USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 603 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 68 ASN : amide:sc= -2.26 K(o=-6.1,f=-22!) USER MOD Set 1.2: A 71 ASN : amide:sc= -3.82 K(o=-6.1,f=-6.6!) USER MOD Set 2.1: A 21 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 48 TYR OH : rot 178:sc= 0.413 USER MOD Single : A 10 ASN : amide:sc= -0.0262 X(o=-0.026,f=-0.51) USER MOD Single : A 11 THR OG1 : rot 101:sc= 0.447 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -154:sc= -0.0923 (180deg=-0.777) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 92:sc= 0.935 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 19:sc= 1.02 USER MOD Single : A 44 TYR OH : rot 44:sc= 0.0158 USER MOD Single : A 45 TYR OH : rot 59:sc= 0.0119 USER MOD Single : A 47 HIS : no HE2:sc= -0.547 K(o=-0.55,f=-2.6!) USER MOD Single : A 52 SER OG : rot 29:sc= 0.346! USER MOD Single : A 53 LYS NZ :NH3+ 162:sc= -0.0549 (180deg=-0.517) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 163:sc= -0.0119 (180deg=-0.401) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 81 GLN : amide:sc= -0.589 X(o=-0.59,f=-0.13) USER MOD Single : A 82 CYS SG : rot -24:sc= 0.0136 USER MOD ----------------------------------------------------------------- ATOM 113 N ALA A 9 -12.170 -12.821 4.357 1.00 1.00 N ATOM 114 CA ALA A 9 -11.458 -11.610 4.794 1.00 1.00 C ATOM 115 C ALA A 9 -12.406 -10.395 4.858 1.00 1.00 C ATOM 116 O ALA A 9 -12.744 -9.809 3.830 1.00 1.00 O ATOM 117 CB ALA A 9 -10.286 -11.316 3.836 1.00 1.00 C ATOM 0 HA ALA A 9 -11.071 -11.788 5.797 1.00 1.00 H new ATOM 0 HB1 ALA A 9 -9.763 -10.418 4.165 1.00 1.00 H new ATOM 0 HB2 ALA A 9 -9.595 -12.159 3.837 1.00 1.00 H new ATOM 0 HB3 ALA A 9 -10.670 -11.163 2.827 1.00 1.00 H new ATOM 123 N ASN A 10 -12.825 -10.024 6.062 1.00 1.00 N ATOM 124 CA ASN A 10 -13.734 -8.887 6.257 1.00 1.00 C ATOM 125 C ASN A 10 -13.079 -7.593 5.773 1.00 1.00 C ATOM 126 O ASN A 10 -13.744 -6.688 5.270 1.00 1.00 O ATOM 127 CB ASN A 10 -14.108 -8.768 7.747 1.00 1.00 C ATOM 128 CG ASN A 10 -14.749 -10.066 8.235 1.00 1.00 C ATOM 129 OD1 ASN A 10 -15.537 -10.678 7.514 1.00 1.00 O ATOM 130 ND2 ASN A 10 -14.459 -10.520 9.422 1.00 1.00 N ATOM 0 H ASN A 10 -12.551 -10.493 6.926 1.00 1.00 H new ATOM 0 HA ASN A 10 -14.640 -9.055 5.674 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -13.218 -8.549 8.337 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -14.798 -7.936 7.891 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -14.885 -11.384 9.756 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -13.806 -10.011 10.017 1.00 1.00 H new ATOM 137 N THR A 11 -11.762 -7.508 5.927 1.00 1.00 N ATOM 138 CA THR A 11 -11.015 -6.319 5.501 1.00 1.00 C ATOM 139 C THR A 11 -11.144 -6.124 3.988 1.00 1.00 C ATOM 140 O THR A 11 -11.450 -7.056 3.244 1.00 1.00 O ATOM 141 CB THR A 11 -9.530 -6.475 5.883 1.00 1.00 C ATOM 142 OG1 THR A 11 -8.996 -7.607 5.210 1.00 1.00 O ATOM 143 CG2 THR A 11 -9.391 -6.672 7.403 1.00 1.00 C ATOM 0 H THR A 11 -11.187 -8.242 6.341 1.00 1.00 H new ATOM 0 HA THR A 11 -11.428 -5.444 6.003 1.00 1.00 H new ATOM 0 HB THR A 11 -8.987 -5.576 5.592 1.00 1.00 H new ATOM 0 HG1 THR A 11 -8.480 -7.311 4.431 1.00 1.00 H new ATOM 0 HG21 THR A 11 -8.338 -6.781 7.661 1.00 1.00 H new ATOM 0 HG22 THR A 11 -9.804 -5.807 7.921 1.00 1.00 H new ATOM 0 HG23 THR A 11 -9.933 -7.568 7.705 1.00 1.00 H new ATOM 151 N LEU A 12 -10.907 -4.896 3.534 1.00 1.00 N ATOM 152 CA LEU A 12 -11.010 -4.561 2.101 1.00 1.00 C ATOM 153 C LEU A 12 -9.705 -4.926 1.383 1.00 1.00 C ATOM 154 O LEU A 12 -9.628 -4.872 0.156 1.00 1.00 O ATOM 155 CB LEU A 12 -11.324 -3.039 1.945 1.00 1.00 C ATOM 156 CG LEU A 12 -12.840 -2.736 2.182 1.00 1.00 C ATOM 157 CD1 LEU A 12 -13.292 -3.205 3.589 1.00 1.00 C ATOM 158 CD2 LEU A 12 -13.093 -1.217 2.023 1.00 1.00 C ATOM 0 H LEU A 12 -10.642 -4.112 4.130 1.00 1.00 H new ATOM 0 HA LEU A 12 -11.819 -5.134 1.648 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -10.723 -2.469 2.654 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -11.038 -2.709 0.946 1.00 1.00 H new ATOM 0 HG LEU A 12 -13.422 -3.285 1.442 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -14.350 -2.981 3.725 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -13.134 -4.279 3.683 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -12.711 -2.685 4.350 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -14.149 -1.005 2.188 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -12.495 -0.670 2.752 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -12.813 -0.905 1.017 1.00 1.00 H new ATOM 170 N PHE A 13 -8.678 -5.297 2.141 1.00 1.00 N ATOM 171 CA PHE A 13 -7.356 -5.675 1.586 1.00 1.00 C ATOM 172 C PHE A 13 -7.121 -7.190 1.734 1.00 1.00 C ATOM 173 O PHE A 13 -7.437 -7.795 2.759 1.00 1.00 O ATOM 174 CB PHE A 13 -6.260 -4.895 2.339 1.00 1.00 C ATOM 175 CG PHE A 13 -6.490 -3.388 2.134 1.00 1.00 C ATOM 176 CD1 PHE A 13 -5.976 -2.746 0.990 1.00 1.00 C ATOM 177 CD2 PHE A 13 -7.235 -2.642 3.071 1.00 1.00 C ATOM 178 CE1 PHE A 13 -6.199 -1.376 0.793 1.00 1.00 C ATOM 179 CE2 PHE A 13 -7.456 -1.276 2.865 1.00 1.00 C ATOM 180 CZ PHE A 13 -6.938 -0.643 1.729 1.00 1.00 C ATOM 0 H PHE A 13 -8.725 -5.348 3.159 1.00 1.00 H new ATOM 0 HA PHE A 13 -7.325 -5.428 0.525 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -6.286 -5.139 3.401 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -5.274 -5.179 1.970 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -5.409 -3.310 0.264 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -7.636 -3.126 3.949 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -5.800 -0.885 -0.082 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -8.028 -0.708 3.584 1.00 1.00 H new ATOM 0 HZ PHE A 13 -7.109 0.412 1.575 1.00 1.00 H new ATOM 190 N VAL A 14 -6.546 -7.786 0.694 1.00 1.00 N ATOM 191 CA VAL A 14 -6.258 -9.248 0.667 1.00 1.00 C ATOM 192 C VAL A 14 -4.780 -9.491 0.354 1.00 1.00 C ATOM 193 O VAL A 14 -4.171 -8.766 -0.433 1.00 1.00 O ATOM 194 CB VAL A 14 -7.152 -9.930 -0.405 1.00 1.00 C ATOM 195 CG1 VAL A 14 -6.955 -11.470 -0.388 1.00 1.00 C ATOM 196 CG2 VAL A 14 -8.638 -9.595 -0.126 1.00 1.00 C ATOM 0 H VAL A 14 -6.263 -7.292 -0.152 1.00 1.00 H new ATOM 0 HA VAL A 14 -6.478 -9.676 1.645 1.00 1.00 H new ATOM 0 HB VAL A 14 -6.865 -9.555 -1.387 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -7.591 -11.927 -1.147 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -5.912 -11.706 -0.599 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -7.224 -11.860 0.594 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -9.266 -10.073 -0.878 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -8.914 -9.960 0.863 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -8.781 -8.515 -0.167 1.00 1.00 H new ATOM 206 N ASP A 15 -4.207 -10.517 0.973 1.00 1.00 N ATOM 207 CA ASP A 15 -2.803 -10.869 0.774 1.00 1.00 C ATOM 208 C ASP A 15 -2.488 -11.147 -0.710 1.00 1.00 C ATOM 209 O ASP A 15 -3.254 -11.791 -1.428 1.00 1.00 O ATOM 210 CB ASP A 15 -2.471 -12.115 1.625 1.00 1.00 C ATOM 211 CG ASP A 15 -3.327 -13.313 1.195 1.00 1.00 C ATOM 212 OD1 ASP A 15 -4.524 -13.135 1.043 1.00 1.00 O ATOM 213 OD2 ASP A 15 -2.774 -14.388 1.029 1.00 1.00 O ATOM 0 H ASP A 15 -4.699 -11.127 1.625 1.00 1.00 H new ATOM 0 HA ASP A 15 -2.189 -10.024 1.086 1.00 1.00 H new ATOM 0 HB2 ASP A 15 -1.414 -12.361 1.520 1.00 1.00 H new ATOM 0 HB3 ASP A 15 -2.645 -11.898 2.679 1.00 1.00 H new ATOM 218 N GLY A 16 -1.338 -10.666 -1.167 1.00 1.00 N ATOM 219 CA GLY A 16 -0.901 -10.860 -2.564 1.00 1.00 C ATOM 220 C GLY A 16 -1.408 -9.732 -3.458 1.00 1.00 C ATOM 221 O GLY A 16 -1.038 -9.654 -4.630 1.00 1.00 O ATOM 0 H GLY A 16 -0.681 -10.135 -0.595 1.00 1.00 H new ATOM 0 HA2 GLY A 16 0.187 -10.901 -2.606 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -1.270 -11.816 -2.935 1.00 1.00 H new ATOM 225 N GLU A 17 -2.242 -8.861 -2.899 1.00 1.00 N ATOM 226 CA GLU A 17 -2.818 -7.726 -3.643 1.00 1.00 C ATOM 227 C GLU A 17 -1.800 -6.585 -3.777 1.00 1.00 C ATOM 228 O GLU A 17 -1.122 -6.220 -2.815 1.00 1.00 O ATOM 229 CB GLU A 17 -4.079 -7.220 -2.902 1.00 1.00 C ATOM 230 CG GLU A 17 -4.804 -6.114 -3.717 1.00 1.00 C ATOM 231 CD GLU A 17 -6.092 -5.665 -3.016 1.00 1.00 C ATOM 232 OE1 GLU A 17 -6.269 -5.985 -1.850 1.00 1.00 O ATOM 233 OE2 GLU A 17 -6.883 -4.995 -3.661 1.00 1.00 O ATOM 0 H GLU A 17 -2.541 -8.913 -1.925 1.00 1.00 H new ATOM 0 HA GLU A 17 -3.085 -8.062 -4.645 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -4.760 -8.053 -2.728 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -3.797 -6.829 -1.924 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -4.140 -5.259 -3.846 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -5.040 -6.488 -4.713 1.00 1.00 H new ATOM 240 N ARG A 18 -1.705 -6.016 -4.973 1.00 1.00 N ATOM 241 CA ARG A 18 -0.786 -4.898 -5.240 1.00 1.00 C ATOM 242 C ARG A 18 -1.458 -3.580 -4.827 