USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 SER OG : rot 93:sc= 1.21 USER MOD Set 1.2: A 40 SER OG : rot 180:sc= 1.05 USER MOD Set 2.1: A 18 ASN : amide:sc= -2 K(o=-2,f=-7.4!) USER MOD Set 2.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -143:sc=-0.00176 (180deg=-0.0438) USER MOD Single : A 34 SER OG : rot 180:sc= 0.213 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.295 X(o=-0.29,f=-0.0078) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.373 K(o=-0.37,f=-2.4!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 147:sc= -3.01! (180deg=-6.32!) USER MOD Single : A 94 HIS : no HE2:sc= -3.21! C(o=-3.2!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 122 N VAL A 12 -13.757 -9.967 -0.019 1.00 0.00 N ATOM 123 CA VAL A 12 -12.389 -10.238 -0.427 1.00 0.00 C ATOM 124 C VAL A 12 -12.026 -11.677 -0.055 1.00 0.00 C ATOM 125 O VAL A 12 -12.366 -12.146 1.030 1.00 0.00 O ATOM 126 CB VAL A 12 -11.445 -9.204 0.191 1.00 0.00 C ATOM 127 CG1 VAL A 12 -10.001 -9.445 -0.255 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.893 -7.781 -0.147 1.00 0.00 C ATOM 0 HA VAL A 12 -12.287 -10.147 -1.508 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.485 -9.319 1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.351 -8.697 0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.684 -10.439 0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.938 -9.371 -1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.205 -7.066 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.896 -7.648 -1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.897 -7.614 0.242 1.00 0.00 H new ATOM 138 N PRO A 13 -11.322 -12.354 -1.000 1.00 0.00 N ATOM 139 CA PRO A 13 -10.909 -13.730 -0.783 1.00 0.00 C ATOM 140 C PRO A 13 -9.733 -13.802 0.194 1.00 0.00 C ATOM 141 O PRO A 13 -9.330 -12.788 0.762 1.00 0.00 O ATOM 142 CB PRO A 13 -10.565 -14.261 -2.165 1.00 0.00 C ATOM 143 CG PRO A 13 -10.352 -13.037 -3.041 1.00 0.00 C ATOM 144 CD PRO A 13 -10.901 -11.831 -2.297 1.00 0.00 C ATOM 0 HA PRO A 13 -11.689 -14.335 -0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.668 -14.880 -2.134 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.369 -14.885 -2.555 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.292 -12.902 -3.258 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.860 -13.159 -3.998 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.142 -11.057 -2.184 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.737 -11.382 -2.833 1.00 0.00 H new ATOM 152 N ALA A 14 -9.217 -15.011 0.360 1.00 0.00 N ATOM 153 CA ALA A 14 -8.096 -15.228 1.259 1.00 0.00 C ATOM 154 C ALA A 14 -6.827 -15.467 0.437 1.00 0.00 C ATOM 155 O ALA A 14 -5.772 -15.771 0.991 1.00 0.00 O ATOM 156 CB ALA A 14 -8.411 -16.396 2.196 1.00 0.00 C ATOM 0 H ALA A 14 -9.554 -15.850 -0.112 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.927 -14.348 1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.570 -16.559 2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.303 -16.165 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.584 -17.297 1.608 1.00 0.00 H new ATOM 162 N ASP A 15 -6.973 -15.320 -0.872 1.00 0.00 N ATOM 163 CA ASP A 15 -5.852 -15.515 -1.776 1.00 0.00 C ATOM 164 C ASP A 15 -5.379 -14.157 -2.296 1.00 0.00 C ATOM 165 O ASP A 15 -4.234 -14.016 -2.723 1.00 0.00 O ATOM 166 CB ASP A 15 -6.258 -16.367 -2.980 1.00 0.00 C ATOM 167 CG ASP A 15 -5.094 -16.985 -3.758 1.00 0.00 C ATOM 168 OD1 ASP A 15 -3.940 -16.720 -3.357 1.00 0.00 O ATOM 169 OD2 ASP A 15 -5.384 -17.708 -4.735 1.00 0.00 O ATOM 0 H ASP A 15 -7.850 -15.068 -1.328 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.059 -16.022 -1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.911 -17.169 -2.635 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.844 -15.750 -3.661 1.00 0.00 H new ATOM 174 N MET A 16 -6.284 -13.190 -2.242 1.00 0.00 N ATOM 175 CA MET A 16 -5.973 -11.848 -2.702 1.00 0.00 C ATOM 176 C MET A 16 -5.868 -10.875 -1.526 1.00 0.00 C ATOM 177 O MET A 16 -6.383 -11.148 -0.443 1.00 0.00 O ATOM 178 CB MET A 16 -7.065 -11.371 -3.663 1.00 0.00 C ATOM 179 CG MET A 16 -7.157 -12.287 -4.885 1.00 0.00 C ATOM 180 SD MET A 16 -7.424 -11.313 -6.358 1.00 0.00 S ATOM 181 CE MET A 16 -5.758 -10.752 -6.664 1.00 0.00 C ATOM 0 H MET A 16 -7.233 -13.310 -1.887 1.00 0.00 H new ATOM 0 HA MET A 16 -5.011 -11.874 -3.214 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.025 -11.349 -3.147 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.852 -10.351 -3.984 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.240 -12.868 -4.984 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.973 -12.998 -4.756 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.782 -9.729 -7.040 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.187 -10.785 -5.736 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.286 -11.399 -7.404 1.00 0.00 H new ATOM 191 N ILE A 17 -5.197 -9.761 -1.778 1.00 0.00 N ATOM 192 CA ILE A 17 -5.018 -8.747 -0.753 1.00 0.00 C ATOM 193 C ILE A 17 -5.660 -7.438 -1.220 1.00 0.00 C ATOM 194 O ILE A 17 -5.331 -6.928 -2.289 1.00 0.00 O ATOM 195 CB ILE A 17 -3.539 -8.610 -0.387 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.941 -9.967 -0.009 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.341 -7.569 0.716 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.659 -10.240 -0.798 1.00 0.00 C ATOM 0 H ILE A 17 -4.771 -9.538 -2.677 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.524 -9.041 0.167 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.001 -8.254 -1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.726 -9.989 1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.667 -10.756 -0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.281 -7.491 0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.707 -6.601 0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.894 -7.871 1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.254 -11.210 -0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.882 -10.241 -1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.926 -9.463 -0.581 1.00 0.00 H new ATOM 210 N ASN A 18 -6.563 -6.932 -0.393 1.00 0.00 N ATOM 211 CA ASN A 18 -7.254 -5.693 -0.708 1.00 0.00 C ATOM 212 C ASN A 18 -6.378 -4.508 -0.296 1.00 0.00 C ATOM 213 O ASN A 18 -6.031 -4.365 0.876 1.00 0.00 O ATOM 214 CB ASN A 18 -8.576 -5.590 0.055 1.00 0.00 C ATOM 215 CG ASN A 18 -9.432 -4.442 -0.484 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.063 -3.740 -1.411 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.593 -4.291 0.147 1.00 0.00 N ATOM 0 H ASN A 18 -6.832 -7.357 0.494 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.454 -5.681 -1.779 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.124 -6.528 -0.031 