USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 41 LYS NZ :NH3+ -136:sc= -0.0918 (180deg=-1.64!) USER MOD Set 2.1: A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 154:sc= -2.63! USER MOD Single : A 16 LYS NZ :NH3+ -108:sc= -0.784 (180deg=-2.01!) USER MOD Single : A 22 GLN : amide:sc= -17.2! C(o=-17!,f=-11!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0261 USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 0.233 (180deg=0.188) USER MOD Single : A 29 LYS NZ :NH3+ 145:sc= -0.644 (180deg=-1.9!) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 3:sc= 1.03 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 55 LYS NZ :NH3+ 179:sc= -0.0173 (180deg=-0.0189) USER MOD Single : A 56 ASN : amide:sc= -1.98! K(o=-2!,f=-1.4) USER MOD Single : A 62 SER OG : rot 179:sc= -3.85! USER MOD Single : A 67 GLN : amide:sc= -15.5! C(o=-15!,f=-21!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N GLU A 4 -15.717 1.722 -2.716 1.00 0.00 N ATOM 66 CA GLU A 4 -14.872 2.700 -1.981 1.00 0.00 C ATOM 67 C GLU A 4 -14.366 2.081 -0.686 1.00 0.00 C ATOM 68 O GLU A 4 -13.900 2.774 0.187 1.00 0.00 O ATOM 69 CB GLU A 4 -15.690 3.953 -1.667 1.00 0.00 C ATOM 70 CG GLU A 4 -15.271 5.083 -2.609 1.00 0.00 C ATOM 71 CD GLU A 4 -14.739 6.261 -1.789 1.00 0.00 C ATOM 72 OE1 GLU A 4 -13.580 6.220 -1.412 1.00 0.00 O ATOM 73 OE2 GLU A 4 -15.502 7.184 -1.553 1.00 0.00 O ATOM 0 HA GLU A 4 -14.019 2.971 -2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.754 3.744 -1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.534 4.252 -0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.504 4.730 -3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.121 5.401 -3.213 1.00 0.00 H new ATOM 80 N GLU A 5 -14.432 0.786 -0.549 1.00 0.00 N ATOM 81 CA GLU A 5 -13.924 0.167 0.697 1.00 0.00 C ATOM 82 C GLU A 5 -12.391 0.148 0.654 1.00 0.00 C ATOM 83 O GLU A 5 -11.742 -0.380 1.536 1.00 0.00 O ATOM 84 CB GLU A 5 -14.447 -1.263 0.819 1.00 0.00 C ATOM 85 CG GLU A 5 -15.075 -1.460 2.198 1.00 0.00 C ATOM 86 CD GLU A 5 -14.470 -2.695 2.867 1.00 0.00 C ATOM 87 OE1 GLU A 5 -14.975 -3.780 2.630 1.00 0.00 O ATOM 88 OE2 GLU A 5 -13.511 -2.536 3.604 1.00 0.00 O ATOM 0 H GLU A 5 -14.812 0.139 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.266 0.744 1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.184 -1.460 0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.633 -1.973 0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.903 -0.579 2.816 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.155 -1.578 2.103 1.00 0.00 H new ATOM 95 N LEU A 6 -11.809 0.727 -0.366 1.00 0.00 N ATOM 96 CA LEU A 6 -10.320 0.751 -0.466 1.00 0.00 C ATOM 97 C LEU A 6 -9.796 1.872 0.392 1.00 0.00 C ATOM 98 O LEU A 6 -8.734 1.781 0.973 1.00 0.00 O ATOM 99 CB LEU A 6 -9.856 0.946 -1.924 1.00 0.00 C ATOM 100 CG LEU A 6 -11.041 0.884 -2.896 1.00 0.00 C ATOM 101 CD1 LEU A 6 -11.644 2.281 -3.052 1.00 0.00 C ATOM 102 CD2 LEU A 6 -10.549 0.390 -4.260 1.00 0.00 C ATOM 0 H LEU A 6 -12.302 1.184 -1.133 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.929 -0.206 -0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.351 1.907 -2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.129 0.176 -2.183 1.00 0.00 H new ATOM 0 HG LEU A 6 -11.797 0.202 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -12.486 2.239 -3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -11.988 2.639 -2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -10.888 2.962 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -11.388 0.344 -4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -9.796 1.077 -4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -10.113 -0.603 -4.152 1.00 0.00 H new ATOM 114 N LYS A 7 -10.532 2.921 0.498 1.00 0.00 N ATOM 115 CA LYS A 7 -10.084 4.026 1.341 1.00 0.00 C ATOM 116 C LYS A 7 -10.122 3.574 2.805 1.00 0.00 C ATOM 117 O LYS A 7 -9.379 4.058 3.637 1.00 0.00 O ATOM 118 CB LYS A 7 -11.029 5.181 1.060 1.00 0.00 C ATOM 119 CG LYS A 7 -11.439 5.903 2.356 1.00 0.00 C ATOM 120 CD LYS A 7 -12.461 5.051 3.148 1.00 0.00 C ATOM 121 CE LYS A 7 -13.352 4.238 2.202 1.00 0.00 C ATOM 122 NZ LYS A 7 -14.514 3.693 2.957 1.00 0.00 N ATOM 0 H LYS A 7 -11.429 3.058 0.033 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.060 4.338 1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.549 5.889 0.384 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.919 4.809 0.552 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.558 6.090 2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.873 6.874 2.117 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.932 4.378 3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.080 5.701 3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.700 4.868 1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.780 3.424 1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.118 3.142 2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.173 3.079 3.