1.00 1.00 C ATOM 243 O ARG A 18 -2.575 -3.277 -5.247 1.00 1.00 O ATOM 244 CB ARG A 18 -0.427 -4.877 -6.746 1.00 1.00 C ATOM 245 CG ARG A 18 0.617 -3.768 -7.056 1.00 1.00 C ATOM 246 CD ARG A 18 1.058 -3.843 -8.534 1.00 1.00 C ATOM 247 NE ARG A 18 1.761 -5.107 -8.780 1.00 1.00 N ATOM 248 CZ ARG A 18 2.228 -5.442 -9.990 1.00 1.00 C ATOM 249 NH1 ARG A 18 2.067 -4.642 -11.011 1.00 1.00 N ATOM 250 NH2 ARG A 18 2.852 -6.576 -10.150 1.00 1.00 N ATOM 0 H ARG A 18 -2.253 -6.307 -5.782 1.00 1.00 H new ATOM 0 HA ARG A 18 0.131 -5.022 -4.663 1.00 1.00 H new ATOM 0 HB2 ARG A 18 -0.030 -5.848 -7.042 1.00 1.00 H new ATOM 0 HB3 ARG A 18 -1.328 -4.708 -7.336 1.00 1.00 H new ATOM 0 HG2 ARG A 18 0.189 -2.788 -6.847 1.00 1.00 H new ATOM 0 HG3 ARG A 18 1.484 -3.883 -6.405 1.00 1.00 H new ATOM 0 HD2 ARG A 18 0.188 -3.767 -9.187 1.00 1.00 H new ATOM 0 HD3 ARG A 18 1.709 -3.002 -8.772 1.00 1.00 H new ATOM 0 HE ARG A 18 1.899 -5.753 -8.003 1.00 1.00 H new ATOM 0 HH11 ARG A 18 1.582 -3.753 -10.891 1.00 1.00 H new ATOM 0 HH12 ARG A 18 2.427 -4.907 -11.928 1.00 1.00 H new ATOM 0 HH21 ARG A 18 2.982 -7.203 -9.356 1.00 1.00 H new ATOM 0 HH22 ARG A 18 3.210 -6.836 -11.069 1.00 1.00 H new ATOM 264 N VAL A 19 -0.779 -2.785 -4.007 1.00 1.00 N ATOM 265 CA VAL A 19 -1.309 -1.484 -3.522 1.00 1.00 C ATOM 266 C VAL A 19 -0.248 -0.400 -3.633 1.00 1.00 C ATOM 267 O VAL A 19 0.895 -0.644 -4.019 1.00 1.00 O ATOM 268 CB VAL A 19 -1.779 -1.611 -2.043 1.00 1.00 C ATOM 269 CG1 VAL A 19 -2.885 -2.686 -1.944 1.00 1.00 C ATOM 270 CG2 VAL A 19 -0.579 -1.986 -1.116 1.00 1.00 C ATOM 0 H VAL A 19 0.151 -3.009 -3.653 1.00 1.00 H new ATOM 0 HA VAL A 19 -2.160 -1.208 -4.145 1.00 1.00 H new ATOM 0 HB VAL A 19 -2.177 -0.651 -1.714 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -3.214 -2.775 -0.909 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -3.730 -2.398 -2.570 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -2.492 -3.644 -2.284 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -0.927 -2.070 -0.086 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -0.156 -2.939 -1.435 1.00 1.00 H new ATOM 0 HG23 VAL A 19 0.185 -1.211 -1.178 1.00 1.00 H new ATOM 280 N LEU A 20 -0.638 0.819 -3.277 1.00 1.00 N ATOM 281 CA LEU A 20 0.269 1.982 -3.321 1.00 1.00 C ATOM 282 C LEU A 20 0.495 2.535 -1.902 1.00 1.00 C ATOM 283 O LEU A 20 -0.403 2.556 -1.058 1.00 1.00 O ATOM 284 CB LEU A 20 -0.358 3.064 -4.226 1.00 1.00 C ATOM 285 CG LEU A 20 -0.693 2.495 -5.644 1.00 1.00 C ATOM 286 CD1 LEU A 20 -1.375 3.596 -6.486 1.00 1.00 C ATOM 287 CD2 LEU A 20 0.587 1.991 -6.380 1.00 1.00 C ATOM 0 H LEU A 20 -1.580 1.038 -2.952 1.00 1.00 H new ATOM 0 HA LEU A 20 1.236 1.681 -3.725 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.267 3.448 -3.762 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.330 3.904 -4.322 1.00 1.00 H new ATOM 0 HG LEU A 20 -1.363 1.644 -5.519 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -1.610 3.204 -7.475 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.294 3.914 -5.994 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -0.702 4.448 -6.584 1.00 1.00 H new ATOM 0 HD21 LEU A 20 0.314 1.603 -7.361 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.288 2.818 -6.499 1.00 1.00 H new ATOM 0 HD23 LEU A 20 1.055 1.200 -5.795 1.00 1.00 H new ATOM 299 N CYS A 21 1.713 3.006 -1.653 1.00 1.00 N ATOM 300 CA CYS A 21 2.090 3.569 -0.327 1.00 1.00 C ATOM 301 C CYS A 21 2.669 4.974 -0.483 1.00 1.00 C ATOM 302 O CYS A 21 3.742 5.156 -1.057 1.00 1.00 O ATOM 303 CB CYS A 21 3.134 2.649 0.332 1.00 1.00 C ATOM 304 SG CYS A 21 3.518 3.254 1.995 1.00 1.00 S ATOM 0 H CYS A 21 2.467 3.016 -2.340 1.00 1.00 H new ATOM 0 HA CYS A 21 1.199 3.631 0.298 1.00 1.00 H new ATOM 0 HB2 CYS A 21 2.753 1.629 0.385 1.00 1.00 H new ATOM 0 HB3 CYS A 21 4.040 2.619 -0.273 1.00 1.00 H new ATOM 0 HG CYS A 21 4.398 2.473 2.548 1.00 1.00 H new ATOM 310 N PHE A 22 1.950 5.973 0.016 1.00 1.00 N ATOM 311 CA PHE A 22 2.399 7.377 -0.070 1.00 1.00 C ATOM 312 C PHE A 22 3.170 7.771 1.189 1.00 1.00 C ATOM 313 O PHE A 22 2.915 7.266 2.283 1.00 1.00 O ATOM 314 CB PHE A 22 1.188 8.311 -0.277 1.00 1.00 C ATOM 315 CG PHE A 22 0.260 8.295 0.952 1.00 1.00 C ATOM 316 CD1 PHE A 22 0.480 9.201 2.012 1.00 1.00 C ATOM 317 CD2 PHE A 22 -0.813 7.387 1.031 1.00 1.00 C ATOM 318 CE1 PHE A 22 -0.362 9.196 3.130 1.00 1.00 C ATOM 319 CE2 PHE A 22 -1.654 7.388 2.154 1.00 1.00 C ATOM 320 CZ PHE A 22 -1.428 8.293 3.201 1.00 1.00 C ATOM 0 H PHE A 22 1.053 5.847 0.486 1.00 1.00 H new ATOM 0 HA PHE A 22 3.067 7.477 -0.925 1.00 1.00 H new ATOM 0 HB2 PHE A 22 1.536 9.328 -0.461 1.00 1.00 H new ATOM 0 HB3 PHE A 22 0.631 8.000 -1.161 1.00 1.00 H new ATOM 0 HD1 PHE A 22 1.301 9.901 1.960 1.00 1.00 H new ATOM 0 HD2 PHE A 22 -0.989 6.689 0.226 1.00 1.00 H new ATOM 0 HE1 PHE A 22 -0.188 9.890 3.939 1.00 1.00 H new ATOM 0 HE2 PHE A 22 -2.477 6.691 2.212 1.00 1.00 H new ATOM 0 HZ PHE A 22 -2.078 8.293 4.064 1.00 1.00 H new ATOM 330 N HIS A 23 4.131 8.677 1.040 1.00 1.00 N ATOM 331 CA HIS A 23 4.962 9.160 2.161 1.00 1.00 C ATOM 332 C HIS A 23 4.709 10.651 2.395 1.00 1.00 C ATOM 333 O HIS A 23 4.798 11.123 3.529 1.00 1.00 O ATOM 334 CB HIS A 23 6.459 8.917 1.837 1.00 1.00 C ATOM 335 CG HIS A 23 7.321 9.302 3.018 1.00 1.00 C ATOM 336 ND1 HIS A 23 7.187 8.688 4.255 1.00 1.00 N ATOM 337 CD2 HIS A 23 8.309 10.243 3.173 1.00 1.00 C ATOM 338 CE1 HIS A 23 8.068 9.266 5.093 1.00 1.00 C ATOM 339 NE2 HIS A 23 8.777 10.218 4.484 1.00 1.00 N ATOM 0 H HIS A 23 4.363 9.103 0.143 1.00 1.00 H new ATOM 0 HA HIS A 23 4.698 8.615 3.067 1.00 1.00 H new ATOM 0 HB2 HIS A 23 6.619 7.868 1.588 1.00 1.00 H new ATOM 0 HB3 HIS A 23 6.748 9.499 0.962 1.00 1.00 H new ATOM 0 HD2 HIS A 23 8.668 10.902 2.396 1.00 1.00 H new ATOM 0 HE1 HIS A 23 8.186 8.993 6.131 1.00 1.00 H new ATOM 0 HE2 HIS A 23 9.506 10.803 4.892 1.00 1.00 H new ATOM 348 N GLY A 24 4.404 11.391 1.333 1.00 1.00 N ATOM 349 CA GLY A 24 4.147 12.838 1.410 1.00 1.00 C ATOM 350 C GLY A 24 4.467 13.514 0.060 1.00 1.00 C ATOM 351 O GLY A 24 3.561 14.000 -0.616 1.00 1.00 O ATOM 0 H GLY A 24 4.326 11.010 0.390 1.00 1.00 H new ATOM 0 HA2 GLY A 24 3.104 13.015 1.674 1.00 1.00 H new ATOM 0 HA3 GLY A 24 4.756 13.280 2.199 1.00 1.00 H new ATOM 355 N PRO A 25 5.714 13.573 -0.322 1.00 1.00 N ATOM 356 CA PRO A 25 6.115 14.239 -1.620 1.00 1.00 C ATOM 357 C PRO A 25 5.507 13.559 -2.877 1.00 1.00 C ATOM 358 O PRO A 25 5.074 14.245 -3.803 1.00 1.00 O ATOM 359 CB PRO A 25 7.672 14.169 -1.584 1.00 1.00 C ATOM 360 CG PRO A 25 7.958 12.968 -0.725 1.00 1.00 C ATOM 361 CD PRO A 25 6.912 13.050 0.395 1.00 1.00 C ATOM 0 HA PRO A 25 5.737 15.258 -1.699 1.00 1.00 H new ATOM 0 HB2 PRO A 25 8.090 14.054 -2.584 1.00 1.00 H new ATOM 0 HB3 PRO A 25 8.103 15.076 -1.160 1.00 1.00 H new ATOM 0 HG2 PRO A 25 7.864 12.041 -1.291 1.00 1.00 H new ATOM 0 HG3 PRO A 25 8.972 12.996 -0.326 1.00 1.00 H new ATOM 0 HD2 PRO A 25 6.722 12.076 0.846 1.00 1.00 H new ATOM 0 HD3 PRO A 25 7.228 13.716 1.198 1.00 1.00 H new ATOM 369 N LEU A 26 5.469 12.230 -2.902 1.00 1.00 N ATOM 370 CA LEU A 26 4.911 11.489 -4.071 1.00 1.00 C ATOM 371 C LEU A 26 4.423 10.095 -3.654 1.00 1.00 C ATOM 372 O LEU A 26 4.799 9.576 -2.603 1.00 1.00 O ATOM 373 CB LEU A 26 6.011 11.353 -5.201 1.00 1.00 C ATOM 374 CG LEU A 26 5.388 11.462 -6.653 1.00 1.00 C ATOM 375 CD1 LEU A 26 5.192 12.951 -7.052 1.00 1.00 C ATOM 376 CD2 LEU A 26 6.304 10.778 -7.705 1.00 1.00 C ATOM 0 H LEU A 26 5.808 11.635 -2.146 1.00 1.00 H new ATOM 0 HA LEU A 26 4.061 12.052 -4.457 1.00 1.00 H new ATOM 0 HB2 LEU A 26 6.763 12.131 -5.070 1.00 1.00 H new ATOM 0 HB3 LEU A 26 6.521 10.396 -5.097 1.00 1.00 H new ATOM 0 HG LEU A 26 4.423 10.956 -6.634 1.00 1.00 H new ATOM 0 HD11 LEU A 26 4.763 13.006 -8.053 1.00 1.00 H new ATOM 0 HD12 LEU A 26 4.520 13.432 -6.342 1.00 1.00 H new ATOM 0 HD13 LEU A 26 6.156 13.460 -7.042 1.00 1.00 H new ATOM 0 HD21 LEU A 26 5.853 10.867 -8.693 1.00 1.00 H new ATOM 0 HD22 LEU A 26 7.281 11.262 -7.707 1.00 1.00 H new ATOM 0 HD23 LEU A 26 6.422 9.724 -7.454 1.00 1.00 H new ATOM 388 N ILE A 27 3.605 9.489 -4.509 1.00 1.00 N ATOM 389 CA ILE A 27 3.061 8.143 -4.266 1.00 1.00 C ATOM 390 C ILE A 27 4.061 7.094 -4.768 1.00 1.00 C ATOM 391 O ILE A 27 4.578 7.194 -5.881 1.00 1.00 O ATOM 392 CB ILE A 27 1.689 7.990 -4.992 1.00 1.00 C ATOM 393 CG1 ILE A 27 0.710 9.097 -4.481 1.00 1.00 C ATOM 394 CG2 ILE A 27 1.079 6.583 -4.707 1.00 1.00 C ATOM 395 CD1 ILE A 27 -0.579 9.122 -5.318 1.00 1.00 C ATOM 0 H ILE A 27 3.298 9.908 -5.387 1.00 1.00 H new ATOM 0 HA ILE A 27 2.903 7.995 -3.198 1.00 1.00 H new ATOM 0 HB ILE A 27 1.841 8.096 -6.066 1.00 1.00 H new ATOM 0 HG12 ILE A 27 0.465 8.916 -3.435 1.00 1.00 H new ATOM 0 HG13 ILE A 27 1.198 10.070 -4.530 1.00 1.00 H new ATOM 0 HG21 ILE A 27 0.122 6.491 -5.220 1.00 1.00 H new ATOM 0 HG22 ILE A 27 1.760 5.812 -5.067 1.00 1.00 H new ATOM 0 HG23 ILE A 27 0.929 6.462 -3.634 