USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 501 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 83 ASN :FLIP amide:sc= -3.83! C(o=-5!,f=-4!) USER MOD Set 1.2: A 84 ASN :FLIP amide:sc= -0.163 X(o=-4.2,f=-4) USER MOD Set 2.1: A 78 LYS NZ :NH3+ -115:sc= 0.23 (180deg=0) USER MOD Set 2.2: A 82 THR OG1 : rot 81:sc= 1.52 USER MOD Set 3.1: A 75 TYR OH : rot -152:sc= 0.524 USER MOD Set 3.2: A 87 HIS :FLIP no HE2:sc= 0.237 F(o=-0.99,f=0.76) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD Single : A 74 THR OG1 : rot 81:sc= 0.923 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -65:sc= 1.19 USER MOD Single : A 88 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.177) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.00613 USER MOD Single : A 96 SER OG : rot 79:sc= 0.564 USER MOD Single : A 99 ASN : amide:sc= 0.885 K(o=0.88,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 117 N ILE A 46 -4.064 -11.210 -3.830 1.00 0.00 N ATOM 118 CA ILE A 46 -3.056 -10.151 -3.896 1.00 0.00 C ATOM 119 C ILE A 46 -1.717 -10.606 -3.308 1.00 0.00 C ATOM 120 O ILE A 46 -0.668 -10.061 -3.655 1.00 0.00 O ATOM 121 CB ILE A 46 -3.520 -8.865 -3.175 1.00 0.00 C ATOM 122 CG1 ILE A 46 -3.829 -9.138 -1.698 1.00 0.00 C ATOM 123 CG2 ILE A 46 -4.736 -8.275 -3.875 1.00 0.00 C ATOM 124 CD1 ILE A 46 -4.049 -7.880 -0.888 1.00 0.00 C ATOM 0 HA ILE A 46 -2.920 -9.928 -4.954 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.706 -8.141 -3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.718 -9.765 -1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.006 -9.704 -1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.051 -7.370 -3.356 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.480 -8.031 -4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.549 -9.001 -3.865 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.263 -8.146 0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.152 -7.262 -0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.891 -7.324 -1.301 1.00 0.00 H new ATOM 136 N ALA A 47 -1.755 -11.606 -2.421 1.00 0.00 N ATOM 137 CA ALA A 47 -0.541 -12.129 -1.793 1.00 0.00 C ATOM 138 C ALA A 47 0.465 -12.621 -2.836 1.00 0.00 C ATOM 139 O ALA A 47 1.674 -12.587 -2.602 1.00 0.00 O ATOM 140 CB ALA A 47 -0.885 -13.253 -0.826 1.00 0.00 C ATOM 0 H ALA A 47 -2.614 -12.068 -2.123 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.078 -11.312 -1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.029 -13.631 -0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.551 -12.875 -0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.380 -14.060 -1.367 1.00 0.00 H new ATOM 146 N ASN A 48 -0.038 -13.069 -3.989 1.00 0.00 N ATOM 147 CA ASN A 48 0.823 -13.556 -5.067 1.00 0.00 C ATOM 148 C ASN A 48 1.405 -12.389 -5.863 1.00 0.00 C ATOM 149 O ASN A 48 2.497 -12.492 -6.423 1.00 0.00 O ATOM 150 CB ASN A 48 0.047 -14.490 -6.003 1.00 0.00 C ATOM 151 CG ASN A 48 -0.752 -15.545 -5.255 1.00 0.00 C ATOM 152 OD1 ASN A 48 -0.302 -16.080 -4.241 1.00 0.00 O ATOM 153 ND2 ASN A 48 -1.945 -15.852 -5.753 1.00 0.00 N ATOM 0 H ASN A 48 -1.036 -13.104 -4.199 1.00 0.00 H new ATOM 0 HA ASN A 48 1.642 -14.115 -4.614 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.630 -13.898 -6.620 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.746 -14.982 -6.679 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.524 -16.554 -5.293 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.281 -15.386 -6.595 1.00 0.00 H new ATOM 160 N PHE A 49 0.670 -11.277 -5.901 1.00 0.00 N ATOM 161 CA PHE A 49 1.110 -10.084 -6.615 1.00 0.00 C ATOM 162 C PHE A 49 2.346 -9.468 -5.952 1.00 0.00 C ATOM 163 O PHE A 49 3.198 -8.894 -6.631 1.00 0.00 O ATOM 164 CB PHE A 49 -0.023 -9.055 -6.674 1.00 0.00 C ATOM 165 CG PHE A 49 -0.513 -8.787 -8.069 1.00 0.00 C ATOM 166 CD1 PHE A 49 -1.446 -9.623 -8.663 1.00 0.00 C ATOM 167 CD2 PHE A 49 -0.037 -7.702 -8.787 1.00 0.00 C ATOM 168 CE1 PHE A 49 -1.890 -9.384 -9.948 1.00 0.00 C ATOM 169 CE2 PHE A 49 -0.480 -7.458 -10.072 1.00 0.00 C ATOM 170 CZ PHE A 49 -1.409 -8.299 -10.653 1.00 0.00 C ATOM 0 H PHE A 49 -0.236 -11.180 -5.443 1.00 0.00 H new ATOM 0 HA PHE A 49 1.379 -10.378 -7.630 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.856 -9.407 -6.066 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.322 -8.120 -6.232 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.830 -10.470 -8.114 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.688 -7.040 -8.337 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.613 -10.045 -10.402 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.100 -6.610 -10.622 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.758 -8.108 -11.657 1.00 0.00 H new ATOM 180 N LEU A 50 2.439 -9.595 -4.626 1.00 0.00 N ATOM 181 CA LEU A 50 3.574 -9.056 -3.879 1.00 0.00 C ATOM 182 C LEU A 50 4.730 -10.056 -3.850 1.00 0.00 C ATOM 183 O LEU A 50 4.512 -11.268 -3.808 1.00 0.00 O ATOM 184 CB LEU A 50 3.156 -8.704 -2.447 1.00 0.00 C ATOM 185 CG LEU A 50 2.432 -7.363 -2.289 1.00 0.00 C ATOM 186 CD1 LEU A 50 0.927 -7.574 -2.185 1.00 0.00 C ATOM 187 CD2 LEU A 50 2.954 -6.613 -1.070 1.00 0.00 C ATOM 0 H LEU A 50 1.742 -10.066 -4.050 1.00 0.00 H new ATOM 0 HA LEU A 50 3.909 -8.150 -4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.508 -9.495 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.046 -8.694 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 50 2.632 -6.760 -3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.431 -6.610 -2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.565 -8.066 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.706 -8.198 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.428 -5.663 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.787 -7.212 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.021 -6.426 -1.187 1.00 0.00 H new ATOM 199 N GLU A 51 5.959 -9.539 -3.870 1.00 0.00 N ATOM 200 CA GLU A 51 7.151 -10.387 -3.842 1.00 0.00 C ATOM 201 C GLU A 51 7.434 -10.883 -2.425 1.00 0.00 C ATOM 202 O GLU A 51 7.057 -10.234 -1.447 1.00 0.00 O ATOM 203 CB GLU A 51 8.367 -9.621 -4.375 1.00 0.00 C ATOM 204 CG GLU A 51 8.202 -9.129 -5.806 1.00 0.00 C ATOM 205 CD GLU A 51 7.919 -10.255 -6.785 1.00 0.00 C ATOM 206 OE1 GLU A 51 8.780 -11.151 -6.926 1.00 0.00 O ATOM 207 OE2 GLU A 51 6.837 -10.241 -7.408 1.00 0.00 O ATOM 0 H GLU A 51 6.155 -8.539 -3.905 1.00 0.00 H new ATOM 0 HA GLU A 51 6.964 -11.249 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.560 -8.766 -3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.244 -10.266 -4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.387 -8.406 -5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.108 -8.606 -6.113 1.00 0.00 H new ATOM 214 N PRO A 52 8.113 -12.043 -2.292 1.00 0.00 N ATOM 215 CA PRO A 52 8.452 -12.618 -0.983 1.00 0.00 C ATOM 216 C PRO A 52 9.310 -11.674 -0.142 1.00 0.00 C ATOM 217 O PRO A 52 9.090 -11.532 1.061 1.00 0.00 O ATOM 218 CB PRO A 52 9.233 -13.894 -1.328 1.00 0.00 C ATOM 219 CG PRO A 52 9.666 -13.719 -2.744 1.00 0.00 C ATOM 220 CD PRO A 52 8.609 -12.878 -3.401 1.00 0.00 C ATOM 0 HA PRO A 52 7.561 -12.807 -0.384 1.00 0.00 H new ATOM 0 HB2 PRO A 52 10.091 -14.021 -0.667 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.609 -14.780 -1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.640 -13.232 -2.797 