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 160:sc= -0.577 USER MOD Set 1.2: A 36 ASN : amide:sc= -0.257 X(o=-0.83,f=-0.58) USER MOD Set 2.1: A 18 ASN : amide:sc= -1.92 K(o=-1.9,f=-9.5!) USER MOD Set 2.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 178:sc= -0.311 (180deg=-0.315) 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= -0.973 K(o=-0.97,f=0.11) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.27 K(o=-0.27,f=-2.2!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 77 ASN : amide:sc= -0.373 K(o=-0.37,f=-2.8!) 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 -134:sc= -3.93! (180deg=-7.66!) USER MOD Single : A 94 HIS : no HD1:sc= -0.299 K(o=-0.3,f=-1) USER MOD ----------------------------------------------------------------- ATOM 122 N VAL A 12 -13.196 -9.714 0.087 1.00 0.00 N ATOM 123 CA VAL A 12 -11.950 -10.117 -0.544 1.00 0.00 C ATOM 124 C VAL A 12 -11.635 -11.565 -0.162 1.00 0.00 C ATOM 125 O VAL A 12 -11.901 -11.986 0.962 1.00 0.00 O ATOM 126 CB VAL A 12 -10.833 -9.142 -0.165 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.468 -9.676 -0.603 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.094 -7.754 -0.754 1.00 0.00 C ATOM 0 HA VAL A 12 -12.042 -10.080 -1.630 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.823 -9.048 0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.692 -8.964 -0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.278 -10.632 -0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.461 -9.813 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.286 -7.080 -0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.144 -7.823 -1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.039 -7.368 -0.372 1.00 0.00 H new ATOM 138 N PRO A 13 -11.058 -12.306 -1.146 1.00 0.00 N ATOM 139 CA PRO A 13 -10.704 -13.697 -0.924 1.00 0.00 C ATOM 140 C PRO A 13 -9.450 -13.812 -0.055 1.00 0.00 C ATOM 141 O PRO A 13 -8.884 -12.803 0.361 1.00 0.00 O ATOM 142 CB PRO A 13 -10.518 -14.282 -2.315 1.00 0.00 C ATOM 143 CG PRO A 13 -10.318 -13.095 -3.243 1.00 0.00 C ATOM 144 CD PRO A 13 -10.729 -11.840 -2.490 1.00 0.00 C ATOM 0 HA PRO A 13 -11.471 -14.244 -0.375 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.658 -14.951 -2.346 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.388 -14.868 -2.612 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.277 -13.028 -3.557 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.917 -13.212 -4.146 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.921 -11.108 -2.469 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.584 -11.357 -2.962 1.00 0.00 H new ATOM 152 N ALA A 14 -9.054 -15.052 0.195 1.00 0.00 N ATOM 153 CA ALA A 14 -7.878 -15.312 1.008 1.00 0.00 C ATOM 154 C ALA A 14 -6.668 -15.520 0.095 1.00 0.00 C ATOM 155 O ALA A 14 -5.585 -15.868 0.563 1.00 0.00 O ATOM 156 CB ALA A 14 -8.140 -16.517 1.914 1.00 0.00 C ATOM 0 H ALA A 14 -9.527 -15.887 -0.151 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.661 -14.461 1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.258 -16.712 2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.990 -16.306 2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.359 -17.392 1.302 1.00 0.00 H new ATOM 162 N ASP A 15 -6.893 -15.299 -1.192 1.00 0.00 N ATOM 163 CA ASP A 15 -5.835 -15.459 -2.175 1.00 0.00 C ATOM 164 C ASP A 15 -5.402 -14.081 -2.679 1.00 0.00 C ATOM 165 O ASP A 15 -4.279 -13.914 -3.154 1.00 0.00 O ATOM 166 CB ASP A 15 -6.318 -16.272 -3.377 1.00 0.00 C ATOM 167 CG ASP A 15 -5.253 -16.552 -4.439 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.059 -16.514 -4.069 1.00 0.00 O ATOM 169 OD2 ASP A 15 -5.655 -16.798 -5.596 1.00 0.00 O ATOM 0 H ASP A 15 -7.793 -15.010 -1.577 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.006 -15.981 -1.697 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.711 -17.223 -3.019 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.147 -15.741 -3.846 1.00 0.00 H new ATOM 174 N MET A 16 -6.314 -13.128 -2.560 1.00 0.00 N ATOM 175 CA MET A 16 -6.041 -11.770 -2.998 1.00 0.00 C ATOM 176 C MET A 16 -5.910 -10.824 -1.803 1.00 0.00 C ATOM 177 O MET A 16 -6.410 -11.117 -0.717 1.00 0.00 O ATOM 178 CB MET A 16 -7.172 -11.289 -3.909 1.00 0.00 C ATOM 179 CG MET A 16 -7.234 -12.120 -5.192 1.00 0.00 C ATOM 180 SD MET A 16 -7.459 -11.048 -6.602 1.00 0.00 S ATOM 181 CE MET A 16 -5.797 -10.426 -6.788 1.00 0.00 C ATOM 0 H MET A 16 -7.244 -13.270 -2.166 1.00 0.00 H new ATOM 0 HA MET A 16 -5.098 -11.768 -3.544 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.123 -11.357 -3.381 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.021 -10.239 -4.159 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.316 -12.697 -5.306 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.055 -12.835 -5.133 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.751 -9.764 -7.652 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.513 -9.874 -5.892 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.110 -11.260 -6.933 1.00 0.00 H new ATOM 191 N ILE A 17 -5.236 -9.709 -2.042 1.00 0.00 N ATOM 192 CA ILE A 17 -5.033 -8.718 -0.998 1.00 0.00 C ATOM 193 C ILE A 17 -5.710 -7.408 -1.406 1.00 0.00 C ATOM 194 O ILE A 17 -5.455 -6.885 -2.490 1.00 0.00 O ATOM 195 CB ILE A 17 -3.543 -8.568 -0.684 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.893 -9.933 -0.446 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.324 -7.616 0.493 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.563 -10.044 -1.194 1.00 0.00 C ATOM 0 H ILE A 17 -4.823 -9.469 -2.943 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.500 -9.043 -0.068 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.054 -8.125 -1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.728 -10.080 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.567 -10.723 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.257 -7.527 0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.730 -6.635 0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.829 -8.007 1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.122 -11.023 -1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.735 -9.921 -2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.883 -9.267 -0.844 1.00 0.00 H new ATOM 210 N ASN A 18 -6.560 -6.917 -0.517 1.00 0.00 N ATOM 211 CA ASN A 18 -7.276 -5.678 -0.771 1.00 0.00 C ATOM 212 C ASN A 18 -6.413 -4.495 -0.325 1.00 0.00 C ATOM 213 O ASN A 18 -6.031 -4.405 0.841 1.00 0.00 O ATOM 214 CB ASN A 18 -8.588 -5.629 0.015 1.00 0.00 C ATOM 215 CG ASN A 18 -9.485 -4.496 -0.487 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.110 -3.700 -1.331 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.689 -4.469 0.078 1.00 0.00 N ATOM 0 H ASN A 18 -6.769 -7.354 0.380 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.493 -5.626 -1.838 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.110 -6.581 -0.082 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.376 -5.488 1.075 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.362 -3.751 -0.190 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.939 -5.166 0.779 1.00 0.00 H new ATOM 224 N LEU A 19 -6.132 -3.617 -1.277 1.00 0.00 N ATOM 225 CA LEU A 19 -5.322 -2.444 -0.997 1.00 0.00 C ATOM 226 C LEU A 19 -6.170 -1.186 -1.194 1.00 0.00 C ATOM 227 O LEU A 19 -6.822 -1.027 -2.225 1.00 0.00 O ATOM 228 CB LEU A 19 -4.044 -2.462 -1.837 1.00 0.00 C ATOM 229 CG LEU A 19 -2.864 -3.238 -1.247 1.00 0.00 C ATOM 230 CD1 LEU A 19 -2.060 -2.362 -0.284 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.336 -4.534 -0.586 1.00 0.00 C ATOM 0 H LEU A 19 -6.451 -3.695 -2.243 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.992 -2.448 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.280 -2.886 -2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.729 -1.432 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.196 -3.518 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.227 -2.937 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.675 -1.493 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.704 -2.032 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.478 -5.066 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.036 -4.299 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.831 -5.161 -1.327 1.00 0.00 H new ATOM 243 N ARG A 20 -6.133 -0.323 -0.189 1.00 0.00 N ATOM 244 CA ARG A 20 -6.889 0.917 -0.239 1.00 0.00 C ATOM 245 C ARG A 20 -6.036 2.036 -0.838 1.00 0.00 C ATOM 246 O ARG A 20 -5.107 2.525 -0.196 1.00 0.00 O ATOM 247 CB ARG A 20 -7.358 1.333 1.157 1.00 0.00 C ATOM 248 CG ARG A 20 -8.871 1.159 1.302 1.00 0.00 C ATOM 249 CD ARG A 20 -9.271 1.052 2.775 1.00 0.00 C ATOM 250 NE ARG A 20 -10.503 0.243 2.907 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.274 0.223 4.003 1.00 0.00 C ATOM 252 NH1 ARG A 20 -10.945 0.966 5.068 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.375 -0.541 4.034 1.00 0.00 N ATOM 0 H ARG A 20 -5.591 -0.458 0.665 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.763 0.747 -0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.846 0.734 1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.089 2.373 1.340 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.384 2.004 0.843 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.191 0.264 0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.463 0.596 3.348 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.433 2.047 3.190 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.783 -0.335 2.115 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.107 1.547 5.045 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.532 0.950 5.902 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.626 -1.107 3.223 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.962 -0.556 4.868 1.00 0.00 H new ATOM 267 N LEU A 21 -6.380 2.410 -2.062 1.00 0.00 N ATOM 268 CA LEU A 21 -5.657 3.462 -2.754 1.00 0.00 C ATOM 269 C LEU A 21 -6.177 4.824 -2.289 1.00 0.00 C ATOM 270 O LEU A 21 -7.386 5.041 -2.221 1.00 0.00 O ATOM 271 CB LEU A 21 -5.735 3.259 -4.269 1.00 0.00 C ATOM 272 CG LEU A 21 -4.838 2.162 -4.846 1.00 0.00 C ATOM 273 CD1 LEU A 21 -3.378 2.617 -4.892 1.00 0.00 C ATOM 274 CD2 LEU A 21 -5.006 0.853 -4.072 1.00 0.00 C ATOM 0 H LEU A 21 -7.150 2.002 -2.592 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.597 3.423 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.768 3.032 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.482 4.201 -4.755 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.149 1.971 -5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.761 1.819 -5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.293 3.504 -5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.038 2.852 -3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.357 0.090 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.737 1.011 -3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.043 0.524 -4.134 1.00 0.00 H new ATOM 286 N ILE A 22 -5.238 5.706 -1.980 1.00 0.00 N ATOM 287 CA ILE A 22 -5.586 7.041 -1.523 1.00 0.00 C ATOM 288 C ILE A 22 -4.752 8.071 -2.288 1.00 0.00 C ATOM 289 O ILE A 22 -3.524 8.002 -2.291 1.00 0.00 O ATOM 290 CB ILE A 22 -5.443 7.141 -0.003 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.443 6.222 0.703 1.00 0.00 C ATOM 292 CG2 ILE A 22 -5.569 8.592 0.465 1.00 0.00 C ATOM 293 CD1 ILE A 22 -5.761 5.421 1.814 1.00 0.00 C ATOM 0 H ILE A 22 -4.236 5.522 -2.037 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.633 7.256 -1.737 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.444 6.800 0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.254 6.816 1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.889 5.540 -0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.464 8.635 1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.788 9.193 0.000 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.546 8.983 0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.493 4.776 2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.966 4.810 1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.337 6.106 2.548 1.00 0.00 H new ATOM 416 N GLU A 30 -10.696 0.464 -3.084 1.00 0.00 N ATOM 417 CA GLU A 30 -10.267 -0.891 -2.784 1.00 0.00 C ATOM 418 C GLU A 30 -9.842 -1.610 -4.066 1.00 0.00 C ATOM 419 O GLU A 30 -10.596 -1.651 -5.037 1.00 0.00 O ATOM 420 CB GLU A 30 -11.368 -1.667 -2.059 1.00 0.00 C ATOM 421 CG GLU A 30 -11.899 -0.877 -0.862 1.00 0.00 C ATOM 422 CD GLU A 30 -12.977 -1.668 -0.117 1.00 0.00 C ATOM 423 OE1 GLU A 30 -14.008 -1.964 -0.757 1.00 0.00 O ATOM 424 OE2 GLU A 30 -12.744 -1.959 1.076 1.00 0.00 O ATOM 0 HA GLU A 30 -9.406 -0.839 -2.118 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.184 -1.879 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.979 -2.628 -1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.079 -0.644 -0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.310 0.073 -1.202 1.00 0.00 H new ATOM 431 N PHE A 31 -8.637 -2.158 -4.028 1.00 0.00 N ATOM 432 CA PHE A 31 -8.103 -2.873 -5.175 1.00 0.00 C ATOM 433 C PHE A 31 -7.839 -4.340 -4.832 1.00 0.00 C ATOM 434 O PHE A 31 -8.185 -4.800 -3.745 1.00 0.00 O ATOM 435 CB PHE A 31 -6.779 -2.201 -5.544 1.00 0.00 C ATOM 436 CG PHE A 31 -6.932 -0.988 -6.464 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.770 0.026 -6.119 1.00 0.00 C ATOM 438 CD2 PHE A 31 -6.230 -0.924 -7.627 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.911 1.152 -6.972 1.00 0.00 C ATOM 440 CE2 PHE A 31 -6.371 0.202 -8.481 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.209 1.216 -8.135 