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -1.242 9.901 -4.941 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -0.333 9.328 -6.360 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -1.078 8.155 -5.247 1.00 1.00 H new ATOM 407 N TYR A 28 4.314 6.077 -3.949 1.00 1.00 N ATOM 408 CA TYR A 28 5.256 4.984 -4.286 1.00 1.00 C ATOM 409 C TYR A 28 4.516 3.655 -4.400 1.00 1.00 C ATOM 410 O TYR A 28 3.435 3.470 -3.841 1.00 1.00 O ATOM 411 CB TYR A 28 6.337 4.901 -3.188 1.00 1.00 C ATOM 412 CG TYR A 28 7.088 6.239 -3.130 1.00 1.00 C ATOM 413 CD1 TYR A 28 8.202 6.461 -3.965 1.00 1.00 C ATOM 414 CD2 TYR A 28 6.662 7.265 -2.260 1.00 1.00 C ATOM 415 CE1 TYR A 28 8.880 7.687 -3.926 1.00 1.00 C ATOM 416 CE2 TYR A 28 7.347 8.487 -2.226 1.00 1.00 C ATOM 417 CZ TYR A 28 8.453 8.696 -3.057 1.00 1.00 C ATOM 418 OH TYR A 28 9.123 9.901 -3.021 1.00 1.00 O ATOM 0 H TYR A 28 3.879 5.976 -3.032 1.00 1.00 H new ATOM 0 HA TYR A 28 5.724 5.193 -5.248 1.00 1.00 H new ATOM 0 HB2 TYR A 28 5.879 4.683 -2.223 1.00 1.00 H new ATOM 0 HB3 TYR A 28 7.031 4.088 -3.402 1.00 1.00 H new ATOM 0 HD1 TYR A 28 8.534 5.684 -4.637 1.00 1.00 H new ATOM 0 HD2 TYR A 28 5.807 7.108 -1.619 1.00 1.00 H new ATOM 0 HE1 TYR A 28 9.733 7.853 -4.568 1.00 1.00 H new ATOM 0 HE2 TYR A 28 7.020 9.269 -1.557 1.00 1.00 H new ATOM 0 HH TYR A 28 9.509 10.087 -3.902 1.00 1.00 H new ATOM 428 N GLU A 29 5.109 2.717 -5.133 1.00 1.00 N ATOM 429 CA GLU A 29 4.511 1.390 -5.348 1.00 1.00 C ATOM 430 C GLU A 29 4.930 0.416 -4.239 1.00 1.00 C ATOM 431 O GLU A 29 6.081 0.392 -3.801 1.00 1.00 O ATOM 432 CB GLU A 29 4.964 0.852 -6.726 1.00 1.00 C ATOM 433 CG GLU A 29 4.237 -0.473 -7.078 1.00 1.00 C ATOM 434 CD GLU A 29 4.637 -0.962 -8.476 1.00 1.00 C ATOM 435 OE1 GLU A 29 5.617 -0.468 -9.014 1.00 1.00 O ATOM 436 OE2 GLU A 29 3.947 -1.827 -8.993 1.00 1.00 O ATOM 0 H GLU A 29 6.010 2.847 -5.594 1.00 1.00 H new ATOM 0 HA GLU A 29 3.425 1.480 -5.324 1.00 1.00 H new ATOM 0 HB2 GLU A 29 4.760 1.597 -7.495 1.00 1.00 H new ATOM 0 HB3 GLU A 29 6.042 0.688 -6.719 1.00 1.00 H new ATOM 0 HG2 GLU A 29 4.482 -1.235 -6.338 1.00 1.00 H new ATOM 0 HG3 GLU A 29 3.158 -0.323 -7.036 1.00 1.00 H new ATOM 443 N ALA A 30 3.982 -0.409 -3.807 1.00 1.00 N ATOM 444 CA ALA A 30 4.222 -1.401 -2.752 1.00 1.00 C ATOM 445 C ALA A 30 3.256 -2.567 -2.920 1.00 1.00 C ATOM 446 O ALA A 30 2.373 -2.545 -3.776 1.00 1.00 O ATOM 447 CB ALA A 30 4.036 -0.745 -1.374 1.00 1.00 C ATOM 0 H ALA A 30 3.030 -0.413 -4.172 1.00 1.00 H new ATOM 0 HA ALA A 30 5.243 -1.776 -2.827 1.00 1.00 H new ATOM 0 HB1 ALA A 30 4.215 -1.483 -0.592 1.00 1.00 H new ATOM 0 HB2 ALA A 30 4.743 0.078 -1.264 1.00 1.00 H new ATOM 0 HB3 ALA A 30 3.019 -0.364 -1.287 1.00 1.00 H new ATOM 453 N LYS A 31 3.413 -3.609 -2.110 1.00 1.00 N ATOM 454 CA LYS A 31 2.539 -4.800 -2.181 1.00 1.00 C ATOM 455 C LYS A 31 2.205 -5.318 -0.777 1.00 1.00 C ATOM 456 O LYS A 31 2.927 -5.097 0.194 1.00 1.00 O ATOM 457 CB LYS A 31 3.245 -5.891 -3.028 1.00 1.00 C ATOM 458 CG LYS A 31 2.301 -7.135 -3.337 1.00 1.00 C ATOM 459 CD LYS A 31 2.608 -8.361 -2.406 1.00 1.00 C ATOM 460 CE LYS A 31 3.822 -9.171 -2.918 1.00 1.00 C ATOM 461 NZ LYS A 31 3.500 -9.745 -4.255 1.00 1.00 N ATOM 0 H LYS A 31 4.135 -3.663 -1.392 1.00 1.00 H new ATOM 0 HA LYS A 31 1.596 -4.531 -2.657 1.00 1.00 H new ATOM 0 HB2 LYS A 31 3.582 -5.454 -3.968 1.00 1.00 H new ATOM 0 HB3 LYS A 31 4.134 -6.237 -2.500 1.00 1.00 H new ATOM 0 HG2 LYS A 31 1.260 -6.838 -3.212 1.00 1.00 H new ATOM 0 HG3 LYS A 31 2.425 -7.432 -4.378 1.00 1.00 H new ATOM 0 HD2 LYS A 31 2.805 -8.010 -1.393 1.00 1.00 H new ATOM 0 HD3 LYS A 31 1.733 -9.008 -2.355 1.00 1.00 H new ATOM 0 HE2 LYS A 31 4.700 -8.529 -2.987 1.00 1.00 H new ATOM 0 HE3 LYS A 31 4.065 -9.968 -2.216 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 4.068 -10.602 -4.411 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 2.489 -9.987 -4.295 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 3.718 -9.047 -4.994 1.00 1.00 H new ATOM 475 N VAL A 32 1.079 -6.019 -0.677 1.00 1.00 N ATOM 476 CA VAL A 32 0.609 -6.591 0.608 1.00 1.00 C ATOM 477 C VAL A 32 1.066 -8.047 0.719 1.00 1.00 C ATOM 478 O VAL A 32 0.510 -8.922 0.053 1.00 1.00 O ATOM 479 CB VAL A 32 -0.952 -6.530 0.687 1.00 1.00 C ATOM 480 CG1 VAL A 32 -1.444 -6.974 2.090 1.00 1.00 C ATOM 481 CG2 VAL A 32 -1.437 -5.088 0.416 1.00 1.00 C ATOM 0 H VAL A 32 0.464 -6.212 -1.467 1.00 1.00 H new ATOM 0 HA VAL A 32 1.031 -6.010 1.428 1.00 1.00 H new ATOM 0 HB VAL A 32 -1.359 -7.205 -0.066 1.00 1.00 H new ATOM 0 HG11 VAL A 32 -2.532 -6.925 2.126 1.00 1.00 H new ATOM 0 HG12 VAL A 32 -1.120 -7.997 2.282 1.00 1.00 H new ATOM 0 HG13 VAL A 32 -1.026 -6.312 2.848 1.00 1.00 H new ATOM 0 HG21 VAL A 32 -2.525 -5.053 0.473 1.00 1.00 H new ATOM 0 HG22 VAL A 32 -1.013 -4.415 1.162 1.00 1.00 H new ATOM 0 HG23 VAL A 32 -1.115 -4.777 -0.578 1.00 1.00 H new ATOM 491 N LEU A 33 2.045 -8.326 1.572 1.00 1.00 N ATOM 492 CA LEU A 33 2.544 -9.699 1.748 1.00 1.00 C ATOM 493 C LEU A 33 1.550 -10.505 2.567 1.00 1.00 C ATOM 494 O LEU A 33 1.314 -11.679 2.279 1.00 1.00 O ATOM 495 CB LEU A 33 3.961 -9.703 2.425 1.00 1.00 C ATOM 496 CG LEU A 33 4.867 -10.859 1.888 1.00 1.00 C ATOM 497 CD1 LEU A 33 6.244 -10.797 2.582 1.00 1.00 C ATOM 498 CD2 LEU A 33 4.201 -12.247 2.126 1.00 1.00 C ATOM 0 H LEU A 33 2.511 -7.629 2.153 1.00 1.00 H new ATOM 0 HA LEU A 33 2.649 -10.161 0.766 1.00 1.00 H new ATOM 0 HB2 LEU A 33 4.451 -8.746 2.245 1.00 1.00 H new ATOM 0 HB3 LEU A 33 3.846 -9.805 3.504 1.00 1.00 H new ATOM 0 HG LEU A 33 4.997 -10.732 0.813 1.00 1.00 H new ATOM 0 HD11 LEU A 33 6.876 -11.602 2.208 1.00 1.00 H new ATOM 0 HD12 LEU A 33 6.715 -9.837 2.370 1.00 1.00 H new ATOM 0 HD13 LEU A 33 6.114 -10.907 3.659 1.00 1.00 H new ATOM 0 HD21 LEU A 33 4.852 -13.033 1.743 1.00 1.00 H new ATOM 0 HD22 LEU A 33 4.042 -12.396 3.194 1.00 1.00 H new ATOM 0 HD23 LEU A 33 3.243 -12.285 1.607 1.00 1.00 H new ATOM 510 N LYS A 34 0.994 -9.896 3.608 1.00 1.00 N ATOM 511 CA LYS A 34 0.025 -10.596 4.474 1.00 1.00 C ATOM 512 C LYS A 34 -0.806 -9.583 5.255 1.00 1.00 C ATOM 513 O LYS A 34 -0.403 -8.433 5.426 1.00 1.00 O ATOM 514 CB LYS A 34 0.753 -11.588 5.424 1.00 1.00 C ATOM 515 CG LYS A 34 1.783 -10.846 6.295 1.00 1.00 C ATOM 516 CD LYS A 34 2.530 -11.824 7.228 1.00 1.00 C ATOM 517 CE LYS A 34 3.549 -11.050 8.091 1.00 1.00 C ATOM 518 NZ LYS A 34 4.265 -11.997 8.985 1.00 1.00 N ATOM 0 H LYS A 34 1.188 -8.932 3.879 1.00 1.00 H new ATOM 0 HA LYS A 34 -0.651 -11.179 3.849 1.00 1.00 H new ATOM 0 HB2 LYS A 34 0.025 -12.091 6.061 1.00 1.00 H new ATOM 0 HB3 LYS A 34 1.252 -12.360 4.839 1.00 1.00 H new ATOM 0 HG2 LYS A 34 2.499 -10.329 5.656 1.00 1.00 H new ATOM 0 HG3 LYS A 34 1.279 -10.084 6.890 1.00 1.00 H new ATOM 0 HD2 LYS A 34 1.818 -12.344 7.869 1.00 1.00 H new ATOM 0 HD3 LYS A 34 3.043 -12.584 6.638 1.00 1.00 H new ATOM 0 HE2 LYS A 34 4.261 -10.529 7.451 1.00 1.00 H new ATOM 0 HE3 LYS A 34 3.037 -10.291 8.683 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 4.951 -11.474 9.566 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 3.580 -12.475 9.604 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 4.766 -12.705 8.411 1.00 1.00 H new ATOM 532 N THR A 35 -1.966 -10.020 5.734 1.00 1.00 N ATOM 533 CA THR A 35 -2.877 -9.151 6.501 1.00 1.00 C ATOM 534 C THR A 35 -3.477 -9.901 7.687 1.00 1.00 C ATOM 535 O THR A 35 -3.618 -11.123 7.661 1.00 1.00 O ATOM 536 CB THR A 35 -4.012 -8.658 5.566 1.00 1.00 C ATOM 537 OG1 THR A 35 -5.022 -8.026 6.339 1.00 1.00 O ATOM 538 CG2 THR A 35 -4.633 -9.834 4.783 1.00 1.00 C ATOM 0 H THR A 35 -2.306 -10.973 5.608 1.00 1.00 H new ATOM 0 HA THR A 35 -2.313 -8.302 6.886 1.00 1.00 H new ATOM 0 HB THR A 35 -3.587 -7.951 4.854 1.00 1.00 H new ATOM 0 HG1 THR A 35 -4.840 -7.064 6.391 1.00 1.00 H new ATOM 0 HG21 THR A 35 -5.426 -9.461 4.135 1.00 1.00 H new ATOM 0 HG22 THR A 35 -3.865 -10.314 4.177 1.00 1.00 H new ATOM 0 HG23 THR A 35 -5.048 -10.559 5.483 1.00 1.00 H new ATOM 546 N LYS A 36 -3.850 -9.155 8.722 1.00 1.00 N ATOM 547 CA LYS A 36 -4.461 -9.785 9.934 1.00 1.00 C ATOM 548 C LYS A 36 -5.951 -9.387 10.051 1.00 1.00 C ATOM 549 O LYS A 36 -6.246 -8.439 10.779 1.00 1.00 O ATOM 550 CB LYS A 36 -3.663 -9.352 11.193 1.00 1.00 C ATOM 551 CG LYS A 36 -4.167 -10.103 12.454 1.00 1.00 C ATOM 552 CD LYS A 36 -3.318 -9.727 13.689 1.00 1.00 C ATOM 553 CE LYS A 36 -3.811 -10.505 14.926 1.00 1.00 C ATOM 554 NZ LYS A 36 -2.981 -10.142 16.107 1.00 1.00 N ATOM 0 H LYS A 36 -3.753 -8.141 8.768 1.00 1.00 H new ATOM 0 HA LYS A 36 -4.415 -10.871 9.847 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -2.602 -9.555 11.044 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -3.764 -8.277 11.341 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -5.213 -9.856 12.637 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -4.118 -11.179 12.287 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -2.268 -9.954 13.501 