USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=9 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 34 SER OG : rot 124:sc= 0.821 USER MOD Set 1.2: A 36 ASN : amide:sc= 0.607 X(o=1.4,f=0.94) USER MOD Set 2.1: A 18 ASN : amide:sc= -3.78! C(o=-3.7!,f=-4.8!) USER MOD Set 2.2: A 90 THR OG1 : rot 180:sc= 0.0352 USER MOD Single : A 16 MET CE :methyl 180:sc= -0.554 (180deg=-0.554) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -2.55! C(o=-2.5!,f=-5!) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 GLN : amide:sc=-0.00395 X(o=-0.0039,f=-0.0088) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.0704 X(o=-0.07,f=-0.4) 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 160:sc= 0 USER MOD Single : A 93 MET CE :methyl -175:sc= -5.59! (180deg=-5.77!) USER MOD Single : A 94 HIS :FLIP no HE2:sc= -1.1 F(o=-2.2!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 122 N VAL A 12 -13.670 -9.711 -0.696 1.00 0.00 N ATOM 123 CA VAL A 12 -12.293 -10.040 -1.024 1.00 0.00 C ATOM 124 C VAL A 12 -12.018 -11.497 -0.647 1.00 0.00 C ATOM 125 O VAL A 12 -12.433 -11.956 0.416 1.00 0.00 O ATOM 126 CB VAL A 12 -11.343 -9.055 -0.340 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.883 -9.438 -0.591 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.620 -7.621 -0.794 1.00 0.00 C ATOM 0 HA VAL A 12 -12.122 -9.944 -2.096 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.523 -9.106 0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.228 -8.722 -0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.696 -10.436 -0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.684 -9.429 -1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.931 -6.941 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.482 -7.548 -1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.645 -7.351 -0.541 1.00 0.00 H new ATOM 138 N PRO A 13 -11.300 -12.202 -1.562 1.00 0.00 N ATOM 139 CA PRO A 13 -10.964 -13.597 -1.336 1.00 0.00 C ATOM 140 C PRO A 13 -9.843 -13.731 -0.303 1.00 0.00 C ATOM 141 O PRO A 13 -9.413 -12.739 0.283 1.00 0.00 O ATOM 142 CB PRO A 13 -10.578 -14.136 -2.703 1.00 0.00 C ATOM 143 CG PRO A 13 -10.264 -12.918 -3.558 1.00 0.00 C ATOM 144 CD PRO A 13 -10.791 -11.691 -2.831 1.00 0.00 C ATOM 0 HA PRO A 13 -11.794 -14.166 -0.918 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.714 -14.797 -2.633 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.391 -14.719 -3.137 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.190 -12.833 -3.722 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.730 -13.010 -4.539 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.003 -10.955 -2.674 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.577 -11.199 -3.404 1.00 0.00 H new ATOM 152 N ALA A 14 -9.403 -14.966 -0.111 1.00 0.00 N ATOM 153 CA ALA A 14 -8.341 -15.242 0.841 1.00 0.00 C ATOM 154 C ALA A 14 -7.042 -15.523 0.083 1.00 0.00 C ATOM 155 O ALA A 14 -6.030 -15.875 0.687 1.00 0.00 O ATOM 156 CB ALA A 14 -8.753 -16.407 1.743 1.00 0.00 C ATOM 0 H ALA A 14 -9.763 -15.787 -0.599 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.168 -14.378 1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.956 -16.614 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.664 -16.146 2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.933 -17.293 1.134 1.00 0.00 H new ATOM 162 N ASP A 15 -7.113 -15.357 -1.230 1.00 0.00 N ATOM 163 CA ASP A 15 -5.956 -15.589 -2.077 1.00 0.00 C ATOM 164 C ASP A 15 -5.393 -14.244 -2.543 1.00 0.00 C ATOM 165 O ASP A 15 -4.219 -14.148 -2.896 1.00 0.00 O ATOM 166 CB ASP A 15 -6.336 -16.398 -3.319 1.00 0.00 C ATOM 167 CG ASP A 15 -5.269 -17.384 -3.799 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.259 -16.901 -4.355 1.00 0.00 O ATOM 169 OD2 ASP A 15 -5.487 -18.598 -3.600 1.00 0.00 O ATOM 0 H ASP A 15 -7.954 -15.065 -1.728 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.219 -16.144 -1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.252 -16.951 -3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.561 -15.706 -4.130 1.00 0.00 H new ATOM 174 N MET A 16 -6.258 -13.241 -2.530 1.00 0.00 N ATOM 175 CA MET A 16 -5.862 -11.906 -2.946 1.00 0.00 C ATOM 176 C MET A 16 -5.708 -10.978 -1.740 1.00 0.00 C ATOM 177 O MET A 16 -6.090 -11.333 -0.626 1.00 0.00 O ATOM 178 CB MET A 16 -6.915 -11.335 -3.899 1.00 0.00 C ATOM 179 CG MET A 16 -6.971 -12.140 -5.199 1.00 0.00 C ATOM 180 SD MET A 16 -7.514 -11.095 -6.541 1.00 0.00 S ATOM 181 CE MET A 16 -5.948 -10.406 -7.049 1.00 0.00 C ATOM 0 H MET A 16 -7.232 -13.326 -2.238 1.00 0.00 H new ATOM 0 HA MET A 16 -4.899 -11.975 -3.452 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.892 -11.348 -3.417 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.683 -10.294 -4.122 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.987 -12.553 -5.424 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.652 -12.983 -5.085 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.104 -9.725 -7.885 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.503 -9.862 -6.216 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.279 -11.210 -7.356 1.00 0.00 H new ATOM 191 N ILE A 17 -5.148 -9.806 -2.003 1.00 0.00 N ATOM 192 CA ILE A 17 -4.939 -8.824 -0.952 1.00 0.00 C ATOM 193 C ILE A 17 -5.568 -7.494 -1.371 1.00 0.00 C ATOM 194 O ILE A 17 -5.165 -6.900 -2.370 1.00 0.00 O ATOM 195 CB ILE A 17 -3.452 -8.720 -0.605 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.911 -10.059 -0.100 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.201 -7.587 0.392 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.497 -10.312 -0.625 1.00 0.00 C ATOM 0 H ILE A 17 -4.833 -9.514 -2.928 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.436 -9.136 -0.033 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.905 -8.476 -1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.905 -10.065 0.990 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.571 -10.866 -0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.137 -7.534 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.526 -6.642 -0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.761 -7.777 1.307 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.136 -11.270 -0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.511 -10.330 -1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.834 -9.517 -0.284 1.00 0.00 H new ATOM 210 N ASN A 18 -6.545 -7.065 -0.586 1.00 0.00 N ATOM 211 CA ASN A 18 -7.234 -5.816 -0.863 1.00 0.00 C ATOM 212 C ASN A 18 -6.375 -4.647 -0.377 1.00 0.00 C ATOM 213 O ASN A 18 -5.988 -4.600 0.790 1.00 0.00 O ATOM 214 CB ASN A 18 -8.576 -5.753 -0.132 1.00 0.00 C ATOM 215 CG ASN A 18 -9.654 -5.125 -1.018 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.762 -5.403 -2.201 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.443 -4.264 -0.382 1.00 0.00 N ATOM 0 H ASN A 18 -6.876 -7.560 0.242 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.406 -5.757 -1.938 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.881 -6.757 0.162 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.468 -5.171 0.784 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.193 -3.791 -0.886 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.298 -4.076 0.610 1.00 0.00 H new ATOM 224 N LEU A 19 -6.103 -3.731 -1.295 1.00 0.00 N ATOM 225 CA LEU A 19 -5.298 -2.565 -0.974 1.00 0.00 C ATOM 226 C LEU A 19 -6.171 -1.311 -1.048 1.00 0.00 C ATOM 227 O LEU A 19 -7.079 -1.230 -1.874 1.00 0.00 O ATOM 228 CB LEU A 19 -4.060 -2.506 -1.871 1.00 0.00 C ATOM 229 CG LEU A 19 -2.828 -3.258 -1.365 1.00 0.00 C ATOM 230 CD1 LEU A 19 -2.065 -2.428 -0.330 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.211 -4.637 -0.823 1.00 0.00 C ATOM 0 H LEU A 19 -6.426 -3.773 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.921 -2.631 0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.326 -2.903 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.789 -1.460 -2.014 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.156 -3.418 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.194 -2.986 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.741 -1.491 -0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.716 -2.215 0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.317 -5.150 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.913 -4.521 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.677 -5.223 -1.615 1.00 0.00 H new ATOM 243 N ARG A 20 -5.867 -0.364 -0.173 1.00 0.00 N ATOM 244 CA ARG A 20 -6.613 0.882 -0.128 1.00 0.00 C ATOM 245 C ARG A 20 -5.769 2.026 -0.692 1.00 0.00 C ATOM 246 O ARG A 20 -4.818 2.474 -0.054 1.00 0.00 O ATOM 247 CB ARG A 20 -7.030 1.223 1.304 1.00 0.00 C ATOM 248 CG ARG A 20 -8.464 1.755 1.345 1.00 0.00 C ATOM 249 CD ARG A 20 -8.922 1.986 2.787 1.00 0.00 C ATOM 250 NE ARG A 20 -10.334 1.569 2.942 1.00 0.00 N ATOM 251 CZ ARG A 20 -10.939 1.392 4.125 1.00 0.00 C ATOM 252 NH1 ARG A 20 -10.259 1.594 5.262 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.223 1.012 4.170 1.00 0.00 N ATOM 0 H ARG A 20 -5.114 -0.435 0.511 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.510 0.754 -0.734 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.950 0.335 1.931 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.350 1.968 1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.525 2.689 0.786 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.133 1.046 0.856 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.290 1.422 3.473 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.814 3.039 3.047 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.880 1.406 2.096 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.281 1.882 5.227 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.719 1.459 6.162 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.740 0.857 3.304 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.684 0.877 5.070 1.00 0.00 H new ATOM 267 N LEU A 21 -6.148 2.466 -1.883 1.00 0.00 N ATOM 268 CA LEU A 21 -5.437 3.550 -2.541 1.00 0.00 C ATOM 269 C LEU A 21 -6.131 4.876 -2.222 1.00 0.00 C ATOM 270 O LEU A 21 -7.310 5.052 -2.523 1.00 0.00 O ATOM 271 CB LEU A 21 -5.303 3.271 -4.039 1.00 0.00 C ATOM 272 CG LEU A 21 -4.421 2.081 -4.424 1.00 0.00 C ATOM 273 CD1 LEU A 21 -2.938 2.427 -4.273 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.804 0.834 -3.625 1.00 0.00 C ATOM 0 H LEU A 21 -6.938 2.092 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.418 3.623 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.300 3.106 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.904 4.164 -4.520 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.593 1.854 -5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.333 1.565 -4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.693 3.268 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.731 2.695 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.162 0.003 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.679 1.031 -2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.844 0.578 -3.827 1.00 0.00 H new ATOM 286 N ILE A 22 -5.368 5.775 -1.617 1.00 0.00 N ATOM 287 CA ILE A 22 -5.895 7.079 -1.253 1.00 0.00 C ATOM 288 C ILE A 22 -5.339 8.134 -2.213 1.00 0.00 C ATOM 289 O ILE A 22 -4.129 8.346 -2.274 1.00 0.00 O ATOM 290 CB ILE A 22 -5.613 7.379 0.220 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.342 6.389 1.130 1.00 0.00 C ATOM 292 CG2 ILE A 22 -5.959 8.831 0.560 1.00 0.00 C ATOM 293 CD1 ILE A 22 -5.428 5.906 2.259 1.00 0.00 C ATOM 0 H ILE A 22 -4.390 5.626 -1.370 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.980 7.094 -1.355 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.545 7.252 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.228 6.862 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.685 5.536 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.749 9.018 1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.358 9.502 -0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.016 9.009 0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.971 5.203 2.891 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.555 5.412 1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.107 6.759 2.857 1.00 0.00 H new ATOM 416 N GLU A 30 -10.710 0.613 -3.710 1.00 0.00 N ATOM 417 CA GLU A 30 -10.310 -0.725 -3.311 1.00 0.00 C ATOM 418 C GLU A 30 -9.849 -1.527 -4.531 1.00 0.00 C ATOM 419 O GLU A 30 -10.579 -1.642 -5.514 1.00 0.00 O ATOM 420 CB GLU A 30 -11.447 -1.443 -2.581 1.00 0.00 C ATOM 421 CG GLU A 30 -11.938 -0.620 -1.388 1.00 0.00 C ATOM 422 CD GLU A 30 -12.786 -1.475 -0.444 1.00 0.00 C ATOM 423 OE1 GLU A 30 -13.853 -1.938 -0.903 1.00 0.00 O ATOM 424 OE2 GLU A 30 -12.349 -1.646 0.714 1.00 0.00 O ATOM 0 HA GLU A 30 -9.473 -0.641 -2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.273 -1.619 -3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.104 -2.419 -2.238 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.084 -0.212 -0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.525 0.227 -1.743 1.00 0.00 H new ATOM 431 N PHE A 31 -8.641 -2.061 -4.427 1.00 0.00 N ATOM 432 CA PHE A 31 -8.075 -2.848 -5.509 1.00 0.00 C ATOM 433 C PHE A 31 -7.757 -4.270 -5.044 1.00 0.00 C ATOM 434 O PHE A 31 -8.064 -4.640 -3.911 1.00 0.00 O ATOM 435 CB PHE A 31 -6.776 -2.159 -5.930 1.00 0.00 C ATOM 436 CG PHE A 31 -6.977 -0.981 -6.886 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.227 -1.209 -8.203 1.00 0.00 C ATOM 438 CD2 PHE A 31 -6.907 0.294 -6.417 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.414 -0.116 -9.090 1.00 0.00 C ATOM 440 CE2 PHE A 31 -7.094 1.387 -7.304 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.343 1.159 -8.621 1.00 0.00 C ATOM 0 H PHE A 31 -8.038 -1.964 -3.610 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.786 -2.915 -6.333 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.259 -1.805 -5.038 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.125 -2.893 -6.406 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.283 -2.222 -8.574 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.709 0.475 -5.371 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.612 -0.297 -10.136 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.038 2.400 -6.932 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.485 1.991 -9.295 1.00 0.00 H new ATOM 451 N LEU A 32 -7.146 -5.029 -5.941 1.00 0.00 N ATOM 452 CA LEU A 32 -6.783 -6.403 -5.637 1.00 0.00 C ATOM 453 C LEU A 32 -5.366 -6.676 -6.145 1.00 0.00 C ATOM 454 O LEU A 32 -5.006 -6.261 -7.246 1.00 0.00 O ATOM 455 CB LEU A 32 -7.831 -7.370 -6.191 1.00 0.00 C ATOM 456 CG LEU A 32 -9.135 -7.473 -5.396 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.336 -7.627 -6.331 1.00 0.00 C ATOM 458 CD2 LEU A 32 -9.061 -8.603 -4.367 1.00 0.00 C ATOM 0 H LEU A 32 -6.893 -4.719 -6.879 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.773 -6.564 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.073 -7.068 -7.210 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.385 -8.363 -6.250 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.274 -6.543 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.250 -7.698 -5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.397 -6.762 -6.991 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.219 -8.531 -6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.000 -8.655 -3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.888 -9.550 -4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.243 -8.410 -3.673 1.00 0.00 H new ATOM 470 N PHE A 33 -4.599 -7.372 -5.318 1.00 0.00 N ATOM 471 CA PHE A 33 -3.229 -7.705 -5.670 1.00 0.00 C ATOM 472 C PHE A 33 -2.842 -9.082 -5.126 1.00 0.00 C ATOM 473 O PHE A 33 -3.498 -9.603 -4.225 1.00 0.00 O ATOM 474 CB PHE A 33 -2.332 -6.645 -5.028 1.00 0.00 C ATOM 475 CG PHE A 33 -2.573 -5.227 -5.549 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.405 -4.950 -6.869 1.00 0.00 C ATOM 477 CD2 PHE A 33 -2.956 -4.243 -4.691 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.628 -3.634 -7.353 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.180 -2.927 -5.175 1.00 0.00 C ATOM 480 CZ PHE A 33 -3.011 -2.650 -6.495 1.00 0.00 C ATOM 0 H PHE A 33 -4.900 -7.714 -4.406 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.119 -7.729 -6.754 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.489 -6.656 -3.949 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.290 -6.912 -5.201 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.102 -5.731 -7.550 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.090 -4.463 -3.642 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.494 -3.414 -8.402 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.485 -2.146 -4.494 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.181 -1.649 -6.863 1.00 0.00 H new ATOM 490 N SER A 34 -1.780 -9.631 -5.695 1.00 0.00 N ATOM 491 CA SER A 34 -1.298 -10.936 -5.278 1.00 0.00 C ATOM 492 C SER A 34 -0.046 -10.780 -4.412 1.00 0.00 C ATOM 493 O SER A 34 0.582 -9.723 -4.408 1.00 0.00 O ATOM 494 CB SER A 34 -0.999 -11.825 -6.487 1.00 0.00 C ATOM 495 OG SER A 34 0.285 -12.436 -6.396 1.00 0.00 O ATOM 0 H SER A 34 -1.239 -9.196 -6.442 1.00 0.00 H new ATOM 0 HA SER A 34 -2.080 -11.417 -4.691 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.763 -12.598 -6.566 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.053 -11.229 -7.398 1.00 0.00 H new ATOM 0 HG SER A 34 0.190 -13.409 -6.469 1.00 0.00 H new ATOM 501 N PRO A 35 0.287 -11.878 -3.681 1.00 0.00 N ATOM 502 CA PRO A 35 1.453 -11.873 -2.813 1.00 0.00 C ATOM 503 C PRO A 35 2.743 -11.980 -3.628 1.00 0.00 C ATOM 504 O PRO A 35 3.834 -11.764 -3.101 1.00 0.00 O ATOM 505 CB PRO A 35 1.246 -13.047 -1.870 1.00 0.00 C ATOM 506 CG PRO A 35 0.213 -13.941 -2.538 1.00 0.00 C ATOM 507 CD PRO A 35 -0.433 -13.147 -3.661 1.00 0.00 C ATOM 0 HA PRO A 35 1.557 -10.944 -2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.180 -13.585 -1.705 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.897 -12.708 -0.895 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.684 -14.842 -2.930 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.538 -14.262 -1.816 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.345 -13.667 -4.615 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.497 -12.996 -3.478 1.00 0.00 H new ATOM 515 N ASN A 36 2.577 -12.315 -4.899 1.00 0.00 N ATOM 516 CA ASN A 36 3.715 -12.453 -5.791 1.00 0.00 C ATOM 517 C ASN A 36 3.891 -11.161 -6.592 1.00 0.00 C ATOM 518 O ASN A 36 4.860 -11.014 -7.335 1.00 0.00 O ATOM 519 CB ASN A 36 3.501 -13.599 -6.783 1.00 0.00 C ATOM 520 CG ASN A 36 2.674 -14.721 -6.153 1.00 0.00 C ATOM 521 OD1 ASN A 36 1.458 -14.665 -6.080 1.00 0.00 O ATOM 522 ND2 ASN A 36 3.400 -15.742 -5.705 1.00 0.00 N ATOM 0 H ASN A 36 1.671 -12.495 -5.332 1.00 0.00 H new ATOM 0 HA ASN A 36 4.596 -12.661 -5.184 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.995 -13.225 -7.673 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.466 -13.990 -7.106 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.941 -16.542 -5.269 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.416 -15.725 -5.798 1.00 0.00 H new ATOM 529 N ASP A 37 2.938 -10.258 -6.413 1.00 0.00 N ATOM 530 CA ASP A 37 2.975 -8.984 -7.110 1.00 0.00 C ATOM 531 C ASP A 37 3.884 -8.017 -6.348 1.00 0.00 C ATOM 532 O ASP A 37 3.847 -7.962 -5.120 1.00 0.00 O ATOM 533 CB ASP A 37 1.581 -8.359 -7.189 1.00 0.00 C ATOM 534 CG ASP A 37 0.657 -8.970 -8.245 1.00 0.00 C ATOM 535 OD1 ASP A 37 1.192 -9.382 -9.297 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.563 -9.010 -7.977 1.00 0.00 O ATOM 0 H ASP A 37 2.136 -10.384 -5.796 1.00 0.00 H new ATOM 0 HA ASP A 37 3.348 -9.162 -8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.103 -8.449 -6.214 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.688 -7.294 -7.394 1.00 0.00 H new ATOM 541 N SER A 38 4.678 -7.278 -7.109 1.00 0.00 N ATOM 542 CA SER A 38 5.595 -6.316 -6.520 1.00 0.00 C ATOM 543 C SER A 38 4.990 -4.912 -6.581 1.00 0.00 C ATOM 544 O SER A 38 4.032 -4.677 -7.316 1.00 0.00 O ATOM 545 CB SER A 38 6.950 -6.342 -7.230 1.00 0.00 C ATOM 546 OG SER A 38 6.861 -5.860 -8.568 1.00 0.00 O ATOM 0 H SER A 38 4.706 -7.326 -8.128 1.00 0.00 H new ATOM 0 HA SER A 38 5.756 -6.590 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.663 -5.735 -6.673 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.336 -7.361 -7.237 1.00 0.00 H new ATOM 0 HG SER A 38 7.747 -5.891 -8.986 1.00 0.00 H new ATOM 552 N ALA A 39 5.575 -4.016 -5.800 1.00 0.00 N ATOM 553 CA ALA A 39 5.106 -2.642 -5.756 1.00 0.00 C ATOM 554 C ALA A 39 4.845 -2.151 -7.182 1.00 0.00 C ATOM 555 O ALA A 39 3.751 -1.682 -7.490 1.00 0.00 O ATOM 556 CB ALA A 39 6.131 -1.776 -5.020 1.00 0.00 C ATOM 0 H ALA A 39 6.370 -4.215 -5.193 1.00 0.00 H new ATOM 0 HA ALA A 39 4.167 -2.574 -5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.779 -0.745 -4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.259 -2.149 -4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.086 -1.817 -5.545 1.00 0.00 H new ATOM 562 N SER A 40 5.870 -2.275 -8.013 1.00 0.00 N ATOM 563 CA SER A 40 5.765 -1.849 -9.398 1.00 0.00 C ATOM 564 C SER A 40 4.410 -2.269 -9.974 1.00 0.00 C ATOM 565 O SER A 40 3.674 -1.440 -10.506 1.00 0.00 O ATOM 566 CB SER A 40 6.902 -2.431 -10.241 1.00 0.00 C ATOM 567 OG SER A 40 6.795 -2.058 -11.612 1.00 0.00 O ATOM 0 H SER A 40 6.776 -2.664 -7.754 1.00 0.00 H new ATOM 0 HA SER A 40 5.845 -0.762 -9.428 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.858 -2.089 -9.846 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.894 -3.518 -10.159 1.00 0.00 H new ATOM 0 HG SER A 40 7.540 -2.448 -12.116 1.00 0.00 H new ATOM 573 N ASP A 41 4.123 -3.556 -9.847 1.00 0.00 N ATOM 574 CA ASP A 41 2.870 -4.096 -10.347 1.00 0.00 C ATOM 575 C ASP A 41 1.709 -3.247 -9.825 1.00 0.00 C ATOM 576 O ASP A 41 0.847 -2.826 -10.596 1.00 0.00 O ATOM 577 CB ASP A 41 2.658 -5.533 -9.866 1.00 0.00 C ATOM 578 CG ASP A 41 1.792 -6.400 -10.782 1.00 0.00 C ATOM 579 OD1 ASP A 41 0.555 -6.341 -10.616 1.00 0.00 O ATOM 580 OD2 ASP A 41 2.387 -7.103 -11.627 1.00 0.00 O ATOM 0 H ASP A 41 4.737 -4.241 -9.405 1.00 0.00 H new ATOM 0 HA ASP A 41 2.908 -4.082 -11.436 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.632 -6.010 -9.753 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.200 -5.505 -8.877 1.00 0.00 H new ATOM 585 N ILE A 42 1.724 -3.020 -8.520 1.00 0.00 N ATOM 586 CA ILE A 42 0.683 -2.228 -7.886 1.00 0.00 C ATOM 587 C ILE A 42 0.645 -0.839 -8.525 1.00 0.00 C ATOM 588 O ILE A 42 -0.301 -0.504 -9.235 1.00 0.00 O ATOM 589 CB ILE A 42 0.878 -2.203 -6.369 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.854 -3.619 -5.789 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.152 -1.292 -5.699 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.254 -3.613 -4.312 1.00 0.00 C ATOM 0 H ILE A 42 2.440 -3.370 -7.884 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.295 -2.681 -8.050 1.00 0.00 H new ATOM 0 HB ILE A 42 1.863 -1.786 -6.158 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.144 -4.043 -5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.535 -4.258 -6.351 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.009 -1.292 -4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.044 -0.277 -6.082 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.156 -1.657 -5.916 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.229 -4.631 -3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.262 -3.210 -4.210 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.557 -2.993 -3.749 1.00 0.00 H new ATOM 604 N ALA A 43 1.686 -0.067 -8.248 1.00 0.00 N ATOM 605 CA ALA A 43 1.784 1.279 -8.787 1.00 0.00 C ATOM 606 C ALA A 43 1.298 1.280 -10.238 1.00 0.00 C ATOM 607 O ALA A 43 0.448 2.087 -10.612 1.00 0.00 O ATOM 608 CB ALA A 43 3.223 1.779 -8.654 1.00 0.00 C ATOM 0 H ALA A 43 2.469 -0.348 -7.657 1.00 0.00 H new ATOM 0 HA ALA A 43 1.148 1.964 -8.226 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.296 2.789 -9.058 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.509 1.788 -7.602 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.891 1.118 -9.206 1.00 0.00 H new ATOM 614 N LYS A 44 1.859 0.366 -11.016 1.00 0.00 N ATOM 615 CA LYS A 44 1.493 0.251 -12.418 1.00 0.00 C ATOM 616 C LYS A 44 -0.006 -0.034 -12.528 1.00 0.00 C ATOM 617 O LYS A 44 -0.721 0.659 -13.250 1.00 0.00 O ATOM 618 CB LYS A 44 2.370 -0.791 -13.116 1.00 0.00 C ATOM 619 CG LYS A 44 2.416 -0.546 -14.626 1.00 0.00 C ATOM 620 CD LYS A 44 1.396 -1.422 -15.355 1.00 0.00 C ATOM 621 CE LYS A 44 2.086 -2.583 -16.074 1.00 0.00 C ATOM 622 NZ LYS A 44 2.135 -3.778 -15.202 1.00 0.00 N ATOM 0 H LYS A 44 2.564 -0.301 -10.703 1.00 0.00 H new ATOM 0 HA LYS A 44 1.678 1.191 -12.939 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.380 -0.754 -12.707 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.982 -1.790 -12.918 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.213 0.505 -14.834 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.417 -0.758 -15.002 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.670 -1.811 -14.642 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.843 -0.820 -16.076 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.550 -2.819 -16.994 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.097 -2.292 -16.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.606 -4.556 -15.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.666 -3.554 -14.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.167 -4.064 -14.951 1.00 0.00 H new ATOM 636 N HIS A 45 -0.437 -1.054 -11.801 1.00 0.00 N ATOM 637 CA HIS A 45 -1.838 -1.438 -11.808 1.00 0.00 C ATOM 638 C HIS A 45 -2.705 -0.226 -11.461 1.00 0.00 C ATOM 639 O HIS A 45 -3.610 0.131 -12.214 1.00 0.00 O ATOM 640 CB HIS A 45 -2.081 -2.626 -10.876 1.00 0.00 C ATOM 641 CG HIS A 45 -3.540 -2.945 -10.654 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.095 -4.174 -10.966 1.00 0.00 N ATOM 643 CD2 HIS A 45 -4.551 -2.184 -10.146 1.00 0.00 C ATOM 644 CE1 HIS A 45 -5.383 -4.142 -10.658 1.00 0.00 C ATOM 645 NE2 HIS A 45 -5.664 -2.908 -10.150 1.00 0.00 N ATOM 0 H HIS A 45 0.159 -1.626 -11.203 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.122 -1.770 -12.807 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.586 -3.505 -11.289 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.614 -2.420 -9.913 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.462 -1.165 -9.799 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.087 -4.951 -10.787 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.579 -2.593 -9.826 1.00 0.00 H new ATOM 997 N LEU A 67 5.446 3.555 -3.321 1.00 0.00 N ATOM 998 CA LEU A 67 4.187 3.331 -2.629 1.00 0.00 C ATOM 999 C LEU A 67 4.390 3.546 -1.128 1.00 0.00 C ATOM 1000 O LEU A 67 5.287 2.954 -0.529 1.00 0.00 O ATOM 1001 CB LEU A 67 3.618 1.956 -2.983 1.00 0.00 C ATOM 1002 CG LEU A 67 3.246 1.060 -1.800 1.00 0.00 C ATOM 1003 CD1 LEU A 67 2.000 1.586 -1.084 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.080 -0.395 -2.245 1.00 0.00 C ATOM 0 HA LEU A 67 3.439 4.053 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.730 2.100 