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.764 -14.683 -3.244 1.00 0.00 H new ATOM 0 HD2 PRO A 52 9.019 -12.273 -4.209 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.816 -13.490 -3.831 1.00 0.00 H new ATOM 228 N GLN A 53 10.282 -11.023 -0.786 1.00 0.00 N ATOM 229 CA GLN A 53 11.164 -10.083 -0.096 1.00 0.00 C ATOM 230 C GLN A 53 10.390 -8.843 0.347 1.00 0.00 C ATOM 231 O GLN A 53 10.545 -8.377 1.477 1.00 0.00 O ATOM 232 CB GLN A 53 12.333 -9.676 -1.000 1.00 0.00 C ATOM 233 CG GLN A 53 13.577 -10.529 -0.810 1.00 0.00 C ATOM 234 CD GLN A 53 14.393 -10.108 0.398 1.00 0.00 C ATOM 235 OE1 GLN A 53 14.830 -8.962 0.496 1.00 0.00 O ATOM 236 NE2 GLN A 53 14.604 -11.034 1.328 1.00 0.00 N ATOM 0 H GLN A 53 10.477 -11.130 -1.782 1.00 0.00 H new ATOM 0 HA GLN A 53 11.562 -10.581 0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.015 -9.739 -2.041 1.00 0.00 H new ATOM 0 HB3 GLN A 53 12.585 -8.633 -0.806 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.284 -11.573 -0.700 1.00 0.00 H new ATOM 0 HG3 GLN A 53 14.198 -10.464 -1.704 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.224 -11.973 1.208 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.146 -10.806 2.161 1.00 0.00 H new ATOM 245 N ALA A 54 9.547 -8.320 -0.547 1.00 0.00 N ATOM 246 CA ALA A 54 8.739 -7.140 -0.245 1.00 0.00 C ATOM 247 C ALA A 54 7.741 -7.427 0.877 1.00 0.00 C ATOM 248 O ALA A 54 7.503 -6.576 1.736 1.00 0.00 O ATOM 249 CB ALA A 54 8.011 -6.658 -1.493 1.00 0.00 C ATOM 0 H ALA A 54 9.408 -8.696 -1.485 1.00 0.00 H new ATOM 0 HA ALA A 54 9.411 -6.351 0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.414 -5.779 -1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.739 -6.401 -2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.358 -7.449 -1.862 1.00 0.00 H new ATOM 255 N LEU A 55 7.163 -8.633 0.866 1.00 0.00 N ATOM 256 CA LEU A 55 6.195 -9.033 1.888 1.00 0.00 C ATOM 257 C LEU A 55 6.828 -9.003 3.281 1.00 0.00 C ATOM 258 O LEU A 55 6.200 -8.561 4.244 1.00 0.00 O ATOM 259 CB LEU A 55 5.645 -10.435 1.592 1.00 0.00 C ATOM 260 CG LEU A 55 4.127 -10.508 1.393 1.00 0.00 C ATOM 261 CD1 LEU A 55 3.732 -11.847 0.785 1.00 0.00 C ATOM 262 CD2 LEU A 55 3.402 -10.286 2.715 1.00 0.00 C ATOM 0 H LEU A 55 7.349 -9.346 0.161 1.00 0.00 H new ATOM 0 HA LEU A 55 5.371 -8.320 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.132 -10.818 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.921 -11.097 2.412 1.00 0.00 H new ATOM 0 HG LEU A 55 3.833 -9.717 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.651 -11.881 0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.221 -11.966 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.041 -12.654 1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.325 -10.341 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.702 -11.054 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.659 -9.303 3.111 1.00 0.00 H new ATOM 274 N GLU A 56 8.077 -9.467 3.377 1.00 0.00 N ATOM 275 CA GLU A 56 8.798 -9.483 4.650 1.00 0.00 C ATOM 276 C GLU A 56 8.956 -8.066 5.208 1.00 0.00 C ATOM 277 O GLU A 56 8.818 -7.848 6.413 1.00 0.00 O ATOM 278 CB GLU A 56 10.173 -10.137 4.478 1.00 0.00 C ATOM 279 CG GLU A 56 10.768 -10.657 5.780 1.00 0.00 C ATOM 280 CD GLU A 56 10.823 -12.173 5.838 1.00 0.00 C ATOM 281 OE1 GLU A 56 9.752 -12.811 5.752 1.00 0.00 O ATOM 282 OE2 GLU A 56 11.937 -12.721 5.973 1.00 0.00 O ATOM 0 H GLU A 56 8.608 -9.836 2.588 1.00 0.00 H new ATOM 0 HA GLU A 56 8.214 -10.069 5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.087 -10.963 3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.858 -9.412 4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.775 -10.257 5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.177 -10.287 6.618 1.00 0.00 H new ATOM 289 N ARG A 57 9.241 -7.107 4.323 1.00 0.00 N ATOM 290 CA ARG A 57 9.412 -5.714 4.723 1.00 0.00 C ATOM 291 C ARG A 57 8.105 -5.133 5.263 1.00 0.00 C ATOM 292 O ARG A 57 8.094 -4.483 6.310 1.00 0.00 O ATOM 293 CB ARG A 57 9.905 -4.880 3.536 1.00 0.00 C ATOM 294 CG ARG A 57 10.851 -3.759 3.929 1.00 0.00 C ATOM 295 CD ARG A 57 10.096 -2.571 4.501 1.00 0.00 C ATOM 296 NE ARG A 57 10.805 -1.964 5.627 1.00 0.00 N ATOM 297 CZ ARG A 57 10.627 -0.705 6.040 1.00 0.00 C ATOM 298 NH1 ARG A 57 9.752 0.092 5.430 1.00 0.00 N ATOM 299 NH2 ARG A 57 11.326 -0.244 7.071 1.00 0.00 N ATOM 0 H ARG A 57 9.358 -7.274 3.324 1.00 0.00 H new ATOM 0 HA ARG A 57 10.156 -5.679 5.519 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.409 -5.536 2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.044 -4.453 3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 57 11.566 -4.126 4.665 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.424 -3.442 3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.948 -1.825 3.720 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.106 -2.892 4.826 1.00 0.00 H new ATOM 0 HE ARG A 57 11.480 -2.539 6.131 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.210 -0.256 4.639 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.624 1.051 5.753 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.996 -0.850 7.545 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.193 0.716 7.389 1.00 0.00 H new ATOM 313 N LEU A 58 7.006 -5.374 4.544 1.00 0.00 N ATOM 314 CA LEU A 58 5.691 -4.876 4.953 1.00 0.00 C ATOM 315 C LEU A 58 5.320 -5.385 6.347 1.00 0.00 C ATOM 316 O LEU A 58 4.706 -4.664 7.133 1.00 0.00 O ATOM 317 CB LEU A 58 4.617 -5.289 3.940 1.00 0.00 C ATOM 318 CG LEU A 58 3.326 -4.464 3.986 1.00 0.00 C ATOM 319 CD1 LEU A 58 3.626 -2.979 3.831 1.00 0.00 C ATOM 320 CD2 LEU A 58 2.357 -4.929 2.906 1.00 0.00 C ATOM 0 H LEU A 58 7.001 -5.910 3.676 1.00 0.00 H new ATOM 0 HA LEU A 58 5.743 -3.788 4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.039 -5.218 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.366 -6.337 4.107 1.00 0.00 H new ATOM 0 HG LEU A 58 2.859 -4.616 4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.695 -2.414 3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.279 -2.653 4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.119 -2.805 2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.446 -4.332 2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.819 -4.809 1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.112 -5.979 3.065 1.00 0.00 H new ATOM 332 N SER A 59 5.706 -6.626 6.652 1.00 0.00 N ATOM 333 CA SER A 59 5.422 -7.218 7.958 1.00 0.00 C ATOM 334 C SER A 59 6.172 -6.473 9.065 1.00 0.00 C ATOM 335 O SER A 59 5.628 -6.244 10.146 1.00 0.00 O ATOM 336 CB SER A 59 5.803 -8.702 7.972 1.00 0.00 C ATOM 337 OG SER A 59 4.861 -9.478 7.251 1.00 0.00 O ATOM 0 H SER A 59 6.214 -7.238 6.013 1.00 0.00 H new ATOM 0 HA SER A 59 4.351 -7.130 8.143 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.794 -8.830 7.536 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.859 -9.056 9.001 1.00 0.00 H new ATOM 0 HG SER A 59 5.128 -10.421 7.274 1.00 0.00 H new ATOM 343 N ARG A 60 7.422 -6.092 8.783 1.00 0.00 N ATOM 344 CA ARG A 60 8.245 -5.368 9.751 1.00 0.00 C ATOM 345 C ARG A 60 7.668 -3.980 10.036 1.00 0.00 C ATOM 346 O ARG A 60 7.576 -3.568 11.194 1.00 0.00 O ATOM 347 CB ARG A 60 9.685 -5.242 9.242 1.00 0.00 C ATOM 348 CG ARG A 60 10.688 -4.887 10.332 1.00 0.00 C ATOM 349 CD ARG A 60 11.944 -5.741 10.243 1.00 0.00 C ATOM 350 NE ARG A 60 11.643 -7.174 10.289 1.00 0.00 N ATOM 351 CZ ARG A 60 12.483 -8.129 9.880 1.00 0.00 C ATOM 352 NH1 ARG A 60 13.692 -7.818 9.421 1.00 0.00 N ATOM 353 NH2 ARG A 60 12.114 -9.405 9.938 1.00 0.00 N ATOM 0 H ARG A 60 7.884 -6.274 7.892 1.00 0.00 H new ATOM 0 HA ARG A 60 8.245 -5.937 10.681 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.982 -6.183 8.779 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.721 -4.479 8.464 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.958 -3.834 10.249 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.225 -5.022 11.310 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.472 -5.512 9.317 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.614 -5.486 11.064 1.00 0.00 H new ATOM 0 HE ARG A 60 10.736 -7.460 10.656 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.986 -6.842 9.379 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.325 -8.555 9.111 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.191 -9.653 10.294 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.754 -10.136 9.626 1.00 0.00 H new ATOM 367 N VAL A 61 7.277 -3.264 8.978 1.00 0.00 N ATOM 368 CA VAL A 61 6.705 -1.926 9.127 1.00 0.00 C ATOM 369 C VAL A 61 5.332 -1.984 9.807 1.00 0.00 C ATOM 370 O VAL A 61 5.021 -1.143 10.650 1.00 0.00 O ATOM 371 CB VAL A 61 6.600 -1.176 7.774 1.00 0.00 C ATOM 372 CG1 VAL A 61 5.690 -1.905 6.797 1.00 0.00 C ATOM 373 CG2 VAL A 61 6.124 0.255 7.990 1.00 0.00 C ATOM 0 H VAL A 61 7.346 -3.588 8.013 1.00 0.00 H new ATOM 0 HA VAL A 61 7.390 -1.365 9.763 1.00 0.00 H new ATOM 0 HB VAL A 61 7.597 -1.148 7.334 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.642 -1.349 5.861 1.00 0.00 H new ATOM 0 HG12 VAL A 61 6.086 -2.903 6.607 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.690 -1.986 7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.057 0.765 7.029 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.143 0.244 8.465 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.831 0.781 8.631 1.00 0.00 H new ATOM 383 N ALA A 62 4.520 -2.983 9.440 1.00 0.00 N ATOM 384 CA ALA A 62 3.186 -3.150 10.024 1.00 0.00 C ATOM 385 C ALA A 62 3.254 -3.327 11.543 1.00 0.00 C ATOM 386 O ALA A 62 2.338 -2.922 12.261 1.00 0.00 O ATOM 387 CB ALA A 62 2.470 -4.339 9.396 1.00 0.00 C ATOM 0 H ALA A 62 4.764 -3.686 8.743 1.00 0.00 H new ATOM 0 HA ALA A 62 2.623 -2.241 9.813 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.482 -4.446 9.843 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.367 -4.177 8.323 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.048 -5.246 9.572 1.00 0.00 H new ATOM 393 N LEU A 63 4.343 -3.932 12.028 1.00 0.00 N ATOM 394 CA LEU A 63 4.527 -4.157 13.462 1.00 0.00 C ATOM 395 C LEU A 63 4.628 -2.833 14.217 1.00 0.00 C ATOM 396 O LEU A 63 4.150 -2.716 15.346 1.00 0.00 O ATOM 397 CB LEU A 63 5.787 -4.991 13.720 1.00 0.00 C ATOM 398 CG LEU A 63 5.680 -6.472 13.345 1.00 0.00 C ATOM 399 CD1 LEU A 63 7.064 -7.096 13.227 1.00 0.00 C ATOM 400 CD2 LEU A 63 4.837 -7.225 14.365 1.00 0.00 C ATOM 0 H LEU A 63 5.109 -4.274 11.448 1.00 0.00 H new ATOM 0 HA LEU A 63 3.655 -4.702 13.825 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.614 -4.551 13.163 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.040 -4.918 14.778 1.00 0.00 H new ATOM 0 HG LEU A 63 5.188 -6.545 12.375 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.967 -8.148 12.960 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.633 -6.577 12.456 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.584 -7.010 14.181 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.773 -8.275 14.080 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.298 -7.143 15.349 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.835 -6.796 14.397 1.00 0.00 H new ATOM 412 N VAL A 64 5.253 -1.842 13.586 1.00 0.00 N ATOM 413 CA VAL A 64 5.419 -0.527 14.196 1.00 0.00 C ATOM 414 C VAL A 64 4.266 0.403 13.815 1.00 0.00 C ATOM 415 O VAL A 64 3.664 1.042 14.679 1.00 0.00 O ATOM 416 CB VAL A 64 6.759 0.134 13.794 1.00 0.00 C ATOM 417 CG1 VAL A 64 7.344 0.897 14.971 1.00 0.00 C ATOM 418 CG2 VAL A 64 7.758 -0.897 13.280 1.00 0.00 C ATOM 0 H VAL A 64 5.653 -1.926 12.651 1.00 0.00 H new ATOM 0 HA VAL A 64 5.421 -0.683 15.275 1.00 0.00 H new ATOM 0 HB VAL A 64 6.557 0.833 12.983 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.287 1.357 14.674 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.645 1.672 15.286 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.520 0.210 15.799 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.688 -0.398 13.007 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.956 -1.632 14.060 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.345 -1.399 12.405 1.00 0.00 H new ATOM 428 N ARG A 65 3.962 0.469 12.518 1.00 0.00 N ATOM 429 CA ARG A 65 2.879 1.312 12.018 1.00 0.00 C ATOM 430 C ARG A 65 2.014 0.542 11.022 1.00 0.00 C ATOM 431 O ARG A 65 2.272 0.556 9.816 1.00 0.00 O ATOM 432 CB ARG A 65 3.441 2.576 11.362 1.00 0.00 C ATOM 433 CG ARG A 65 4.231 3.461 12.314 1.00 0.00 C ATOM 434 CD ARG A 65 5.710 3.478 11.958 1.00 0.00 C ATOM 435 NE ARG A 65 6.503 4.234 12.928 1.00 0.00 N ATOM 436 CZ ARG A 65 7.837 4.191 12.999 1.00 0.00 C ATOM 437 NH1 ARG A 65 8.535 3.427 12.161 1.00 0.00 N ATOM 438 NH2 ARG A 65 8.476 4.915 13.912 1.00 0.00 N ATOM 0 H ARG A 65 4.454 -0.054 11.793 1.00 0.00 H new ATOM 0 HA ARG A 65 2.257 1.605 12.864 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.084 2.288 10.530 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.617 3.154 10.943 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.836 4.476 12.282 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.105 3.102 13.336 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.081 2.455 11.906 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.839 3.914 10.967 1.00 0.00 H new ATOM 0 HE ARG A 65 6.007 4.830 13.591 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.052 2.868 11.458 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.553 3.400 12.223 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.948 5.503 14.558 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.494 4.883 13.967 1.00 0.00 H new ATOM 452 N ARG A 66 0.985 -0.132 11.539 1.00 0.00 N ATOM 453 CA ARG A 66 0.072 -0.912 10.703 1.00 0.00 C ATOM 454 C ARG A 66 -0.631 -0.030 9.667 1.00 0.00 C ATOM 455 O ARG A 66 -0.943 -0.490 8.568 1.00 0.00 O ATOM 456 CB ARG A 66 -0.971 -1.630 11.565 1.00 0.00 C ATOM 457 CG ARG A 66 -1.467 -2.934 10.958 1.00 0.00 C ATOM 458 CD ARG A 66 -2.824 -2.764 10.289 1.00 0.00 C ATOM 459 NE ARG A 66 -2.996 -3.674 9.155 1.00 0.00 N ATOM 460 CZ ARG A 66 -3.307 -4.971 9.272 1.00 0.00 C ATOM 461 NH1 ARG A 66 -3.468 -5.523 10.473 1.00 0.00 N ATOM 462 NH2 ARG A 66 -3.455 -5.717 8.181 1.00 0.00 N ATOM 0 H ARG A 66 0.763 -0.153 12.534 1.00 0.00 H new ATOM 0 HA ARG A 66 0.670 -1.654 10.173 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.541 -1.835 12.545 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.821 -0.965 11.722 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.743 -3.293 10.226 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.538 -3.694 11.736 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.613 -2.943 11.020 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.933 -1.735 9.947 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.871 -3.296 8.216 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.354 -4.957 11.314 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.705 -6.512 10.552 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.332 -5.301 7.258 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.692 -6.705 8.267 1.00 0.00 H new ATOM 476 N ASP A 67 -0.880 1.234 10.030 1.00 0.00 N ATOM 477 CA ASP A 67 -1.551 2.182 9.137 1.00 0.00 C ATOM 478 C ASP A 67 -0.830 2.296 7.794 1.00 0.00 C ATOM 479 O ASP A 67 -1.466 2.330 6.740 1.00 0.00 O ATOM 480 CB ASP A 67 -1.637 3.566 9.790 1.00 0.00 C ATOM 481 CG ASP A 67 -2.962 3.806 10.493 1.00 0.00 C ATOM 482 OD1 ASP A 67 -4.014 3.431 9.931 1.00 0.00 O ATOM 483 OD2 ASP A 67 -2.946 4.371 11.606 1.00 0.00 O ATOM 0 H ASP A 67 -0.626 1.623 10.938 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.556 1.802 8.956 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.825 3.674 10.509 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.492 4.332 9.028 1.00 0.00 H new ATOM 488 N ARG A 68 0.498 2.358 7.835 1.00 0.00 N ATOM 489 CA ARG A 68 1.295 2.467 6.617 1.00 0.00 C ATOM 490 C ARG A 68 1.168 1.200 5.773 1.00 0.00 C ATOM 491 O ARG A 68 0.926 1.271 4.568 1.00 0.00 O ATOM 492 CB ARG A 68 2.776 2.732 6.936 1.00 0.00 C ATOM 493 CG ARG A 68 3.031 3.468 8.247 1.00 0.00 C ATOM 494 CD ARG A 68 2.195 4.735 8.364 1.00 0.00 C ATOM 495 NE ARG A 68 2.718 5.643 9.385 1.00 0.00 N ATOM 496 CZ ARG A 68 2.370 6.928 9.493 1.00 0.00 C ATOM 497 NH1 ARG A 68 1.505 7.470 8.639 1.00 0.00 N ATOM 498 NH2 ARG A 68 2.891 7.675 10.460 1.00 0.00 N ATOM 0 H ARG A 68 1.044 2.335 8.696 1.00 0.00 H new ATOM 0 HA ARG A 68 0.909 3.314 6.050 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.302 1.778 6.964 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.210 3.312 6.121 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.805 2.807 9.083 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.088 3.724 8.319 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.173 5.246 7.401 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.166 4.470 8.607 1.00 0.00 H new ATOM 0 HE ARG A 68 3.390 5.272 10.056 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.101 6.903 7.893 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.246 8.452 8.730 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.555 7.267 11.118 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.627 8.657 10.545 1.00 0.00 H new ATOM 512 N ALA A 69 1.339 0.043 6.417 1.00 0.00 N ATOM 513 CA ALA A 69 1.255 -1.247 5.729 1.00 0.00 C ATOM 514 C ALA A 69 -0.131 -1.495 5.132 1.00 0.00 C ATOM 515 O ALA A 69 -0.244 -2.033 4.030 1.00 0.00 O ATOM 516 CB ALA A 69 1.623 -2.382 6.675 1.00 0.00 C ATOM 0 H ALA A 69 1.537 -0.027 7.415 1.00 0.00 H new ATOM 0 HA ALA A 69 1.969 -1.216 4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.555 -3.333 6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.642 -2.239 7.035 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.936 -2.387 7.521 1.00 0.00 H new ATOM 522 N GLN A 70 -1.183 -1.109 5.859 1.00 0.00 N ATOM 523 CA GLN A 70 -2.552 -1.306 5.382 1.00 0.00 C ATOM 524 C GLN A 70 -2.820 -0.473 4.134 1.00 0.00 C ATOM 525 O GLN A 70 -3.469 -0.938 3.200 1.00 0.00 O ATOM 526 CB GLN A 70 -3.582 -0.972 6.470 1.00 0.00 C ATOM 527 CG GLN A 70 -3.541 0.469 6.954 1.00 0.00 C ATOM 528 CD GLN A 70 -4.775 0.854 7.746 1.00 0.00 C ATOM 529 OE1 GLN A 70 -5.089 0.235 8.763 1.00 0.00 O ATOM 530 NE2 GLN A 70 -5.484 1.880 7.287 1.00 0.00 N ATOM 0 H GLN A 70 -1.113 -0.662 6.773 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.656 -2.361 5.128 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.580 -1.185 6.086 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.420 -1.633 7.321 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.656 0.615 7.574 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -3.443 1.134 6.096 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.189 2.366 6.440 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.323 2.182 7.782 1.00 0.00 H new ATOM 539 N ALA A 71 -2.305 0.756 4.122 1.00 0.00 N ATOM 540 CA ALA A 71 -2.484 1.647 2.982 1.00 0.00 C ATOM 541 C ALA A 71 -1.838 1.065 1.726 1.00 0.00 C ATOM 542 O ALA A 71 -2.359 1.235 0.625 1.00 0.00 O ATOM 543 CB ALA A 71 -1.919 3.025 3.291 1.00 0.00 C ATOM 0 H ALA A 71 -1.762 1.154 4.888 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.553 1.747 2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.061 3.678 2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.436 3.445 4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.855 2.941 3.511 1.00 0.00 H new ATOM 549 N VAL A 72 -0.711 0.366 1.894 1.00 0.00 N ATOM 550 CA VAL A 72 -0.020 -0.246 0.760 1.00 0.00 C ATOM 551 C VAL A 72 -0.842 -1.401 0.186 1.00 0.00 C ATOM 552 O VAL A 72 -1.043 -1.486 -1.026 1.00 0.00 O ATOM 553 CB VAL A 72 1.383 -0.773 1.140 1.00 0.00 C ATOM 554 CG1 VAL A 72 2.106 -1.291 -0.096 1.00 0.00 C ATOM 555 CG2 VAL A 72 2.205 0.308 1.829 1.00 0.00 C ATOM 0 H VAL A 72 -0.263 0.212 2.797 1.00 0.00 H new ATOM 0 HA VAL A 72 0.099 0.538 0.012 1.00 0.00 H new ATOM 0 HB VAL A 72 1.259 -1.597 1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.092 -1.659 0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.530 -2.102 -0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.214 -0.483 -0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.187 -0.090 2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.322 1.159 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.695 0.629 2.737 1.00 0.00 H new ATOM 565 N GLU A 73 -1.318 -2.285 1.066 1.00 0.00 N ATOM 566 CA GLU A 73 -2.120 -3.434 0.648 1.00 0.00 C ATOM 567 C GLU A 73 -3.476 -2.986 0.106 1.00 0.00 C ATOM 568 O GLU A 73 -3.926 -3.468 -0.934 1.00 0.00 O ATOM 569 CB GLU A 73 -2.311 -4.404 1.816 1.00 0.00 C ATOM 570 CG GLU A 73 -1.026 -5.115 2.223 1.00 0.00 C ATOM 571 CD GLU A 73 -1.083 -6.622 2.031 1.00 0.00 C ATOM 572 OE1 GLU A 73 -1.759 -7.084 1.088 1.00 0.00 O ATOM 573 OE2 GLU A 73 -0.441 -7.341 2.825 1.00 0.00 O ATOM 0 H GLU A 73 -1.161 -2.226 2.072 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.585 -3.947 -0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.703 -3.857 2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.059 -5.148 1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.197 -4.713 1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.815 -4.897 3.270 1.00 0.00 H new ATOM 580 N THR A 74 -4.116 -2.051 0.810 1.00 0.00 N ATOM 581 CA THR A 74 -5.415 -1.527 0.389 1.00 0.00 C ATOM 582 C THR A 74 -5.286 -0.768 -0.935 1.00 0.00 C ATOM 583 O THR A 74 -6.205 -0.776 -1.754 1.00 0.00 O ATOM 584 CB THR A 74 -6.005 -0.611 1.472 1.00 0.00 C ATOM 585 OG1 THR A 74 -6.156 -1.309 2.698 1.00 0.00 O ATOM 586 CG2 THR A 74 -7.358 -0.036 1.109 1.00 0.00 C ATOM 0 H THR A 74 -3.756 -1.642 1.672 1.00 0.00 H new ATOM 0 HA THR A 74 -6.091 -2.370 0.242 1.00 0.00 H new ATOM 0 HB THR A 74 -5.293 0.209 1.565 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.295 -1.339 3.166 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.712 0.600 1.920 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.270 0.554 0.197 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.067 -0.848 0.948 1.00 0.00 H new ATOM 594 N TYR A 75 -4.136 -0.123 -1.142 1.00 0.00 N ATOM 595 CA TYR A 