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.377 -5.433 1.115 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.236 -3.552 -0.138 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.840 -4.914 0.916 1.00 0.00 H new ATOM 224 N LEU A 19 -6.046 -3.687 -1.282 1.00 0.00 N ATOM 225 CA LEU A 19 -5.217 -2.519 -1.037 1.00 0.00 C ATOM 226 C LEU A 19 -6.052 -1.254 -1.246 1.00 0.00 C ATOM 227 O LEU A 19 -6.715 -1.106 -2.271 1.00 0.00 O ATOM 228 CB LEU A 19 -3.952 -2.570 -1.896 1.00 0.00 C ATOM 229 CG LEU A 19 -2.778 -3.360 -1.315 1.00 0.00 C ATOM 230 CD1 LEU A 19 -2.099 -2.582 -0.186 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.224 -4.753 -0.864 1.00 0.00 C ATOM 0 H LEU A 19 -6.336 -3.808 -2.252 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.872 -2.507 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.211 -3.001 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.621 -1.548 -2.081 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.037 -3.498 -2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.268 -3.166 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.725 -1.633 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.820 -2.392 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.370 -5.294 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.994 -4.658 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.625 -5.300 -1.717 1.00 0.00 H new ATOM 243 N ARG A 20 -5.992 -0.374 -0.257 1.00 0.00 N ATOM 244 CA ARG A 20 -6.734 0.873 -0.320 1.00 0.00 C ATOM 245 C ARG A 20 -5.847 1.992 -0.869 1.00 0.00 C ATOM 246 O ARG A 20 -4.934 2.457 -0.187 1.00 0.00 O ATOM 247 CB ARG A 20 -7.253 1.275 1.062 1.00 0.00 C ATOM 248 CG ARG A 20 -8.776 1.425 1.054 1.00 0.00 C ATOM 249 CD ARG A 20 -9.325 1.528 2.478 1.00 0.00 C ATOM 250 NE ARG A 20 -10.687 0.952 2.538 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.489 1.029 3.609 1.00 0.00 C ATOM 252 NH1 ARG A 20 -11.070 1.658 4.716 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.709 0.477 3.574 1.00 0.00 N ATOM 0 H ARG A 20 -5.441 -0.500 0.592 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.584 0.720 -0.985 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.962 0.524 1.796 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.793 2.215 1.368 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.054 2.314 0.488 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.226 0.571 0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.667 1.001 3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.348 2.571 2.793 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.037 0.466 1.712 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.141 2.078 4.743 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.680 1.717 5.531 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.028 -0.002 2.732 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.319 0.536 4.389 1.00 0.00 H new ATOM 267 N LEU A 21 -6.145 2.392 -2.096 1.00 0.00 N ATOM 268 CA LEU A 21 -5.385 3.448 -2.744 1.00 0.00 C ATOM 269 C LEU A 21 -6.009 4.803 -2.402 1.00 0.00 C ATOM 270 O LEU A 21 -7.195 5.023 -2.643 1.00 0.00 O ATOM 271 CB LEU A 21 -5.275 3.183 -4.247 1.00 0.00 C ATOM 272 CG LEU A 21 -4.335 2.050 -4.662 1.00 0.00 C ATOM 273 CD1 LEU A 21 -2.887 2.539 -4.739 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.484 0.845 -3.730 1.00 0.00 C ATOM 0 H LEU A 21 -6.902 2.004 -2.659 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.361 3.465 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.271 2.961 -4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.943 4.100 -4.734 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.617 1.721 -5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.240 1.714 -5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.812 3.341 -5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.576 2.911 -3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.805 0.054 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.243 1.142 -2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.510 0.480 -3.769 1.00 0.00 H new ATOM 286 N ILE A 22 -5.181 5.675 -1.846 1.00 0.00 N ATOM 287 CA ILE A 22 -5.636 7.003 -1.469 1.00 0.00 C ATOM 288 C ILE A 22 -4.881 8.049 -2.290 1.00 0.00 C ATOM 289 O ILE A 22 -3.777 7.791 -2.766 1.00 0.00 O ATOM 290 CB ILE A 22 -5.513 7.201 0.043 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.245 6.094 0.804 1.00 0.00 C ATOM 292 CG2 ILE A 22 -5.995 8.594 0.454 1.00 0.00 C ATOM 293 CD1 ILE A 22 -5.338 5.462 1.861 1.00 0.00 C ATOM 0 H ILE A 22 -4.198 5.488 -1.647 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.695 7.123 -1.698 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.459 7.132 0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.135 6.504 1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.582 5.329 0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.897 8.709 1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.392 9.351 -0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.040 8.716 0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.883 4.678 2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.461 5.032 1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.022 6.225 2.573 1.00 0.00 H new ATOM 416 N GLU A 30 -10.722 0.458 -3.327 1.00 0.00 N ATOM 417 CA GLU A 30 -10.251 -0.861 -2.940 1.00 0.00 C ATOM 418 C GLU A 30 -9.843 -1.663 -4.178 1.00 0.00 C ATOM 419 O GLU A 30 -10.629 -1.811 -5.112 1.00 0.00 O ATOM 420 CB GLU A 30 -11.312 -1.607 -2.129 1.00 0.00 C ATOM 421 CG GLU A 30 -11.754 -0.784 -0.917 1.00 0.00 C ATOM 422 CD GLU A 30 -12.772 -1.554 -0.073 1.00 0.00 C ATOM 423 OE1 GLU A 30 -13.710 -2.111 -0.684 1.00 0.00 O ATOM 424 OE2 GLU A 30 -12.589 -1.569 1.163 1.00 0.00 O ATOM 0 HA GLU A 30 -9.374 -0.740 -2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.174 -1.822 -2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.914 -2.566 -1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.886 -0.533 -0.307 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.191 0.157 -1.252 1.00 0.00 H new ATOM 431 N PHE A 31 -8.615 -2.159 -4.144 1.00 0.00 N ATOM 432 CA PHE A 31 -8.093 -2.941 -5.252 1.00 0.00 C ATOM 433 C PHE A 31 -7.777 -4.372 -4.811 1.00 0.00 C ATOM 434 O PHE A 31 -8.005 -4.735 -3.658 1.00 0.00 O ATOM 435 CB PHE A 31 -6.800 -2.264 -5.708 1.00 0.00 C ATOM 436 CG PHE A 31 -7.019 -1.058 -6.625 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.098 -1.233 -7.971 1.00 0.00 C ATOM 438 CD2 PHE A 31 -7.134 0.188 -6.093 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.302 -0.114 -8.821 1.00 0.00 C ATOM 440 CE2 PHE A 31 -7.337 1.307 -6.943 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.417 1.132 -8.289 1.00 0.00 C ATOM 0 H PHE A 31 -7.966 -2.035 -3.367 