1.00 0.00 C ATOM 0 H PHE A 31 -8.015 -2.122 -3.221 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.817 -2.843 -5.998 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.274 -1.889 -4.630 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.135 -2.934 -6.030 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.328 -0.025 -5.196 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.565 -1.730 -7.901 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.576 1.958 -6.697 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.813 0.253 -9.404 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.317 2.072 -8.784 1.00 0.00 H new ATOM 451 N LEU A 32 -7.228 -5.035 -5.780 1.00 0.00 N ATOM 452 CA LEU A 32 -6.913 -6.441 -5.592 1.00 0.00 C ATOM 453 C LEU A 32 -5.504 -6.719 -6.120 1.00 0.00 C ATOM 454 O LEU A 32 -5.152 -6.289 -7.217 1.00 0.00 O ATOM 455 CB LEU A 32 -7.991 -7.321 -6.227 1.00 0.00 C ATOM 456 CG LEU A 32 -9.286 -7.478 -5.427 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.490 -7.637 -6.358 1.00 0.00 C ATOM 458 CD2 LEU A 32 -9.177 -8.633 -4.429 1.00 0.00 C ATOM 0 H LEU A 32 -6.943 -4.651 -6.681 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.912 -6.692 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.239 -6.908 -7.205 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.570 -8.312 -6.397 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.443 -6.567 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.397 -7.747 -5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.577 -6.756 -6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.354 -8.522 -6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.110 -8.723 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.984 -9.561 -4.967 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.359 -8.438 -3.735 1.00 0.00 H new ATOM 470 N PHE A 33 -4.735 -7.436 -5.313 1.00 0.00 N ATOM 471 CA PHE A 33 -3.372 -7.777 -5.685 1.00 0.00 C ATOM 472 C PHE A 33 -2.969 -9.134 -5.106 1.00 0.00 C ATOM 473 O PHE A 33 -3.649 -9.666 -4.230 1.00 0.00 O ATOM 474 CB PHE A 33 -2.465 -6.694 -5.096 1.00 0.00 C ATOM 475 CG PHE A 33 -2.758 -5.286 -5.616 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.738 -5.037 -6.953 1.00 0.00 C ATOM 477 CD2 PHE A 33 -3.039 -4.283 -4.742 1.00 0.00 C ATOM 478 CE1 PHE A 33 -3.010 -3.729 -7.436 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.311 -2.975 -5.225 1.00 0.00 C ATOM 480 CZ PHE A 33 -3.291 -2.726 -6.562 1.00 0.00 C ATOM 0 H PHE A 33 -5.030 -7.790 -4.403 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.285 -7.835 -6.770 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.569 -6.698 -4.011 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.427 -6.943 -5.318 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.515 -5.834 -7.647 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.055 -4.481 -3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.994 -3.531 -8.498 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.534 -2.178 -4.531 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.498 -1.732 -6.929 1.00 0.00 H new ATOM 490 N SER A 34 -1.864 -9.656 -5.619 1.00 0.00 N ATOM 491 CA SER A 34 -1.362 -10.941 -5.164 1.00 0.00 C ATOM 492 C SER A 34 -0.075 -10.745 -4.361 1.00 0.00 C ATOM 493 O SER A 34 0.545 -9.685 -4.423 1.00 0.00 O ATOM 494 CB SER A 34 -1.113 -11.884 -6.343 1.00 0.00 C ATOM 495 OG SER A 34 0.157 -12.524 -6.256 1.00 0.00 O ATOM 0 H SER A 34 -1.302 -9.212 -6.346 1.00 0.00 H new ATOM 0 HA SER A 34 -2.117 -11.396 -4.523 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.898 -12.639 -6.375 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.173 -11.322 -7.275 1.00 0.00 H new ATOM 0 HG SER A 34 0.157 -13.329 -6.815 1.00 0.00 H new ATOM 501 N PRO A 35 0.298 -11.812 -3.604 1.00 0.00 N ATOM 502 CA PRO A 35 1.500 -11.768 -2.789 1.00 0.00 C ATOM 503 C PRO A 35 2.755 -11.898 -3.655 1.00 0.00 C ATOM 504 O PRO A 35 3.873 -11.787 -3.154 1.00 0.00 O ATOM 505 CB PRO A 35 1.343 -12.906 -1.795 1.00 0.00 C ATOM 506 CG PRO A 35 0.290 -13.831 -2.382 1.00 0.00 C ATOM 507 CD PRO A 35 -0.411 -13.084 -3.505 1.00 0.00 C ATOM 0 HA PRO A 35 1.622 -10.818 -2.269 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.287 -13.431 -1.651 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.034 -12.532 -0.819 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.751 -14.744 -2.760 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.426 -14.129 -1.616 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.361 -13.639 -4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.467 -12.932 -3.281 1.00 0.00 H new ATOM 515 N ASN A 36 2.528 -12.132 -4.939 1.00 0.00 N ATOM 516 CA ASN A 36 3.626 -12.279 -5.879 1.00 0.00 C ATOM 517 C ASN A 36 3.875 -10.942 -6.579 1.00 0.00 C ATOM 518 O ASN A 36 4.995 -10.657 -7.001 1.00 0.00 O ATOM 519 CB ASN A 36 3.297 -13.320 -6.951 1.00 0.00 C ATOM 520 CG ASN A 36 3.393 -14.739 -6.386 1.00 0.00 C ATOM 521 OD1 ASN A 36 4.293 -15.500 -6.700 1.00 0.00 O ATOM 522 ND2 ASN A 36 2.417 -15.050 -5.537 1.00 0.00 N ATOM 0 H ASN A 36 1.599 -12.223 -5.351 1.00 0.00 H new ATOM 0 HA ASN A 36 4.506 -12.600 -5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.292 -13.145 -7.336 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.984 -13.212 -7.791 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.392 -15.974 -5.105 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.694 -14.365 -5.318 1.00 0.00 H new ATOM 529 N ASP A 37 2.813 -10.156 -6.679 1.00 0.00 N ATOM 530 CA ASP A 37 2.902 -8.855 -7.321 1.00 0.00 C ATOM 531 C ASP A 37 3.792 -7.937 -6.480 1.00 0.00 C ATOM 532 O ASP A 37 3.634 -7.858 -5.263 1.00 0.00 O ATOM 533 CB ASP A 37 1.524 -8.202 -7.436 1.00 0.00 C ATOM 534 CG ASP A 37 0.536 -8.932 -8.347 1.00 0.00 C ATOM 535 OD1 ASP A 37 0.978 -9.899 -9.004 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.639 -8.507 -8.367 1.00 0.00 O ATOM 0 H ASP A 37 1.886 -10.395 -6.326 1.00 0.00 H new ATOM 0 HA ASP A 37 3.317 -8.999 -8.319 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.089 -8.128 -6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.651 -7.184 -7.805 1.00 0.00 H new ATOM 541 N SER A 38 4.709 -7.267 -7.163 1.00 0.00 N ATOM 542 CA SER A 38 5.624 -6.358 -6.495 1.00 0.00 C ATOM 543 C SER A 38 5.029 -4.949 -6.460 1.00 0.00 C ATOM 544 O SER A 38 4.051 -4.667 -7.150 1.00 0.00 O ATOM 545 CB SER A 38 6.988 -6.342 -7.187 1.00 0.00 C ATOM 546 OG SER A 38 6.931 -5.714 -8.465 1.00 0.00 O ATOM 0 H SER A 38 4.838 -7.336 -8.173 1.00 0.00 H new ATOM 0 HA SER A 38 5.770 -6.709 -5.473 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.708 -5.819 -6.558 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.349 -7.364 -7.301 1.00 0.00 H new ATOM 0 HG SER A 38 7.822 -5.722 -8.874 1.00 0.00 H new ATOM 552 