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.349 1.429 -3.597 1.00 0.00 H new ATOM 0 HG LEU A 67 4.065 1.086 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.757 0.931 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.191 2.593 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.162 1.609 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.816 -1.011 -1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.290 -0.459 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.016 -0.753 -2.674 1.00 0.00 H new ATOM 1016 N ILE A 68 3.543 4.393 -0.564 1.00 0.00 N ATOM 1017 CA ILE A 68 3.618 4.693 0.856 1.00 0.00 C ATOM 1018 C ILE A 68 2.681 3.755 1.621 1.00 0.00 C ATOM 1019 O ILE A 68 1.524 3.583 1.242 1.00 0.00 O ATOM 1020 CB ILE A 68 3.341 6.176 1.106 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.477 7.045 0.561 1.00 0.00 C ATOM 1022 CG2 ILE A 68 3.077 6.443 2.589 1.00 0.00 C ATOM 1023 CD1 ILE A 68 4.080 7.697 -0.765 1.00 0.00 C ATOM 0 H ILE A 68 2.801 4.882 -1.064 1.00 0.00 H new ATOM 0 HA ILE A 68 4.626 4.513 1.230 1.00 0.00 H new ATOM 0 HB ILE A 68 2.436 6.450 0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.731 7.816 1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.369 6.436 0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.883 7.505 2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.211 5.867 2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.949 6.148 3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.904 8.309 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.850 6.923 -1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.202 8.325 -0.613 1.00 0.00 H new ATOM 1035 N TYR A 69 3.217 3.174 2.684 1.00 0.00 N ATOM 1036 CA TYR A 69 2.443 2.258 3.506 1.00 0.00 C ATOM 1037 C TYR A 69 2.529 2.642 4.984 1.00 0.00 C ATOM 1038 O TYR A 69 3.617 2.675 5.558 1.00 0.00 O ATOM 1039 CB TYR A 69 3.076 0.879 3.311 1.00 0.00 C ATOM 1040 CG TYR A 69 2.373 -0.242 4.078 1.00 0.00 C ATOM 1041 CD1 TYR A 69 1.018 -0.162 4.329 1.00 0.00 C ATOM 1042 CD2 TYR A 69 3.093 -1.334 4.519 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.356 -1.218 5.050 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.431 -2.390 5.240 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.095 -2.279 5.471 1.00 0.00 C ATOM 1046 OH TYR A 69 0.469 -3.276 6.152 1.00 0.00 O ATOM 0 H TYR A 69 4.177 3.319 2.995 1.00 0.00 H new ATOM 0 HA TYR A 69 1.392 2.279 3.219 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.073 0.636 2.248 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.119 0.922 3.625 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.454 0.693 3.985 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.153 -1.396 4.323 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.704 -1.169 5.252 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.982 -3.250 5.589 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.462 -3.341 5.854 1.00 0.00 H new ATOM 1056 N GLN A 70 1.369 2.923 5.558 1.00 0.00 N ATOM 1057 CA GLN A 70 1.299 3.303 6.959 1.00 0.00 C ATOM 1058 C GLN A 70 2.197 4.513 7.226 1.00 0.00 C ATOM 1059 O GLN A 70 2.733 4.662 8.323 1.00 0.00 O ATOM 1060 CB GLN A 70 1.677 2.129 7.865 1.00 0.00 C ATOM 1061 CG GLN A 70 0.430 1.374 8.332 1.00 0.00 C ATOM 1062 CD GLN A 70 0.334 1.365 9.859 1.00 0.00 C ATOM 1063 OE1 GLN A 70 0.282 2.396 10.509 1.00 0.00 O ATOM 1064 NE2 GLN A 70 0.314 0.147 10.392 1.00 0.00 N ATOM 0 H GLN A 70 0.469 2.895 5.078 1.00 0.00 H new ATOM 0 HA GLN A 70 0.270 3.580 7.189 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.339 1.449 7.328 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.230 2.496 8.730 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.461 1.840 7.911 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.460 0.350 7.960 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.361 -0.674 9.789 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.252 0.034 11.404 1.00 0.00 H new ATOM 1073 N GLY A 71 2.334 5.345 6.204 1.00 0.00 N ATOM 1074 CA GLY A 71 3.158 6.536 6.314 1.00 0.00 C ATOM 1075 C GLY A 71 4.557 6.290 5.745 1.00 0.00 C ATOM 1076 O GLY A 71 5.172 7.197 5.186 1.00 0.00 O ATOM 0 H GLY A 71 1.888 5.217 5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.685 7.360 5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.234 6.834 7.360 1.00 0.00 H new ATOM 1080 N ARG A 72 5.019 5.059 5.907 1.00 0.00 N ATOM 1081 CA ARG A 72 6.334 4.682 5.416 1.00 0.00 C ATOM 1082 C ARG A 72 6.283 4.421 3.909 1.00 0.00 C ATOM 1083 O ARG A 72 5.226 4.535 3.291 1.00 0.00 O ATOM 1084 CB ARG A 72 6.849 3.430 6.127 1.00 0.00 C ATOM 1085 CG ARG A 72 7.582 3.795 7.420 1.00 0.00 C ATOM 1086 CD ARG A 72 8.407 2.614 7.935 1.00 0.00 C ATOM 1087 NE ARG A 72 8.738 2.813 9.363 1.00 0.00 N ATOM 1088 CZ ARG A 72 9.152 1.836 10.182 1.00 0.00 C ATOM 1089 NH1 ARG A 72 9.287 0.586 9.718 1.00 0.00 N ATOM 1090 NH2 ARG A 72 9.430 2.109 11.464 1.00 0.00 N ATOM 0 H ARG A 72 4.506 4.309 6.371 1.00 0.00 H new ATOM 0 HA ARG A 72 7.015 5.508 5.622 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.014 2.767 6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.521 2.883 5.466 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.235 4.650 7.243 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.860 4.097 8.179 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.848 1.687 7.808 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.322 2.517 7.351 1.00 0.00 H new ATOM 0 HE ARG A 72 8.645 3.753 9.749 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.075 0.379 8.742 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.602 -0.158 10.341 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.327 3.060 11.817 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.745 1.365 12.087 1.00 0.00 H new ATOM 1104 N PHE A 73 7.439 4.074 3.362 1.00 0.00 N ATOM 1105 CA PHE A 73 7.539 3.795 1.939 1.00 0.00 C ATOM 1106 C PHE A 73 8.017 2.363 1.694 1.00 0.00 C ATOM 1107 O PHE A 73 8.940 1.890 2.356 1.00 0.00 O ATOM 1108 CB PHE A 73 8.569 4.769 1.364 1.00 0.00 C ATOM 1109 CG PHE A 73 8.167 6.241 1.481 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.265 6.880 2.678 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.712 6.911 0.389 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.892 8.245 2.787 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.338 8.276 0.497 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.436 8.915 1.694 1.00 0.00 C ATOM 0 H PHE A 73 8.314 3.980 3.878 1.00 0.00 H new ATOM 0 HA PHE A 73 6.563 3.910 1.468 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.520 4.621 1.876 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.733 4.530 0.313 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.627 6.348 3.546 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.635 