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -3.385 -8.655 13.873 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -4.858 -10.274 15.120 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -3.750 -11.578 14.742 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -3.314 -10.667 16.940 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -1.987 -10.384 15.920 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -3.061 -9.121 16.287 1.00 1.00 H new ATOM 568 N PRO A 37 -6.863 -10.049 9.393 1.00 1.00 N ATOM 569 CA PRO A 37 -8.324 -9.677 9.464 1.00 1.00 C ATOM 570 C PRO A 37 -9.011 -10.254 10.705 1.00 1.00 C ATOM 571 O PRO A 37 -10.237 -10.223 10.806 1.00 1.00 O ATOM 572 CB PRO A 37 -8.879 -10.290 8.161 1.00 1.00 C ATOM 573 CG PRO A 37 -8.131 -11.586 8.058 1.00 1.00 C ATOM 574 CD PRO A 37 -6.682 -11.235 8.496 1.00 1.00 C ATOM 0 HA PRO A 37 -8.492 -8.603 9.549 1.00 1.00 H new ATOM 0 HB2 PRO A 37 -9.956 -10.448 8.215 1.00 1.00 H new ATOM 0 HB3 PRO A 37 -8.694 -9.647 7.301 1.00 1.00 H new ATOM 0 HG2 PRO A 37 -8.567 -12.348 8.704 1.00 1.00 H new ATOM 0 HG3 PRO A 37 -8.154 -11.978 7.041 1.00 1.00 H new ATOM 0 HD2 PRO A 37 -6.209 -12.066 9.020 1.00 1.00 H new ATOM 0 HD3 PRO A 37 -6.051 -10.998 7.640 1.00 1.00 H new ATOM 582 N ASP A 38 -8.228 -10.770 11.647 1.00 1.00 N ATOM 583 CA ASP A 38 -8.762 -11.358 12.876 1.00 1.00 C ATOM 584 C ASP A 38 -9.374 -10.283 13.778 1.00 1.00 C ATOM 585 O ASP A 38 -9.861 -10.580 14.868 1.00 1.00 O ATOM 586 CB ASP A 38 -7.628 -12.102 13.621 1.00 1.00 C ATOM 587 CG ASP A 38 -8.168 -12.837 14.857 1.00 1.00 C ATOM 588 OD1 ASP A 38 -8.938 -13.767 14.676 1.00 1.00 O ATOM 589 OD2 ASP A 38 -7.805 -12.460 15.960 1.00 1.00 O ATOM 0 H ASP A 38 -7.210 -10.794 11.583 1.00 1.00 H new ATOM 0 HA ASP A 38 -9.551 -12.063 12.615 1.00 1.00 H new ATOM 0 HB2 ASP A 38 -7.154 -12.816 12.948 1.00 1.00 H new ATOM 0 HB3 ASP A 38 -6.860 -11.391 13.924 1.00 1.00 H new ATOM 594 N ALA A 39 -9.346 -9.031 13.331 1.00 1.00 N ATOM 595 CA ALA A 39 -9.898 -7.916 14.118 1.00 1.00 C ATOM 596 C ALA A 39 -10.141 -6.682 13.244 1.00 1.00 C ATOM 597 O ALA A 39 -9.575 -6.538 12.159 1.00 1.00 O ATOM 598 CB ALA A 39 -8.921 -7.564 15.252 1.00 1.00 C ATOM 0 H ALA A 39 -8.950 -8.756 12.432 1.00 1.00 H new ATOM 0 HA ALA A 39 -10.857 -8.228 14.532 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -9.326 -6.739 15.838 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -8.783 -8.432 15.896 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -7.961 -7.271 14.827 1.00 1.00 H new ATOM 604 N THR A 40 -10.981 -5.774 13.729 1.00 1.00 N ATOM 605 CA THR A 40 -11.325 -4.526 12.996 1.00 1.00 C ATOM 606 C THR A 40 -11.476 -3.313 13.978 1.00 1.00 C ATOM 607 O THR A 40 -12.366 -3.367 14.827 1.00 1.00 O ATOM 608 CB THR A 40 -12.668 -4.732 12.258 1.00 1.00 C ATOM 609 OG1 THR A 40 -13.691 -4.951 13.217 1.00 1.00 O ATOM 610 CG2 THR A 40 -12.587 -5.953 11.309 1.00 1.00 C ATOM 0 H THR A 40 -11.447 -5.865 14.632 1.00 1.00 H new ATOM 0 HA THR A 40 -10.521 -4.308 12.293 1.00 1.00 H new ATOM 0 HB THR A 40 -12.887 -3.844 11.665 1.00 1.00 H new ATOM 0 HG1 THR A 40 -13.393 -4.627 14.093 1.00 1.00 H new ATOM 0 HG21 THR A 40 -13.542 -6.081 10.799 1.00 1.00 H new ATOM 0 HG22 THR A 40 -11.801 -5.789 10.572 1.00 1.00 H new ATOM 0 HG23 THR A 40 -12.361 -6.849 11.887 1.00 1.00 H new ATOM 618 N PRO A 41 -10.687 -2.278 13.893 1.00 1.00 N ATOM 619 CA PRO A 41 -9.557 -2.053 12.915 1.00 1.00 C ATOM 620 C PRO A 41 -8.387 -2.987 13.225 1.00 1.00 C ATOM 621 O PRO A 41 -8.427 -3.790 14.157 1.00 1.00 O ATOM 622 CB PRO A 41 -9.188 -0.557 13.130 1.00 1.00 C ATOM 623 CG PRO A 41 -9.483 -0.340 14.581 1.00 1.00 C ATOM 624 CD PRO A 41 -10.799 -1.107 14.812 1.00 1.00 C ATOM 0 HA PRO A 41 -9.824 -2.264 11.880 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -8.141 -0.363 12.898 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -9.782 0.100 12.495 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -8.682 -0.723 15.213 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -9.593 0.720 14.812 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -10.904 -1.421 15.851 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -11.668 -0.493 14.575 1.00 1.00 H new ATOM 632 N VAL A 42 -7.330 -2.874 12.427 1.00 1.00 N ATOM 633 CA VAL A 42 -6.146 -3.733 12.626 1.00 1.00 C ATOM 634 C VAL A 42 -4.967 -3.228 11.800 1.00 1.00 C ATOM 635 O VAL A 42 -5.093 -2.251 11.061 1.00 1.00 O ATOM 636 CB VAL A 42 -6.508 -5.207 12.255 1.00 1.00 C ATOM 637 CG1 VAL A 42 -6.863 -5.300 10.736 1.00 1.00 C ATOM 638 CG2 VAL A 42 -5.335 -6.185 12.624 1.00 1.00 C ATOM 0 H VAL A 42 -7.259 -2.215 11.651 1.00 1.00 H new ATOM 0 HA VAL A 42 -5.847 -3.698 13.674 1.00 1.00 H new ATOM 0 HB VAL A 42 -7.380 -5.510 12.835 1.00 1.00 H new ATOM 0 HG11 VAL A 42 -7.114 -6.330 10.484 1.00 1.00 H new ATOM 0 HG12 VAL A 42 -7.715 -4.655 10.521 1.00 1.00 H new ATOM 0 HG13 VAL A 42 -6.007 -4.979 10.142 1.00 1.00 H new ATOM 0 HG21 VAL A 42 -5.613 -7.204 12.355 1.00 1.00 H new ATOM 0 HG22 VAL A 42 -4.437 -5.898 12.078 1.00 1.00 H new ATOM 0 HG23 VAL A 42 -5.141 -6.132 13.695 1.00 1.00 H new ATOM 648 N GLU A 43 -3.809 -3.863 11.947 1.00 1.00 N ATOM 649 CA GLU A 43 -2.583 -3.520 11.222 1.00 1.00 C ATOM 650 C GLU A 43 -2.423 -4.439 9.991 1.00 1.00 C ATOM 651 O GLU A 43 -3.033 -5.501 9.860 1.00 1.00 O ATOM 652 CB GLU A 43 -1.360 -3.663 12.168 1.00 1.00 C ATOM 653 CG GLU A 43 -1.291 -5.087 12.773 1.00 1.00 C ATOM 654 CD GLU A 43 -0.105 -5.206 13.739 1.00 1.00 C ATOM 655 OE1 GLU A 43 0.905 -4.566 13.494 1.00 1.00 O ATOM 656 OE2 GLU A 43 -0.229 -5.935 14.710 1.00 1.00 O ATOM 0 H GLU A 43 -3.690 -4.648 12.587 1.00 1.00 H new ATOM 0 HA GLU A 43 -2.644 -2.488 10.878 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -0.443 -3.453 11.617 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -1.427 -2.926 12.969 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -2.219 -5.310 13.299 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -1.192 -5.823 11.975 1.00 1.00 H new ATOM 663 N TYR A 44 -1.568 -4.002 9.072 1.00 1.00 N ATOM 664 CA TYR A 44 -1.295 -4.738 7.825 1.00 1.00 C ATOM 665 C TYR A 44 0.210 -4.802 7.555 1.00 1.00 C ATOM 666 O TYR A 44 0.989 -3.958 7.996 1.00 1.00 O ATOM 667 CB TYR A 44 -2.021 -4.024 6.663 1.00 1.00 C ATOM 668 CG TYR A 44 -3.521 -3.953 6.993 1.00 1.00 C ATOM 669 CD1 TYR A 44 -4.025 -2.898 7.779 1.00 1.00 C ATOM 670 CD2 TYR A 44 -4.404 -4.953 6.536 1.00 1.00 C ATOM 671 CE1 TYR A 44 -5.387 -2.848 8.101 1.00 1.00 C ATOM 672 CE2 TYR A 44 -5.766 -4.893 6.857 1.00 1.00 C ATOM 673 CZ TYR A 44 -6.256 -3.843 7.639 1.00 1.00 C ATOM 674 OH TYR A 44 -7.597 -3.792 7.964 1.00 1.00 O ATOM 0 H TYR A 44 -1.043 -3.132 9.162 1.00 1.00 H new ATOM 0 HA TYR A 44 -1.660 -5.761 7.916 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -1.616 -3.022 6.523 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -1.864 -4.564 5.730 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -3.359 -2.126 8.134 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -4.028 -5.769 5.936 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -5.768 -2.039 8.707 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -6.439 -5.659 6.500 1.00 1.00 H new ATOM 0 HH TYR A 44 -7.926 -2.876 7.852 1.00 1.00 H new ATOM 684 N TYR A 45 0.602 -5.828 6.808 1.00 1.00 N ATOM 685 CA TYR A 45 2.038 -6.026 6.469 1.00 1.00 C ATOM 686 C TYR A 45 2.329 -5.532 5.054 1.00 1.00 C ATOM 687 O TYR A 45 1.975 -6.163 4.057 1.00 1.00 O ATOM 688 CB TYR A 45 2.411 -7.505 6.579 1.00 1.00 C ATOM 689 CG TYR A 45 3.941 -7.680 6.490 1.00 1.00 C ATOM 690 CD1 TYR A 45 4.576 -7.706 5.234 1.00 1.00 C ATOM 691 CD2 TYR A 45 4.716 -7.828 7.657 1.00 1.00 C ATOM 692 CE1 TYR A 45 5.960 -7.881 5.150 1.00 1.00 C ATOM 693 CE2 TYR A 45 6.099 -7.998 7.566 1.00 1.00 C ATOM 694 CZ TYR A 45 6.719 -8.027 6.316 1.00 1.00 C ATOM 695 OH TYR A 45 8.076 -8.206 6.232 1.00 1.00 O ATOM 0 H TYR A 45 -0.028 -6.532 6.424 1.00 1.00 H new ATOM 0 HA TYR A 45 2.636 -5.450 7.176 1.00 1.00 H new ATOM 0 HB2 TYR A 45 2.046 -7.910 7.523 1.00 1.00 H new ATOM 0 HB3 TYR A 45 1.927 -8.069 5.782 1.00 1.00 H new ATOM 0 HD1 TYR A 45 3.992 -7.590 4.333 1.00 1.00 H new ATOM 0 HD2 TYR A 45 4.239 -7.810 8.626 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.444 -7.904 4.185 1.00 1.00 H new ATOM 0 HE2 TYR A 45 6.689 -8.107 8.464 1.00 1.00 H new ATOM 0 HH TYR A 45 8.479 -7.441 5.772 1.00 1.00 H new ATOM 705 N ILE A 46 2.997 -4.386 4.988 1.00 1.00 N ATOM 706 CA ILE A 46 3.371 -3.743 3.709 1.00 1.00 C ATOM 707 C ILE A 46 4.899 -3.757 3.533 1.00 1.00 C ATOM 708 O ILE A 46 5.665 -3.588 4.481 1.00 1.00 O ATOM 709 CB ILE A 46 2.849 -2.274 3.701 1.00 1.00 C ATOM 710 CG1 ILE A 46 1.321 -2.245 4.045 1.00 1.00 C ATOM 711 CG2 ILE A 46 3.098 -1.604 2.322 1.00 1.00 C ATOM 712 CD1 ILE A 46 0.466 -3.115 3.095 1.00 1.00 C ATOM 0 H ILE A 46 3.300 -3.867 5.812 1.00 1.00 H new ATOM 0 HA ILE A 46 2.921 -4.295 2.884 1.00 1.00 H new ATOM 