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.831 -2.990 -6.053 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.241 -1.943 -4.829 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.183 -2.996 -6.229 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.006 -2.223 -8.393 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.071 0.327 -5.024 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.366 -0.253 -9.890 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.428 2.297 -6.521 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.572 1.983 -8.936 1.00 0.00 H new ATOM 451 N LEU A 32 -7.258 -5.146 -5.752 1.00 0.00 N ATOM 452 CA LEU A 32 -6.908 -6.529 -5.476 1.00 0.00 C ATOM 453 C LEU A 32 -5.496 -6.807 -5.994 1.00 0.00 C ATOM 454 O LEU A 32 -5.157 -6.432 -7.115 1.00 0.00 O ATOM 455 CB LEU A 32 -7.969 -7.474 -6.045 1.00 0.00 C ATOM 456 CG LEU A 32 -9.244 -7.628 -5.214 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.468 -7.800 -6.115 1.00 0.00 C ATOM 458 CD2 LEU A 32 -9.108 -8.773 -4.208 1.00 0.00 C ATOM 0 H LEU A 32 -7.071 -4.842 -6.707 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.895 -6.711 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.247 -7.121 -7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.520 -8.459 -6.171 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.391 -6.712 -4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.361 -7.907 -5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.573 -6.925 -6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.344 -8.690 -6.732 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.028 -8.861 -3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.924 -9.706 -4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.275 -8.569 -3.535 1.00 0.00 H new ATOM 470 N PHE A 33 -4.709 -7.462 -5.152 1.00 0.00 N ATOM 471 CA PHE A 33 -3.341 -7.795 -5.511 1.00 0.00 C ATOM 472 C PHE A 33 -2.939 -9.156 -4.939 1.00 0.00 C ATOM 473 O PHE A 33 -3.571 -9.652 -4.007 1.00 0.00 O ATOM 474 CB PHE A 33 -2.444 -6.714 -4.904 1.00 0.00 C ATOM 475 CG PHE A 33 -2.689 -5.313 -5.467 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.630 -5.100 -6.809 1.00 0.00 C ATOM 477 CD2 PHE A 33 -2.965 -4.281 -4.626 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.857 -3.799 -7.332 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.193 -2.980 -5.149 1.00 0.00 C ATOM 480 CZ PHE A 33 -3.134 -2.767 -6.490 1.00 0.00 C ATOM 0 H PHE A 33 -4.993 -7.771 -4.222 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.242 -7.844 -6.595 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.598 -6.693 -3.825 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.402 -6.985 -5.072 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.411 -5.920 -7.477 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.011 -4.450 -3.560 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.810 -3.629 -8.398 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.413 -2.160 -4.481 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.307 -1.778 -6.887 1.00 0.00 H new ATOM 490 N SER A 34 -1.892 -9.720 -5.520 1.00 0.00 N ATOM 491 CA SER A 34 -1.398 -11.014 -5.080 1.00 0.00 C ATOM 492 C SER A 34 -0.110 -10.836 -4.274 1.00 0.00 C ATOM 493 O SER A 34 0.513 -9.777 -4.319 1.00 0.00 O ATOM 494 CB SER A 34 -1.156 -11.945 -6.269 1.00 0.00 C ATOM 495 OG SER A 34 0.163 -12.487 -6.263 1.00 0.00 O ATOM 0 H SER A 34 -1.371 -9.305 -6.292 1.00 0.00 H new ATOM 0 HA SER A 34 -2.156 -11.471 -4.444 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.882 -12.758 -6.247 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.319 -11.397 -7.197 1.00 0.00 H new ATOM 0 HG SER A 34 0.278 -13.077 -7.037 1.00 0.00 H new ATOM 501 N PRO A 35 0.260 -11.917 -3.536 1.00 0.00 N ATOM 502 CA PRO A 35 1.463 -11.890 -2.721 1.00 0.00 C ATOM 503 C PRO A 35 2.717 -12.010 -3.590 1.00 0.00 C ATOM 504 O PRO A 35 3.836 -11.917 -3.087 1.00 0.00 O ATOM 505 CB PRO A 35 1.303 -13.046 -1.746 1.00 0.00 C ATOM 506 CG PRO A 35 0.246 -13.956 -2.349 1.00 0.00 C ATOM 507 CD PRO A 35 -0.453 -13.188 -3.459 1.00 0.00 C ATOM 0 HA PRO A 35 1.588 -10.949 -2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.245 -13.577 -1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.996 -12.688 -0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.703 -14.864 -2.743 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.471 -14.264 -1.588 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.404 -13.727 -4.405 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.508 -13.037 -3.232 1.00 0.00 H new ATOM 515 N ASN A 36 2.487 -12.215 -4.879 1.00 0.00 N ATOM 516 CA ASN A 36 3.585 -12.348 -5.822 1.00 0.00 C ATOM 517 C ASN A 36 3.793 -11.018 -6.547 1.00 0.00 C ATOM 518 O ASN A 36 4.839 -10.794 -7.153 1.00 0.00 O ATOM 519 CB ASN A 36 3.280 -13.417 -6.873 1.00 0.00 C ATOM 520 CG ASN A 36 2.831 -14.723 -6.214 1.00 0.00 C ATOM 521 OD1 ASN A 36 3.278 -15.092 -5.140 1.00 0.00 O ATOM 522 ND2 ASN A 36 1.926 -15.400 -6.915 1.00 0.00 N ATOM 0 H ASN A 36 1.558 -12.292 -5.292 1.00 0.00 H new ATOM 0 HA ASN A 36 4.477 -12.634 -5.264 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.501 -13.059 -7.546 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.167 -13.598 -7.480 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.564 -16.285 -6.560 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.594 -15.034 -7.807 1.00 0.00 H new ATOM 529 N ASP A 37 2.779 -10.169 -6.462 1.00 0.00 N ATOM 530 CA ASP A 37 2.837 -8.866 -7.103 1.00 0.00 C ATOM 531 C ASP A 37 3.865 -7.993 -6.380 1.00 0.00 C ATOM 532 O ASP A 37 4.045 -8.112 -5.169 1.00 0.00 O ATOM 533 CB ASP A 37 1.483 -8.157 -7.034 1.00 0.00 C ATOM 534 CG ASP A 37 1.515 -6.667 -7.380 1.00 0.00 C ATOM 535 OD1 ASP A 37 2.268 -5.942 -6.696 1.00 0.00 O ATOM 536 OD2 ASP A 37 0.785 -6.288 -8.322 1.00 0.00 O ATOM 0 H ASP A 37 1.912 -10.358 -5.959 1.00 0.00 H new ATOM 0 HA ASP A 37 3.113 -9.016 -8.147 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.793 -8.658 -7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.080 -8.272 -6.028 1.00 0.00 H new ATOM 541 N SER A 38 4.513 -7.135 -7.154 1.00 0.00 N ATOM 542 CA SER A 38 5.519 -6.242 -6.603 1.00 0.00 C ATOM 543 C SER A 38 4.985 -4.809 -6.572 1.00 0.00 C ATOM 544 O SER A 38 4.159 -4.432 -7.403 1.00 0.00 O ATOM 545 CB SER A 38 6.816 -6.308 -7.411 1.00 0.00 C ATOM 546 OG SER A 38 6.584 -6.143 -8.808 1.00 0.00 O ATOM 0 H SER A 38 4.361 -7.039 -8.158 1.00 0.00 H new ATOM 0 HA SER A 38 5.741 -6.563 -5.585 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.500 -5.534 -7.063 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.304 -7.267 -7.235 1.00 0.00 H new ATOM 0 HG SER A 38 6.679 -5.197 -9.046 1.00 0.00 H new ATOM 552 N ALA A 39 5.478 -4.048 -5.606 1.00 0.00 N ATOM 553 CA