 1.00 0.00 C ATOM 1176 O GLU A 82 -8.902 -19.157 -7.376 1.00 0.00 O ATOM 1177 CB GLU A 82 -6.659 -19.862 -9.839 1.00 0.00 C ATOM 1178 CG GLU A 82 -5.261 -20.294 -10.323 1.00 0.00 C ATOM 1179 CD GLU A 82 -5.223 -21.592 -11.136 1.00 0.00 C ATOM 1180 OE1 GLU A 82 -5.435 -22.705 -10.609 1.00 0.00 O ATOM 1181 OE2 GLU A 82 -4.913 -21.511 -12.347 1.00 0.00 O ATOM 0 H GLU A 82 -7.915 -21.839 -9.003 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.915 -20.194 -7.884 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.416 -20.377 -10.430 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.785 -18.794 -10.020 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.841 -19.492 -10.930 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.613 -20.410 -9.454 1.00 0.00 H new ATOM 1188 N THR A 83 -7.021 -17.967 -7.292 1.00 0.00 N ATOM 1189 CA THR A 83 -7.561 -16.756 -6.707 1.00 0.00 C ATOM 1190 C THR A 83 -6.772 -15.593 -7.337 1.00 0.00 C ATOM 1191 O THR A 83 -5.538 -15.657 -7.435 1.00 0.00 O ATOM 1192 CB THR A 83 -7.406 -16.878 -5.182 1.00 0.00 C ATOM 1193 OG1 THR A 83 -8.102 -18.018 -4.705 1.00 0.00 O ATOM 1194 CG2 THR A 83 -7.925 -15.670 -4.404 1.00 0.00 C ATOM 0 H THR A 83 -6.008 -17.921 -7.402 1.00 0.00 H new ATOM 0 HA THR A 83 -8.620 -16.584 -6.899 1.00 0.00 H new ATOM 0 HB THR A 83 -6.332 -16.954 -5.013 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.409 -17.854 -3.789 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.779 -15.835 -3.336 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.380 -14.778 -4.711 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.987 -15.534 -4.608 1.00 0.00 H new ATOM 1202 N SER A 84 -7.477 -14.567 -7.824 1.00 0.00 N ATOM 1203 CA SER A 84 -6.946 -13.463 -8.616 1.00 0.00 C ATOM 1204 C SER A 84 -6.703 -12.314 -7.649 1.00 0.00 C ATOM 1205 O SER A 84 -7.647 -11.917 -6.966 1.00 0.00 O ATOM 1206 CB SER A 84 -7.981 -13.037 -9.665 1.00 0.00 C ATOM 1207 OG SER A 84 -8.513 -14.142 -10.385 1.00 0.00 O ATOM 0 H SER A 84 -8.481 -14.484 -7.667 1.00 0.00 H new ATOM 0 HA SER A 84 -6.030 -13.751 -9.132 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.794 -12.503 -9.173 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.519 -12.340 -10.364 1.00 0.00 H new ATOM 0 HG SER A 84 -9.168 -13.821 -11.039 1.00 0.00 H new ATOM 1213 N LEU A 85 -5.478 -11.804 -7.520 1.00 0.00 N ATOM 1214 CA LEU A 85 -5.157 -10.802 -6.507 1.00 0.00 C ATOM 1215 C LEU A 85 -4.616 -9.541 -7.173 1.00 0.00 C ATOM 1216 O LEU A 85 -3.866 -9.632 -8.144 1.00 0.00 O ATOM 1217 CB LEU A 85 -4.093 -11.357 -5.547 1.00 0.00 C ATOM 1218 CG LEU A 85 -4.665 -11.864 -4.215 1.00 0.00 C ATOM 1219 CD1 LEU A 85 -5.576 -13.083 -4.376 1.00 0.00 C ATOM 1220 CD2 LEU A 85 -3.494 -12.169 -3.275 1.00 0.00 C ATOM 0 H LEU A 85 -4.689 -12.071 -8.108 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.064 -10.560 -5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.564 -12.173 -6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.359 -10.578 -5.343 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.300 -11.084 -3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.947 -13.392 -3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.418 -12.826 -5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.013 -13.901 -4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.878 -12.531 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.857 -12.932 -3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.913 -11.261 -3.111 1.00 0.00 H new ATOM 1232 N ILE A 86 -4.843 -8.379 -6.562 1.00 0.00 N ATOM 1233 CA ILE A 86 -4.252 -7.094 -6.928 1.00 0.00 C ATOM 1234 C ILE A 86 -3.622 -6.528 -5.654 1.00 0.00 C ATOM 1235 O ILE A 86 -4.304 -6.447 -4.624 1.00 0.00 O ATOM 1236 CB ILE A 86 -5.287 -6.145 -7.552 1.00 0.00 C ATOM 1237 CG1 ILE A 86 -6.088 -6.885 -8.650 1.00 0.00 C ATOM 1238 CG2 ILE A 86 -4.605 -4.914 -8.152 1.00 0.00 C ATOM 1239 CD1 ILE A 86 -6.906 -5.985 -9.568 1.00 0.00 C ATOM 0 H ILE A 86 -5.472 -8.305 -5.763 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.492 -7.217 -7.700 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.967 -5.816 -6.766 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.393 -7.463 -9.258 