75 -3.884 0.625 -2.366 1.00 0.00 C ATOM 596 C TYR A 75 -3.802 -0.323 -3.566 1.00 0.00 C ATOM 597 O TYR A 75 -4.421 -0.080 -4.604 1.00 0.00 O ATOM 598 CB TYR A 75 -2.589 1.435 -2.222 1.00 0.00 C ATOM 599 CG TYR A 75 -1.913 1.770 -3.530 1.00 0.00 C ATOM 600 CD1 TYR A 75 -2.429 2.743 -4.374 1.00 0.00 C ATOM 601 CD2 TYR A 75 -0.753 1.113 -3.916 1.00 0.00 C ATOM 602 CE1 TYR A 75 -1.809 3.053 -5.566 1.00 0.00 C ATOM 603 CE2 TYR A 75 -0.125 1.417 -5.105 1.00 0.00 C ATOM 604 CZ TYR A 75 -0.656 2.387 -5.929 1.00 0.00 C ATOM 605 OH TYR A 75 -0.030 2.695 -7.116 1.00 0.00 O ATOM 0 H TYR A 75 -3.366 -0.106 -0.474 1.00 0.00 H new ATOM 0 HA TYR A 75 -4.710 1.315 -2.538 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.812 2.362 -1.694 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.891 0.874 -1.600 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.331 3.266 -4.093 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.335 0.351 -3.274 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -2.223 3.813 -6.212 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.778 0.898 -5.390 1.00 0.00 H new ATOM 0 HH TYR A 75 0.455 1.909 -7.444 1.00 0.00 H new ATOM 615 N LEU A 76 -3.031 -1.403 -3.413 1.00 0.00 N ATOM 616 CA LEU A 76 -2.858 -2.390 -4.479 1.00 0.00 C ATOM 617 C LEU A 76 -4.178 -3.083 -4.822 1.00 0.00 C ATOM 618 O LEU A 76 -4.518 -3.228 -5.997 1.00 0.00 O ATOM 619 CB LEU A 76 -1.808 -3.431 -4.075 1.00 0.00 C ATOM 620 CG LEU A 76 -1.602 -4.575 -5.075 1.00 0.00 C ATOM 621 CD1 LEU A 76 -0.975 -4.057 -6.363 1.00 0.00 C ATOM 622 CD2 LEU A 76 -0.741 -5.672 -4.463 1.00 0.00 C ATOM 0 H LEU A 76 -2.516 -1.615 -2.558 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.515 -1.860 -5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.855 -2.923 -3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.094 -3.858 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.577 -4.998 -5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.837 -4.884 -7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.630 -3.310 -6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.008 -3.605 -6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.606 -6.475 -5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.231 -5.262 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.231 -6.065 -3.573 1.00 0.00 H new ATOM 634 N LYS A 77 -4.921 -3.509 -3.796 1.00 0.00 N ATOM 635 CA LYS A 77 -6.202 -4.185 -4.010 1.00 0.00 C ATOM 636 C LYS A 77 -7.199 -3.264 -4.719 1.00 0.00 C ATOM 637 O LYS A 77 -8.010 -3.725 -5.523 1.00 0.00 O ATOM 638 CB LYS A 77 -6.785 -4.700 -2.685 1.00 0.00 C ATOM 639 CG LYS A 77 -7.378 -3.617 -1.795 1.00 0.00 C ATOM 640 CD LYS A 77 -8.896 -3.703 -1.743 1.00 0.00 C ATOM 641 CE LYS A 77 -9.484 -2.616 -0.857 1.00 0.00 C ATOM 642 NZ LYS A 77 -10.968 -2.541 -0.975 1.00 0.00 N ATOM 0 H LYS A 77 -4.659 -3.398 -2.816 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.018 -5.045 -4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.558 -5.436 -2.904 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.000 -5.217 -2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.973 -3.711 -0.787 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.081 -2.637 -2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.302 -3.612 -2.751 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.194 -4.682 -1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.212 -2.808 0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.050 -1.654 -1.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.328 -1.788 -0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.228 -2.332 -1.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.385 -3.451 -0.692 1.00 0.00 H new ATOM 656 N LYS A 78 -7.127 -1.961 -4.427 1.00 0.00 N ATOM 657 CA LYS A 78 -8.018 -0.985 -5.051 1.00 0.00 C ATOM 658 C LYS A 78 -7.762 -0.906 -6.556 1.00 0.00 C ATOM 659 O LYS A 78 -8.701 -0.878 -7.349 1.00 0.00 O ATOM 660 CB LYS A 78 -7.836 0.396 -4.415 1.00 0.00 C ATOM 661 CG LYS A 78 -9.120 1.210 -4.352 1.00 0.00 C ATOM 662 CD LYS A 78 -8.896 2.648 -4.795 1.00 0.00 C ATOM 663 CE LYS A 78 -8.723 2.748 -6.304 1.00 0.00 C ATOM 664 NZ LYS A 78 -9.976 3.181 -6.988 1.00 0.00 N ATOM 0 H LYS A 78 -6.462 -1.562 -3.764 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.045 -1.312 -4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.443 0.273 -3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.090 0.953 -4.982 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.876 0.747 -4.986 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.508 1.199 -3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.742 3.261 -4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.012 3.049 -4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.925 3.455 -6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.412 1.780 -6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.322 2.413 -7.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.699 3.410 -6.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.782 4.022 -7.568 1.00 0.00 H new ATOM 678 N LEU A 79 -6.485 -0.876 -6.940 1.00 0.00 N ATOM 679 CA LEU A 79 -6.103 -0.807 -8.351 1.00 0.00 C ATOM 680 C LEU A 79 -6.490 -2.089 -9.086 1.00 0.00 C ATOM 681 O LEU A 79 -7.075 -2.033 -10.166 1.00 0.00 O ATOM 682 CB LEU A 79 -4.594 -0.570 -8.478 1.00 0.00 C ATOM 683 CG LEU A 79 -4.163 0.898 -8.558 1.00 0.00 C ATOM 684 CD1 LEU A 79 -4.516 1.635 -7.274 1.00 0.00 C ATOM 685 CD2 LEU A 79 -2.670 0.997 -8.838 1.00 0.00 C ATOM 0 H LEU A 79 -5.697 -0.898 -6.293 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.638 0.026 -8.807 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.098 -1.030 -7.624 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.236 -1.085 -9.370 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.702 1.370 -9.379 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.201 2.675 -7.353 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.594 1.593 -7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.007 1.165 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.379 2.046 -8.892 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.116 0.507 -8.037 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.444 0.509 -9.786 1.00 0.00 H new ATOM 697 N ILE A 80 -6.172 -3.243 -8.494 1.00 0.00 N ATOM 698 CA ILE A 80 -6.501 -4.531 -9.109 1.00 0.00 C ATOM 699 C ILE A 80 -8.015 -4.694 -9.253 1.00 0.00 C ATOM 700 O ILE A 80 -8.497 -5.181 -10.276 1.00 0.00 O ATOM 701 CB ILE A 80 -5.930 -5.723 -8.303 1.00 0.00 C ATOM 702 CG1 ILE A 80 -4.414 -5.577 -8.129 1.00 0.00 C ATOM 703 CG2 ILE A 80 -6.256 -7.040 -8.997 1.00 0.00 C ATOM 704 CD1 ILE A 80 -3.828 -6.508 -7.089 1.00 0.00 C ATOM 0 H ILE A 80 -5.691 -3.312 -7.597 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.039 -4.534 -10.096 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.394 -5.724 -7.317 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.928 -5.764 -9.086 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.187 -4.548 -7.852 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.847 -7.868 -8.417 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.337 -7.152 -9.076 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.817 -7.044 -9.995 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.752 -6.347 -7.022 