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.064 4.478 3.361 1.00 0.00 H new ATOM 136 N GLY A 8 -10.999 2.657 3.116 1.00 0.00 N ATOM 137 CA GLY A 8 -11.118 2.159 4.522 1.00 0.00 C ATOM 138 C GLY A 8 -10.007 1.148 4.790 1.00 0.00 C ATOM 139 O GLY A 8 -10.227 -0.046 4.832 1.00 0.00 O ATOM 0 H GLY A 8 -11.644 2.227 2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.046 2.991 5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.093 1.696 4.676 1.00 0.00 H new ATOM 143 N ILE A 9 -8.809 1.625 4.949 1.00 0.00 N ATOM 144 CA ILE A 9 -7.656 0.725 5.187 1.00 0.00 C ATOM 145 C ILE A 9 -6.406 1.559 4.982 1.00 0.00 C ATOM 146 O ILE A 9 -5.771 2.010 5.911 1.00 0.00 O ATOM 147 CB ILE A 9 -7.702 -0.438 4.175 1.00 0.00 C ATOM 148 CG1 ILE A 9 -6.297 -1.005 3.897 1.00 0.00 C ATOM 149 CG2 ILE A 9 -8.336 0.019 2.860 1.00 0.00 C ATOM 150 CD1 ILE A 9 -6.123 -2.318 4.661 1.00 0.00 C ATOM 0 H ILE A 9 -8.577 2.618 4.923 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.673 0.300 6.191 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.310 -1.227 4.618 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.165 -1.172 2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.535 -0.288 4.204 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.360 -0.815 2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.353 0.365 3.047 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.748 0.833 2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.130 -2.723 4.467 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.238 -2.135 5.729 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.877 -3.033 4.332 1.00 0.00 H new ATOM 162 N PHE A 10 -6.080 1.779 3.753 1.00 0.00 N ATOM 163 CA PHE A 10 -4.893 2.610 3.417 1.00 0.00 C ATOM 164 C PHE A 10 -4.872 3.848 4.301 1.00 0.00 C ATOM 165 O PHE A 10 -4.030 4.019 5.157 1.00 0.00 O ATOM 166 CB PHE A 10 -5.040 3.072 1.988 1.00 0.00 C ATOM 167 CG PHE A 10 -3.964 4.074 1.648 1.00 0.00 C ATOM 168 CD1 PHE A 10 -2.740 3.634 1.136 1.00 0.00 C ATOM 169 CD2 PHE A 10 -4.194 5.442 1.842 1.00 0.00 C ATOM 170 CE1 PHE A 10 -1.743 4.562 0.816 1.00 0.00 C ATOM 171 CE2 PHE A 10 -3.197 6.371 1.522 1.00 0.00 C ATOM 172 CZ PHE A 10 -1.970 5.931 1.010 1.00 0.00 C ATOM 0 H PHE A 10 -6.590 1.415 2.948 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.982 2.030 3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.977 2.218 1.314 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.023 3.520 1.843 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.564 2.579 0.988 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.140 5.780 2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.798 4.223 0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.374 7.426 1.670 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.199 6.647 0.765 1.00 0.00 H new ATOM 182 N GLU A 11 -5.800 4.721 4.060 1.00 0.00 N ATOM 183 CA GLU A 11 -5.882 5.987 4.839 1.00 0.00 C ATOM 184 C GLU A 11 -5.646 5.716 6.329 1.00 0.00 C ATOM 185 O GLU A 11 -5.027 6.507 7.013 1.00 0.00 O ATOM 186 CB GLU A 11 -7.269 6.612 4.632 1.00 0.00 C ATOM 187 CG GLU A 11 -8.324 5.802 5.390 1.00 0.00 C ATOM 188 CD GLU A 11 -8.461 6.342 6.815 1.00 0.00 C ATOM 189 OE1 GLU A 11 -8.874 7.480 6.958 1.00 0.00 O ATOM 190 OE2 GLU A 11 -8.153 5.607 7.738 1.00 0.00 O ATOM 0 H GLU A 11 -6.519 4.613 3.345 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.112 6.675 4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.269 7.644 4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.511 6.637 3.570 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.282 5.862 4.874 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.040 4.750 5.415 1.00 0.00 H new ATOM 197 N LYS A 12 -6.122 4.614 6.848 1.00 0.00 N ATOM 198 CA LYS A 12 -5.894 4.334 8.295 1.00 0.00 C ATOM 199 C LYS A 12 -4.395 4.133 8.518 1.00 0.00 C ATOM 200 O LYS A 12 -3.819 4.636 9.464 1.00 0.00 O ATOM 201 CB LYS A 12 -6.700 3.085 8.723 1.00 0.00 C ATOM 202 CG LYS A 12 -5.791 1.857 8.916 1.00 0.00 C ATOM 203 CD LYS A 12 -4.926 2.039 10.171 1.00 0.00 C ATOM 204 CE LYS A 12 -5.418 1.105 11.277 1.00 0.00 C ATOM 205 NZ LYS A 12 -4.324 0.169 11.660 1.00 0.00 N ATOM 0 H LYS A 12 -6.651 3.905 6.340 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.235 5.170 8.905 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.230 3.295 9.652 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.455 2.863 7.969 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.397 0.956 9.009 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.154 1.724 8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.883 1.826 9.939 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.972 3.074 10.509 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.735 1.685 12.144 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.287 0.544 10.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.658 -0.466 12.