N ALA A 39 5.646 -4.101 -5.650 1.00 0.00 N ATOM 553 CA ALA A 39 5.190 -2.727 -5.517 1.00 0.00 C ATOM 554 C ALA A 39 4.933 -2.143 -6.907 1.00 0.00 C ATOM 555 O ALA A 39 3.945 -1.439 -7.116 1.00 0.00 O ATOM 556 CB ALA A 39 6.222 -1.921 -4.727 1.00 0.00 C ATOM 0 H ALA A 39 6.457 -4.338 -5.079 1.00 0.00 H new ATOM 0 HA ALA A 39 4.252 -2.686 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.880 -0.891 -4.627 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.346 -2.360 -3.737 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.177 -1.937 -5.253 1.00 0.00 H new ATOM 562 N SER A 40 5.838 -2.455 -7.822 1.00 0.00 N ATOM 563 CA SER A 40 5.722 -1.970 -9.187 1.00 0.00 C ATOM 564 C SER A 40 4.359 -2.355 -9.765 1.00 0.00 C ATOM 565 O SER A 40 3.549 -1.487 -10.086 1.00 0.00 O ATOM 566 CB SER A 40 6.847 -2.521 -10.065 1.00 0.00 C ATOM 567 OG SER A 40 7.824 -1.529 -10.368 1.00 0.00 O ATOM 0 H SER A 40 6.656 -3.038 -7.645 1.00 0.00 H new ATOM 0 HA SER A 40 5.809 -0.884 -9.173 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.326 -3.358 -9.557 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.426 -2.910 -10.992 1.00 0.00 H new ATOM 0 HG SER A 40 8.526 -1.921 -10.929 1.00 0.00 H new ATOM 573 N ASP A 41 4.148 -3.658 -9.881 1.00 0.00 N ATOM 574 CA ASP A 41 2.897 -4.169 -10.415 1.00 0.00 C ATOM 575 C ASP A 41 1.738 -3.326 -9.882 1.00 0.00 C ATOM 576 O ASP A 41 0.893 -2.870 -10.651 1.00 0.00 O ATOM 577 CB ASP A 41 2.665 -5.619 -9.983 1.00 0.00 C ATOM 578 CG ASP A 41 3.218 -6.676 -10.941 1.00 0.00 C ATOM 579 OD1 ASP A 41 4.352 -6.467 -11.423 1.00 0.00 O ATOM 580 OD2 ASP A 41 2.493 -7.668 -11.170 1.00 0.00 O ATOM 0 H ASP A 41 4.822 -4.375 -9.614 1.00 0.00 H new ATOM 0 HA ASP A 41 2.950 -4.121 -11.503 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.118 -5.767 -9.002 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.593 -5.781 -9.867 1.00 0.00 H new ATOM 585 N ILE A 42 1.734 -3.144 -8.570 1.00 0.00 N ATOM 586 CA ILE A 42 0.692 -2.363 -7.925 1.00 0.00 C ATOM 587 C ILE A 42 0.670 -0.956 -8.526 1.00 0.00 C ATOM 588 O ILE A 42 -0.228 -0.621 -9.297 1.00 0.00 O ATOM 589 CB ILE A 42 0.872 -2.380 -6.406 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.791 -3.807 -5.860 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.131 -1.447 -5.725 1.00 0.00 C ATOM 592 CD1 ILE A 42 0.996 -3.826 -4.344 1.00 0.00 C ATOM 0 H ILE A 42 2.436 -3.524 -7.935 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.287 -2.806 -8.112 1.00 0.00 H new ATOM 0 HB ILE A 42 1.869 -2.004 -6.176 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.179 -4.239 -6.105 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.547 -4.428 -6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.018 -1.478 -4.646 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.018 -0.428 -6.083 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.145 -1.769 -5.960 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.934 -4.852 -3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.977 -3.415 -4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.224 -3.224 -3.865 1.00 0.00 H new ATOM 604 N ALA A 43 1.668 -0.170 -8.151 1.00 0.00 N ATOM 605 CA ALA A 43 1.774 1.192 -8.643 1.00 0.00 C ATOM 606 C ALA A 43 1.368 1.231 -10.118 1.00 0.00 C ATOM 607 O ALA A 43 0.516 2.026 -10.510 1.00 0.00 O ATOM 608 CB ALA A 43 3.197 1.708 -8.417 1.00 0.00 C ATOM 0 H ALA A 43 2.411 -0.451 -7.511 1.00 0.00 H new ATOM 0 HA ALA A 43 1.098 1.850 -8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.276 2.730 -8.786 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.426 1.688 -7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.903 1.073 -8.952 1.00 0.00 H new ATOM 614 N LYS A 44 1.997 0.361 -10.894 1.00 0.00 N ATOM 615 CA LYS A 44 1.712 0.285 -12.317 1.00 0.00 C ATOM 616 C LYS A 44 0.203 0.143 -12.523 1.00 0.00 C ATOM 617 O LYS A 44 -0.420 0.979 -13.176 1.00 0.00 O ATOM 618 CB LYS A 44 2.530 -0.832 -12.969 1.00 0.00 C ATOM 619 CG LYS A 44 3.280 -0.316 -14.198 1.00 0.00 C ATOM 620 CD LYS A 44 4.684 0.163 -13.823 1.00 0.00 C ATOM 621 CE LYS A 44 5.310 0.973 -14.961 1.00 0.00 C ATOM 622 NZ LYS A 44 5.568 2.363 -14.526 1.00 0.00 N ATOM 0 H LYS A 44 2.703 -0.297 -10.565 1.00 0.00 H new ATOM 0 HA LYS A 44 2.017 1.204 -12.816 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.241 -1.236 -12.248 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.870 -1.650 -13.258 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.349 -1.107 -14.945 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.722 0.503 -14.652 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.635 0.774 -12.922 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.315 -0.695 -13.593 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.242 0.506 -15.278 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.644 0.973 -15.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.993 2.899 -15.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.672 2.811 -14.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.221 2.358 -13.716 1.00 0.00 H new ATOM 636 N HIS A 45 -0.342 -0.922 -11.954 1.00 0.00 N ATOM 637 CA HIS A 45 -1.767 -1.185 -12.067 1.00 0.00 C ATOM 638 C HIS A 45 -2.547 0.112 -11.848 1.00 0.00 C ATOM 639 O HIS A 45 -3.370 0.495 -12.678 1.00 0.00 O ATOM 640 CB HIS A 45 -2.191 -2.301 -11.111 1.00 0.00 C ATOM 641 CG HIS A 45 -3.681 -2.544 -11.073 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.315 -3.447 -11.909 1.00 0.00 N ATOM 643 CD2 HIS A 45 -4.654 -1.994 -10.292 1.00 0.00 C ATOM 644 CE1 HIS A 45 -5.611 -3.432 -11.635 1.00 0.00 C ATOM 645 NE2 HIS A 45 -5.819 -2.531 -10.633 1.00 0.00 N ATOM 0 H HIS A 45 0.178 -1.613 -11.413 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.996 -1.541 -13.072 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.690 -3.224 -11.402 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.848 -2.055 -10.106 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.502 -1.248 -9.526 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.369 -4.029 -12.120 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.722 -2.307 -10.214 1.00 0.00 H new ATOM 997 N LEU A 67 5.418 3.680 -3.190 1.00 0.00 N ATOM 998 CA LEU A 67 4.164 3.395 -2.514 1.00 0.00 C ATOM 999 C LEU A 67 4.350 3.574 -1.006 1.00 0.00 C ATOM 1000 O LEU A 67 5.246 2.976 -0.413 1.00 0.00 O ATOM 1001 CB LEU A 67 3.644 2.011 -2.910 1.00 0.00 C ATOM 1002 CG LEU A 67 3.255 1.086 -1.755 1.00 0.00 C ATOM 1003 CD1 LEU A 67 2.000 1.594 -1.044 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.095 -0.357 -2.239 1.00 0.00 C ATOM 0 HA LEU A 67 3.394 4.101 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.774 2.142 -3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.409 1.514 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 67 