ALA A 39 5.061 -2.664 -5.456 1.00 0.00 C ATOM 554 C ALA A 39 4.939 -2.020 -6.838 1.00 0.00 C ATOM 555 O ALA A 39 4.043 -1.211 -7.073 1.00 0.00 O ATOM 556 CB ALA A 39 6.053 -1.927 -4.554 1.00 0.00 C ATOM 0 H ALA A 39 6.163 -4.364 -4.919 1.00 0.00 H new ATOM 0 HA ALA A 39 4.083 -2.607 -4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.740 -0.889 -4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.080 -2.406 -3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.046 -1.960 -5.002 1.00 0.00 H new ATOM 562 N SER A 40 5.854 -2.403 -7.717 1.00 0.00 N ATOM 563 CA SER A 40 5.860 -1.873 -9.069 1.00 0.00 C ATOM 564 C SER A 40 4.531 -2.184 -9.760 1.00 0.00 C ATOM 565 O SER A 40 3.797 -1.273 -10.140 1.00 0.00 O ATOM 566 CB SER A 40 7.026 -2.444 -9.880 1.00 0.00 C ATOM 567 OG SER A 40 6.994 -3.868 -9.929 1.00 0.00 O ATOM 0 H SER A 40 6.596 -3.074 -7.519 1.00 0.00 H new ATOM 0 HA SER A 40 5.988 -0.792 -9.011 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.992 -2.045 -10.894 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.968 -2.117 -9.440 1.00 0.00 H new ATOM 0 HG SER A 40 7.753 -4.194 -10.456 1.00 0.00 H new ATOM 573 N ASP A 41 4.261 -3.473 -9.901 1.00 0.00 N ATOM 574 CA ASP A 41 3.033 -3.916 -10.538 1.00 0.00 C ATOM 575 C ASP A 41 1.871 -3.047 -10.054 1.00 0.00 C ATOM 576 O ASP A 41 1.211 -2.385 -10.853 1.00 0.00 O ATOM 577 CB ASP A 41 2.719 -5.370 -10.179 1.00 0.00 C ATOM 578 CG ASP A 41 3.631 -6.409 -10.834 1.00 0.00 C ATOM 579 OD1 ASP A 41 4.386 -6.008 -11.746 1.00 0.00 O ATOM 580 OD2 ASP A 41 3.553 -7.581 -10.407 1.00 0.00 O ATOM 0 H ASP A 41 4.872 -4.226 -9.585 1.00 0.00 H new ATOM 0 HA ASP A 41 3.163 -3.832 -11.617 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.783 -5.483 -9.097 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.688 -5.584 -10.462 1.00 0.00 H new ATOM 585 N ILE A 42 1.655 -3.079 -8.747 1.00 0.00 N ATOM 586 CA ILE A 42 0.583 -2.303 -8.147 1.00 0.00 C ATOM 587 C ILE A 42 0.651 -0.864 -8.661 1.00 0.00 C ATOM 588 O ILE A 42 -0.260 -0.401 -9.346 1.00 0.00 O ATOM 589 CB ILE A 42 0.631 -2.414 -6.622 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.248 -3.822 -6.162 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.240 -1.340 -5.966 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.023 -4.217 -4.903 1.00 0.00 C ATOM 0 H ILE A 42 2.204 -3.630 -8.087 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.387 -2.702 -8.443 1.00 0.00 H new ATOM 0 HB ILE A 42 1.657 -2.238 -6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.823 -3.865 -5.963 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.453 -4.537 -6.959 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.188 -1.441 -4.882 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.120 -0.353 -6.256 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.273 -1.460 -6.292 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.732 -5.222 -4.597 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.092 -4.197 -5.113 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.797 -3.514 -4.101 1.00 0.00 H new ATOM 604 N ALA A 43 1.741 -0.195 -8.312 1.00 0.00 N ATOM 605 CA ALA A 43 1.940 1.182 -8.730 1.00 0.00 C ATOM 606 C ALA A 43 1.487 1.340 -10.183 1.00 0.00 C ATOM 607 O ALA A 43 0.661 2.199 -10.490 1.00 0.00 O ATOM 608 CB ALA A 43 3.407 1.569 -8.531 1.00 0.00 C ATOM 0 H ALA A 43 2.495 -0.582 -7.744 1.00 0.00 H new ATOM 0 HA ALA A 43 1.339 1.858 -8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.557 2.602 -8.845 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.670 1.468 -7.478 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.041 0.913 -9.128 1.00 0.00 H new ATOM 614 N LYS A 44 2.048 0.498 -11.039 1.00 0.00 N ATOM 615 CA LYS A 44 1.712 0.534 -12.452 1.00 0.00 C ATOM 616 C LYS A 44 0.204 0.331 -12.619 1.00 0.00 C ATOM 617 O LYS A 44 -0.470 1.149 -13.244 1.00 0.00 O ATOM 618 CB LYS A 44 2.558 -0.476 -13.230 1.00 0.00 C ATOM 619 CG LYS A 44 2.250 -0.412 -14.727 1.00 0.00 C ATOM 620 CD LYS A 44 3.537 -0.300 -15.547 1.00 0.00 C ATOM 621 CE LYS A 44 4.148 -1.680 -15.800 1.00 0.00 C ATOM 622 NZ LYS A 44 5.115 -1.622 -16.919 1.00 0.00 N ATOM 0 H LYS A 44 2.733 -0.213 -10.781 1.00 0.00 H new ATOM 0 HA LYS A 44 1.952 1.509 -12.876 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.616 -0.274 -13.064 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.363 -1.482 -12.858 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.700 -1.304 -15.027 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.607 0.444 -14.933 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.325 0.188 -16.498 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.255 0.328 -15.020 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.647 -2.034 -14.898 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.360 -2.397 -16.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.520 -2.567 -17.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.629 -1.305 -17.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.877 -0.954 -16.685 1.00 0.00 H new ATOM 636 N HIS A 45 -0.280 -0.762 -12.049 1.00 0.00 N ATOM 637 CA HIS A 45 -1.695 -1.083 -12.127 1.00 0.00 C ATOM 638 C HIS A 45 -2.520 0.196 -11.967 1.00 0.00 C ATOM 639 O HIS A 45 -3.198 0.623 -12.900 1.00 0.00 O ATOM 640 CB HIS A 45 -2.065 -2.159 -11.105 1.00 0.00 C ATOM 641 CG HIS A 45 -3.529 -2.530 -11.106 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.000 -3.725 -11.620 1.00 0.00 N ATOM 643 CD2 HIS A 45 -4.621 -1.850 -10.650 1.00 0.00 C ATOM 644 CE1 HIS A 45 -5.317 -3.753 -11.476 1.00 0.00 C ATOM 645 NE2 HIS A 45 -5.699 -2.590 -10.875 1.00 0.00 N ATOM 0 H HIS A 45 0.283 -1.437 -11.531 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.924 -1.502 -13.107 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.474 -3.053 -11.304 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.790 -1.810 -10.110 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.610 -0.875 -10.185 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.972 -4.555 -11.781 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.657 -2.331 -10.637 1.00 0.00 H new ATOM 997 N LEU A 67 5.182 3.575 -3.489 1.00 0.00 N ATOM 998 CA LEU A 67 3.992 3.267 -2.714 1.00 0.00 C ATOM 999 C LEU A 67 4.283 3.491 -1.229 1.00 0.00 C ATOM 1000 O LEU A 67 5.292 3.013 -0.712 1.00 0.00 O ATOM 1001 CB LEU A 67 3.491 1.858 -3.037 1.00 0.00 C ATOM 1002 CG LEU A 67 3.148 0.976 -1.835 1.00 0.00 C ATOM 1003 CD1 LEU A 67 1.980 1.562 -1.040 1.00 0.00 C ATOM 1004 CD2 LEU A 67 2.878 -0.466 -2.272 1.00 0.00 C ATOM 0 HA LEU A 67 3.178 3.939 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.604 1.944 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.252 1.350 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 67 4.011 0.955 