0 HB ILE A 46 3.397 -1.712 4.458 1.00 1.00 H new ATOM 0 HG12 ILE A 46 1.179 -2.590 5.069 1.00 1.00 H new ATOM 0 HG13 ILE A 46 0.965 -1.216 4.003 1.00 1.00 H new ATOM 0 HG21 ILE A 46 2.725 -0.580 2.342 1.00 1.00 H new ATOM 0 HG22 ILE A 46 4.167 -1.597 2.109 1.00 1.00 H new ATOM 0 HG23 ILE A 46 2.577 -2.165 1.546 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -0.582 -3.051 3.388 1.00 1.00 H new ATOM 0 HD12 ILE A 46 0.580 -2.756 2.072 1.00 1.00 H new ATOM 0 HD13 ILE A 46 0.797 -4.152 3.155 1.00 1.00 H new ATOM 724 N HIS A 47 5.338 -3.957 2.294 1.00 1.00 N ATOM 725 CA HIS A 47 6.778 -3.969 1.955 1.00 1.00 C ATOM 726 C HIS A 47 6.988 -3.345 0.569 1.00 1.00 C ATOM 727 O HIS A 47 6.231 -3.612 -0.365 1.00 1.00 O ATOM 728 CB HIS A 47 7.328 -5.413 1.982 1.00 1.00 C ATOM 729 CG HIS A 47 6.686 -6.252 0.907 1.00 1.00 C ATOM 730 ND1 HIS A 47 7.411 -6.754 -0.162 1.00 1.00 N ATOM 731 CD2 HIS A 47 5.398 -6.668 0.713 1.00 1.00 C ATOM 732 CE1 HIS A 47 6.558 -7.432 -0.948 1.00 1.00 C ATOM 733 NE2 HIS A 47 5.318 -7.412 -0.458 1.00 1.00 N ATOM 0 H HIS A 47 4.722 -4.115 1.496 1.00 1.00 H new ATOM 0 HA HIS A 47 7.321 -3.382 2.696 1.00 1.00 H new ATOM 0 HB2 HIS A 47 8.409 -5.398 1.840 1.00 1.00 H new ATOM 0 HB3 HIS A 47 7.141 -5.860 2.958 1.00 1.00 H new ATOM 0 HD1 HIS A 47 8.411 -6.631 -0.323 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.569 -6.451 1.370 1.00 1.00 H new ATOM 0 HE1 HIS A 47 6.841 -7.931 -1.863 1.00 1.00 H new ATOM 742 N TYR A 48 8.026 -2.529 0.423 1.00 1.00 N ATOM 743 CA TYR A 48 8.321 -1.883 -0.858 1.00 1.00 C ATOM 744 C TYR A 48 8.825 -2.926 -1.869 1.00 1.00 C ATOM 745 O TYR A 48 9.686 -3.751 -1.564 1.00 1.00 O ATOM 746 CB TYR A 48 9.372 -0.778 -0.642 1.00 1.00 C ATOM 747 CG TYR A 48 8.818 0.251 0.358 1.00 1.00 C ATOM 748 CD1 TYR A 48 7.883 1.213 -0.074 1.00 1.00 C ATOM 749 CD2 TYR A 48 9.222 0.237 1.711 1.00 1.00 C ATOM 750 CE1 TYR A 48 7.363 2.147 0.832 1.00 1.00 C ATOM 751 CE2 TYR A 48 8.699 1.176 2.609 1.00 1.00 C ATOM 752 CZ TYR A 48 7.770 2.128 2.170 1.00 1.00 C ATOM 753 OH TYR A 48 7.255 3.047 3.060 1.00 1.00 O ATOM 0 H TYR A 48 8.678 -2.297 1.172 1.00 1.00 H new ATOM 0 HA TYR A 48 7.413 -1.432 -1.259 1.00 1.00 H new ATOM 0 HB2 TYR A 48 10.299 -1.209 -0.264 1.00 1.00 H new ATOM 0 HB3 TYR A 48 9.609 -0.293 -1.589 1.00 1.00 H new ATOM 0 HD1 TYR A 48 7.566 1.230 -1.106 1.00 1.00 H new ATOM 0 HD2 TYR A 48 9.935 -0.498 2.054 1.00 1.00 H new ATOM 0 HE1 TYR A 48 6.647 2.883 0.497 1.00 1.00 H new ATOM 0 HE2 TYR A 48 9.013 1.166 3.642 1.00 1.00 H new ATOM 0 HH TYR A 48 7.617 2.875 3.954 1.00 1.00 H new ATOM 763 N ALA A 49 8.281 -2.886 -3.081 1.00 1.00 N ATOM 764 CA ALA A 49 8.664 -3.835 -4.138 1.00 1.00 C ATOM 765 C ALA A 49 10.114 -3.599 -4.587 1.00 1.00 C ATOM 766 O ALA A 49 10.533 -2.460 -4.793 1.00 1.00 O ATOM 767 CB ALA A 49 7.711 -3.672 -5.337 1.00 1.00 C ATOM 0 H ALA A 49 7.572 -2.209 -3.363 1.00 1.00 H new ATOM 0 HA ALA A 49 8.591 -4.848 -3.743 1.00 1.00 H new ATOM 0 HB1 ALA A 49 7.991 -4.374 -6.123 1.00 1.00 H new ATOM 0 HB2 ALA A 49 6.688 -3.873 -5.019 1.00 1.00 H new ATOM 0 HB3 ALA A 49 7.778 -2.653 -5.719 1.00 1.00 H new ATOM 773 N GLY A 50 10.878 -4.674 -4.747 1.00 1.00 N ATOM 774 CA GLY A 50 12.285 -4.591 -5.182 1.00 1.00 C ATOM 775 C GLY A 50 13.214 -4.298 -4.008 1.00 1.00 C ATOM 776 O GLY A 50 14.342 -3.842 -4.195 1.00 1.00 O ATOM 0 H GLY A 50 10.551 -5.626 -4.582 1.00 1.00 H new ATOM 0 HA2 GLY A 50 12.577 -5.529 -5.654 1.00 1.00 H new ATOM 0 HA3 GLY A 50 12.389 -3.809 -5.934 1.00 1.00 H new ATOM 780 N TRP A 51 12.743 -4.563 -2.794 1.00 1.00 N ATOM 781 CA TRP A 51 13.540 -4.325 -1.568 1.00 1.00 C ATOM 782 C TRP A 51 13.353 -5.463 -0.565 1.00 1.00 C ATOM 783 O TRP A 51 12.434 -6.278 -0.662 1.00 1.00 O ATOM 784 CB TRP A 51 13.110 -2.985 -0.935 1.00 1.00 C ATOM 785 CG TRP A 51 13.402 -1.858 -1.894 1.00 1.00 C ATOM 786 CD1 TRP A 51 12.494 -1.227 -2.679 1.00 1.00 C ATOM 787 CD2 TRP A 51 14.685 -1.235 -2.180 1.00 1.00 C ATOM 788 NE1 TRP A 51 13.141 -0.259 -3.423 1.00 1.00 N ATOM 789 CE2 TRP A 51 14.494 -0.224 -3.150 1.00 1.00 C ATOM 790 CE3 TRP A 51 15.987 -1.448 -1.690 1.00 1.00 C ATOM 791 CZ2 TRP A 51 15.556 0.549 -3.621 1.00 1.00 C ATOM 792 CZ3 TRP A 51 17.060 -0.672 -2.160 1.00 1.00 C ATOM 793 CH2 TRP A 51 16.843 0.326 -3.125 1.00 1.00 C ATOM 0 H TRP A 51 11.813 -4.944 -2.619 1.00 1.00 H new ATOM 0 HA TRP A 51 14.596 -4.284 -1.837 1.00 1.00 H new ATOM 0 HB2 TRP A 51 12.046 -3.008 -0.697 1.00 1.00 H new ATOM 0 HB3 TRP A 51 13.643 -2.826 0.002 1.00 1.00 H new ATOM 0 HD1 TRP A 51 11.437 -1.446 -2.717 1.00 1.00 H new ATOM 0 HE1 TRP A 51 12.676 0.355 -4.092 1.00 1.00 H new ATOM 0 HE3 TRP A 51 16.163 -2.213 -0.948 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 15.384 1.314 -4.364 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 18.056 -0.843 -1.778 1.00 1.00 H new ATOM 0 HH2 TRP A 51 17.671 0.920 -3.483 1.00 1.00 H new ATOM 804 N SER A 52 14.249 -5.516 0.413 1.00 1.00 N ATOM 805 CA SER A 52 14.207 -6.555 1.448 1.00 1.00 C ATOM 806 C SER A 52 12.919 -6.450 2.268 1.00 1.00 C ATOM 807 O SER A 52 12.549 -5.365 2.722 1.00 1.00 O ATOM 808 CB SER A 52 15.413 -6.397 2.384 1.00 1.00 C ATOM 809 OG SER A 52 15.298 -5.167 3.088 1.00 1.00 O ATOM 0 H SER A 52 15.017 -4.853 0.516 1.00 1.00 H new ATOM 0 HA SER A 52 14.237 -7.529 0.960 1.00 1.00 H new ATOM 0 HB2 SER A 52 15.455 -7.230 3.086 1.00 1.00 H new ATOM 0 HB3 SER A 52 16.339 -6.417 1.810 1.00 1.00 H new ATOM 0 HG SER A 52 14.351 -4.936 3.190 1.00 1.00 H new ATOM 815 N LYS A 53 12.242 -7.575 2.464 1.00 1.00 N ATOM 816 CA LYS A 53 10.992 -7.644 3.232 1.00 1.00 C ATOM 817 C LYS A 53 11.273 -7.716 4.731 1.00 1.00 C ATOM 818 O LYS A 53 10.344 -7.685 5.539 1.00 1.00 O ATOM 819 CB LYS A 53 10.141 -8.853 2.775 1.00 1.00 C ATOM 820 CG LYS A 53 10.917 -10.178 2.952 1.00 1.00 C ATOM 821 CD LYS A 53 10.045 -11.364 2.473 1.00 1.00 C ATOM 822 CE LYS A 53 10.817 -12.686 2.612 1.00 1.00 C ATOM 823 NZ LYS A 53 11.167 -12.899 4.044 1.00 1.00 N ATOM 0 H LYS A 53 12.543 -8.476 2.093 1.00 1.00 H new ATOM 0 HA LYS A 53 10.426 -6.732 3.041 1.00 1.00 H new ATOM 0 HB2 LYS A 53 9.217 -8.890 3.351 1.00 1.00 H new ATOM 0 HB3 LYS A 53 9.860 -8.729 1.729 1.00 1.00 H new ATOM 0 HG2 LYS A 53 11.846 -10.145 2.383 1.00 1.00 H new ATOM 0 HG3 LYS A 53 11.189 -10.314 3.999 1.00 1.00 H new ATOM 0 HD2 LYS A 53 9.127 -11.408 3.058 1.00 1.00 H new ATOM 0 HD3 LYS A 53 9.754 -11.213 1.434 1.00 1.00 H new ATOM 0 HE2 LYS A 53 10.212 -13.515 2.246 1.00 1.00 H new ATOM 0 HE3 LYS A 53 11.721 -12.659 2.004 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 11.407 -13.899 4.198 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 11.983 -12.305 4.294 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 10.356 -12.642 4.642 1.00 1.00 H new ATOM 837 N ASN A 54 12.539 -7.830 5.119 1.00 1.00 N ATOM 838 CA ASN A 54 12.920 -7.928 6.532 1.00 1.00 C ATOM 839 C ASN A 54 12.676 -6.602 7.243 1.00 1.00 C ATOM 840 O ASN A 54 12.737 -6.524 8.470 1.00 1.00 O ATOM 841 CB ASN A 54 14.403 -8.327 6.641 1.00 1.00 C ATOM 842 CG ASN A 54 14.641 -9.654 5.922 1.00 1.00 C ATOM 843 OD1 ASN A 54 13.780 -10.532 5.937 1.00 1.00 O ATOM 844 ND2 ASN A 54 15.767 -9.852 5.292 1.00 1.00 N ATOM 0 H ASN A 54 13.327 -7.857 4.472 1.00 1.00 H new ATOM 0 HA ASN A 54 12.308 -8.691 7.012 1.00 1.00 H new ATOM 0 HB2 ASN A 54 15.030 -7.550 6.205 1.00 1.00 H new ATOM 0 HB3 ASN A 54 14.688 -8.416 7.689 1.00 1.00 H new ATOM 0 HD21 ASN A 54 15.934 -10.736 4.811 1.00 1.00 H new ATOM 0 HD22 ASN A 54 16.480 -9.123 5.281 1.00 1.00 H new ATOM 851 N TRP A 55 12.405 -5.554 6.472 1.00 1.00 N ATOM 852 CA TRP A 55 12.153 -4.224 7.027 1.00 1.00 C ATOM 853 C TRP A 55 10.834 -4.229 7.809 1.00 1.00 C ATOM 854 O TRP A 55 10.649 -3.434 8.730 1.00 1.00 O ATOM 855 CB TRP A 55 12.101 -3.194 5.878 1.00 1.00 C ATOM 856 CG TRP A 55 12.054 -1.791 6.418 1.00 1.00 C ATOM 857 CD1 TRP A 55 10.974 -1.206 6.978 1.00 1.00 C ATOM 858 CD2 TRP A 55 13.121 -0.800 6.453 1.00 1.00 C ATOM 859 NE1 TRP A 55 11.307 0.082 7.354 1.00 1.00 N ATOM 860 CE2 TRP A 55 12.620 0.381 7.051 1.00 1.00 C ATOM 861 CE3 TRP A 55 14.462 -0.811 6.027 1.00 1.00 C ATOM 862 CZ2 TRP A 55 13.420 1.510 7.220 1.00 1.00 C ATOM 863 CZ3 TRP A 55 15.272 0.326 6.196 1.00 1.00 C ATOM 864 CH2 TRP A 55 14.751 1.484 6.791 1.00 1.00 C ATOM 0 H TRP A 55 12.354 -5.599 5.454 1.00 1.00 H new ATOM 0 HA TRP A 55 12.957 -3.951 7.711 1.00 1.00 H new ATOM 0 HB2 TRP A 55 12.975 -3.313 5.238 1.00 1.00 H new ATOM 0 HB3 TRP A 55 11.224 -3.379 5.258 1.00 1.00 H new ATOM 0 HD1 TRP A 55 10.007 -1.669 7.111 1.00 1.00 H new ATOM 0 HE1 TRP A 55 10.661 0.732 7.801 1.00 1.00 H new ATOM 0 HE3 TRP A 55 14.872 -1.698 5.567 1.00 1.00 H new ATOM 0 HZ2 TRP A 55 13.015 2.399 7.679 1.00 1.00 H new ATOM 0 HZ3 TRP A 55 16.300 0.307 5.866 1.00 1.00 H new ATOM 0 HH2 TRP A 55 15.377 2.355 6.918 1.00 1.00 H new ATOM 875 N ASP A 56 9.926 -5.123 7.433 1.00 1.00 N ATOM 876 CA ASP A 56 8.609 -5.272 8.085 1.00 1.00 C ATOM 877 C ASP A 56 7.942 -3.923 8.409 1.00 1.00 C ATOM 878 O ASP A 56 7.926 -3.489 9.560 1.00 1.00 O ATOM 879 CB ASP A 56 8.754 -6.131 9.365 1.00 1.00 C ATOM 880 CG ASP A 56 9.693 -5.459 10.368 1.00 1.00 C ATOM 881 OD1 ASP A 56 10.894 -5.614 10.219 1.00 1.00 O ATOM 882 OD2 ASP A 56 9.200 -4.804 11.272 1.00 1.00 O ATOM 0 H ASP A 56 10.074 -5.774 6.662 1.00 1.00 H new ATOM 0 HA ASP A 56 7.952 -5.775 7.376 1.00 1.00 H new ATOM 0 HB2 ASP A 56 7.775 -6.281 9.821 1.00 1.00 H new ATOM 0 HB3 ASP A 56 9.138 -7.117 9.105 1.00 1.00 H new ATOM 887 N GLU A 57 7.390 -3.248 7.404 1.00 1.00 N ATOM 888 CA GLU A 57 6.740 -1.939 7.615 1.00 1.00 C ATOM 889 C GLU A 57 5.262 -2.122 7.976 1.00 1.00 C ATOM 890 O GLU A 57 4.395 -2.109 7.102 1.00 1.00 O ATOM 891 CB GLU A 57 6.881 -1.079 6.323 1.00 1.00 C ATOM 892 CG GLU A 57 6.477 0.392 6.586 1.00 1.00 C ATOM 893 CD GLU A 57 6.589 1.233 5.313 1.00 1.00 C ATOM 894 OE1 GLU A 57 6.527 0.663 4.235 1.00 1.00 O ATOM 895 OE2 GLU A 57 6.704 2.441 5.437 1.00 1.00 O ATOM 0 H GLU A 57 7.375 -3.575 6.438 1.00 1.00 H new ATOM 0 HA GLU A 57 7.229 -1.428 8.444 1.00 1.00 H new ATOM 0 HB2 GLU A 57 7.910 -1.119 5.967 1.00 1.00 H new ATOM 0 HB3 GLU A 57 6.254 -1.496 5.535 1.00 1.00 H new ATOM 0 HG2 GLU A 57 5.454 0.429 6.961 1.00 1.00 H new ATOM 0 HG3 GLU A 57 7.116 0.814 7.361 1.00 1.00 H new ATOM 902 N TRP A 58 4.966 -2.270 9.264 1.00 1.00 N ATOM 903 CA TRP A 58 3.589 -2.436 9.753 1.00 1.00 C ATOM 904 C TRP A 58 2.885 -1.067 9.731 1.00 1.00 C ATOM 905 O TRP A 58 3.343 -0.109 10.352 1.00 1.00 O ATOM 906 CB TRP A 58 3.614 -2.989 11.202 1.00 1.00 C ATOM 907 CG TRP A 58 4.139 -4.406 11.240 1.00 1.00 C ATOM 908 CD1 TRP A 58 5.444 -4.765 11.318 1.00 1.00 C ATOM 909 CD2 TRP A 58 3.379 -5.652 11.226 1.00 1.00 C ATOM 910 NE1 TRP A 58 5.530 -6.146 11.358 1.00 1.00 N ATOM 911 CE2 TRP A 58 4.282 -6.740 11.301 1.00 1.00 C ATOM 912 CE3 TRP A 58 2.005 -5.938 11.155 1.00 1.00 C ATOM 913 CZ2 TRP A 58 3.836 -8.065 11.308 1.00 1.00 C ATOM 914 CZ3 TRP A 58 1.551 -7.269 11.161 1.00 1.00 C ATOM 915 CH2 TRP A 58 2.466 -8.329 11.238 1.00 1.00 C ATOM 0 H TRP A 58 5.669 -2.279 10.003 1.00 1.00 H new ATOM 0 HA TRP A 58 3.051 -3.137 9.115 1.00 1.00 H new ATOM 0 HB2 TRP A 58 4.239 -2.351 11.826 1.00 1.00 H new ATOM 0 HB3 TRP A 58 2.609 -2.960 11.622 1.00 1.00 H new ATOM 0 HD1 TRP A 58 6.281 -4.083 11.345 1.00 1.00 H new ATOM 0 HE1 TRP A 58 6.407 -6.663 11.422 1.00 1.00 H new ATOM 0 HE3 TRP A 58 1.292 -5.129 11.095 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 4.545 -8.878 11.367 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 0.492 -7.476 11.106 1.00 1.00 H new ATOM 0 HH2 TRP A 58 2.112 -9.349 11.243 1.00 1.00 H new ATOM 926 N VAL A 59 1.768 -0.975 9.019 1.00 1.00 N ATOM 927 CA VAL A 59 1.019 0.322 8.914 1.00 1.00 C ATOM 928 C VAL A 59 -0.525 0.116 8.884 1.00 1.00 C ATOM 929 O VAL A 59 -0.997 -0.914 8.402 1.00 1.00 O ATOM 930 CB VAL A 59 1.481 1.095 7.619 1.00 1.00 C ATOM 931 CG1 VAL A 59 2.841 1.811 7.855 1.00 1.00 C ATOM 932 CG2 VAL A 59 1.604 0.105 6.432 1.00 1.00 C ATOM 0 H VAL A 59 1.349 -1.751 8.507 1.00 1.00 H new ATOM 0 HA VAL A 59 1.249 0.907 9.804 1.00 1.00 H new ATOM 0 HB VAL A 59 0.732 1.852 7.384 1.00 1.00 H new ATOM 0 HG11 VAL A 59 3.138 2.337 6.947 1.00 1.00 H new ATOM 0 HG12 VAL A 59 2.739 2.526 8.671 1.00 1.00 H new ATOM 0 HG13 VAL A 59 3.601 1.073 8.112 1.00 1.00 H new ATOM 0 HG21 VAL A 59 1.923 0.644 5.540 1.00 1.00 H new ATOM 0 HG22 VAL A 59 2.338 -0.664 6.674 1.00 1.00 H new ATOM 0 HG23 VAL A 59 0.637 -0.363 6.246 1.00 1.00 H new ATOM 942 N PRO A 60 -1.282 1.068 9.357 1.00 1.00 N ATOM 943 CA PRO A 60 -2.790 0.957 9.345 1.00 1.00 C ATOM 944 C PRO A 60 -3.372 1.161 7.935 1.00 1.00 C ATOM 945 O PRO A 60 -2.740 1.735 7.047 1.00 1.00 O ATOM 946 CB PRO A 60 -3.227 2.088 10.311 1.00 1.00 C ATOM 947 CG PRO A 60 -2.201 3.155 10.061 1.00 1.00 C ATOM 948 CD PRO A 60 -0.873 2.379 9.970 1.00 1.00 C ATOM 0 HA PRO A 60 -3.145 -0.029 9.645 1.00 1.00 H new ATOM 0 HB2 PRO A 60 -4.236 2.438 10.093 1.00 1.00 H new ATOM 0 HB3 PRO A 60 -3.222 1.757 11.350 1.00 1.00 H new ATOM 0 HG2 PRO A 60 -2.409 3.701 9.141 1.00 1.00 H new ATOM 0 HG3 PRO A 60 -2.181 3.887 10.868 1.00 1.00 H new ATOM 0 HD2 PRO A 60 -0.143 2.902 9.352 1.00 1.00 H new ATOM 0 HD3 PRO A 60 -0.420 2.240 10.951 1.00 1.00 H new ATOM 956 N GLU A 61 -4.598 0.688 7.738 1.00 1.00 N ATOM 957 CA GLU A 61 -5.291 0.814 6.444 1.00 1.00 C ATOM 958 C GLU A 61 -5.339 2.279 5.968 1.00 1.00 C ATOM 959 O GLU A 61 -5.558 2.561 4.790 1.00 1.00 O ATOM 960 CB GLU A 61 -6.732 0.248 6.573 1.00 1.00 C ATOM 961 CG GLU A 61 -7.475 0.926 7.746 1.00 1.00 C ATOM 962 CD GLU A 61 -8.890 0.359 7.880 1.00 1.00 C ATOM 963 OE1 GLU A 61 -9.047 -0.836 7.697 1.00 1.00 O ATOM 964 OE2 GLU A 61 -9.793 1.128 8.168 1.00 1.00 O ATOM 0 H GLU A 61 -5.141 0.210 8.457 1.00 1.00 H new ATOM 0 HA GLU A 61 -4.735 0.243 5.700 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -7.279 0.413 5.644 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -6.693 -0.829 6.733 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -6.924 0.769 8.673 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -7.522 2.003 7.582 1.00 1.00 H new ATOM 971 N ASN A 62 -5.138 3.212 6.893 1.00 1.00 N ATOM 972 CA ASN A 62 -5.175 4.645 6.571 1.00 1.00 C ATOM 973 C ASN A 62 -4.076 5.030 5.563 1.00 1.00 C ATOM 974 O ASN A 62 -4.332 5.811 4.646 1.00 1.00 O ATOM 975 CB ASN A 62 -5.025 5.462 7.871 1.00 1.00 C ATOM 976 CG ASN A 62 -5.164 6.962 7.603 1.00 1.00 C ATOM 977 OD1 ASN A 62 -5.928 7.370 6.727 1.00 1.00 O ATOM 978 ND2 ASN A 62 -4.471 7.807 8.313 1.00 1.00 N ATOM 0 H ASN A 62 -4.947 3.007 7.874 1.00 1.00 H new ATOM 0 HA ASN A 62 -6.134 4.870 6.104 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -5.781 5.147 8.590 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -4.053 5.259 8.321 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -4.560 8.809 8.144 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -3.839 7.466 9.038 1.00 1.00 H new ATOM 985 N ARG A 63 -2.870 4.499 5.723 1.00 1.00 N ATOM 986 CA ARG A 63 -1.740 4.816 4.812 1.00 1.00 C ATOM 987 C ARG A 63 -1.760 3.909 3.573 1.00 1.00 C ATOM 988 O ARG A 63 -0.943 4.068 2.667 1.00 1.00 O ATOM 989 CB ARG A 63 -0.391 4.676 5.583 1.00 1.00 C ATOM 990 CG ARG A 63 0.786 5.328 4.799 1.00 1.00 C ATOM 991 CD ARG A 63 2.088 5.235 5.610 1.00 1.00 C ATOM 992 NE ARG A 63 1.955 5.977 6.867 1.00 1.00 N ATOM 993 CZ ARG A 63 2.949 6.037 7.762 1.00 1.00 C ATOM 994 NH1 ARG A 63 4.092 5.448 7.527 1.00 1.00 N ATOM 995 NH2 ARG A 63 2.776 6.695 8.873 1.00 1.00 N ATOM 0 H ARG A 63 -2.634 3.846 6.470 1.00 1.00 H new ATOM 0 HA ARG A 63 -1.845 5.844 4.466 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -0.481 5.145 6.563 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -0.176 3.621 5.753 1.00 1.00 H new ATOM 0 HG2 ARG A 63 0.912 4.828 3.838 1.00 1.00 H new ATOM 0 HG3 ARG A 63 0.556 6.372 4.587 1.00 1.00 H new ATOM 0 HD2 ARG A 63 2.321 4.191 5.818 1.00 1.00 H new ATOM 0 HD3 ARG A 63 2.917 5.637 5.028 1.00 1.00 H new ATOM 0 HE ARG A 63 1.080 6.462 7.066 1.00 1.00 H new ATOM 0 HH11 ARG A 63 4.233 4.937 6.656 1.00 1.00 H new ATOM 0 HH12 ARG A 63 4.843 5.499 8.215 1.00 1.00 H new ATOM 0 HH21 ARG A 63 1.887 7.161 9.057 1.00 1.00 H new ATOM 0 HH22 ARG A 63 3.529 6.745 9.559 1.00 1.00 H new ATOM 1009 N VAL A 64 -2.703 2.974 3.517 1.00 1.00 N ATOM 1010 CA VAL A 64 -2.828 2.031 2.377 1.00 1.00 C ATOM 1011 C VAL A 64 -4.110 2.329 1.590 1.00 1.00 C ATOM 1012 O VAL A 64 -5.174 2.586 2.153 1.00 1.00 O ATOM 1013 CB VAL A 64 -2.844 0.563 2.894 1.00 1.00 C ATOM 1014 CG1 VAL A 64 -2.815 -0.437 1.706 1.00 1.00 C ATOM 1015 CG2 VAL A 64 -1.609 0.320 3.793 1.00 1.00 C ATOM 0 H VAL A 64 -3.403 2.837 4.246 1.00 1.00 H new ATOM 0 HA VAL A 64 -1.970 2.159 1.717 1.00 1.00 H new ATOM 0 HB VAL A 64 -3.759 0.406 3.465 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -2.827 -1.457 2.089 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -3.688 -0.277 1.074 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -1.909 -0.280 1.120 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -1.619 -0.708 4.156 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -0.700 0.492 3.217 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -1.636 1.004 4.641 1.00 1.00 H new ATOM 1025 N LEU A 65 -4.006 2.288 0.265 1.00 1.00 N ATOM 1026 CA LEU A 65 -5.161 2.555 -0.626 1.00 1.00 C ATOM 1027 C LEU A 65 -5.241 1.504 -1.734 1.00 1.00 C ATOM 1028 O LEU A 65 -4.247 0.871 -2.091 1.00 1.00 O ATOM 1029 CB LEU A 65 -5.042 3.982 -1.235 1.00 1.00 C ATOM 1030 CG LEU A 65 -3.684 4.186 -2.045 1.00 1.00 C ATOM 1031 CD1 LEU A 65 -3.965 4.793 -3.446 1.00 1.00 C ATOM 1032 CD2 LEU A 65 -2.727 5.135 -1.270 1.00 1.00 C ATOM 0 H LEU A 65 -3.139 2.074 -0.228 1.00 1.00 H new ATOM 0 HA LEU A 65 -6.077 2.498 -0.038 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -5.888 4.163 -1.898 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -5.100 4.721 -0.436 1.00 1.00 H new ATOM 0 HG LEU A 65 -3.217 3.208 -2.162 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -3.024 4.924 -3.981 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -4.613 4.122 -4.010 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -4.455 5.760 -3.332 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.805 5.264 -1.837 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -3.207 6.104 -1.134 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -2.497 4.704 -0.296 1.00 1.00 H new ATOM 1044 N LYS A 66 -6.436 1.322 -2.284 1.00 1.00 N ATOM 1045 CA LYS A 66 -6.664 0.344 -3.349 1.00 1.00 C ATOM 1046 C LYS A 66 -6.018 0.805 -4.656 1.00 1.00 C ATOM 1047 O LYS A 66 -5.921 1.999 -4.932 1.00 1.00 O ATOM 1048 CB LYS A 66 -8.191 0.129 -3.535 1.00 1.00 C ATOM 1049 CG LYS A 66 -8.918 1.474 -3.812 1.00 1.00 C ATOM 1050 CD LYS A 66 -10.423 1.240 -4.137 1.00 1.00 C ATOM 1051 CE LYS A 66 -11.199 0.645 -2.933 1.00 1.00 C ATOM 1052 NZ LYS A 66 -12.665 0.802 -3.172 1.00 1.00 N ATOM 0 H LYS A 66 -7.270 1.842 -2.010 1.00 1.00 H new ATOM 0 HA LYS A 66 -6.203 -0.603 -3.068 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -8.366 -0.559 -4.362 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -8.607 -0.335 -2.641 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -8.827 2.126 -2.943 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -8.438 1.986 -4.646 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -10.880 2.185 -4.430 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -10.508 0.567 -4.990 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -10.949 -0.409 -2.808 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -10.911 1.152 -2.012 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -13.192 0.405 -2.368 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -12.894 1.811 -3.272 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -12.931 0.299 -4.043 1.00 1.00 H new ATOM 1066 N TYR A 67 -5.583 -0.161 -5.459 1.00 1.00 N ATOM 1067 CA TYR A 67 -4.955 0.132 -6.752 1.00 1.00 C ATOM 1068 C TYR A 67 -6.045 0.311 -7.818 1.00 1.00 C ATOM 1069 O TYR A 67 -6.815 -0.602 -8.120 1.00 1.00 O ATOM 1070 CB TYR A 67 -4.012 -1.028 -7.147 1.00 1.00 C ATOM 1071 CG TYR A 67 -3.296 -0.709 -8.476 1.00 1.00 C ATOM 1072 CD1 TYR A 67 -3.892 -1.058 -9.706 1.00 1.00 C ATOM 1073 CD2 TYR A 67 -2.048 -0.054 -8.476 1.00 1.00 C ATOM 1074 CE1 TYR A 67 -3.246 -0.758 -10.912 1.00 1.00 C ATOM 1075 CE2 TYR A 67 -1.408 0.243 -9.688 1.00 1.00 C ATOM 1076 CZ TYR A 67 -2.005 -0.109 -10.902 1.00 1.00 C ATOM 1077 OH TYR A 67 -1.373 0.188 -12.093 1.00 1.00 O ATOM 0 H TYR A 67 -5.652 -1.155 -5.241 1.00 1.00 H new ATOM 0 HA TYR A 67 -4.373 1.050 -6.677 1.00 1.00 H new ATOM 0 HB2 TYR A 67 -3.276 -1.191 -6.360 1.00 1.00 H new ATOM 0 HB3 TYR A 67 -4.583 -1.951 -7.246 1.00 1.00 H new ATOM 0 HD1 TYR A 67 -4.849 -1.558 -9.718 1.00 1.00 H new ATOM 0 HD2 TYR A 67 -1.583 0.220 -7.540 1.00 1.00 H new ATOM 0 HE1 TYR A 67 -3.706 -1.028 -11.851 1.00 1.00 H new ATOM 0 HE2 TYR A 67 -0.452 0.745 -9.683 1.00 1.00 H new ATOM 0 HH TYR A 67 -0.523 0.639 -11.909 1.00 1.00 H new ATOM 1087 N ASN A 68 -6.091 1.503 -8.404 1.00 1.00 N ATOM 1088 CA ASN A 68 -7.087 1.802 -9.446 1.00 1.00 C ATOM 1089 C ASN A 68 -6.585 2.924 -10.350 1.00 1.00 C ATOM 1090 O ASN A 68 -5.832 3.795 -9.914 1.00 1.00 O ATOM 1091 CB ASN A 68 -8.426 2.193 -8.781 1.00 1.00 C ATOM 1092 CG ASN A 68 -8.230 3.370 -7.826 1.00 1.00 C ATOM 1093 OD1 ASN A 68 -7.179 4.005 -7.824 1.00 1.00 O ATOM 1094 ND2 ASN A 68 -9.188 3.701 -7.005 1.00 1.00 N ATOM 0 H ASN A 68 -5.461 2.275 -8.184 1.00 1.00 H new ATOM 0 HA ASN A 68 -7.244 0.916 -10.062 1.00 1.00 H new ATOM 0 HB2 ASN A 68 -9.155 2.457 -9.547 1.00 1.00 H new ATOM 0 HB3 ASN A 68 -8.831 1.340 -8.237 1.00 1.00 H new ATOM 0 HD21 ASN A 68 -9.063 4.485 -6.364 1.00 1.00 H new ATOM 0 HD22 ASN A 68 -10.063 3.176 -7.004 1.00 1.00 H new ATOM 1101 N ASP A 69 -7.014 2.890 -11.606 1.00 1.00 N ATOM 1102 CA ASP A 69 -6.609 3.903 -12.586 1.00 1.00 C ATOM 1103 C ASP A 69 -6.758 5.333 -12.031 1.00 1.00 C ATOM 1104 O ASP A 69 -6.140 6.272 -12.531 1.00 1.00 O ATOM 1105 CB ASP A 69 -7.448 3.746 -13.867 1.00 1.00 C ATOM 1106 CG ASP A 69 -7.319 2.319 -14.404 1.00 1.00 C ATOM 1107 OD1 ASP A 69 -6.206 1.819 -14.428 1.00 1.00 O ATOM 1108 OD2 ASP A 69 -8.330 1.751 -14.779 1.00 1.00 O ATOM 0 H ASP A 69 -7.641 2.175 -11.974 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.554 3.748 -12.812 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -8.494 3.971 -13.657 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -7.113 4.459 -14.621 1.00 1.00 H new ATOM 1113 N ASP A 70 -7.583 5.494 -11.001 1.00 1.00 N ATOM 1114 CA ASP A 70 -7.805 6.809 -10.376 1.00 1.00 C ATOM 1115 C ASP A 70 -6.603 7.205 -9.507 1.00 1.00 C ATOM 1116 O ASP A 70 -6.077 8.311 -9.625 1.00 1.00 O ATOM 1117 CB ASP A 70 -9.090 6.778 -9.523 1.00 1.00 C ATOM 1118 CG ASP A 70 -9.419 8.179 -8.986 1.00 1.00 C ATOM 1119 OD1 ASP A 70 -9.764 9.030 -9.790 1.00 1.00 O ATOM 1120 OD2 ASP A 70 -9.310 8.379 -7.787 1.00 1.00 O ATOM 0 H ASP A 70 -8.113 4.734 -10.575 1.00 1.00 H new ATOM 0 HA ASP A 70 -7.919 7.553 -11.165 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -9.922 6.408 -10.123 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -8.964 6.085 -8.691 1.00 1.00 H new ATOM 1125 N ASN A 71 -6.168 6.309 -8.627 1.00 1.00 N ATOM 1126 CA ASN A 71 -5.018 6.579 -7.746 1.00 1.00 C ATOM 1127 C ASN A 71 -3.752 6.707 -8.596 1.00 1.00 C ATOM 1128 O ASN A 71 -2.838 7.464 -8.270 1.00 1.00 O ATOM 1129 CB ASN A 71 -4.874 5.470 -6.693 1.00 1.00 C ATOM 1130 CG ASN A 71 -6.083 5.464 -5.755 1.00 1.00 C ATOM 1131 OD1 ASN A 71 -6.602 4.401 -5.417 1.00 1.00 O ATOM 1132 ND2 ASN A 71 -6.558 6.595 -5.305 1.00 1.00 N ATOM 0 H ASN A 71 -6.588 5.388 -8.499 1.00 1.00 H new ATOM 0 HA ASN A 71 -5.178 7.516 -7.213 1.00 1.00 H new ATOM 0 HB2 ASN A 71 -4.783 4.502 -7.185 1.00 1.00 H new ATOM 0 HB3 ASN A 71 -3.961 5.622 -6.118 1.00 1.00 H new ATOM 0 HD21 ASN A 71 -7.359 6.597 -4.674 1.00 1.00 H new ATOM 0 HD22 ASN A 71 -6.128 7.476 -5.585 1.00 1.00 H new ATOM 1139 N VAL A 72 -3.718 5.979 -9.709 1.00 1.00 N ATOM 1140 CA VAL A 72 -2.575 6.046 -10.635 1.00 1.00 C ATOM 1141 C VAL A 72 -2.572 7.448 -11.256 1.00 1.00 C ATOM 1142 O VAL A 72 -1.526 8.084 -11.385 1.00 1.00 O ATOM 1143 CB VAL A 72 -2.694 4.952 -11.727 1.00 1.00 C ATOM 1144 CG1 VAL A 72 -1.552 5.073 -12.779 1.00 1.00 C ATOM 1145 CG2 VAL A 72 -2.634 3.550 -11.067 1.00 1.00 C ATOM 0 H VAL A 72 -4.459 5.339 -9.996 1.00 1.00 H new ATOM 0 HA VAL A 72 -1.639 5.867 -10.106 1.00 1.00 H new ATOM 0 HB VAL A 72 -3.647 5.088 -12.238 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -1.665 4.291 -13.530 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -1.603 6.049 -13.261 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -0.587 4.963 -12.283 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -2.718 2.782 -11.836 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -1.686 3.435 -10.542 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -3.456 3.446 -10.359 1.00 1.00 H new ATOM 1155 N LYS A 73 -3.755 7.921 -11.634 1.00 1.00 N ATOM 1156 CA LYS A 73 -3.920 9.247 -12.239 1.00 1.00 C ATOM 1157 C LYS A 73 -3.403 10.320 -11.273 1.00 1.00 C ATOM 1158 O LYS A 73 -2.769 11.285 -11.698 1.00 1.00 O ATOM 1159 CB LYS A 73 -5.414 9.478 -12.572 1.00 1.00 C ATOM 1160 CG LYS A 73 -5.637 10.812 -13.327 1.00 1.00 C ATOM 1161 CD LYS A 73 -7.146 10.989 -13.635 1.00 1.00 C ATOM 1162 CE LYS A 73 -7.395 12.307 -14.387 1.00 1.00 C ATOM 1163 NZ LYS A 73 -6.685 12.272 -15.694 1.00 1.00 N ATOM 0 H LYS A 73 -4.627 7.401 -11.532 1.00 1.00 H new ATOM 0 HA LYS A 73 -3.344 9.309 -13.163 1.00 1.00 H new ATOM 0 HB2 LYS A 73 -5.783 8.651 -13.179 1.00 1.00 H new ATOM 0 HB3 LYS A 73 -5.995 9.481 -11.650 1.00 1.00 H new ATOM 0 HG2 LYS A 73 -5.278 11.647 -12.725 1.00 1.00 H new ATOM 0 HG3 LYS A 73 -5.063 10.817 -14.254 1.00 1.00 H new ATOM 0 HD2 LYS A 73 -7.501 10.150 -14.233 1.00 1.00 H new ATOM 0 HD3 LYS A 73 -7.716 10.981 -12.706 1.00 1.00 H new ATOM 0 HE2 LYS A 73 -8.464 12.452 -14.545 1.00 1.00 H new ATOM 0 HE3 LYS A 73 -7.043 13.150 -13.792 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 -7.070 13.009 -16.318 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 -5.670 12.442 -15.542 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 -6.818 11.340 -16.136 1.00 1.00 H new ATOM 1177 N ARG A 74 -3.660 10.150 -9.980 1.00 1.00 N ATOM 1178 CA ARG A 74 -3.200 11.103 -8.961 1.00 1.00 C ATOM 1179 C ARG A 74 -1.667 11.130 -8.946 1.00 1.00 C ATOM 1180 O ARG A 74 -1.063 12.194 -8.806 1.00 1.00 O ATOM 1181 CB ARG A 74 -3.749 10.722 -7.556 1.00 1.00 C ATOM 1182 CG ARG A 74 -5.278 10.955 -7.490 1.00 1.00 C ATOM 1183 CD ARG A 74 -5.827 10.588 -6.099 1.00 1.00 C ATOM 1184 NE ARG A 74 -7.279 10.806 -6.076 