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.760 -7.597 -8.171 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.358 -4.257 -8.588 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.066 -4.379 -7.370 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.905 -5.227 -8.926 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.431 -6.595 -10.303 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.631 -5.425 -8.977 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.242 -5.290 -10.082 1.00 0.00 H new ATOM 1251 N ILE A 87 -2.335 -6.188 -5.686 1.00 0.00 N ATOM 1252 CA ILE A 87 -1.576 -5.657 -4.546 1.00 0.00 C ATOM 1253 C ILE A 87 -1.085 -4.245 -4.871 1.00 0.00 C ATOM 1254 O ILE A 87 -1.330 -3.762 -5.975 1.00 0.00 O ATOM 1255 CB ILE A 87 -0.455 -6.636 -4.113 1.00 0.00 C ATOM 1256 CG1 ILE A 87 0.646 -6.898 -5.170 1.00 0.00 C ATOM 1257 CG2 ILE A 87 -1.061 -7.957 -3.610 1.00 0.00 C ATOM 1258 CD1 ILE A 87 1.742 -5.835 -5.132 1.00 0.00 C ATOM 0 H ILE A 87 -1.770 -6.276 -6.531 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.224 -5.571 -3.674 1.00 0.00 H new ATOM 0 HB ILE A 87 0.065 -6.129 -3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.087 -7.880 -4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.197 -6.920 -6.163 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.261 -8.633 -3.310 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.708 -7.758 -2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.644 -8.417 -4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.493 -6.059 -5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.306 -4.856 -5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 87 2.210 -5.830 -4.148 1.00 0.00 H new ATOM 1270 N HIS A 88 -0.409 -3.561 -3.940 1.00 0.00 N ATOM 1271 CA HIS A 88 0.145 -2.222 -4.156 1.00 0.00 C ATOM 1272 C HIS A 88 1.677 -2.255 -4.285 1.00 0.00 C ATOM 1273 O HIS A 88 2.380 -2.752 -3.405 1.00 0.00 O ATOM 1274 CB HIS A 88 -0.316 -1.296 -3.039 1.00 0.00 C ATOM 1275 CG HIS A 88 -0.329 0.157 -3.411 1.00 0.00 C ATOM 1276 ND1 HIS A 88 0.764 0.978 -3.618 1.00 0.00 N ATOM 1277 CD2 HIS A 88 -1.461 0.909 -3.537 1.00 0.00 C ATOM 1278 CE1 HIS A 88 0.293 2.216 -3.844 1.00 0.00 C ATOM 1279 NE2 HIS A 88 -1.051 2.218 -3.785 1.00 0.00 N ATOM 0 H HIS A 88 -0.230 -3.927 -3.005 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.230 -1.833 -5.103 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.319 -1.589 -2.730 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.336 -1.433 -2.176 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.479 0.557 -3.459 1.00 0.00 H new ATOM 0 HE1 HIS A 88 0.905 3.083 -4.044 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -1.659 3.029 -3.901 1.00 0.00 H new ATOM 1287 N ARG A 89 2.182 -1.722 -5.393 1.00 0.00 N ATOM 1288 CA ARG A 89 3.543 -1.747 -5.924 1.00 0.00 C ATOM 1289 C ARG A 89 3.644 -0.570 -6.914 1.00 0.00 C ATOM 1290 O ARG A 89 3.058 0.482 -6.646 1.00 0.00 O ATOM 1291 CB ARG A 89 3.768 -3.116 -6.588 1.00 0.00 C ATOM 1292 CG ARG A 89 5.224 -3.479 -6.936 1.00 0.00 C ATOM 1293 CD ARG A 89 5.924 -4.271 -5.836 1.00 0.00 C ATOM 1294 NE ARG A 89 6.445 -3.409 -4.765 1.00 0.00 N ATOM 1295 CZ ARG A 89 6.775 -3.852 -3.547 1.00 0.00 C ATOM 1296 NH1 ARG A 89 6.648 -5.137 -3.236 1.00 0.00 N ATOM 1297 NH2 ARG A 89 7.227 -2.993 -2.639 1.00 0.00 N ATOM 0 H ARG A 89 1.571 -1.197 -6.018 1.00 0.00 H new ATOM 0 HA ARG A 89 4.314 -1.630 -5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 89 3.373 -3.886 -5.925 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.179 -3.152 -7.504 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.237 -4.060 -7.858 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.784 -2.564 -7.129 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.225 -4.991 -5.411 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.745 -4.842 -6.270 1.00 0.00 H new ATOM 0 HE ARG A 89 6.562 -2.415 -4.962 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.296 -5.797 -3.929 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.903 -5.464 -2.304 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.320 -2.005 -2.874 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.481 -3.322 -1.708 1.00 0.00 H new