4.064 1.093 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.746 0.918 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.186 2.591 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.172 1.635 -1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.818 -0.994 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.316 -0.401 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.037 -0.705 -2.663 1.00 0.00 H new ATOM 1016 N ILE A 68 3.488 4.399 -0.430 1.00 0.00 N ATOM 1017 CA ILE A 68 3.547 4.664 0.998 1.00 0.00 C ATOM 1018 C ILE A 68 2.598 3.711 1.728 1.00 0.00 C ATOM 1019 O ILE A 68 1.495 3.445 1.256 1.00 0.00 O ATOM 1020 CB ILE A 68 3.271 6.142 1.280 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.432 7.017 0.803 1.00 0.00 C ATOM 1022 CG2 ILE A 68 2.952 6.368 2.759 1.00 0.00 C ATOM 1023 CD1 ILE A 68 4.081 7.728 -0.506 1.00 0.00 C ATOM 0 H ILE A 68 2.745 4.892 -0.925 1.00 0.00 H new ATOM 0 HA ILE A 68 4.549 4.472 1.381 1.00 0.00 H new ATOM 0 HB ILE A 68 2.389 6.439 0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.674 7.755 1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.321 6.402 0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.760 7.427 2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.070 5.790 3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.799 6.049 3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.923 8.343 -0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.863 6.987 -1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.207 8.361 -0.353 1.00 0.00 H new ATOM 1035 N TYR A 69 3.064 3.223 2.869 1.00 0.00 N ATOM 1036 CA TYR A 69 2.271 2.306 3.669 1.00 0.00 C ATOM 1037 C TYR A 69 2.464 2.574 5.163 1.00 0.00 C ATOM 1038 O TYR A 69 3.563 2.407 5.691 1.00 0.00 O ATOM 1039 CB TYR A 69 2.791 0.904 3.344 1.00 0.00 C ATOM 1040 CG TYR A 69 2.176 -0.203 4.201 1.00 0.00 C ATOM 1041 CD1 TYR A 69 0.926 -0.029 4.760 1.00 0.00 C ATOM 1042 CD2 TYR A 69 2.870 -1.376 4.416 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.346 -1.071 5.567 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.291 -2.418 5.224 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.058 -2.214 5.759 1.00 0.00 C ATOM 1046 OH TYR A 69 0.510 -3.199 6.522 1.00 0.00 O ATOM 0 H TYR A 69 3.980 3.446 3.258 1.00 0.00 H new ATOM 0 HA TYR A 69 1.210 2.421 3.445 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.593 0.689 2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.873 0.890 3.473 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.383 0.889 4.592 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.848 -1.513 3.978 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.631 -0.948 6.009 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.824 -3.340 5.401 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.466 -3.168 6.444 1.00 0.00 H new ATOM 1056 N GLN A 70 1.379 2.984 5.803 1.00 0.00 N ATOM 1057 CA GLN A 70 1.415 3.277 7.226 1.00 0.00 C ATOM 1058 C GLN A 70 2.238 4.540 7.487 1.00 0.00 C ATOM 1059 O GLN A 70 2.496 4.891 8.638 1.00 0.00 O ATOM 1060 CB GLN A 70 1.968 2.089 8.016 1.00 0.00 C ATOM 1061 CG GLN A 70 0.841 1.316 8.704 1.00 0.00 C ATOM 1062 CD GLN A 70 1.234 0.927 10.131 1.00 0.00 C ATOM 1063 OE1 GLN A 70 2.360 1.112 10.564 1.00 0.00 O ATOM 1064 NE2 GLN A 70 0.248 0.378 10.833 1.00 0.00 N ATOM 0 H GLN A 70 0.469 3.120 5.362 1.00 0.00 H new ATOM 0 HA GLN A 70 0.395 3.455 7.567 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.513 1.424 7.346 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.679 2.443 8.762 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.062 1.925 8.725 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.607 0.419 8.130 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.671 0.252 10.409 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.410 0.083 11.796 1.00 0.00 H new ATOM 1073 N GLY A 71 2.629 5.189 6.400 1.00 0.00 N ATOM 1074 CA GLY A 71 3.417 6.406 6.497 1.00 0.00 C ATOM 1075 C GLY A 71 4.751 6.254 5.764 1.00 0.00 C ATOM 1076 O GLY A 71 5.184 7.165 5.060 1.00 0.00 O ATOM 0 H GLY A 71 2.415 4.895 5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.858 7.240 6.073 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.599 6.643 7.545 1.00 0.00 H new ATOM 1080 N ARG A 72 5.366 5.096 5.954 1.00 0.00 N ATOM 1081 CA ARG A 72 6.643 4.814 5.319 1.00 0.00 C ATOM 1082 C ARG A 72 6.432 4.415 3.857 1.00 0.00 C ATOM 1083 O ARG A 72 5.296 4.313 3.396 1.00 0.00 O ATOM 1084 CB ARG A 72 7.382 3.688 6.046 1.00 0.00 C ATOM 1085 CG ARG A 72 6.826 2.320 5.647 1.00 0.00 C ATOM 1086 CD ARG A 72 7.139 1.269 6.714 1.00 0.00 C ATOM 1087 NE ARG A 72 7.054 -0.088 6.129 1.00 0.00 N ATOM 1088 CZ ARG A 72 7.056 -1.218 6.848 1.00 0.00 C ATOM 1089 NH1 ARG A 72 7.138 -1.162 8.184 1.00 0.00 N ATOM 1090 NH2 ARG A 72 6.975 -2.405 6.231 1.00 0.00 N ATOM 0 H ARG A 72 5.004 4.342 6.538 1.00 0.00 H new ATOM 0 HA ARG A 72 7.246 5.721 5.368 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.445 3.735 5.811 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.288 3.823 7.124 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.748 2.389 5.505 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.254 2.014 4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.137 1.437 7.120 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.438 1.361 7.543 1.00 0.00 H new ATOM 0 HE ARG A 72 6.990 -0.168 5.114 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.199 -0.259 8.654 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.139 -2.023 8.731 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.912 -2.448 5.214 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.977 -3.266 6.779 1.00 0.00 H new ATOM 1104 N PHE A 73 7.544 4.201 3.170 1.00 0.00 N ATOM 1105 CA PHE A 73 7.495 3.815 1.769 1.00 0.00 C ATOM 1106 C PHE A 73 7.974 2.375 1.580 1.00 0.00 C ATOM 1107 O PHE A 73 8.780 1.877 2.364 1.00 0.00 O ATOM 1108 CB PHE A 73 8.435 4.756 1.014 1.00 0.00 C ATOM 1109 CG PHE A 73 7.965 6.212 0.981 1.00 0.00 C ATOM 1110 CD1 PHE A 73 7.837 6.912 2.140 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.673 6.806 -0.208 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.400 8.263 2.109 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.237 8.157 -0.238 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.109 8.857 0.921 1.00 0.00 C ATOM 0 H PHE A 73 8.484 4.287 3.556 1.00 0.00 H new ATOM 0 HA PHE A 73 6.471 3.880 1.400 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.422 4.714 1.475 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.546 4.398 -0.009 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.068 6.441 3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.773 6.250 -1.129 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.299 8.819 3.029 