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.042 -0.393 10.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.507 0.712 12.004 1.00 0.00 H new ATOM 219 N TYR A 13 -3.761 3.393 7.650 1.00 0.00 N ATOM 220 CA TYR A 13 -2.302 3.142 7.791 1.00 0.00 C ATOM 221 C TYR A 13 -1.515 4.434 7.584 1.00 0.00 C ATOM 222 O TYR A 13 -0.301 4.448 7.647 1.00 0.00 O ATOM 223 CB TYR A 13 -1.870 2.091 6.770 1.00 0.00 C ATOM 224 CG TYR A 13 -2.016 0.741 7.415 1.00 0.00 C ATOM 225 CD1 TYR A 13 -0.986 0.243 8.217 1.00 0.00 C ATOM 226 CD2 TYR A 13 -3.193 0.007 7.246 1.00 0.00 C ATOM 227 CE1 TYR A 13 -1.129 -0.992 8.856 1.00 0.00 C ATOM 228 CE2 TYR A 13 -3.337 -1.233 7.879 1.00 0.00 C ATOM 229 CZ TYR A 13 -2.306 -1.731 8.686 1.00 0.00 C ATOM 230 OH TYR A 13 -2.454 -2.947 9.320 1.00 0.00 O ATOM 0 H TYR A 13 -4.197 2.948 6.842 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.097 2.776 8.797 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.485 2.154 5.872 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.838 2.258 6.462 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.078 0.813 8.343 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.989 0.395 6.629 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.334 -1.375 9.479 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.243 -1.806 7.745 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.407 -3.132 9.454 1.00 0.00 H new ATOM 240 N ASP A 15 -2.195 5.526 7.363 1.00 0.00 N ATOM 241 CA ASP A 15 -1.505 6.814 7.187 1.00 0.00 C ATOM 242 C ASP A 15 -1.255 7.405 8.576 1.00 0.00 C ATOM 243 O ASP A 15 -1.524 8.563 8.826 1.00 0.00 O ATOM 244 CB ASP A 15 -2.415 7.744 6.387 1.00 0.00 C ATOM 245 CG ASP A 15 -1.573 8.592 5.432 1.00 0.00 C ATOM 246 OD1 ASP A 15 -0.383 8.343 5.343 1.00 0.00 O ATOM 247 OD2 ASP A 15 -2.134 9.476 4.806 1.00 0.00 O ATOM 0 H ASP A 15 -3.212 5.570 7.298 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.560 6.688 6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.144 7.160 5.824 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.977 8.389 7.063 1.00 0.00 H new ATOM 252 N LYS A 16 -0.754 6.610 9.488 1.00 0.00 N ATOM 253 CA LYS A 16 -0.497 7.111 10.870 1.00 0.00 C ATOM 254 C LYS A 16 0.806 7.930 10.905 1.00 0.00 C ATOM 255 O LYS A 16 1.510 7.945 11.896 1.00 0.00 O ATOM 256 CB LYS A 16 -0.372 5.919 11.836 1.00 0.00 C ATOM 257 CG LYS A 16 -1.099 4.685 11.275 1.00 0.00 C ATOM 258 CD LYS A 16 -1.382 3.698 12.409 1.00 0.00 C ATOM 259 CE LYS A 16 -2.381 4.316 13.388 1.00 0.00 C ATOM 260 NZ LYS A 16 -1.653 4.829 14.583 1.00 0.00 N ATOM 0 H LYS A 16 -0.511 5.632 9.333 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.328 7.747 11.174 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.680 5.685 11.998 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.792 6.185 12.806 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.032 4.985 10.799 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.489 4.208 10.508 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.781 2.768 12.004 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.456 3.448 12.927 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.926 5.127 12.905 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.118 3.572 13.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.848 4.214 15.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.631 4.835 14.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.971 5.796 14.795 1.00 0.00 H new ATOM 274 N GLU A 17 1.131 8.619 9.840 1.00 0.00 N ATOM 275 CA GLU A 17 2.376 9.438 9.818 1.00 0.00 C ATOM 276 C GLU A 17 2.015 10.901 9.542 1.00 0.00 C ATOM 277 O GLU A 17 2.708 11.811 9.951 1.00 0.00 O ATOM 278 CB GLU A 17 3.295 8.929 8.713 1.00 0.00 C ATOM 279 CG GLU A 17 4.241 7.887 9.296 1.00 0.00 C ATOM 280 CD GLU A 17 5.433 8.585 9.956 1.00 0.00 C ATOM 281 OE1 GLU A 17 5.246 9.156 11.017 1.00 0.00 O ATOM 282 OE2 GLU A 17 6.511 8.536 9.388 1.00 0.00 O ATOM 0 H GLU A 17 0.582 8.648 8.981 1.00 0.00 H new ATOM 0 HA GLU A 17 2.882 9.361 10.780 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.707 8.494 7.905 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.863 9.755 8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.715 7.274 10.028 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.589 7.217 8.510 1.00 0.00 H new ATOM 289 N GLY A 18 0.932 11.128 8.850 1.00 0.00 N ATOM 290 CA GLY A 18 0.512 12.517 8.539 1.00 0.00 C ATOM 291 C GLY A 18 1.171 12.984 7.238 1.00 0.00 C ATOM 292 O GLY A 18 1.477 14.148 7.074 1.00 0.00 O ATOM 0 H GLY A 18 0.317 10.401 8.485 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.573 12.565 8.445 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.791 13.182 9.357 1.00 0.00 H new ATOM 296 N ASP A 19 1.397 12.089 6.309 1.00 0.00 N ATOM 297 CA ASP A 19 2.044 12.506 5.031 1.00 0.00 C ATOM 298 C ASP A 19 1.040 12.452 3.869 1.00 0.00 C ATOM 299 O ASP A 19 1.325 