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.757 0.916 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.247 2.555 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.102 1.633 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.637 -1.072 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.040 -0.484 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.765 -0.870 -2.760 1.00 0.00 H new ATOM 1016 N ILE A 68 3.382 4.218 -0.585 1.00 0.00 N ATOM 1017 CA ILE A 68 3.530 4.510 0.831 1.00 0.00 C ATOM 1018 C ILE A 68 2.612 3.589 1.636 1.00 0.00 C ATOM 1019 O ILE A 68 1.458 3.377 1.266 1.00 0.00 O ATOM 1020 CB ILE A 68 3.294 5.998 1.097 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.409 6.849 0.484 1.00 0.00 C ATOM 1022 CG2 ILE A 68 3.125 6.267 2.594 1.00 0.00 C ATOM 1023 CD1 ILE A 68 3.992 7.397 -0.882 1.00 0.00 C ATOM 0 H ILE A 68 2.547 4.613 -1.017 1.00 0.00 H new ATOM 0 HA ILE A 68 4.550 4.308 1.158 1.00 0.00 H new ATOM 0 HB ILE A 68 2.363 6.288 0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.651 7.675 1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.313 6.249 0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.959 7.332 2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.270 5.705 2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.026 5.956 3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.802 7.998 -1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.775 6.568 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.102 8.016 -0.769 1.00 0.00 H new ATOM 1035 N TYR A 69 3.159 3.064 2.723 1.00 0.00 N ATOM 1036 CA TYR A 69 2.404 2.170 3.584 1.00 0.00 C ATOM 1037 C TYR A 69 2.561 2.563 5.055 1.00 0.00 C ATOM 1038 O TYR A 69 3.672 2.578 5.582 1.00 0.00 O ATOM 1039 CB TYR A 69 3.002 0.778 3.374 1.00 0.00 C ATOM 1040 CG TYR A 69 2.311 -0.324 4.179 1.00 0.00 C ATOM 1041 CD1 TYR A 69 1.013 -0.150 4.615 1.00 0.00 C ATOM 1042 CD2 TYR A 69 2.986 -1.493 4.471 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.363 -1.188 5.373 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.335 -2.530 5.229 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.056 -2.326 5.642 1.00 0.00 C ATOM 1046 OH TYR A 69 0.442 -3.306 6.358 1.00 0.00 O ATOM 0 H TYR A 69 4.116 3.241 3.027 1.00 0.00 H new ATOM 0 HA TYR A 69 1.342 2.210 3.342 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.949 0.527 2.315 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.058 0.803 3.644 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.485 0.764 4.388 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.002 -1.629 4.131 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.652 -1.065 5.720 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.851 -3.449 5.464 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.523 -3.280 6.188 1.00 0.00 H new ATOM 1056 N GLN A 70 1.431 2.870 5.675 1.00 0.00 N ATOM 1057 CA GLN A 70 1.429 3.262 7.075 1.00 0.00 C ATOM 1058 C GLN A 70 2.320 4.488 7.284 1.00 0.00 C ATOM 1059 O GLN A 70 2.882 4.675 8.362 1.00 0.00 O ATOM 1060 CB GLN A 70 1.873 2.103 7.969 1.00 0.00 C ATOM 1061 CG GLN A 70 0.668 1.310 8.478 1.00 0.00 C ATOM 1062 CD GLN A 70 0.627 1.296 10.008 1.00 0.00 C ATOM 1063 OE1 GLN A 70 1.595 1.605 10.683 1.00 0.00 O ATOM 1064 NE2 GLN A 70 -0.544 0.920 10.514 1.00 0.00 N ATOM 0 H GLN A 70 0.511 2.855 5.234 1.00 0.00 H new ATOM 0 HA GLN A 70 0.410 3.526 7.357 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.538 1.443 7.412 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.442 2.489 8.815 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.251 1.749 8.090 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.716 0.288 8.103 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.314 0.675 9.891 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.673 0.877 11.525 1.00 0.00 H new ATOM 1073 N GLY A 71 2.421 5.293 6.236 1.00 0.00 N ATOM 1074 CA GLY A 71 3.233 6.496 6.291 1.00 0.00 C ATOM 1075 C GLY A 71 4.614 6.254 5.677 1.00 0.00 C ATOM 1076 O GLY A 71 5.198 7.157 5.080 1.00 0.00 O ATOM 0 H GLY A 71 1.953 5.135 5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.730 7.303 5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.343 6.818 7.327 1.00 0.00 H new ATOM 1080 N ARG A 72 5.095 5.031 5.845 1.00 0.00 N ATOM 1081 CA ARG A 72 6.395 4.659 5.314 1.00 0.00 C ATOM 1082 C ARG A 72 6.292 4.357 3.818 1.00 0.00 C ATOM 1083 O ARG A 72 5.204 4.408 3.245 1.00 0.00 O ATOM 1084 CB ARG A 72 6.955 3.433 6.038 1.00 0.00 C ATOM 1085 CG ARG A 72 7.792 3.846 7.250 1.00 0.00 C ATOM 1086 CD ARG A 72 8.229 2.622 8.057 1.00 0.00 C ATOM 1087 NE ARG A 72 9.704 2.602 8.187 1.00 0.00 N ATOM 1088 CZ ARG A 72 10.403 1.555 8.647 1.00 0.00 C ATOM 1089 NH1 ARG A 72 9.767 0.438 9.023 1.00 0.00 N ATOM 1090 NH2 ARG A 72 11.738 1.626 8.730 1.00 0.00 N ATOM 0 H ARG A 72 4.608 4.285 6.341 1.00 0.00 H new ATOM 0 HA ARG A 72 7.070 5.500 5.472 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.135 2.791 6.360 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.567 2.849 5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.670 4.400 6.918 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.213 4.517 7.885 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.769 2.644 9.045 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.886 1.711 7.566 1.00 0.00 H new ATOM 0 HE ARG A 72 10.220 3.437 7.909 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.750 0.384 8.959 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.299 -0.359 9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.222 2.477 8.443 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.270 0.829 9.080 1.00 0.00 H new ATOM 1104 N PHE A 73 7.437 4.049 3.228 1.00 0.00 N ATOM 1105 CA PHE A 73 7.489 3.738 1.810 1.00 0.00 C ATOM 1106 C PHE A 73 8.010 2.318 1.578 1.00 0.00 C ATOM 1107 O PHE A 73 8.986 1.902 2.201 1.00 0.00 O ATOM 1108 CB PHE A 73 8.456 4.735 1.169 1.00 0.00 C ATOM 1109 CG PHE A 73 7.975 6.186 1.214 1.00 0.00 C ATOM 1110 CD1 PHE A 73 7.879 6.834 2.406 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.644 6.829 0.062 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.432 8.181 2.448 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.197 8.176 0.104 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.100 8.824 1.296 1.00 0.00 C ATOM 0 H PHE A 73 8.337 4.008 3.707 1.00 0.00 H new ATOM 0 HA PHE A 73 6.491 3.804 1.378 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.420 4.667 1.674 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.620 4.450 0.130 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.143 6.324 3.321 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.721 6.315 -0.885 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.356 8.695 3.395 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.934 