6.404 -0.562 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.970 8.752 3.737 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.976 8.807 -0.371 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.152 9.954 1.777 1.00 0.00 H new ATOM 1124 N LEU A 74 7.367 1.711 0.741 1.00 0.00 N ATOM 1125 CA LEU A 74 7.715 0.342 0.400 1.00 0.00 C ATOM 1126 C LEU A 74 8.646 0.344 -0.814 1.00 0.00 C ATOM 1127 O LEU A 74 8.554 1.222 -1.671 1.00 0.00 O ATOM 1128 CB LEU A 74 6.451 -0.498 0.203 1.00 0.00 C ATOM 1129 CG LEU A 74 5.640 -0.795 1.466 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.360 -1.561 1.128 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.491 -1.530 2.504 1.00 0.00 C ATOM 0 H LEU A 74 6.601 2.105 0.194 1.00 0.00 H new ATOM 0 HA LEU A 74 8.259 -0.128 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.804 0.016 -0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.736 -1.446 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 74 5.339 0.154 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.802 -1.759 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.747 -0.965 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.617 -2.505 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.891 -1.729 3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.842 -2.473 2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.347 -0.912 2.776 1.00 0.00 H new ATOM 1143 N HIS A 75 9.523 -0.649 -0.848 1.00 0.00 N ATOM 1144 CA HIS A 75 10.471 -0.773 -1.942 1.00 0.00 C ATOM 1145 C HIS A 75 9.733 -1.188 -3.216 1.00 0.00 C ATOM 1146 O HIS A 75 8.612 -1.692 -3.153 1.00 0.00 O ATOM 1147 CB HIS A 75 11.603 -1.733 -1.574 1.00 0.00 C ATOM 1148 CG HIS A 75 12.976 -1.245 -1.969 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.630 -1.685 -3.108 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.811 -0.350 -1.368 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.804 -1.076 -3.177 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.916 -0.250 -2.098 1.00 0.00 N ATOM 0 H HIS A 75 9.597 -1.375 -0.135 1.00 0.00 H new ATOM 0 HA HIS A 75 10.939 0.193 -2.133 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.585 -1.903 -0.498 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.419 -2.695 -2.052 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.608 0.187 -0.453 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.544 -1.210 -3.953 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.716 0.346 -1.886 1.00 0.00 H new ATOM 1160 N GLY A 76 10.390 -0.960 -4.344 1.00 0.00 N ATOM 1161 CA GLY A 76 9.810 -1.303 -5.631 1.00 0.00 C ATOM 1162 C GLY A 76 9.932 -2.804 -5.904 1.00 0.00 C ATOM 1163 O GLY A 76 9.196 -3.351 -6.724 1.00 0.00 O ATOM 0 H GLY A 76 11.319 -0.542 -4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.760 -1.010 -5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.312 -0.744 -6.421 1.00 0.00 H new ATOM 1167 N ASN A 77 10.866 -3.427 -5.201 1.00 0.00 N ATOM 1168 CA ASN A 77 11.093 -4.854 -5.357 1.00 0.00 C ATOM 1169 C ASN A 77 10.234 -5.616 -4.347 1.00 0.00 C ATOM 1170 O ASN A 77 9.969 -6.805 -4.524 1.00 0.00 O ATOM 1171 CB ASN A 77 12.558 -5.210 -5.097 1.00 0.00 C ATOM 1172 CG ASN A 77 13.162 -5.954 -6.289 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.945 -5.615 -7.441 1.00 0.00 O ATOM 1174 ND2 ASN A 77 13.930 -6.986 -5.950 1.00 0.00 N ATOM 0 H ASN A 77 11.475 -2.970 -4.522 1.00 0.00 H new ATOM 0 HA ASN A 77 10.832 -5.128 -6.379 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.128 -4.301 -4.905 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.632 -5.828 -4.202 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.379 -7.547 -6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.070 -7.216 -4.966 1.00 0.00 H new ATOM 1181 N VAL A 78 9.823 -4.902 -3.310 1.00 0.00 N ATOM 1182 CA VAL A 78 8.999 -5.497 -2.271 1.00 0.00 C ATOM 1183 C VAL A 78 7.770 -6.147 -2.910 1.00 0.00 C ATOM 1184 O VAL A 78 7.289 -5.690 -3.946 1.00 0.00 O ATOM 1185 CB VAL A 78 8.639 -4.443 -1.221 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.382 -4.846 -0.449 1.00 0.00 C ATOM 1187 CG2 VAL A 78 9.811 -4.196 -0.269 1.00 0.00 C ATOM 0 H VAL A 78 10.045 -3.917 -3.167 1.00 0.00 H new ATOM 0 HA VAL A 78 9.548 -6.281 -1.751 1.00 0.00 H new ATOM 0 HB VAL A 78 8.427 -3.509 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.148 -4.080 0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.547 -4.949 -1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.554 -5.797 0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.529 -3.443 0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.067 -5.124 0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.673 -3.844 -0.836 1.00 0.00 H new ATOM 1197 N THR A 79 7.298 -7.204 -2.266 1.00 0.00 N ATOM 1198 CA THR A 79 6.134 -7.922 -2.759 1.00 0.00 C ATOM 1199 C THR A 79 5.203 -8.286 -1.601 1.00 0.00 C ATOM 1200 O THR A 79 5.660 -8.713 -0.542 1.00 0.00 O ATOM 1201 CB THR A 79 6.628 -9.137 -3.547 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.475 -9.825 -2.631 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.559 -8.750 -4.697 1.00 0.00 C ATOM 0 H THR A 79 7.700 -7.581 -1.408 1.00 0.00 H new ATOM 0 HA THR A 79 5.540 -7.301 -3.429 1.00 0.00 H new ATOM 0 HB THR A 79 5.773 -9.685 -3.942 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.837 -10.628 -3.060 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.880 -9.649 -5.223 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.030 -8.094 -5.389 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.431 -8.231 -4.300 1.00 0.00 H new ATOM 1211 N LEU A 80 3.913 -8.105 -1.842 1.00 0.00 N ATOM 1212 CA LEU A 80 2.913 -8.409 -0.833 1.00 0.00 C ATOM 1213 C LEU A 80 3.304 -9.696 -0.105 1.00 0.00 C ATOM 1214 O LEU A 80 3.092 -9.821 1.100 1.00 0.00 O ATOM 1215 CB LEU A 80 1.517 -8.456 -1.459 1.00 0.00 C ATOM 1216 CG LEU A 80 0.857 -7.103 -1.730 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.444 -7.275 -2.516 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.643 -6.327 -0.429 1.00 0.00 C ATOM 0 H LEU A 80 3.537 -7.751 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 80 2.875 -7.618 -0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.581 -9.002 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.865 -9.031 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 80 1.531 -6.512 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.893 -6.298 -2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.232 -7.757 -3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.136 -7.893 -1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.172 -5.369 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.001 -6.903 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.605 -6.156 0.055 1.00 0.00 H new ATOM 1230 N GLY A 81 3.869 -10.621 -0.867 1.00 0.00 N ATOM 1231 CA GLY A 81 4.293 -11.894 -0.309 1.00 0.00 C ATOM 1232 C GLY A 81 5.330 -11.690 0.797 1.00 0.00 C ATOM 1233 O GLY A 81 5.179 -12.217 1.898 1.00 0.00 O ATOM 0 H GLY A 81 4.043 -10.514 -1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.429 -12.425 0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.715 -12.518 -1.097 1.00 0.00 H new ATOM 1237 N ALA A 82 6.360 -10.926 0.465 1.00 0.00 N ATOM 1238 CA ALA A 82 7.422 -10.646 1.416 1.00 0.00 C ATOM 1239 C ALA A 82 6.845 -9.875 2.606 1.00 0.00 C ATOM 1240 O ALA A 82 7.453 -9.830 3.674 1.00 0.00 O ATOM 1241 CB ALA A 82 8.547 -9.881 0.716 1.00 0.00 C ATOM 0 H ALA A 82 6.482 -10.492 -0.450 1.00 0.00 H new ATOM 0 HA ALA A 82 7.848 -11.573 1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.343 -9.671 1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.942 -10.483 -0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.158 -8.943 0.321 1.00 0.00 H new ATOM 1247 N LEU A 83 5.679 -9.288 2.380 1.00 0.00 N ATOM 1248 CA LEU A 83 5.014 -8.522 3.420 1.00 0.00 C ATOM 1249 C LEU A 83 4.102 -9.448 4.226 1.00 0.00 C ATOM 1250 O LEU A 83 3.434 -9.009 5.162 1.00 0.00 O ATOM 1251 CB LEU A 83 4.288 -7.318 2.816 1.00 0.00 C ATOM 1252 CG LEU A 83 5.155 -6.343 2.016 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.300 -5.250 1.373 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.271 -5.762 2.886 1.00 0.00 C ATOM 0 H LEU A 83 5.178 -9.327 1.492 1.00 0.00 H new ATOM 0 HA LEU A 83 5.745 -8.110 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.495 -7.686 2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.807 -6.766 3.624 1.00 0.00 H new ATOM 0 HG LEU A 83 5.633 -6.895 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.941 -4.571 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.574 -5.705 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.775 -4.694 2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.872 -5.072 2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.834 -5.229 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.903 -6.570 3.255 1.00 0.00 H new ATOM 1266 N LYS A 84 4.102 -10.714 3.835 1.00 0.00 N ATOM 1267 CA LYS A 84 3.283 -11.707 4.510 1.00 0.00 C ATOM 1268 C LYS A 84 2.002 -11.044 5.018 1.00 0.00 C ATOM 1269 O LYS A 84 1.580 -11.286 6.148 1.00 0.00 O ATOM 1270 CB LYS A 84 4.088 -12.411 5.604 1.00 0.00 C ATOM 1271 CG LYS A 84 4.762 -11.395 6.529 1.00 0.00 C ATOM 1272 CD LYS A 84 3.762 -10.823 7.536 1.00 0.00 C ATOM 1273 CE LYS A 84 4.484 -10.222 8.744 1.00 0.00 C ATOM 1274 NZ LYS A 84 3.508 -9.812 9.779 1.00 0.00 N ATOM 0 H LYS A 84 4.656 -11.075 3.059 1.00 0.00 H new ATOM 0 HA LYS A 84 2.982 -12.491 3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.430 -13.057 6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.844 -13.051 5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.586 -11.872 7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.190 -10.586 5.937 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.153 -10.058 7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.084 -11.609 7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.179 -10.951 9.160 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.075 -9.361 8.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.014 -9.406 10.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.861 -9.100 9.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.962 -10.641 10.090 1.00 0.00 H new ATOM 1288 N LEU A 85 1.419 -10.220 4.160 1.00 0.00 N ATOM 1289 CA LEU A 85 0.194 -9.520 4.509 1.00 0.00 C ATOM 1290 C LEU A 85 -0.956 -10.526 4.593 1.00 0.00 C ATOM 1291 O LEU A 85 -0.934 -11.557 3.924 1.00 0.00 O ATOM 1292 CB LEU A 85 -0.064 -8.372 3.531 1.00 0.00 C ATOM 1293 CG LEU A 85 -0.049 -6.964 4.131 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.046 -6.831 5.190 1.00 0.00 C ATOM 1295 CD2 LEU A 85 0.080 -5.903 3.036 1.00 0.00 C ATOM 0 H LEU A 85 1.772 -10.021 3.224 1.00 0.00 H new ATOM 0 HA LEU A 85 0.286 -9.057 5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.687 -8.417 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.033 -8.534 3.059 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.003 -6.796 4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.035 -5.821 5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.868 -7.550 5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.017 -7.027 4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.088 -4.912 3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.008 -6.058 2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.765 -5.982 2.351 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.960 -10.181 5.444 1.00 0.00 N ATOM 1308 CA PRO A 86 -3.116 -11.041 5.625 1.00 0.00 C ATOM 1309 C PRO A 86 -4.059 -10.953 4.423 1.00 0.00 C ATOM 1310 O PRO A 86 -4.302 -9.867 3.898 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.759 -10.569 6.919 1.00 0.00 C ATOM 1312 CG PRO A 86 -3.214 -9.173 7.170 1.00 0.00 C ATOM 1313 CD PRO A 86 -2.019 -8.967 6.253 1.00 0.00 C ATOM 0 HA PRO A 86 -2.849 -12.096 5.690 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.845 -10.554 6.833 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.514 -11.238 7.744 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.980 -8.423 6.973 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.919 -9.060 8.213 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -2.146 -8.082 5.630 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.101 -8.826 6.824 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.563 -12.110 4.021 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.473 -12.178 2.890 1.00 0.00 C ATOM 1323 C PHE A 87 -6.885 -11.750 3.297 1.00 0.00 C ATOM 1324 O PHE A 87 -7.158 -11.539 4.477 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.508 -13.636 2.430 1.00 0.00 C ATOM 1326 CG PHE A 87 -4.172 -14.149 1.887 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.368 -13.322 1.167 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.790 -15.433 2.124 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -2.129 -13.798 0.663 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.550 -15.909 1.620 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.746 -15.081 0.901 1.00 0.00 C ATOM 0 H PHE A 87 -4.359 -13.009 4.458 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.133 -11.510 2.098 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.813 -14.263 3.267 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.269 -13.744 1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.672 -12.303 0.978 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.429 -16.090 2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.491 -13.141 0.091 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.246 -16.928 1.808 