12.906 2.777 1.00 0.00 O ATOM 300 CB ASP A 19 3.225 11.588 4.731 1.00 0.00 C ATOM 301 CG ASP A 19 3.990 11.294 6.023 1.00 0.00 C ATOM 302 OD1 ASP A 19 4.112 12.198 6.833 1.00 0.00 O ATOM 303 OD2 ASP A 19 4.441 10.172 6.179 1.00 0.00 O ATOM 0 H ASP A 19 1.164 11.099 6.380 1.00 0.00 H new ATOM 0 HA ASP A 19 2.395 13.532 5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.871 10.658 4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.887 12.057 4.003 1.00 0.00 H new ATOM 308 N GLY A 20 -0.125 11.903 4.083 1.00 0.00 N ATOM 309 CA GLY A 20 -1.129 11.827 2.983 1.00 0.00 C ATOM 310 C GLY A 20 -0.954 10.505 2.241 1.00 0.00 C ATOM 311 O GLY A 20 -1.907 9.884 1.811 1.00 0.00 O ATOM 0 H GLY A 20 -0.425 11.504 4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.138 11.900 3.389 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.000 12.664 2.297 1.00 0.00 H new ATOM 315 N GLN A 22 0.264 10.072 2.093 1.00 0.00 N ATOM 316 CA GLN A 22 0.533 8.802 1.385 1.00 0.00 C ATOM 317 C GLN A 22 1.372 7.894 2.285 1.00 0.00 C ATOM 318 O GLN A 22 1.477 8.125 3.474 1.00 0.00 O ATOM 319 CB GLN A 22 1.231 9.122 0.056 1.00 0.00 C ATOM 320 CG GLN A 22 2.427 10.040 0.310 1.00 0.00 C ATOM 321 CD GLN A 22 3.575 9.250 0.942 1.00 0.00 C ATOM 322 OE1 GLN A 22 4.264 9.748 1.809 1.00 0.00 O ATOM 323 NE2 GLN A 22 3.815 8.034 0.538 1.00 0.00 N ATOM 0 H GLN A 22 1.094 10.554 2.439 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.391 8.270 1.158 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.563 8.201 -0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.531 9.602 -0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.757 10.487 -0.628 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.134 10.858 0.968 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.237 7.615 -0.190 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.581 7.502 0.950 1.00 0.00 H new ATOM 332 N LEU A 23 1.917 6.827 1.765 1.00 0.00 N ATOM 333 CA LEU A 23 2.667 5.899 2.649 1.00 0.00 C ATOM 334 C LEU A 23 4.137 5.782 2.314 1.00 0.00 C ATOM 335 O LEU A 23 4.503 5.352 1.237 1.00 0.00 O ATOM 336 CB LEU A 23 2.164 4.481 2.449 1.00 0.00 C ATOM 337 CG LEU A 23 0.689 4.330 2.735 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.333 2.892 2.362 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.424 4.548 4.228 1.00 0.00 C ATOM 0 H LEU A 23 1.875 6.563 0.781 1.00 0.00 H new ATOM 0 HA LEU A 23 2.524 6.307 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.362 4.173 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.725 3.808 3.098 1.00 0.00 H new ATOM 0 HG LEU A 23 0.098 5.054 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.727 2.720 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.548 2.726 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.924 2.203 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.642 4.438 4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.980 3.811 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.745 5.550 4.512 1.00 0.00 H new ATOM 351 N SER A 24 4.981 5.976 3.274 1.00 0.00 N ATOM 352 CA SER A 24 6.393 5.659 3.019 1.00 0.00 C ATOM 353 C SER A 24 6.362 4.144 3.188 1.00 0.00 C ATOM 354 O SER A 24 5.385 3.638 3.701 1.00 0.00 O ATOM 355 CB SER A 24 7.300 6.304 4.070 1.00 0.00 C ATOM 356 OG SER A 24 8.513 5.566 4.160 1.00 0.00 O ATOM 0 H SER A 24 4.759 6.332 4.204 1.00 0.00 H new ATOM 0 HA SER A 24 6.776 6.011 2.061 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.510 7.339 3.800 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.799 6.322 5.038 1.00 0.00 H new ATOM 0 HG SER A 24 9.097 5.977 4.831 1.00 0.00 H new ATOM 362 N LYS A 25 7.318 3.376 2.785 1.00 0.00 N ATOM 363 CA LYS A 25 7.110 1.917 3.013 1.00 0.00 C ATOM 364 C LYS A 25 6.855 1.660 4.498 1.00 0.00 C ATOM 365 O LYS A 25 6.352 0.621 4.877 1.00 0.00 O ATOM 366 CB LYS A 25 8.294 1.082 2.534 1.00 0.00 C ATOM 367 CG LYS A 25 7.906 0.381 1.248 1.00 0.00 C ATOM 368 CD LYS A 25 7.892 -1.129 1.487 1.00 0.00 C ATOM 369 CE LYS A 25 9.318 -1.628 1.722 1.00 0.00 C ATOM 370 NZ LYS A 25 9.980 -1.872 0.408 1.00 0.00 N ATOM 0 H LYS A 25 8.187 3.660 2.334 1.00 0.00 H new ATOM 0 HA LYS A 25 6.242 1.612 2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.163 1.719 2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.573 0.351 3.293 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.924 0.719 0.917 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.612 0.630 0.456 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.268 -1.364 2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.455 -1.639 0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.883 -0.893 2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.302 -2.546 2.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.980 -2.113 0.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.505 -2.659 -0.