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.007 8.629 -1.182 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.776 9.884 0.898 1.00 0.00 H new ATOM 1124 N LEU A 74 7.457 1.746 0.534 1.00 0.00 N ATOM 1125 CA LEU A 74 7.822 0.372 0.232 1.00 0.00 C ATOM 1126 C LEU A 74 8.759 0.353 -0.978 1.00 0.00 C ATOM 1127 O LEU A 74 8.670 1.214 -1.851 1.00 0.00 O ATOM 1128 CB LEU A 74 6.569 -0.488 0.053 1.00 0.00 C ATOM 1129 CG LEU A 74 5.622 -0.550 1.253 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.404 -1.423 0.945 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.359 -1.018 2.510 1.00 0.00 C ATOM 0 H LEU A 74 6.789 2.162 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 74 8.367 -0.070 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.013 -0.110 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.881 -1.503 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 74 5.255 0.457 1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.747 -1.450 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.864 -1.007 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.732 -2.435 0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.663 -1.053 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.773 -2.012 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.167 -0.323 2.738 1.00 0.00 H new ATOM 1143 N HIS A 75 9.637 -0.640 -0.990 1.00 0.00 N ATOM 1144 CA HIS A 75 10.589 -0.783 -2.078 1.00 0.00 C ATOM 1145 C HIS A 75 9.850 -1.177 -3.358 1.00 0.00 C ATOM 1146 O HIS A 75 8.724 -1.669 -3.303 1.00 0.00 O ATOM 1147 CB HIS A 75 11.696 -1.771 -1.704 1.00 0.00 C ATOM 1148 CG HIS A 75 13.085 -1.304 -2.069 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.732 -1.708 -3.224 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.942 -0.464 -1.421 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.924 -1.131 -3.259 1.00 0.00 C ATOM 1152 NE2 HIS A 75 15.053 -0.361 -2.141 1.00 0.00 N ATOM 0 H HIS A 75 9.709 -1.353 -0.264 1.00 0.00 H new ATOM 0 HA HIS A 75 11.081 0.172 -2.264 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.656 -1.956 -0.631 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.502 -2.723 -2.199 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.750 0.033 -0.482 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.664 -1.250 -4.037 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.868 0.201 -1.898 1.00 0.00 H new ATOM 1160 N GLY A 76 10.515 -0.947 -4.481 1.00 0.00 N ATOM 1161 CA GLY A 76 9.935 -1.272 -5.774 1.00 0.00 C ATOM 1162 C GLY A 76 10.023 -2.774 -6.052 1.00 0.00 C ATOM 1163 O GLY A 76 9.229 -3.314 -6.821 1.00 0.00 O ATOM 0 H GLY A 76 11.449 -0.540 -4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.893 -0.954 -5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.455 -0.722 -6.558 1.00 0.00 H new ATOM 1167 N ASN A 77 10.995 -3.406 -5.411 1.00 0.00 N ATOM 1168 CA ASN A 77 11.197 -4.835 -5.580 1.00 0.00 C ATOM 1169 C ASN A 77 10.345 -5.591 -4.558 1.00 0.00 C ATOM 1170 O ASN A 77 10.035 -6.765 -4.750 1.00 0.00 O ATOM 1171 CB ASN A 77 12.660 -5.216 -5.350 1.00 0.00 C ATOM 1172 CG ASN A 77 13.241 -5.929 -6.573 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.544 -6.266 -7.516 1.00 0.00 O ATOM 1174 ND2 ASN A 77 14.552 -6.138 -6.505 1.00 0.00 N ATOM 0 H ASN A 77 11.651 -2.955 -4.774 1.00 0.00 H new ATOM 0 HA ASN A 77 10.912 -5.097 -6.599 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.243 -4.320 -5.136 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.738 -5.863 -4.476 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.034 -6.606 -7.272 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.076 -5.830 -5.686 1.00 0.00 H new ATOM 1181 N VAL A 78 9.992 -4.885 -3.493 1.00 0.00 N ATOM 1182 CA VAL A 78 9.182 -5.474 -2.440 1.00 0.00 C ATOM 1183 C VAL A 78 7.916 -6.078 -3.053 1.00 0.00 C ATOM 1184 O VAL A 78 7.417 -5.587 -4.064 1.00 0.00 O ATOM 1185 CB VAL A 78 8.885 -4.430 -1.362 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.635 -4.807 -0.564 1.00 0.00 C ATOM 1187 CG2 VAL A 78 10.089 -4.239 -0.438 1.00 0.00 C ATOM 0 H VAL A 78 10.252 -3.911 -3.337 1.00 0.00 H new ATOM 0 HA VAL A 78 9.723 -6.283 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 78 8.691 -3.480 -1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.446 -4.049 0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.779 -4.869 -1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.788 -5.773 -0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.852 -3.492 0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.328 -5.185 0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.946 -3.904 -1.022 1.00 0.00 H new ATOM 1197 N THR A 79 7.434 -7.134 -2.415 1.00 0.00 N ATOM 1198 CA THR A 79 6.236 -7.809 -2.884 1.00 0.00 C ATOM 1199 C THR A 79 5.344 -8.196 -1.703 1.00 0.00 C ATOM 1200 O THR A 79 5.836 -8.658 -0.675 1.00 0.00 O ATOM 1201 CB THR A 79 6.670 -9.004 -3.735 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.432 -9.809 -2.840 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.668 -8.614 -4.827 1.00 0.00 C ATOM 0 H THR A 79 7.851 -7.539 -1.577 1.00 0.00 H new ATOM 0 HA THR A 79 5.629 -7.151 -3.506 1.00 0.00 H new ATOM 0 HB THR A 79 5.793 -9.461 -4.192 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.752 -10.608 -3.310 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.943 -9.499 -5.401 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.213 -7.878 -5.490 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.560 -8.187 -4.369 1.00 0.00 H new ATOM 1211 N LEU A 80 4.048 -7.993 -1.890 1.00 0.00 N ATOM 1212 CA LEU A 80 3.083 -8.314 -0.852 1.00 0.00 C ATOM 1213 C LEU A 80 3.490 -9.622 -0.171 1.00 0.00 C ATOM 1214 O LEU A 80 3.366 -9.758 1.045 1.00 0.00 O ATOM 1215 CB LEU A 80 1.665 -8.336 -1.427 1.00 0.00 C ATOM 1216 CG LEU A 80 1.027 -6.971 -1.691 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.230 -7.110 -2.552 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.745 -6.235 -0.379 1.00 0.00 C ATOM 0 H LEU A 80 3.644 -7.610 -2.745 1.00 0.00 H new ATOM 0 HA LEU A 80 3.079 -7.541 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.683 -8.894 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.024 -8.888 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 80 1.737 -6.365 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.664 -6.125 -2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.032 -7.564 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.955 -7.741 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.292 -5.268 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.063 -6.827 0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.679 -6.085 0.162 1.00 0.00 H new ATOM 1230 N GLY A 81 3.969 -10.552 -0.984 1.00 0.00 N ATOM 1231 CA GLY A 81 4.395 -11.844 -0.475 1.00 0.00 C