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.803 -15.442 0.519 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.745 -11.635 2.295 1.00 0.00 N ATOM 1342 CA GLY A 88 -9.122 -11.237 2.534 1.00 0.00 C ATOM 1343 C GLY A 88 -9.193 -10.074 3.525 1.00 0.00 C ATOM 1344 O GLY A 88 -10.114 -9.999 4.336 1.00 0.00 O ATOM 0 H GLY A 88 -7.515 -11.810 1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.589 -10.946 1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.687 -12.085 2.922 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.206 -9.194 3.427 1.00 0.00 N ATOM 1349 CA LYS A 89 -8.145 -8.038 4.305 1.00 0.00 C ATOM 1350 C LYS A 89 -7.983 -6.771 3.463 1.00 0.00 C ATOM 1351 O LYS A 89 -7.906 -6.842 2.237 1.00 0.00 O ATOM 1352 CB LYS A 89 -7.048 -8.221 5.356 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.544 -9.079 6.523 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.744 -8.231 7.780 1.00 0.00 C ATOM 1355 CE LYS A 89 -6.420 -8.020 8.516 1.00 0.00 C ATOM 1356 NZ LYS A 89 -6.601 -7.093 9.655 1.00 0.00 N ATOM 0 H LYS A 89 -7.443 -9.259 2.753 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.076 -7.934 4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.177 -8.690 4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.728 -7.247 5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.483 -9.561 6.252 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.826 -9.873 6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.170 -7.266 7.508 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.459 -8.719 8.443 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.041 -8.977 8.875 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.675 -7.619 7.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.692 -6.961 10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.942 -6.175 9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.296 -7.490 10.319 1.00 0.00 H new ATOM 1370 N THR A 90 -7.937 -5.641 4.154 1.00 0.00 N ATOM 1371 CA THR A 90 -7.786 -4.361 3.484 1.00 0.00 C ATOM 1372 C THR A 90 -6.623 -3.575 4.093 1.00 0.00 C ATOM 1373 O THR A 90 -6.651 -3.233 5.274 1.00 0.00 O ATOM 1374 CB THR A 90 -9.125 -3.625 3.565 1.00 0.00 C ATOM 1375 OG1 THR A 90 -10.030 -4.471 2.861 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.128 -2.324 2.759 1.00 0.00 C ATOM 0 H THR A 90 -8.002 -5.586 5.170 1.00 0.00 H new ATOM 0 HA THR A 90 -7.533 -4.492 2.432 1.00 0.00 H new ATOM 0 HB THR A 90 -9.356 -3.407 4.608 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.924 -4.070 2.866 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.101 -1.842 2.850 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.355 -1.657 3.141 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.930 -2.545 1.710 1.00 0.00 H new ATOM 1384 N THR A 91 -5.628 -3.311 3.258 1.00 0.00 N ATOM 1385 CA THR A 91 -4.457 -2.572 3.699 1.00 0.00 C ATOM 1386 C THR A 91 -4.557 -1.108 3.266 1.00 0.00 C ATOM 1387 O THR A 91 -5.089 -0.808 2.199 1.00 0.00 O ATOM 1388 CB THR A 91 -3.217 -3.284 3.156 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.027 -4.380 4.046 1.00 0.00 O ATOM 1390 CG2 THR A 91 -1.945 -2.448 3.317 1.00 0.00 C ATOM 0 H THR A 91 -5.609 -3.596 2.279 1.00 0.00 H new ATOM 0 HA THR A 91 -4.387 -2.552 4.787 1.00 0.00 H new ATOM 0 HB THR A 91 -3.366 -3.519 2.102 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.472 -5.061 3.612 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.094 -2.999 2.916 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.056 -1.508 2.776 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.777 -2.241 4.374 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.036 -0.236 4.117 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.059 1.189 3.835 1.00 0.00 C ATOM 1400 C VAL A 92 -2.698 1.619 3.285 1.00 0.00 C ATOM 1401 O VAL A 92 -1.663 1.333 3.887 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.469 1.964 5.090 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.356 3.473 4.864 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -5.882 1.580 5.534 1.00 0.00 C ATOM 0 H VAL A 92 -3.596 -0.489 5.002 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.803 1.415 3.071 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.781 1.693 5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.653 4.000 5.771 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.325 3.728 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.009 3.768 4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.149 2.145 6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.589 1.808 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.917 0.513 5.755 1.00 0.00 H new ATOM 1414 N MET A 93 -2.742 2.298 2.149 1.00 0.00 N ATOM 1415 CA MET A 93 -1.524 2.770 1.511 1.00 0.00 C ATOM 1416 C MET A 93 -1.776 4.066 0.739 1.00 0.00 C ATOM 1417 O MET A 93 -2.889 4.310 0.275 1.00 0.00 O ATOM 1418 CB MET A 93 -1.001 1.698 0.553 1.00 0.00 C ATOM 1419 CG MET A 93 -0.208 0.629 1.306 1.00 0.00 C ATOM 1420 SD MET A 93 0.324 -0.647 0.176 1.00 0.00 S ATOM 1421 CE MET A 93 1.220 -1.704 1.301 1.00 0.00 C ATOM 0 H MET A 93 -3.602 2.533 1.653 1.00 0.00 H new ATOM 0 HA MET A 93 -0.784 2.969 2.286 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.837 1.234 0.029 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.367 2.160 -0.204 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.657 1.081 1.791 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.824 0.195 2.094 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.697 -2.509 0.742 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.982 -1.121 1.819 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.529 -2.128 2.030 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.724 4.864 0.626 1.00 0.00 N ATOM 1432 CA HIS A 94 -0.818 6.130 -0.082 1.00 0.00 C ATOM 1433 C HIS A 94 -0.006 6.055 -1.376 1.00 0.00 C ATOM 1434 O HIS A 94 1.095 5.506 -1.392 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.390 7.289 0.820 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.447 7.719 1.810 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -2.009 8.941 2.039 1.00 0.00 N flip ATOM 1438 CD2 HIS A 94 -2.040 6.843 2.701 1.00 0.00 C flip ATOM 1439 CE1 HIS A 94 -2.898 8.817 3.017 1.00 0.00 C flip ATOM 1440 NE2 HIS A 94 -2.918 7.517 3.429 1.00 0.00 N flip ATOM 0 H HIS A 94 0.197 4.659 1.013 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.855 6.322 -0.355 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.508 6.999 1.366 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.122 8.142 0.196 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -1.784 9.803 1.543 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.824 5.788 2.788 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.505 9.614 3.420 1.00 0.00 H new