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.286 -6.306 -6.121 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.023 -7.542 -7.375 1.00 0.00 H new ATOM 716 N ALA A 81 -8.759 -4.275 -8.225 1.00 0.00 N ATOM 717 CA ALA A 81 -10.219 -4.366 -8.244 1.00 0.00 C ATOM 718 C ALA A 81 -10.830 -3.357 -9.219 1.00 0.00 C ATOM 719 O ALA A 81 -11.878 -3.618 -9.810 1.00 0.00 O ATOM 720 CB ALA A 81 -10.786 -4.159 -6.846 1.00 0.00 C ATOM 0 H ALA A 81 -8.374 -3.870 -7.372 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.483 -5.366 -8.587 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.873 -4.230 -6.880 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.393 -4.925 -6.177 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.498 -3.174 -6.479 1.00 0.00 H new ATOM 726 N THR A 82 -10.173 -2.205 -9.383 1.00 0.00 N ATOM 727 CA THR A 82 -10.663 -1.170 -10.292 1.00 0.00 C ATOM 728 C THR A 82 -10.282 -1.500 -11.738 1.00 0.00 C ATOM 729 O THR A 82 -11.108 -2.002 -12.500 1.00 0.00 O ATOM 730 CB THR A 82 -10.115 0.211 -9.889 1.00 0.00 C ATOM 731 OG1 THR A 82 -10.492 0.538 -8.562 1.00 0.00 O ATOM 732 CG2 THR A 82 -10.592 1.334 -10.786 1.00 0.00 C ATOM 0 H THR A 82 -9.306 -1.968 -8.901 1.00 0.00 H new ATOM 0 HA THR A 82 -11.750 -1.140 -10.222 1.00 0.00 H new ATOM 0 HB THR A 82 -9.033 0.124 -9.984 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.893 0.087 -7.931 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.167 2.278 -10.444 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.272 1.142 -11.810 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.680 1.391 -10.750 1.00 0.00 H new ATOM 740 N ASN A 83 -9.028 -1.215 -12.109 1.00 0.00 N ATOM 741 CA ASN A 83 -8.540 -1.481 -13.467 1.00 0.00 C ATOM 742 C ASN A 83 -7.061 -1.094 -13.615 1.00 0.00 C ATOM 743 O ASN A 83 -6.649 -0.572 -14.653 1.00 0.00 O ATOM 744 CB ASN A 83 -9.385 -0.715 -14.503 1.00 0.00 C ATOM 745 CG ASN A 83 -9.871 0.634 -13.990 1.00 0.00 C ATOM 746 OD1 ASN A 83 -8.944 1.466 -13.519 1.00 0.00 O flip ATOM 747 ND2 ASN A 83 -11.066 0.925 -14.020 1.00 0.00 N flip ATOM 0 H ASN A 83 -8.333 -0.800 -11.488 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.634 -2.552 -13.647 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.794 -0.563 -15.406 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.245 -1.323 -14.784 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -11.744 0.258 -14.389 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -11.379 1.833 -13.676 1.00 0.00 H new ATOM 754 N ASN A 84 -6.266 -1.346 -12.571 1.00 0.00 N ATOM 755 CA ASN A 84 -4.841 -1.018 -12.588 1.00 0.00 C ATOM 756 C ASN A 84 -3.999 -2.244 -12.250 1.00 0.00 C ATOM 757 O ASN A 84 -3.031 -2.163 -11.490 1.00 0.00 O ATOM 758 CB ASN A 84 -4.544 0.109 -11.597 1.00 0.00 C ATOM 759 CG ASN A 84 -4.357 1.453 -12.276 1.00 0.00 C ATOM 760 OD1 ASN A 84 -5.272 1.800 -13.174 1.00 0.00 O flip ATOM 761 ND2 ASN A 84 -3.401 2.173 -11.993 1.00 0.00 N flip ATOM 0 H ASN A 84 -6.587 -1.776 -11.704 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.581 -0.686 -13.593 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.361 0.180 -10.879 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -3.644 -0.137 -11.033 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -2.721 1.868 -11.297 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.288 3.076 -12.454 1.00 0.00 H new ATOM 768 N VAL A 85 -4.372 -3.377 -12.830 1.00 0.00 N ATOM 769 CA VAL A 85 -3.654 -4.626 -12.607 1.00 0.00 C ATOM 770 C VAL A 85 -2.292 -4.581 -13.306 1.00 0.00 C ATOM 771 O VAL A 85 -2.006 -3.637 -14.045 1.00 0.00 O ATOM 772 CB VAL A 85 -4.474 -5.843 -13.111 1.00 0.00 C ATOM 773 CG1 VAL A 85 -3.962 -7.137 -12.497 1.00 0.00 C ATOM 774 CG2 VAL A 85 -5.955 -5.660 -12.796 1.00 0.00 C ATOM 0 H VAL A 85 -5.170 -3.457 -13.460 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.503 -4.743 -11.534 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.351 -5.905 -14.192 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.554 -7.974 -12.867 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.917 -7.282 -12.772 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.048 -7.084 -11.412 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.513 -6.524 -13.157 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.089 -5.566 -11.718 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.323 -4.759 -13.287 1.00 0.00 H new ATOM 784 N THR A 86 -1.456 -5.593 -13.055 1.00 0.00 N ATOM 785 CA THR A 86 -0.116 -5.681 -13.647 1.00 0.00 C ATOM 786 C THR A 86 0.847 -4.652 -13.030 1.00 0.00 C ATOM 787 O THR A 86 1.812 -4.229 -13.672 1.00 0.00 O ATOM 788 CB THR A 86 -0.172 -5.527 -15.183 1.00 0.00 C ATOM 789 OG1 THR A 86 -0.019 -4.174 -15.578 1.00 0.00 O ATOM 790 CG2 THR A 86 -1.460 -6.037 -15.800 1.00 0.00 C ATOM 0 H THR A 86 -1.687 -6.372 -12.438 1.00 0.00 H new ATOM 0 HA THR A 86 0.272 -6.674 -13.419 1.00 0.00 H new ATOM 0 HB THR A 86 0.656 -6.136 -15.546 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.786 -3.652 -15.261 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.427 -5.896 -16.880 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.576 -7.097 -15.576 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.305 -5.485 -15.388 1.00 0.00 H new ATOM 798 N HIS A 87 0.592 -4.268 -11.776 1.00 0.00 N ATOM 799 CA HIS A 87 1.447 -3.307 -11.075 1.00 0.00 C ATOM 800 C HIS A 87 2.611 -4.021 -10.395 1.00 0.00 C ATOM 801 O HIS A 87 3.772 -3.800 -10.742 1.00 0.00 O ATOM 802 CB HIS A 87 0.634 -2.520 -10.039 1.00 0.00 C ATOM 803 CG HIS A 87 1.380 -1.380 -9.407 1.00 0.00 C ATOM 804 ND1 HIS A 87 2.610 -1.323 -8.836 1.00 0.00 N flip ATOM 805 CD2 HIS A 87 0.853 -0.112 -9.298 1.00 0.00 C flip ATOM 806 CE1 HIS A 87 2.794 -0.036 -8.397 1.00 0.00 C flip ATOM 807 NE2 HIS A 87 1.721 0.674 -8.688 1.00 0.00 N flip ATOM 0 H HIS A 87 -0.198 -4.607 -11.227 1.00 0.00 H new ATOM 0 HA HIS A 87 1.848 -2.608 -11.810 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.264 -2.130 -10.518 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.306 -3.203 -9.256 1.00 0.00 H new ATOM 0 HD1 HIS A 87 3.273 -2.093 -8.749 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.119 0.192 -9.656 1.00 0.00 H new ATOM 0 HE1 HIS A 87 3.675 0.336 -7.895 1.00 0.00 H new ATOM 816 N LYS A 88 2.282 -4.878 -9.425 1.00 0.00 N ATOM 817 CA LYS A 88 3.281 -5.645 -8.677 1.00 0.00 C ATOM 818 C LYS A 88 4.133 -4.733 -7.793 1.00 0.00 C ATOM 819 O LYS A 88 4.884 -3.896 -8.294 1.00 0.00 O ATOM 820 CB LYS A 88 4.175 -6.441 -9.636 1.00 0.00 C ATOM 821 CG LYS A 88 3.853 -7.926 -9.670 1.00 0.00 C ATOM 822 CD LYS A 88 2.982 -8.285 -10.866 1.00 0.00 C ATOM 823 CE LYS A 88 2.225 -9.589 -10.643 1.00 0.00 C ATOM 824 NZ LYS A 88 3.101 -10.670 -10.102 1.00 0.00 N ATOM 0 H LYS A 88 1.320 -5.059 -9.137 1.00 0.00 H new ATOM 0 HA LYS A 88 2.749 -6.342 -8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.072 -6.032 -10.641 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.217 -6.309 -9.343 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.780 -8.499 -9.709 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.342 -8.209 -8.750 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.272 -7.480 -11.053 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.605 -8.374 -11.756 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.400 -9.414 -9.952 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.787 -9.918 -11.