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.917 -1.014 -0.177 1.00 0.00 H new ATOM 384 N GLU A 26 7.178 2.598 5.344 1.00 0.00 N ATOM 385 CA GLU A 26 6.926 2.397 6.798 1.00 0.00 C ATOM 386 C GLU A 26 5.434 2.128 7.007 1.00 0.00 C ATOM 387 O GLU A 26 5.049 1.312 7.814 1.00 0.00 O ATOM 388 CB GLU A 26 7.328 3.659 7.566 1.00 0.00 C ATOM 389 CG GLU A 26 8.656 3.422 8.285 1.00 0.00 C ATOM 390 CD GLU A 26 9.790 4.060 7.480 1.00 0.00 C ATOM 391 OE1 GLU A 26 10.011 3.625 6.361 1.00 0.00 O ATOM 392 OE2 GLU A 26 10.418 4.970 7.995 1.00 0.00 O ATOM 0 H GLU A 26 7.603 3.491 5.093 1.00 0.00 H new ATOM 0 HA GLU A 26 7.511 1.553 7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.420 4.501 6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.554 3.920 8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.621 3.850 9.287 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.834 2.353 8.401 1.00 0.00 H new ATOM 399 N GLU A 27 4.597 2.828 6.287 1.00 0.00 N ATOM 400 CA GLU A 27 3.124 2.646 6.432 1.00 0.00 C ATOM 401 C GLU A 27 2.590 1.625 5.411 1.00 0.00 C ATOM 402 O GLU A 27 1.529 1.061 5.596 1.00 0.00 O ATOM 403 CB GLU A 27 2.442 3.998 6.215 1.00 0.00 C ATOM 404 CG GLU A 27 3.107 5.050 7.109 1.00 0.00 C ATOM 405 CD GLU A 27 2.031 5.882 7.811 1.00 0.00 C ATOM 406 OE1 GLU A 27 1.535 6.811 7.197 1.00 0.00 O ATOM 407 OE2 GLU A 27 1.726 5.577 8.953 1.00 0.00 O ATOM 0 H GLU A 27 4.875 3.526 5.597 1.00 0.00 H new ATOM 0 HA GLU A 27 2.908 2.267 7.431 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.518 4.293 5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.380 3.924 6.449 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.744 4.564 7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.749 5.697 6.511 1.00 0.00 H new ATOM 414 N LEU A 28 3.296 1.383 4.332 1.00 0.00 N ATOM 415 CA LEU A 28 2.789 0.399 3.320 1.00 0.00 C ATOM 416 C LEU A 28 3.097 -1.039 3.760 1.00 0.00 C ATOM 417 O LEU A 28 2.210 -1.857 3.874 1.00 0.00 O ATOM 418 CB LEU A 28 3.432 0.658 1.956 1.00 0.00 C ATOM 419 CG LEU A 28 2.859 -0.331 0.935 1.00 0.00 C ATOM 420 CD1 LEU A 28 1.785 0.363 0.096 1.00 0.00 C ATOM 421 CD2 LEU A 28 3.978 -0.827 0.015 1.00 0.00 C ATOM 0 H LEU A 28 4.191 1.818 4.109 1.00 0.00 H new ATOM 0 HA LEU A 28 1.709 0.524 3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.238 1.682 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.514 0.545 2.023 1.00 0.00 H new ATOM 0 HG LEU A 28 2.420 -1.177 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.378 -0.342 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.985 0.715 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.225 1.211 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.568 -1.530 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.419 0.020 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.744 -1.324 0.610 1.00 0.00 H new ATOM 433 N LYS A 29 4.340 -1.370 3.998 1.00 0.00 N ATOM 434 CA LYS A 29 4.665 -2.767 4.414 1.00 0.00 C ATOM 435 C LYS A 29 3.871 -3.173 5.671 1.00 0.00 C ATOM 436 O LYS A 29 3.930 -4.307 6.101 1.00 0.00 O ATOM 437 CB LYS A 29 6.168 -2.887 4.681 1.00 0.00 C ATOM 438 CG LYS A 29 6.520 -2.201 6.000 1.00 0.00 C ATOM 439 CD LYS A 29 8.041 -2.150 6.150 1.00 0.00 C ATOM 440 CE LYS A 29 8.446 -0.810 6.762 1.00 0.00 C ATOM 441 NZ LYS A 29 7.888 -0.705 8.140 1.00 0.00 N ATOM 0 H LYS A 29 5.138 -0.739 3.923 1.00 0.00 H new ATOM 0 HA LYS A 29 4.382 -3.441 3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.456 -3.937 4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.728 -2.432 3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.107 -1.193 6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.078 -2.744 6.835 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.383 -2.969 6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.518 -2.277 5.178 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.532 -0.724 6.790 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.078 0.010 6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.557 -0.189 8.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.983 -0.194 8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.735 -1.658 8.526 1.00 0.00 H new ATOM 455 N LEU A 30 3.128 -2.277 6.268 1.00 0.00 N ATOM 456 CA LEU A 30 2.343 -2.659 7.475 1.00 0.00 C ATOM 457 C LEU A 30 0.966 -3.173 7.044 1.00 0.00 C ATOM 458 O LEU A 30 0.480 -4.167 7.549 1.00 0.00 O ATOM 459 CB LEU A 30 2.163 -1.442 8.383 1.00 0.00 C ATOM 460 CG LEU A 30 3.490 -0.698 8.510 1.00 0.00 C ATOM 461 CD1 LEU A 30 3.321 0.473 9.481 1.00 0.00 C ATOM 462 CD2 LEU A 30 4.557 -1.653 9.048 1.00 0.00 C ATOM 0 H LEU A 30 3.032 -1.305 5.973 1.00 0.00 H new ATOM 0 HA LEU A 30 2.876 -3.440 8.017 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.401 -0.779 7.973 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.816 -1.758 9.367 1.00 0.00 H new ATOM 0 HG LEU A 30 3.795 -0.323 7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.266 1.007 9.575 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.557 