8.686 -0.811 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.760 9.848 1.328 1.00 0.00 H new ATOM 1124 N LEU A 74 7.336 1.614 0.680 1.00 0.00 N ATOM 1125 CA LEU A 74 7.719 0.250 0.359 1.00 0.00 C ATOM 1126 C LEU A 74 8.620 0.256 -0.878 1.00 0.00 C ATOM 1127 O LEU A 74 8.483 1.117 -1.746 1.00 0.00 O ATOM 1128 CB LEU A 74 6.479 -0.634 0.212 1.00 0.00 C ATOM 1129 CG LEU A 74 5.657 -0.852 1.484 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.393 -1.663 1.187 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.506 -1.496 2.582 1.00 0.00 C ATOM 0 H LEU A 74 6.528 1.963 0.165 1.00 0.00 H new ATOM 0 HA LEU A 74 8.298 -0.185 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.830 -0.193 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.793 -1.607 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 74 5.336 0.122 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.827 -1.804 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.780 -1.128 0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.672 -2.635 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.898 -1.640 3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.877 -2.461 2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.349 -0.847 2.818 1.00 0.00 H new ATOM 1143 N HIS A 75 9.520 -0.715 -0.920 1.00 0.00 N ATOM 1144 CA HIS A 75 10.443 -0.833 -2.036 1.00 0.00 C ATOM 1145 C HIS A 75 9.678 -1.251 -3.293 1.00 0.00 C ATOM 1146 O HIS A 75 8.579 -1.797 -3.202 1.00 0.00 O ATOM 1147 CB HIS A 75 11.590 -1.787 -1.695 1.00 0.00 C ATOM 1148 CG HIS A 75 12.953 -1.278 -2.099 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.564 -1.637 -3.288 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.815 -0.436 -1.461 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.741 -1.032 -3.352 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.895 -0.288 -2.219 1.00 0.00 N ATOM 0 H HIS A 75 9.630 -1.428 -0.199 1.00 0.00 H new ATOM 0 HA HIS A 75 10.901 0.135 -2.237 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.587 -1.973 -0.621 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.411 -2.744 -2.185 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.648 0.031 -0.502 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.454 -1.114 -4.160 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.706 0.287 -1.992 1.00 0.00 H new ATOM 1160 N GLY A 76 10.289 -0.979 -4.437 1.00 0.00 N ATOM 1161 CA GLY A 76 9.679 -1.321 -5.710 1.00 0.00 C ATOM 1162 C GLY A 76 9.791 -2.821 -5.987 1.00 0.00 C ATOM 1163 O GLY A 76 9.002 -3.376 -6.751 1.00 0.00 O ATOM 0 H GLY A 76 11.200 -0.526 -4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.630 -1.026 -5.705 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.163 -0.763 -6.511 1.00 0.00 H new ATOM 1167 N ASN A 77 10.777 -3.436 -5.351 1.00 0.00 N ATOM 1168 CA ASN A 77 11.003 -4.862 -5.520 1.00 0.00 C ATOM 1169 C ASN A 77 10.168 -5.630 -4.493 1.00 0.00 C ATOM 1170 O ASN A 77 9.901 -6.818 -4.669 1.00 0.00 O ATOM 1171 CB ASN A 77 12.474 -5.217 -5.294 1.00 0.00 C ATOM 1172 CG ASN A 77 13.045 -5.975 -6.494 1.00 0.00 C ATOM 1173 OD1 ASN A 77 13.166 -7.189 -6.494 1.00 0.00 O ATOM 1174 ND2 ASN A 77 13.388 -5.193 -7.514 1.00 0.00 N ATOM 0 H ASN A 77 11.429 -2.973 -4.718 1.00 0.00 H new ATOM 0 HA ASN A 77 10.720 -5.131 -6.538 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.050 -4.307 -5.127 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.571 -5.826 -4.395 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.779 -5.603 -8.362 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.260 -4.183 -7.448 1.00 0.00 H new ATOM 1181 N VAL A 78 9.779 -4.921 -3.444 1.00 0.00 N ATOM 1182 CA VAL A 78 8.980 -5.522 -2.389 1.00 0.00 C ATOM 1183 C VAL A 78 7.704 -6.111 -2.995 1.00 0.00 C ATOM 1184 O VAL A 78 7.192 -5.601 -3.990 1.00 0.00 O ATOM 1185 CB VAL A 78 8.700 -4.492 -1.293 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.490 -4.901 -0.452 1.00 0.00 C ATOM 1187 CG2 VAL A 78 9.934 -4.279 -0.413 1.00 0.00 C ATOM 0 H VAL A 78 10.002 -3.936 -3.302 1.00 0.00 H new ATOM 0 HA VAL A 78 9.524 -6.340 -1.917 1.00 0.00 H new ATOM 0 HB VAL A 78 8.466 -3.544 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.313 -4.152 0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.611 -4.977 -1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.682 -5.866 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.708 -3.542 0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.213 -5.222 0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.761 -3.921 -1.026 1.00 0.00 H new ATOM 1197 N THR A 79 7.228 -7.178 -2.369 1.00 0.00 N ATOM 1198 CA THR A 79 6.023 -7.842 -2.834 1.00 0.00 C ATOM 1199 C THR A 79 5.131 -8.219 -1.649 1.00 0.00 C ATOM 1200 O THR A 79 5.624 -8.661 -0.612 1.00 0.00 O ATOM 1201 CB THR A 79 6.442 -9.042 -3.685 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.255 -9.821 -2.811 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.387 -8.652 -4.823 1.00 0.00 C ATOM 0 H THR A 79 7.656 -7.599 -1.544 1.00 0.00 H new ATOM 0 HA THR A 79 5.421 -7.179 -3.456 1.00 0.00 H new ATOM 0 HB THR A 79 5.554 -9.521 -4.098 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.569 -10.621 -3.282 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.653 -9.541 -5.396 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.892 -7.934 -5.477 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.290 -8.203 -4.409 1.00 0.00 H new ATOM 1211 N LEU A 80 3.834 -8.031 -1.842 1.00 0.00 N ATOM 1212 CA LEU A 80 2.869 -8.346 -0.803 1.00 0.00 C ATOM 1213 C LEU A 80 3.274 -9.651 -0.115 1.00 0.00 C ATOM 1214 O LEU A 80 2.995 -9.847 1.067 1.00 0.00 O ATOM 1215 CB LEU A 80 1.451 -8.368 -1.377 1.00 0.00 C ATOM 1216 CG LEU A 80 0.872 -7.012 -1.786 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.539 -7.168 -2.358 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.910 -6.025 -0.617 1.00 0.00 C ATOM 0 H LEU A 80 3.429 -7.664 -2.703 1.00 0.00 H new ATOM 0 HA LEU A 80 2.866 -7.569 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.443 -9.022 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.788 -8.816 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 80 1.497 -6.599 -2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.927 -6.190 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.506 -7.813 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.190 -7.613 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.493 -5.069 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.323 -6.420 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.941 -5.882 -0.295 1.00 0.00 H new ATOM 1230 N GLY A 81 3.926 -10.511 -0.884 1.00 0.00 N ATOM 1231 CA GLY A 81 4.373 -11.792 -0.364 1.00 0.00 C ATOM 1232 C GLY A 81 5.411 -11.602 0.744 1.00 0.00 C ATOM 1233 O GLY A 81 5.243 -12.112 1.850 1.00 0.00 O ATOM 0 H GLY A 81 4.155 -10.345 -1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.520 -12.349 0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.802 -12.386 -1.171 1.00 0.00 H new ATOM 1237 N ALA A 82 6.460 -10.866 0.408 1.00 0.00 N ATOM 1238 CA ALA A 82 7.525 -10.602 1.361 1.00 0.00 C ATOM 1239 C ALA A 82 6.954 -9.843 2.560 1.00 0.00 C ATOM 1240 O ALA A 82 7.570 -9.803 3.624 1.00 0.00 O ATOM 1241 CB ALA A 82 8.652 -9.834 0.667 1.00 0.00 C ATOM 0 H ALA A 82 6.595 -10.444 -0.511 1.00 0.00 H new ATOM 0 HA ALA A 82 7.948 -11.535 1.733 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.451 -9.636 1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.043 -10.429 -0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.266 -8.890 0.283 1.00 0.00 H new ATOM 1247 N LEU A 83 5.784 -9.259 2.348 1.00 0.00 N ATOM 1248 CA LEU A 83 5.123 -8.503 3.398 1.00 0.00 C ATOM 1249 C LEU A 83 4.207 -9.436 4.192 1.00 0.00 C ATOM 1250 O LEU A 83 3.565 -9.012 5.152 1.00 0.00 O ATOM 1251 CB LEU A 83 4.403 -7.288 2.811 1.00 0.00 C ATOM 1252 CG LEU A 83 5.266 -6.329 1.988 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.405 -5.270 1.298 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.364 -5.703 2.850 1.00 0.00 C ATOM 0 H LEU A 83 5.276 -9.294 1.464 1.00 0.00 H new ATOM 0 HA LEU A 83 5.856 -8.103 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.588 -7.643 2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.952 -6.727 3.630 1.00 0.00 H new ATOM 0 HG LEU A 83 5.760 -6.902 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.044 -4.602 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.693 -5.757 0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.864 -4.695 2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.963 -5.026 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.910 -5.148 3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.003 -6.489 3.253 1.00 0.00 H new ATOM 1266 N LYS A 84 4.176 -10.690 3.763 1.00 0.00 N ATOM 1267 CA LYS A 84 3.349 -11.686 4.423 1.00 0.00 C ATOM 1268 C LYS A 84 2.104 -11.009 5.000 1.00 0.00 C ATOM 1269 O LYS A 84 1.739 -11.249 6.150 1.00 0.00 O ATOM 1270 CB LYS A 84 4.166 -12.458 5.460 1.00 0.00 C ATOM 1271 CG LYS A 84 4.950 -11.503 6.362 1.00 0.00 C ATOM 1272 CD LYS A 84 4.051 -10.916 7.452 1.00 0.00 C ATOM 1273 CE LYS A 84 4.883 -10.373 8.616 1.00 0.00 C ATOM 1274 NZ LYS A 84 4.005 -9.972 9.738 1.00 0.00 N ATOM 0 H LYS A 84 4.710 -11.038 2.967 1.00 0.00 H new ATOM 0 HA LYS A 84 3.003 -12.430 3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.502 -13.074 6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.855 -13.135 4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.785 -12.033 6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.375 -10.697 5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.440 -10.116 7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.367 -11.683 7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.588 -11.133 8.952 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.471 -9.518 8.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.586 -9.606 10.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.349 -9.231 9.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.463 -10.797 10.066 1.00 0.00 H new ATOM 1288 N LEU A 85 1.487 -10.175 4.176 1.00 0.00 N ATOM 1289 CA LEU A 85 0.291 -9.461 4.590 1.00 0.00 C ATOM 1290 C LEU A 85 -0.857 -10.457 4.766 1.00 0.00 C ATOM 1291 O LEU A 85 -0.890 -11.494 4.106 1.00 0.00 O ATOM 1292 CB LEU A 85 -0.023 -8.328 3.611 1.00 0.00 C ATOM 1293 CG LEU A 85 0.029 -6.911 4.186 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.190 -6.761 5.172 1.00 0.00 C ATOM 1295 CD2 LEU A 85 0.087 -5.868 3.069 1.00 0.00 C ATOM 0 H LEU A 85 1.793 -9.978 3.223 1.00 0.00 H new ATOM 0 HA LEU A 85 0.449 -8.982 5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.680 -8.387 2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.018 -8.495 3.199 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.891 -6.735 4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.204 -5.745 5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.063 -7.467 5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.131 -6.965 4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.123 -4.870 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.979 -6.032 2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.799 -5.958 2.441 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.794 -10.098 5.684 1.00 0.00 N ATOM 1308 CA PRO A 86 -2.940 -10.948 5.955 1.00 0.00 C ATOM 1309 C PRO A 86 -3.966 -10.863 4.824 1.00 0.00 C ATOM 1310 O PRO A 86 -4.366 -9.770 4.425 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.484 -10.461 7.288 1.00 0.00 C ATOM 1312 CG PRO A 86 -2.913 -9.067 7.488 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.786 -8.877 6.485 1.00 0.00 C ATOM 0 HA PRO A 86 -2.677 -12.004 6.009 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.574 -10.439 7.280 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.184 -11.126 8.098 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.686 -8.313 7.341 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.542 -8.949 8.506 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.952 -7.996 5.865 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.828 -8.739 6.987 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.363 -12.030 4.338 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.334 -12.101 3.260 1.00 0.00 C ATOM 1323 C PHE A 87 -6.743 -11.792 3.771 1.00 0.00 C ATOM 1324 O PHE A 87 -6.952 -11.642 4.973 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.302 -13.533 2.722 1.00 0.00 C ATOM 1326 CG PHE A 87 -3.954 -13.944 2.127 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.170 -13.017 1.514 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.539 -15.237 2.211 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -1.919 -13.399 0.961 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.288 -15.618 1.659 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.504 -14.691 1.046 1.00 0.00 C ATOM 0 H PHE A 87 -4.029 -12.934 4.671 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.088 -11.371 2.489 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.555 -14.219 3.530 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.073 -13.641 1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.499 -11.990 1.448 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.161 -15.973 2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.297 -12.663 0.473 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.959 -16.644 1.726 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.552 -14.981 