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.603 -11.581 -10.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.977 -10.720 -10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.335 -10.463 -9.110 1.00 0.00 H new ATOM 838 N ILE A 89 4.006 -4.897 -6.475 1.00 0.00 N ATOM 839 CA ILE A 89 4.763 -4.083 -5.524 1.00 0.00 C ATOM 840 C ILE A 89 6.032 -4.798 -5.065 1.00 0.00 C ATOM 841 O ILE A 89 5.970 -5.798 -4.346 1.00 0.00 O ATOM 842 CB ILE A 89 3.918 -3.709 -4.285 1.00 0.00 C ATOM 843 CG1 ILE A 89 2.555 -3.150 -4.711 1.00 0.00 C ATOM 844 CG2 ILE A 89 4.665 -2.699 -3.420 1.00 0.00 C ATOM 845 CD1 ILE A 89 1.601 -2.927 -3.557 1.00 0.00 C ATOM 0 H ILE A 89 3.388 -5.584 -6.043 1.00 0.00 H new ATOM 0 HA ILE A 89 5.035 -3.169 -6.052 1.00 0.00 H new ATOM 0 HB ILE A 89 3.748 -4.611 -3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.707 -2.205 -5.233 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.097 -3.837 -5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.058 -2.445 -2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.609 -3.131 -3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.862 -1.798 -4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.659 -2.531 -3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.418 -3.873 -3.048 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.038 -2.216 -2.856 1.00 0.00 H new ATOM 857 N THR A 90 7.181 -4.267 -5.481 1.00 0.00 N ATOM 858 CA THR A 90 8.478 -4.835 -5.115 1.00 0.00 C ATOM 859 C THR A 90 9.012 -4.175 -3.844 1.00 0.00 C ATOM 860 O THR A 90 8.408 -3.234 -3.327 1.00 0.00 O ATOM 861 CB THR A 90 9.479 -4.651 -6.261 1.00 0.00 C ATOM 862 OG1 THR A 90 9.860 -3.290 -6.383 1.00 0.00 O ATOM 863 CG2 THR A 90 8.944 -5.100 -7.606 1.00 0.00 C ATOM 0 H THR A 90 7.240 -3.440 -6.075 1.00 0.00 H new ATOM 0 HA THR A 90 8.347 -5.901 -4.926 1.00 0.00 H new ATOM 0 HB THR A 90 10.331 -5.279 -6.000 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.500 -3.194 -7.119 1.00 0.00 H new ATOM 0 HG21 THR A 90 9.704 -4.942 -8.371 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.689 -6.159 -7.561 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.053 -4.523 -7.854 1.00 0.00 H new ATOM 871 N GLU A 91 10.151 -4.666 -3.350 1.00 0.00 N ATOM 872 CA GLU A 91 10.765 -4.106 -2.143 1.00 0.00 C ATOM 873 C GLU A 91 11.001 -2.601 -2.297 1.00 0.00 C ATOM 874 O GLU A 91 10.761 -1.829 -1.369 1.00 0.00 O ATOM 875 CB GLU A 91 12.088 -4.814 -1.818 1.00 0.00 C ATOM 876 CG GLU A 91 13.059 -4.899 -2.991 1.00 0.00 C ATOM 877 CD GLU A 91 13.744 -6.251 -3.094 1.00 0.00 C ATOM 878 OE1 GLU A 91 13.039 -7.282 -3.058 1.00 0.00 O ATOM 879 OE2 GLU A 91 14.986 -6.277 -3.215 1.00 0.00 O ATOM 0 H GLU A 91 10.664 -5.445 -3.763 1.00 0.00 H new ATOM 0 HA GLU A 91 10.073 -4.268 -1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.575 -4.289 -0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.870 -5.823 -1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.520 -4.699 -3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.815 -4.121 -2.887 1.00 0.00 H new ATOM 886 N ALA A 92 11.461 -2.192 -3.480 1.00 0.00 N ATOM 887 CA ALA A 92 11.717 -0.779 -3.759 1.00 0.00 C ATOM 888 C ALA A 92 10.411 0.013 -3.855 1.00 0.00 C ATOM 889 O ALA A 92 10.328 1.152 -3.392 1.00 0.00 O ATOM 890 CB ALA A 92 12.527 -0.626 -5.040 1.00 0.00 C ATOM 0 H ALA A 92 11.664 -2.818 -4.259 1.00 0.00 H new ATOM 0 HA ALA A 92 12.295 -0.374 -2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.708 0.432 -5.232 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.480 -1.143 -4.932 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.973 -1.057 -5.874 1.00 0.00 H new ATOM 896 N GLU A 93 9.397 -0.599 -4.467 1.00 0.00 N ATOM 897 CA GLU A 93 8.093 0.040 -4.639 1.00 0.00 C ATOM 898 C GLU A 93 7.355 0.190 -3.307 1.00 0.00 C ATOM 899 O GLU A 93 6.756 1.232 -3.040 1.00 0.00 O ATOM 900 CB GLU A 93 7.237 -0.768 -5.617 1.00 0.00 C ATOM 901 CG GLU A 93 6.482 0.090 -6.622 1.00 0.00 C ATOM 902 CD GLU A 93 6.587 -0.428 -8.047 1.00 0.00 C ATOM 903 OE1 GLU A 93 6.694 -1.659 -8.232 1.00 0.00 O ATOM 904 OE2 GLU A 93 6.558 0.401 -8.980 1.00 0.00 O ATOM 0 H GLU A 93 9.455 -1.541 -4.853 1.00 0.00 H new ATOM 0 HA GLU A 93 8.266 1.038 -5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 93 7.878 -1.465 -6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.521 -1.365 -5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.431 0.135 -6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 93 6.868 1.109 -6.583 1.00 0.00 H new ATOM 911 N ILE A 94 7.395 -0.855 -2.479 1.00 0.00 N ATOM 912 CA ILE A 94 6.717 -0.833 -1.184 1.00 0.00 C ATOM 913 C ILE A 94 7.292 0.248 -0.264 1.00 0.00 C ATOM 914 O ILE A 94 6.545 0.900 0.469 1.00 0.00 O ATOM 915 CB ILE A 94 6.774 -2.213 -0.485 1.00 0.00 C ATOM 916 CG1 ILE A 94 5.923 -2.205 0.787 1.00 0.00 C ATOM 917 CG2 ILE A 94 8.208 -2.615 -0.170 1.00 0.00 C ATOM 918 CD1 ILE A 94 4.824 -3.245 0.783 1.00 0.00 C ATOM 0 H ILE A 94 7.888 -1.724 -2.682 1.00 0.00 H new ATOM 0 HA ILE A 94 5.672 -0.594 -1.382 1.00 0.00 H new ATOM 0 HB ILE A 94 6.365 -2.954 -1.172 1.00 0.00 H new ATOM 0 HG12 ILE A 94 6.569 -2.374 1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 94 5.478 -1.218 0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 94 8.214 -3.588 0.320 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.782 -2.671 -1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 94 8.657 -1.873 0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.261 -3.183 1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 94 4.155 -3.064 -0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.263 -4.238 0.690 1.00 0.00 H new ATOM 930 N VAL A 95 8.610 0.454 -0.317 1.00 0.00 N ATOM 931 CA VAL A 95 9.252 1.479 0.506 1.00 0.00 C ATOM 932 C VAL A 95 8.755 2.868 0.105 1.00 0.00 C ATOM 933 O VAL A 95 8.464 3.705 0.962 1.00 0.00 O ATOM 934 CB VAL A 95 10.795 1.433 0.391 1.00 0.00 C ATOM 935 CG1 VAL A 95 11.439 2.474 1.299 1.00 0.00 C ATOM 936 CG2 VAL A 95 11.318 0.041 0.722 1.00 0.00 C ATOM 0 H VAL A 95 9.248 -0.071 -0.916 1.00 0.00 H new ATOM 0 HA VAL A 95 8.984 1.274 1.542 1.00 0.00 H new ATOM 0 HB VAL A 95 11.063 1.666 -0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.523 2.422 1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.096 3.468 1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.159 2.277 2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 95 12.404 0.030 0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 95 11.033 -0.222 1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.891 -0.683 0.027 1.00 0.00 H new ATOM 946 N SER A 96 8.648 3.099 -1.205 1.00 0.00 N ATOM 947 CA SER A 96 8.174 4.378 -1.729 1.00 0.00 C ATOM 948 C SER A 96 6.731 4.645 -1.297 1.00 0.00 C ATOM 949 O SER A 96 6.400 5.757 -0.881 1.00 0.00 O ATOM 950 CB SER A 96 8.274 4.403 -3.258 1.00 0.00 C ATOM 951 OG SER A 96 9.543 3.943 -3.695 1.00 0.00 O ATOM 0 H SER A 96 8.884 2.414 -1.923 1.00 0.00 H new ATOM 0 HA SER A 96 8.809 5.163 -1.320 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.490 3.779 -3.687 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.107 5.418 -3.620 1.00 0.00 H new ATOM 0 HG SER A 96 9.567 2.964 -3.658 1.00 0.00 H new ATOM 957 N ILE A 97 5.879 3.620 -1.390 1.00 0.00 N ATOM 958 CA ILE A 97 4.475 3.755 -0.997 1.00 