1.152 9.103 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.019 0.095 10.458 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.506 -1.124 9.140 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.253 -2.025 10.026 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.674 -2.492 8.362 1.00 0.00 H new ATOM 474 N LEU A 31 0.326 -2.500 6.120 1.00 0.00 N ATOM 475 CA LEU A 31 -1.025 -2.951 5.670 1.00 0.00 C ATOM 476 C LEU A 31 -0.892 -4.160 4.738 1.00 0.00 C ATOM 477 O LEU A 31 -1.674 -5.087 4.807 1.00 0.00 O ATOM 478 CB LEU A 31 -1.762 -1.790 4.963 1.00 0.00 C ATOM 479 CG LEU A 31 -1.466 -1.762 3.453 1.00 0.00 C ATOM 480 CD1 LEU A 31 -2.566 -0.976 2.738 1.00 0.00 C ATOM 481 CD2 LEU A 31 -0.123 -1.075 3.203 1.00 0.00 C ATOM 0 H LEU A 31 0.680 -1.661 5.660 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.610 -3.251 6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.836 -1.891 5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.461 -0.842 5.410 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.430 -2.784 3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.360 -0.954 1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.529 -1.457 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.594 0.043 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.083 -1.057 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.160 -0.054 3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.667 -1.624 3.715 1.00 0.00 H new ATOM 493 N LEU A 32 0.087 -4.159 3.870 1.00 0.00 N ATOM 494 CA LEU A 32 0.264 -5.304 2.944 1.00 0.00 C ATOM 495 C LEU A 32 0.043 -6.609 3.716 1.00 0.00 C ATOM 496 O LEU A 32 -0.732 -7.449 3.324 1.00 0.00 O ATOM 497 CB LEU A 32 1.681 -5.208 2.326 1.00 0.00 C ATOM 498 CG LEU A 32 2.642 -6.296 2.853 1.00 0.00 C ATOM 499 CD1 LEU A 32 3.749 -6.550 1.830 1.00 0.00 C ATOM 500 CD2 LEU A 32 3.293 -5.816 4.147 1.00 0.00 C ATOM 0 H LEU A 32 0.771 -3.409 3.767 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.462 -5.284 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.605 -5.292 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.100 -4.225 2.542 1.00 0.00 H new ATOM 0 HG LEU A 32 2.075 -7.211 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.424 -7.318 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.307 -6.884 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.307 -5.629 1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.971 -6.584 4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.852 -4.900 3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.522 -5.621 4.892 1.00 0.00 H new ATOM 512 N GLN A 33 0.705 -6.770 4.818 1.00 0.00 N ATOM 513 CA GLN A 33 0.526 -8.005 5.630 1.00 0.00 C ATOM 514 C GLN A 33 -0.721 -7.868 6.507 1.00 0.00 C ATOM 515 O GLN A 33 -1.357 -6.833 6.544 1.00 0.00 O ATOM 516 CB GLN A 33 1.751 -8.201 6.527 1.00 0.00 C ATOM 517 CG GLN A 33 1.823 -7.060 7.548 1.00 0.00 C ATOM 518 CD GLN A 33 2.770 -7.449 8.684 1.00 0.00 C ATOM 519 OE1 GLN A 33 2.347 -7.616 9.812 1.00 0.00 O ATOM 520 NE2 GLN A 33 4.042 -7.594 8.436 1.00 0.00 N ATOM 0 H GLN A 33 1.369 -6.096 5.199 1.00 0.00 H new ATOM 0 HA GLN A 33 0.412 -8.862 4.966 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.689 -9.160 7.041 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.658 -8.221 5.923 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.173 -6.148 7.065 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.830 -6.850 7.945 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.396 -7.454 7.490 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.683 -7.848 9.188 1.00 0.00 H new ATOM 529 N THR A 34 -1.051 -8.900 7.235 1.00 0.00 N ATOM 530 CA THR A 34 -2.227 -8.845 8.152 1.00 0.00 C ATOM 531 C THR A 34 -3.542 -8.678 7.379 1.00 0.00 C ATOM 532 O THR A 34 -4.222 -9.637 7.073 1.00 0.00 O ATOM 533 CB THR A 34 -2.057 -7.666 9.120 1.00 0.00 C ATOM 534 OG1 THR A 34 -1.028 -7.966 10.052 1.00 0.00 O ATOM 535 CG2 THR A 34 -3.367 -7.412 9.869 1.00 0.00 C ATOM 0 H THR A 34 -0.551 -9.789 7.234 1.00 0.00 H new ATOM 0 HA THR A 34 -2.274 -9.787 8.699 1.00 0.00 H new ATOM 0 HB THR A 34 -1.791 -6.773 8.555 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.917 -7.214 10.670 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.238 -6.574 10.554 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.156 -7.178 9.154 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.642 -8.303 10.434 1.00 0.00 H new ATOM 543 N GLU A 35 -3.925 -7.462 7.108 1.00 0.00 N ATOM 544 CA GLU A 35 -5.223 -7.215 6.409 1.00 0.00 C ATOM 545 C GLU A 35 -5.128 -7.512 4.907 1.00 0.00 C ATOM 546 O GLU A 35 -6.115 -7.842 4.279 1.00 0.00 O ATOM 547 CB GLU A 35 -5.625 -5.751 6.613 1.00 0.00 C ATOM 548 CG GLU A 35 -4.416 -4.850 6.365 1.00 0.00 C ATOM 549 CD GLU A 35 -3.801 -4.440 7.704 1.00 0.00 C ATOM 550 OE1 GLU A 35 -4.478 -3.766 8.464 1.00 0.00 O ATOM 551 OE2 GLU A 35 -2.664 -4.809 7.947 