ATOM 1232 C GLY A 81 5.425 -11.680 0.645 1.00 0.00 C ATOM 1233 O GLY A 81 5.299 -12.292 1.704 1.00 0.00 O ATOM 0 H GLY A 81 4.071 -10.436 -1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.531 -12.395 -0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.824 -12.434 -1.285 1.00 0.00 H new ATOM 1237 N ALA A 82 6.421 -10.850 0.371 1.00 0.00 N ATOM 1238 CA ALA A 82 7.472 -10.598 1.343 1.00 0.00 C ATOM 1239 C ALA A 82 6.887 -9.839 2.536 1.00 0.00 C ATOM 1240 O ALA A 82 7.438 -9.883 3.634 1.00 0.00 O ATOM 1241 CB ALA A 82 8.616 -9.835 0.671 1.00 0.00 C ATOM 0 H ALA A 82 6.523 -10.344 -0.509 1.00 0.00 H new ATOM 0 HA ALA A 82 7.881 -11.536 1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.404 -9.646 1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.016 -10.429 -0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.243 -8.886 0.285 1.00 0.00 H new ATOM 1247 N LEU A 83 5.778 -9.162 2.279 1.00 0.00 N ATOM 1248 CA LEU A 83 5.112 -8.395 3.318 1.00 0.00 C ATOM 1249 C LEU A 83 4.213 -9.325 4.135 1.00 0.00 C ATOM 1250 O LEU A 83 3.536 -8.883 5.062 1.00 0.00 O ATOM 1251 CB LEU A 83 4.372 -7.200 2.711 1.00 0.00 C ATOM 1252 CG LEU A 83 5.241 -6.176 1.979 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.384 -5.055 1.386 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.340 -5.634 2.894 1.00 0.00 C ATOM 0 H LEU A 83 5.324 -9.128 1.366 1.00 0.00 H new ATOM 0 HA LEU A 83 5.843 -7.971 4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.624 -7.577 2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.835 -6.687 3.509 1.00 0.00 H new ATOM 0 HG LEU A 83 5.735 -6.679 1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.026 -4.340 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.671 -5.478 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.844 -4.548 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.943 -4.908 2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.887 -5.152 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.974 -6.456 3.227 1.00 0.00 H new ATOM 1266 N LYS A 84 4.234 -10.595 3.760 1.00 0.00 N ATOM 1267 CA LYS A 84 3.429 -11.591 4.447 1.00 0.00 C ATOM 1268 C LYS A 84 2.147 -10.936 4.965 1.00 0.00 C ATOM 1269 O LYS A 84 1.723 -11.197 6.090 1.00 0.00 O ATOM 1270 CB LYS A 84 4.249 -12.285 5.537 1.00 0.00 C ATOM 1271 CG LYS A 84 4.975 -11.261 6.412 1.00 0.00 C ATOM 1272 CD LYS A 84 4.029 -10.665 7.457 1.00 0.00 C ATOM 1273 CE LYS A 84 4.809 -10.132 8.661 1.00 0.00 C ATOM 1274 NZ LYS A 84 3.883 -9.758 9.753 1.00 0.00 N ATOM 0 H LYS A 84 4.795 -10.958 2.990 1.00 0.00 H new ATOM 0 HA LYS A 84 3.128 -12.379 3.757 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.593 -12.898 6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.975 -12.957 5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.820 -11.737 6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.380 -10.465 5.787 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.448 -9.859 7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.319 -11.424 7.786 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.509 -10.890 9.013 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.400 -9.266 8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.428 -9.398 10.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.232 -9.019 9.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.337 -10.593 10.047 1.00 0.00 H new ATOM 1288 N LEU A 85 1.566 -10.097 4.120 1.00 0.00 N ATOM 1289 CA LEU A 85 0.342 -9.402 4.479 1.00 0.00 C ATOM 1290 C LEU A 85 -0.804 -10.412 4.571 1.00 0.00 C ATOM 1291 O LEU A 85 -0.798 -11.428 3.878 1.00 0.00 O ATOM 1292 CB LEU A 85 0.072 -8.253 3.504 1.00 0.00 C ATOM 1293 CG LEU A 85 0.050 -6.850 4.112 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.160 -6.685 5.152 1.00 0.00 C ATOM 1295 CD2 LEU A 85 0.122 -5.779 3.022 1.00 0.00 C ATOM 0 H LEU A 85 1.920 -9.883 3.188 1.00 0.00 H new ATOM 0 HA LEU A 85 0.440 -8.940 5.461 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.833 -8.278 2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.887 -8.432 3.019 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.899 -6.718 4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.122 -5.678 5.569 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.022 -7.414 5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.129 -6.845 4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.105 -4.791 3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.045 -5.899 2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.732 -5.883 2.353 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.785 -10.089 5.455 1.00 0.00 N ATOM 1308 CA PRO A 86 -2.936 -10.955 5.647 1.00 0.00 C ATOM 1309 C PRO A 86 -3.909 -10.842 4.472 1.00 0.00 C ATOM 1310 O PRO A 86 -4.253 -9.739 4.050 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.545 -10.515 6.968 1.00 0.00 C ATOM 1312 CG PRO A 86 -2.995 -9.123 7.236 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.826 -8.893 6.293 1.00 0.00 C ATOM 0 HA PRO A 86 -2.667 -12.011 5.681 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.633 -10.501 6.911 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.277 -11.202 7.770 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.767 -8.370 7.077 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.672 -9.034 8.273 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.972 -7.994 5.694 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.894 -8.762 6.842 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.327 -11.998 3.978 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.254 -12.043 2.860 1.00 0.00 C ATOM 1323 C PHE A 87 -6.685 -11.764 3.324 1.00 0.00 C ATOM 1324 O PHE A 87 -6.934 -11.597 4.517 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.185 -13.456 2.278 1.00 0.00 C ATOM 1326 CG PHE A 87 -3.814 -13.829 1.710 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.104 -12.917 0.994 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.307 -15.073 1.921 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -1.831 -13.264 0.468 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.034 -15.420 1.395 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.323 -14.507 0.679 1.00 0.00 C ATOM 0 H PHE A 87 -4.041 -12.911 4.332 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.985 -11.286 2.123 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.452 -14.172 3.056 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.931 -13.550 1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.508 -11.930 0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.872 -15.797 2.489 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.266 -12.540 -0.100 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.631 -16.408 1.563 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.355 -14.770 0.278 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.590 -11.724 2.356 1.00 0.00 N ATOM 1342 CA GLY A 88 -8.989 -11.468 2.650 1.00 0.00 C ATOM 1343 C GLY A 88 -9.138 -10.334 3.666 1.00 0.00 C ATOM 1344 O GLY A 88 -10.128 -10.274 4.394 1.00 0.00 O ATOM 0 H GLY A 88 -7.381 -11.865 1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.516 -11.209 1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.454 -12.374 3.040 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.140 -9.463 3.682 1.00 0.00 N ATOM 1349 CA LYS A 89 -8.148 -8.334 4.597 1.00 0.00 C ATOM 1350 C LYS A 89 -8.047 -7.034 3.797 1.00 0.00 C ATOM 1351 O LYS A 89 -7.953 -7.061 2.570 1.00 0.00 O ATOM 1352 CB LYS A 89 -7.052 -8.492 5.653 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.495 -9.446 6.764 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.721 -8.692 8.076 1.00 0.00 C ATOM 1355 CE LYS A 89 -7.181 -9.487 9.266 1.00 0.00 C ATOM 1356 NZ LYS A 89 -7.384 -8.738 10.526 1.00 0.00 N ATOM 0 H LYS A 89 -7.321 -9.516 3.077 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.087 -8.298 5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.143 -8.870 5.185 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.810 -7.519 6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.414 -9.952 6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.739 -10.217 6.909 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.229 -7.720 8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.786 -8.504 8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.685 -10.452 9.325 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.119 -9.690 9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.012 -9.292 11.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.883 -7.828 10.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.400 -8.567 10.668 1.00 0.00 H new ATOM 1370 N THR A 90 -8.069 -5.926 4.523 1.00 0.00 N ATOM 1371 CA THR A 90 -7.981 -4.618 3.896 1.00 0.00 C ATOM 1372 C THR A 90 -6.770 -3.851 4.429 1.00 0.00 C ATOM 1373 O THR A 90 -6.585 -3.740 5.640 1.00 0.00 O ATOM 1374 CB THR A 90 -9.309 -3.893 4.125 1.00 0.00 C ATOM 1375 OG1 THR A 90 -10.239 -4.607 3.316 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.313 -2.479 3.540 1.00 0.00 C ATOM 0 H THR A 90 -8.147 -5.907 5.540 1.00 0.00 H new ATOM 0 HA THR A 90 -7.823 -4.705 2.821 1.00 0.00 H new ATOM 0 HB THR A 90 -9.515 -3.843 5.194 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.128 -4.204 3.406 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.278 -2.009 3.730 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.524 -1.890 4.007 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.140 -2.529 2.465 1.00 0.00 H new ATOM 1384 N THR A 91 -5.975 -3.341 3.499 1.00 0.00 N ATOM 1385 CA THR A 91 -4.787 -2.588 3.861 1.00 0.00 C ATOM 1386 C THR A 91 -4.872 -1.162 3.312 1.00 0.00 C ATOM 1387 O THR A 91 -5.474 -0.931 2.265 1.00 0.00 O ATOM 1388 CB THR A 91 -3.566 -3.361 3.358 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.467 -4.470 4.247 1.00 0.00 O ATOM 1390 CG2 THR A 91 -2.259 -2.595 3.572 1.00 0.00 C ATOM 0 H THR A 91 -6.131 -3.435 2.495 1.00 0.00 H new ATOM 0 HA THR A 91 -4.700 -2.482 4.942 1.00 0.00 H new ATOM 0 HB THR A 91 -3.688 -3.582 2.298 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.701 -5.026 3.992 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.424 -3.188 3.198 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.301 -1.647 3.035 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.120 -2.403 4.636 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.259 -0.243 4.043 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.257 1.153 3.642 1.00 0.00 C ATOM 1400 C VAL A 92 -2.861 1.536 3.146 1.00 0.00 C ATOM 1401 O VAL A 92 -1.865 1.269 3.817 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.741 2.030 4.799 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.621 3.515 4.449 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -6.176 1.674 5.194 1.00 0.00 C ATOM 0 H VAL A 92 -3.760 -0.438 4.911 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.950 1.314 2.816 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.099 1.835 5.658 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.971 4.116 5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.579 3.756 4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.227 3.732 3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.495 2.312 6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.837 1.826 4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.219 0.630 5.505 1.00 0.00 H new ATOM 1414 N MET A 93 -2.833 2.154 1.975 1.00 0.00 N ATOM 1415 CA MET A 93 -1.576 2.576 1.381 1.00 0.00 C ATOM 1416 C MET A 93 -1.778 3.792 0.475 1.00 0.00 C ATOM 1417 O MET A 93 -2.772 3.876 -0.245 1.00 0.00 O ATOM 1418 CB MET A 93 -0.985 1.424 0.566 1.00 0.00 C ATOM 1419 CG MET A 93 -0.531 0.283 1.478 1.00 0.00 C ATOM 1420 SD MET A 93 0.847 -0.578 0.740 1.00 0.00 S ATOM 1421 CE MET A 93 0.953 -1.987 1.831 1.00 0.00 C ATOM 0 H MET A 93 -3.661 2.373 1.421 1.00 0.00 H new ATOM 0 HA MET A 93 -0.892 2.854 2.183 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.728 1.055 -0.141 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.139 1.785 -0.020 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.244 0.678 2.453 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.356 -0.410 1.645 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.993 -2.152 2.113 1.00 0.00 H new ATOM 0 HE2 MET A 93 0.360 -1.799 2.726 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.571 -2.871 1.321 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.820 4.704 0.540 1.00 0.00 N ATOM 1432 CA HIS A 94 -0.880 5.912 -0.266 1.00 0.00 C ATOM 1433 C HIS A 94 -0.007 5.743 -1.510 1.00 0.00 C ATOM 1434 O HIS A 94 1.220 5.740 -1.417 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.497 7.139 0.565 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.476 7.464 1.668 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -2.000 6.501 2.513 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.018 8.653 2.056 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -2.821 7.095 3.366 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -2.831 8.429 3.081 1.00 0.00 N ATOM 0 H HIS A 94 0.003 4.631 1.138 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.903 6.078 -0.603 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.487 6.975 1.004 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.412 8.001 -0.097 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.820 9.614 1.606 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.384 6.609 4.149 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -3.374 9.138 3.574 1.00 0.00 H new