0.00 C ATOM 959 C ILE A 97 4.363 4.077 0.491 1.00 0.00 C ATOM 960 O ILE A 97 3.636 4.991 0.881 1.00 0.00 O ATOM 961 CB ILE A 97 3.654 2.479 -1.304 1.00 0.00 C ATOM 962 CG1 ILE A 97 3.818 2.068 -2.770 1.00 0.00 C ATOM 963 CG2 ILE A 97 2.180 2.704 -0.981 1.00 0.00 C ATOM 964 CD1 ILE A 97 3.775 0.570 -2.986 1.00 0.00 C ATOM 0 H ILE A 97 6.135 2.694 -1.732 1.00 0.00 H new ATOM 0 HA ILE A 97 4.063 4.574 -1.587 1.00 0.00 H new ATOM 0 HB ILE A 97 4.031 1.672 -0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.030 2.535 -3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.767 2.454 -3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.617 1.798 -1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.072 2.949 0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.797 3.526 -1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.897 0.352 -4.047 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.580 0.098 -2.423 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.816 0.180 -2.644 1.00 0.00 H new ATOM 976 N LEU A 98 5.095 3.327 1.317 1.00 0.00 N ATOM 977 CA LEU A 98 5.087 3.543 2.763 1.00 0.00 C ATOM 978 C LEU A 98 5.552 4.961 3.103 1.00 0.00 C ATOM 979 O LEU A 98 4.980 5.616 3.976 1.00 0.00 O ATOM 980 CB LEU A 98 5.983 2.518 3.463 1.00 0.00 C ATOM 981 CG LEU A 98 5.452 1.081 3.472 1.00 0.00 C ATOM 982 CD1 LEU A 98 6.601 0.085 3.550 1.00 0.00 C ATOM 983 CD2 LEU A 98 4.485 0.876 4.630 1.00 0.00 C ATOM 0 H LEU A 98 5.700 2.566 1.009 1.00 0.00 H new ATOM 0 HA LEU A 98 4.064 3.418 3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.960 2.524 2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.136 2.838 4.494 1.00 0.00 H new ATOM 0 HG LEU A 98 4.913 0.909 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.203 -0.930 3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.254 0.214 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.170 0.256 4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.118 -0.150 4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.999 1.069 5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.645 1.563 4.528 1.00 0.00 H new ATOM 995 N ASN A 99 6.590 5.429 2.401 1.00 0.00 N ATOM 996 CA ASN A 99 7.132 6.772 2.619 1.00 0.00 C ATOM 997 C ASN A 99 6.103 7.845 2.264 1.00 0.00 C ATOM 998 O ASN A 99 6.002 8.865 2.948 1.00 0.00 O ATOM 999 CB ASN A 99 8.403 6.979 1.792 1.00 0.00 C ATOM 1000 CG ASN A 99 9.661 6.670 2.582 1.00 0.00 C ATOM 1001 OD1 ASN A 99 10.327 7.574 3.086 1.00 0.00 O ATOM 1002 ND2 ASN A 99 9.991 5.389 2.696 1.00 0.00 N ATOM 0 H ASN A 99 7.071 4.896 1.677 1.00 0.00 H new ATOM 0 HA ASN A 99 7.376 6.864 3.677 1.00 0.00 H new ATOM 0 HB2 ASN A 99 8.366 6.342 0.908 1.00 0.00 H new ATOM 0 HB3 ASN A 99 8.441 8.010 1.441 1.00 0.00 H new ATOM 0 HD21 ASN A 99 10.826 5.122 3.218 1.00 0.00 H new ATOM 0 HD22 ASN A 99 9.410 4.672 2.262 1.00 0.00 H new ATOM 1009 N GLY A 100 5.331 7.601 1.204 1.00 0.00 N ATOM 1010 CA GLY A 100 4.310 8.547 0.791 1.00 0.00 C ATOM 1011 C GLY A 100 3.121 8.522 1.727 1.00 0.00 C ATOM 1012 O GLY A 100 2.589 9.569 2.099 1.00 0.00 O ATOM 0 H GLY A 100 5.397 6.764 0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 100 4.732 9.551 0.764 1.00 0.00 H new ATOM 0 HA3 GLY A 100 3.982 8.312 -0.222 1.00 0.00 H new ATOM 1016 N ILE A 101 2.723 7.313 2.120 1.00 0.00 N ATOM 1017 CA ILE A 101 1.607 7.119 3.038 1.00 0.00 C ATOM 1018 C ILE A 101 1.831 7.901 4.337 1.00 0.00 C ATOM 1019 O ILE A 101 0.898 8.496 4.882 1.00 0.00 O ATOM 1020 CB ILE A 101 1.418 5.613 3.349 1.00 0.00 C ATOM 1021 CG1 ILE A 101 0.664 4.928 2.204 1.00 0.00 C ATOM 1022 CG2 ILE A 101 0.689 5.411 4.670 1.00 0.00 C ATOM 1023 CD1 ILE A 101 0.879 3.429 2.139 1.00 0.00 C ATOM 0 H ILE A 101 3.164 6.446 1.812 1.00 0.00 H new ATOM 0 HA ILE A 101 0.703 7.495 2.559 1.00 0.00 H new ATOM 0 HB ILE A 101 2.404 5.157 3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -0.402 5.128 2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.977 5.372 1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.571 4.344 4.861 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.266 5.863 5.477 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.293 5.881 4.619 1.00 0.00 H new ATOM 0 HD11 ILE A 101 0.313 3.016 1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 101 1.939 3.219 1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 101 0.539 2.972 3.068 1.00 0.00 H new ATOM 1035 N ALA A 102 3.078 7.906 4.818 1.00 0.00 N ATOM 1036 CA ALA A 102 3.429 8.624 6.042 1.00 0.00 C ATOM 1037 C ALA A 102 3.275 10.133 5.855 1.00 0.00 C ATOM 1038 O ALA A 102 2.718 10.815 6.717 1.00 0.00 O ATOM 1039 CB ALA A 102 4.851 8.288 6.472 1.00 0.00 C ATOM 0 H ALA A 102 3.859 7.420 4.377 1.00 0.00 H new ATOM 0 HA ALA A 102 2.743 8.305 6.826 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.093 8.832 7.385 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.932 7.217 6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.547 8.574 5.683 1.00 0.00 H new ATOM 1045 N LYS A 103 3.767 10.646 4.723 1.00 0.00 N ATOM 1046 CA LYS A 103 3.677 12.078 4.422 1.00 0.00 C ATOM 1047 C LYS A 103 2.220 12.546 4.408 1.00 0.00 C ATOM 1048 O LYS A 103 1.921 13.668 4.821 1.00 0.00 O ATOM 1049 CB LYS A 103 4.339 12.393 3.076 1.00 0.00 C ATOM 1050 CG LYS A 103 5.842 12.617 3.170 1.00 0.00 C ATOM 1051 CD LYS A 103 6.599 11.791 2.139 1.00 0.00 C ATOM 1052 CE LYS A 103 7.052 12.640 0.957 1.00 0.00 C ATOM 1053 NZ LYS A 103 8.472 13.077 1.087 1.00 0.00 N ATOM 0 H LYS A 103 4.230 10.093 4.002 1.00 0.00 H new ATOM 0 HA LYS A 103 4.206 12.615 5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 103 4.146 11.572 2.385 1.00 0.00 H new ATOM 0 HB3 LYS A 103 3.874 13.283 2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.062 13.674 3.023 1.00 0.00 H new ATOM 0 HG3 LYS A 103 6.187 12.356 4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 103 7.467 11.330 2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 103 5.962 10.982 1.782 1.00 0.00 H new ATOM 0 HE2 LYS A 103 6.932 12.070 0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 103 6.410 13.517 0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 8.736 13.651 0.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 8.583 13.643 1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.089 12.241 1.139 1.00 0.00 H new ATOM 1067 N GLN A 104 1.318 11.680 3.937 1.00 0.00 N ATOM 1068 CA GLN A 104 -0.108 12.004 3.879 1.00 0.00 C ATOM 1069 C GLN A 104 -0.659 12.320 5.273 1.00 0.00 C ATOM 1070 O GLN A 104 -1.466 13.237 5.435 1.00 0.00 O ATOM 1071 CB GLN A 104 -0.896 10.845 3.261 1.00 0.00 C ATOM 1072 CG GLN A 104 -0.597 10.616 1.786 1.00 0.00 C ATOM 1073 CD GLN A 104 -1.235 9.349 1.245 1.00 0.00 C ATOM 1074 OE1 GLN A 104 -0.553 8.489 0.687 1.00 0.00 O ATOM 1075 NE2 GLN A 104 -2.550 9.226 1.404 1.00 0.00 N ATOM 0 H GLN A 104 1.551 10.749 3.591 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.223 12.889 3.253 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -0.674 9.932 3.813 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -1.962 11.038 3.380 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -0.953 11.471 1.211 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.482 10.563 1.643 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -3.078 9.962 1.872 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -3.030 8.395 1.058 1.00 0.00 H new