1.00 1.00 N ATOM 1185 CZ ARG A 74 -8.026 10.553 -4.994 1.00 1.00 C ATOM 1186 NH1 ARG A 74 -7.481 10.101 -3.897 1.00 1.00 N ATOM 1187 NH2 ARG A 74 -9.313 10.760 -5.039 1.00 1.00 N ATOM 0 H ARG A 74 -4.186 9.360 -9.606 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.578 12.095 -9.209 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.525 9.677 -7.343 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -3.251 11.317 -6.791 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -5.501 11.999 -7.710 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -5.775 10.355 -8.252 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -5.601 9.547 -5.869 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -5.345 11.195 -5.333 1.00 1.00 H new ATOM 0 HE ARG A 74 -7.735 11.163 -6.915 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -6.475 9.937 -3.857 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -8.061 9.912 -3.080 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -9.743 11.112 -5.894 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -9.889 10.570 -4.219 1.00 1.00 H new ATOM 1201 N ARG A 75 -1.035 9.971 -9.101 1.00 1.00 N ATOM 1202 CA ARG A 75 0.437 9.894 -9.129 1.00 1.00 C ATOM 1203 C ARG A 75 0.940 10.645 -10.365 1.00 1.00 C ATOM 1204 O ARG A 75 1.924 11.381 -10.306 1.00 1.00 O ATOM 1205 CB ARG A 75 0.911 8.418 -9.145 1.00 1.00 C ATOM 1206 CG ARG A 75 2.461 8.332 -9.079 1.00 1.00 C ATOM 1207 CD ARG A 75 2.912 6.857 -9.002 1.00 1.00 C ATOM 1208 NE ARG A 75 2.518 6.151 -10.227 1.00 1.00 N ATOM 1209 CZ ARG A 75 2.720 4.838 -10.393 1.00 1.00 C ATOM 1210 NH1 ARG A 75 3.289 4.125 -9.457 1.00 1.00 N ATOM 1211 NH2 ARG A 75 2.345 4.266 -11.504 1.00 1.00 N ATOM 0 H ARG A 75 -1.507 9.073 -9.209 1.00 1.00 H new ATOM 0 HA ARG A 75 0.847 10.355 -8.230 1.00 1.00 H new ATOM 0 HB2 ARG A 75 0.477 7.883 -8.300 1.00 1.00 H new ATOM 0 HB3 ARG A 75 0.554 7.927 -10.050 1.00 1.00 H new ATOM 0 HG2 ARG A 75 2.896 8.807 -9.958 1.00 1.00 H new ATOM 0 HG3 ARG A 75 2.826 8.877 -8.208 1.00 1.00 H new ATOM 0 HD2 ARG A 75 3.993 6.804 -8.873 1.00 1.00 H new ATOM 0 HD3 ARG A 75 2.463 6.375 -8.133 1.00 1.00 H new ATOM 0 HE ARG A 75 2.075 6.679 -10.978 1.00 1.00 H new ATOM 0 HH11 ARG A 75 3.585 4.568 -8.587 1.00 1.00 H new ATOM 0 HH12 ARG A 75 3.437 3.125 -9.596 1.00 1.00 H new ATOM 0 HH21 ARG A 75 1.902 4.819 -12.238 1.00 1.00 H new ATOM 0 HH22 ARG A 75 2.495 3.266 -11.639 1.00 1.00 H new ATOM 1225 N GLN A 76 0.250 10.461 -11.486 1.00 1.00 N ATOM 1226 CA GLN A 76 0.600 11.145 -12.739 1.00 1.00 C ATOM 1227 C GLN A 76 0.351 12.647 -12.563 1.00 1.00 C ATOM 1228 O GLN A 76 1.098 13.485 -13.070 1.00 1.00 O ATOM 1229 CB GLN A 76 -0.252 10.587 -13.907 1.00 1.00 C ATOM 1230 CG GLN A 76 0.136 9.120 -14.199 1.00 1.00 C ATOM 1231 CD GLN A 76 -0.727 8.550 -15.328 1.00 1.00 C ATOM 1232 OE1 GLN A 76 -1.942 8.425 -15.177 1.00 1.00 O ATOM 1233 NE2 GLN A 76 -0.167 8.204 -16.456 1.00 1.00 N ATOM 0 H GLN A 76 -0.558 9.843 -11.559 1.00 1.00 H new ATOM 0 HA GLN A 76 1.650 10.974 -12.975 1.00 1.00 H new ATOM 0 HB2 GLN A 76 -1.311 10.647 -13.655 1.00 1.00 H new ATOM 0 HB3 GLN A 76 -0.101 11.195 -14.799 1.00 1.00 H new ATOM 0 HG2 GLN A 76 1.189 9.065 -14.475 1.00 1.00 H new ATOM 0 HG3 GLN A 76 0.010 8.519 -13.299 1.00 1.00 H new ATOM 0 HE21 GLN A 76 0.840 8.309 -16.579 1.00 1.00 H new ATOM 0 HE22 GLN A 76 -0.737 7.829 -17.214 1.00 1.00 H new ATOM 1242 N GLU A 77 -0.704 12.980 -11.827 1.00 1.00 N ATOM 1243 CA GLU A 77 -1.047 14.391 -11.569 1.00 1.00 C ATOM 1244 C GLU A 77 0.059 15.013 -10.702 1.00 1.00 C ATOM 1245 O GLU A 77 0.600 16.074 -11.017 1.00 1.00 O ATOM 1246 CB GLU A 77 -2.418 14.476 -10.848 1.00 1.00 C ATOM 1247 CG GLU A 77 -2.942 15.942 -10.780 1.00 1.00 C ATOM 1248 CD GLU A 77 -3.348 16.464 -12.166 1.00 1.00 C ATOM 1249 OE1 GLU A 77 -3.639 15.652 -13.032 1.00 1.00 O ATOM 1250 OE2 GLU A 77 -3.375 17.672 -12.332 1.00 1.00 O ATOM 0 H GLU A 77 -1.337 12.305 -11.398 1.00 1.00 H new ATOM 0 HA GLU A 77 -1.122 14.938 -12.509 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -3.144 13.854 -11.371 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -2.324 14.076 -9.839 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -3.798 15.992 -10.107 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -2.169 16.586 -10.361 1.00 1.00 H new ATOM 1257 N LEU A 78 0.399 14.321 -9.621 1.00 1.00 N ATOM 1258 CA LEU A 78 1.448 14.759 -8.695 1.00 1.00 C ATOM 1259 C LEU A 78 2.798 14.798 -9.429 1.00 1.00 C ATOM 1260 O LEU A 78 3.621 15.687 -9.209 1.00 1.00 O ATOM 1261 CB LEU A 78 1.503 13.778 -7.491 1.00 1.00 C ATOM 1262 CG LEU A 78 0.230 13.911 -6.560 1.00 1.00 C ATOM 1263 CD1 LEU A 78 0.031 12.615 -5.732 1.00 1.00 C ATOM 1264 CD2 LEU A 78 0.386 15.104 -5.565 1.00 1.00 C ATOM 0 H LEU A 78 -0.042 13.440 -9.358 1.00 1.00 H new ATOM 0 HA LEU A 78 1.229 15.760 -8.325 1.00 1.00 H new ATOM 0 HB2 LEU A 78 1.577 12.755 -7.860 1.00 1.00 H new ATOM 0 HB3 LEU A 78 2.402 13.972 -6.906 1.00 1.00 H new ATOM 0 HG LEU A 78 -0.630 14.084 -7.207 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -0.848 12.721 -5.096 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -0.108 11.770 -6.406 1.00 1.00 H new ATOM 0 HD13 LEU A 78 0.910 12.442 -5.110 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -0.502 15.173 -4.937 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.262 14.942 -4.937 1.00 1.00 H new ATOM 0 HD23 LEU A 78 0.507 16.031 -6.125 1.00 1.00 H new ATOM 1276 N ALA A 79 3.012 13.829 -10.311 1.00 1.00 N ATOM 1277 CA ALA A 79 4.269 13.762 -11.077 1.00 1.00 C ATOM 1278 C ALA A 79 4.446 15.040 -11.907 1.00 1.00 C ATOM 1279 O ALA A 79 5.551 15.573 -12.006 1.00 1.00 O ATOM 1280 CB ALA A 79 4.281 12.521 -11.976 1.00 1.00 C ATOM 0 H ALA A 79 2.347 13.084 -10.518 1.00 1.00 H new ATOM 0 HA ALA A 79 5.104 13.683 -10.381 1.00 1.00 H new ATOM 0 HB1 ALA A 79 5.216 12.486 -12.535 1.00 1.00 H new ATOM 0 HB2 ALA A 79 4.192 11.625 -11.361 1.00 1.00 H new ATOM 0 HB3 ALA A 79 3.443 12.568 -12.672 1.00 1.00 H new ATOM 1286 N ARG A 80 3.355 15.547 -12.470 1.00 1.00 N ATOM 1287 CA ARG A 80 3.393 16.784 -13.263 1.00 1.00 C ATOM 1288 C ARG A 80 3.752 17.958 -12.348 1.00 1.00 C ATOM 1289 O ARG A 80 4.560 18.813 -12.713 1.00 1.00 O ATOM 1290 CB ARG A 80 2.016 17.017 -13.948 1.00 1.00 C ATOM 1291 CG ARG A 80 1.716 15.905 -15.027 1.00 1.00 C ATOM 1292 CD ARG A 80 2.258 16.304 -16.417 1.00 1.00 C ATOM 1293 NE ARG A 80 1.555 17.505 -16.895 1.00 1.00 N ATOM 1294 CZ ARG A 80 0.289 17.464 -17.348 1.00 1.00 C ATOM 1295 NH1 ARG A 80 -0.349 16.325 -17.434 1.00 1.00 N ATOM 1296 NH2 ARG A 80 -0.307 18.568 -17.712 1.00 1.00 N ATOM 0 H ARG A 80 2.429 15.125 -12.396 1.00 1.00 H new ATOM 0 HA ARG A 80 4.150 16.700 -14.043 1.00 1.00 H new ATOM 0 HB2 ARG A 80 1.228 17.017 -13.195 1.00 1.00 H new ATOM 0 HB3 ARG A 80 2.005 17.999 -14.422 1.00 1.00 H new ATOM 0 HG2 ARG A 80 2.168 14.963 -14.716 1.00 1.00 H new ATOM 0 HG3 ARG A 80 0.641 15.737 -15.089 1.00 1.00 H new ATOM 0 HD2 ARG A 80 3.329 16.496 -16.359 1.00 1.00 H new ATOM 0 HD3 ARG A 80 2.119 15.484 -17.122 1.00 1.00 H new ATOM 0 HE ARG A 80 2.045 18.400 -16.882 1.00 1.00 H new ATOM 0 HH11 ARG A 80 0.113 15.459 -17.156 1.00 1.00 H new ATOM 0 HH12 ARG A 80 -1.309 16.303 -17.779 1.00 1.00 H new ATOM 0 HH21 ARG A 80 0.188 19.458 -17.652 1.00 1.00 H new ATOM 0 HH22 ARG A 80 -1.267 18.540 -18.056 1.00 1.00 H new ATOM 1310 N GLN A 81 3.169 17.987 -11.154 1.00 1.00 N ATOM 1311 CA GLN A 81 3.437 19.043 -10.172 1.00 1.00 C ATOM 1312 C GLN A 81 4.893 18.970 -9.721 1.00 1.00 C ATOM 1313 O GLN A 81 5.555 19.997 -9.570 1.00 1.00 O ATOM 1314 CB GLN A 81 2.501 18.870 -8.952 1.00 1.00 C ATOM 1315 CG GLN A 81 1.031 19.085 -9.370 1.00 1.00 C ATOM 1316 CD GLN A 81 0.102 18.879 -8.171 1.00 1.00 C ATOM 1317 OE1 GLN A 81 0.344 19.429 -7.097 1.00 1.00 O ATOM 1318 NE2 GLN A 81 -0.944 18.108 -8.289 1.00 1.00 N ATOM 0 H GLN A 81 2.500 17.285 -10.837 1.00 1.00 H new ATOM 0 HA GLN A 81 3.253 20.015 -10.630 1.00 1.00 H new ATOM 0 HB2 GLN A 81 2.624 17.873 -8.529 1.00 1.00 H new ATOM 0 HB3 GLN A 81 2.773 19.582 -8.173 1.00 1.00 H new ATOM 0 HG2 GLN A 81 0.903 20.091 -9.769 1.00 1.00 H new ATOM 0 HG3 GLN A 81 0.767 18.390 -10.167 1.00 1.00 H new ATOM 0 HE21 GLN A 81 -1.144 17.652 -9.179 1.00 1.00 H new ATOM 0 HE22 GLN A 81 -1.562 17.961 -7.491 1.00 1.00 H new ATOM 1327 N CYS A 82 5.397 17.759 -9.508 1.00 1.00 N ATOM 1328 CA CYS A 82 6.777 17.542 -9.076 1.00 1.00 C ATOM 1329 C CYS A 82 7.759 18.065 -10.119 1.00 1.00 C ATOM 1330 O CYS A 82 8.797 18.631 -9.780 1.00 1.00 O ATOM 1331 CB CYS A 82 7.004 16.044 -8.840 1.00 1.00 C ATOM 1332 SG CYS A 82 8.666 15.777 -8.174 1.00 1.00 S ATOM 0 H CYS A 82 4.862 16.899 -9.629 1.00 1.00 H new ATOM 0 HA CYS A 82 6.948 18.088 -8.148 1.00 1.00 H new ATOM 0 HB2 CYS A 82 6.257 15.658 -8.146 1.00 1.00 H new ATOM 0 HB3 CYS A 82 6.884 15.496 -9.775 1.00 1.00 H new ATOM 0 HG CYS A 82 9.434 16.770 -8.513 1.00 1.00 H new