0.627 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.673 -11.707 2.831 1.00 0.00 N ATOM 1342 CA GLY A 88 -9.056 -11.419 3.170 1.00 0.00 C ATOM 1343 C GLY A 88 -9.148 -10.243 4.145 1.00 0.00 C ATOM 1344 O GLY A 88 -10.001 -10.232 5.032 1.00 0.00 O ATOM 0 H GLY A 88 -7.496 -11.833 1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.616 -11.189 2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.517 -12.301 3.614 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.258 -9.281 3.948 1.00 0.00 N ATOM 1349 CA LYS A 89 -8.227 -8.104 4.799 1.00 0.00 C ATOM 1350 C LYS A 89 -8.108 -6.853 3.926 1.00 0.00 C ATOM 1351 O LYS A 89 -8.021 -6.951 2.703 1.00 0.00 O ATOM 1352 CB LYS A 89 -7.121 -8.229 5.848 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.595 -9.050 7.049 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.653 -8.189 8.313 1.00 0.00 C ATOM 1355 CE LYS A 89 -8.933 -8.464 9.105 1.00 0.00 C ATOM 1356 NZ LYS A 89 -10.089 -7.790 8.472 1.00 0.00 N ATOM 0 H LYS A 89 -7.553 -9.293 3.211 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.157 -8.015 5.360 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.245 -8.701 5.403 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.815 -7.237 6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.581 -9.467 6.843 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.920 -9.891 7.208 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.783 -8.394 8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.609 -7.134 8.041 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.113 -9.538 9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.816 -8.112 10.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.949 -7.987 9.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.921 -6.764 8.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.209 -8.145 7.502 1.00 0.00 H new ATOM 1370 N THR A 90 -8.108 -5.706 4.590 1.00 0.00 N ATOM 1371 CA THR A 90 -8.001 -4.437 3.890 1.00 0.00 C ATOM 1372 C THR A 90 -6.822 -3.626 4.432 1.00 0.00 C ATOM 1373 O THR A 90 -6.804 -3.259 5.606 1.00 0.00 O ATOM 1374 CB THR A 90 -9.344 -3.714 4.014 1.00 0.00 C ATOM 1375 OG1 THR A 90 -10.233 -4.494 3.221 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.337 -2.345 3.330 1.00 0.00 C ATOM 0 H THR A 90 -8.180 -5.629 5.605 1.00 0.00 H new ATOM 0 HA THR A 90 -7.792 -4.586 2.831 1.00 0.00 H new ATOM 0 HB THR A 90 -9.594 -3.592 5.068 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.128 -4.097 3.247 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.313 -1.875 3.448 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.573 -1.715 3.785 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.120 -2.469 2.269 1.00 0.00 H new ATOM 1384 N THR A 91 -5.866 -3.371 3.551 1.00 0.00 N ATOM 1385 CA THR A 91 -4.686 -2.611 3.926 1.00 0.00 C ATOM 1386 C THR A 91 -4.795 -1.172 3.418 1.00 0.00 C ATOM 1387 O THR A 91 -5.419 -0.919 2.389 1.00 0.00 O ATOM 1388 CB THR A 91 -3.457 -3.352 3.395 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.244 -4.395 4.342 1.00 0.00 O ATOM 1390 CG2 THR A 91 -2.184 -2.508 3.476 1.00 0.00 C ATOM 0 H THR A 91 -5.885 -3.677 2.578 1.00 0.00 H new ATOM 0 HA THR A 91 -4.593 -2.534 5.009 1.00 0.00 H new ATOM 0 HB THR A 91 -3.631 -3.647 2.360 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.466 -4.927 4.074 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.342 -3.081 3.087 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.310 -1.601 2.884 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.991 -2.240 4.515 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.177 -0.267 4.163 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.196 1.140 3.801 1.00 0.00 C ATOM 1400 C VAL A 92 -2.819 1.546 3.274 1.00 0.00 C ATOM 1401 O VAL A 92 -1.800 1.255 3.899 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.651 1.981 4.996 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.549 3.476 4.684 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -6.071 1.606 5.422 1.00 0.00 C ATOM 0 H VAL A 92 -3.660 -0.481 5.016 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.915 1.319 3.001 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.984 1.766 5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.878 4.052 5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.515 3.729 4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.182 3.713 3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.369 2.219 6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.757 1.778 4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.100 0.554 5.705 1.00 0.00 H new ATOM 1414 N MET A 93 -2.831 2.211 2.128 1.00 0.00 N ATOM 1415 CA MET A 93 -1.595 2.659 1.509 1.00 0.00 C ATOM 1416 C MET A 93 -1.828 3.915 0.667 1.00 0.00 C ATOM 1417 O MET A 93 -2.911 4.105 0.115 1.00 0.00 O ATOM 1418 CB MET A 93 -1.035 1.546 0.622 1.00 0.00 C ATOM 1419 CG MET A 93 -0.297 0.498 1.458 1.00 0.00 C ATOM 1420 SD MET A 93 0.298 -0.815 0.405 1.00 0.00 S ATOM 1421 CE MET A 93 0.862 -1.973 1.641 1.00 0.00 C ATOM 0 H MET A 93 -3.678 2.450 1.612 1.00 0.00 H new ATOM 0 HA MET A 93 -0.882 2.900 2.298 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.847 1.071 0.072 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.356 1.972 -0.116 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.539 0.962 1.982 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.964 0.092 2.218 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.714 -2.991 1.281 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.921 -1.808 1.837 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.296 -1.828 2.561 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.794 4.740 0.594 1.00 0.00 N ATOM 1432 CA HIS A 94 -0.872 5.972 -0.172 1.00 0.00 C ATOM 1433 C HIS A 94 0.003 5.856 -1.422 1.00 0.00 C ATOM 1434 O HIS A 94 0.843 4.962 -1.515 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.506 7.177 0.698 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.605 7.611 1.638 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -1.765 8.923 2.048 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.596 6.895 2.243 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -2.808 8.983 2.863 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -3.321 7.724 2.983 1.00 0.00 N ATOM 0 H HIS A 94 0.103 4.579 1.053 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.898 6.134 -0.503 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.383 6.935 1.281 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.244 8.014 0.050 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -1.179 9.710 1.770 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.762 5.833 2.138 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.186 9.872 3.347 1.00 0.00 H new