1.00 0.00 O ATOM 0 H GLU A 35 -3.394 -6.623 7.341 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.972 -7.884 6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.434 -5.487 5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.000 -5.604 7.626 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.677 -5.374 5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.718 -3.965 5.805 1.00 0.00 H new ATOM 558 N PHE A 36 -3.973 -7.388 4.313 1.00 0.00 N ATOM 559 CA PHE A 36 -3.874 -7.654 2.845 1.00 0.00 C ATOM 560 C PHE A 36 -2.930 -8.828 2.567 1.00 0.00 C ATOM 561 O PHE A 36 -1.950 -8.672 1.870 1.00 0.00 O ATOM 562 CB PHE A 36 -3.330 -6.405 2.140 1.00 0.00 C ATOM 563 CG PHE A 36 -4.390 -5.321 2.059 1.00 0.00 C ATOM 564 CD1 PHE A 36 -5.741 -5.609 2.313 1.00 0.00 C ATOM 565 CD2 PHE A 36 -4.010 -4.017 1.717 1.00 0.00 C ATOM 566 CE1 PHE A 36 -6.702 -4.591 2.228 1.00 0.00 C ATOM 567 CE2 PHE A 36 -4.972 -3.003 1.631 1.00 0.00 C ATOM 568 CZ PHE A 36 -6.318 -3.291 1.885 1.00 0.00 C ATOM 0 H PHE A 36 -3.103 -7.118 4.771 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.867 -7.902 2.471 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.460 -6.029 2.679 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.995 -6.667 1.136 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.040 -6.614 2.574 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.972 -3.793 1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.740 -4.812 2.428 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.675 -1.998 1.369 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.060 -2.509 1.816 1.00 0.00 H new ATOM 578 N PRO A 37 -3.262 -9.981 3.087 1.00 0.00 N ATOM 579 CA PRO A 37 -2.449 -11.193 2.880 1.00 0.00 C ATOM 580 C PRO A 37 -2.593 -11.644 1.437 1.00 0.00 C ATOM 581 O PRO A 37 -1.654 -11.646 0.666 1.00 0.00 O ATOM 582 CB PRO A 37 -3.095 -12.241 3.781 1.00 0.00 C ATOM 583 CG PRO A 37 -4.516 -11.725 4.077 1.00 0.00 C ATOM 584 CD PRO A 37 -4.469 -10.192 3.909 1.00 0.00 C ATOM 0 HA PRO A 37 -1.393 -11.033 3.096 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.127 -13.213 3.289 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.526 -12.369 4.702 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.240 -12.168 3.393 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.824 -11.995 5.087 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.364 -9.813 3.415 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.396 -9.683 4.870 1.00 0.00 H new ATOM 592 N SER A 38 -3.782 -12.047 1.087 1.00 0.00 N ATOM 593 CA SER A 38 -4.044 -12.526 -0.277 1.00 0.00 C ATOM 594 C SER A 38 -3.318 -11.629 -1.284 1.00 0.00 C ATOM 595 O SER A 38 -2.869 -12.074 -2.321 1.00 0.00 O ATOM 596 CB SER A 38 -5.548 -12.501 -0.554 1.00 0.00 C ATOM 597 OG SER A 38 -6.199 -13.419 0.316 1.00 0.00 O ATOM 0 H SER A 38 -4.591 -12.061 1.708 1.00 0.00 H new ATOM 0 HA SER A 38 -3.679 -13.548 -0.376 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.941 -11.496 -0.402 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.743 -12.766 -1.593 1.00 0.00 H new ATOM 0 HG SER A 38 -7.164 -13.405 0.143 1.00 0.00 H new ATOM 603 N LEU A 39 -3.194 -10.363 -0.976 1.00 0.00 N ATOM 604 CA LEU A 39 -2.492 -9.430 -1.903 1.00 0.00 C ATOM 605 C LEU A 39 -1.114 -10.000 -2.212 1.00 0.00 C ATOM 606 O LEU A 39 -0.752 -10.218 -3.352 1.00 0.00 O ATOM 607 CB LEU A 39 -2.321 -8.068 -1.224 1.00 0.00 C ATOM 608 CG LEU A 39 -3.579 -7.223 -1.421 1.00 0.00 C ATOM 609 CD1 LEU A 39 -4.632 -7.628 -0.389 1.00 0.00 C ATOM 610 CD2 LEU A 39 -3.228 -5.746 -1.234 1.00 0.00 C ATOM 0 H LEU A 39 -3.550 -9.936 -0.121 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.071 -9.312 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.128 -8.205 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.457 -7.551 -1.641 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.973 -7.383 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.529 -7.025 -0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.879 -8.682 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.239 -7.466 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.122 -5.139 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.836 -5.589 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.475 -5.456 -1.966 1.00 0.00 H new ATOM 622 N LEU A 40 -0.344 -10.238 -1.191 1.00 0.00 N ATOM 623 CA LEU A 40 1.020 -10.791 -1.388 1.00 0.00 C ATOM 624 C LEU A 40 1.079 -12.164 -0.722 1.00 0.00 C ATOM 625 O LEU A 40 1.066 -13.183 -1.382 1.00 0.00 O ATOM 626 CB LEU A 40 2.066 -9.856 -0.760 1.00 0.00 C ATOM 627 CG LEU A 40 1.421 -8.517 -0.374 1.00 0.00 C ATOM 628 CD1 LEU A 40 0.959 -8.578 1.081 1.00 0.00 C ATOM 629 CD2 LEU A 40 2.437 -7.389 -0.534 1.00 0.00 C ATOM 0 H LEU A 40 -0.604 -10.071 -0.219 1.00 0.00 H new ATOM 0 HA LEU A 40 1.237 -10.880 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.500 -10.326 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.881 -9.685 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 40 0.567 -8.328 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.501 -7.628 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.230 -9.380 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.816 -8.769 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.975 -6.441 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.294 -7.576 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.769 -7.343 -1.571 1.00 0.00 H new ATOM 641 N LYS A 41 1.115 -12.190 0.584 1.00 0.00 N ATOM 642 CA LYS A 41 1.147 -13.490 1.317 1.00 0.00 C ATOM 643 C LYS A 41 2.005 -14.507 0.555 1.00 0.00 C ATOM 644 O LYS A 41 1.564 -15.599 0.255 1.00 0.00 O ATOM 645 CB LYS A 41 -0.285 -14.023 1.450 1.00 0.00 C ATOM 646 CG LYS A 41 -0.266 -15.370 2.174 1.00 0.00 C ATOM 647 CD LYS A 41 -1.627 -15.616 2.832 1.00 0.00 C ATOM 648 CE LYS A 41 -2.705 -15.730 1.753 1.00 0.00 C ATOM 649 NZ LYS A 41 -4.045 -15.485 2.357 1.00 0.00 N ATOM 0 H LYS A 41 1.124 -11.361 1.178 1.00 0.00 H new ATOM 0 HA LYS A 41 1.581 -13.337 2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.899 -13.311 2.001 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.735 -14.135 0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.041 -16.170 1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.521 -15.379 2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.595 -16.529 3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.866 -14.800 3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.516 -15.009 0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.675 -16.720 1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.721 -16.190 2.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.979 -15.562 3.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.372 -14.532 2.101 1.00 0.00 H new ATOM 663 N GLY A 42 3.224 -14.159 0.241 1.00 0.00 N ATOM 664 CA GLY A 42 4.100 -15.111 -0.500 1.00 0.00 C ATOM 665 C GLY A 42 5.252 -14.341 -1.162 1.00 0.00 C ATOM 666 O GLY A 42 5.385 -13.148 -0.988 1.00 0.00 O ATOM 0 H GLY A 42 3.650 -13.260 0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.496 -15.863 0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.521 -15.641 -1.256 1.00 0.00 H new ATOM 670 N MET A 43 6.088 -15.009 -1.922 1.00 0.00 N ATOM 671 CA MET A 43 7.219 -14.298 -2.584 1.00 0.00 C ATOM 672 C MET A 43 8.011 -13.513 -1.538 1.00 0.00 C ATOM 673 O MET A 43 7.793 -13.647 -0.350 1.00 0.00 O ATOM 674 CB MET A 43 6.675 -13.326 -3.636 1.00 0.00 C ATOM 675 CG MET A 43 5.341 -13.843 -4.181 1.00 0.00 C ATOM 676 SD MET A 43 5.115 -13.255 -5.877 1.00 0.00 S ATOM 677 CE MET A 43 4.294 -14.733 -6.521 1.00 0.00 C ATOM 0 H MET A 43 6.034 -16.010 -2.109 1.00 0.00 H new ATOM 0 HA MET A 43 7.868 -15.029 -3.065 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.540 -12.338 -3.196 1.00 0.00 H new ATOM 0 HB3 MET A 43 7.393 -13.217 -4.449 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.324 -14.933 -4.157 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.520 -13.497 -3.552 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.058 -14.588 -7.575 1.00 0.00 H new ATOM 0 HE2 MET A 43 4.955 -15.593 -6.412 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.374 -14.910 -5.964 1.00 0.00 H new ATOM 687 N SER A 44 8.926 -12.690 -1.970 1.00 0.00 N ATOM 688 CA SER A 44 9.729 -11.891 -1.002 1.00 0.00 C ATOM 689 C SER A 44 9.326 -10.421 -1.110 1.00 0.00 C ATOM 690 O SER A 44 9.486 -9.799 -2.141 1.00 0.00 O ATOM 691 CB SER A 44 11.215 -12.040 -1.327 1.00 0.00 C ATOM 692 OG SER A 44 11.502 -11.355 -2.539 1.00 0.00 O ATOM 0 H SER A 44 9.153 -12.536 -2.953 1.00 0.00 H new ATOM 0 HA SER A 44 9.545 -12.248 0.011 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.819 -11.635 -0.515 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.474 -13.094 -1.422 1.00 0.00 H new ATOM 0 HG SER A 44 10.694 -10.902 -2.858 1.00 0.00 H new ATOM 698 N THR A 45 8.795 -9.860 -0.059 1.00 0.00 N ATOM 699 CA THR A 45 8.375 -8.447 -0.101 1.00 0.00 C ATOM 700 C THR A 45 9.585 -7.542 -0.326 1.00 0.00 C ATOM 701 O THR A 45 10.078 -7.417 -1.424 1.00 0.00 O ATOM 702 CB THR A 45 7.671 -8.124 1.213 1.00 0.00 C ATOM 703 OG1 THR A 45 8.468 -8.569 2.303 1.00 0.00 O ATOM 704 CG2 THR A 45 6.316 -8.830 1.240 1.00 0.00 C ATOM 0 H THR A 45 8.636 -10.331 0.832 1.00 0.00 H new ATOM 0 HA THR A 45 7.688 -8.275 -0.930 1.00 0.00 H new ATOM 0 HB THR A 45 7.523 -7.047 1.297 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.015 -8.359 3.146 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.807 -8.604 2.177 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.709 -8.484 0.404 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.465 -9.907 1.159 1.00 0.00 H new ATOM 712 N LEU A 46 10.067 -6.905 0.688 1.00 0.00 N ATOM 713 CA LEU A 46 11.234 -6.003 0.499 1.00 0.00 C ATOM 714 C LEU A 46 10.937 -5.034 -0.662 1.00 0.00 C ATOM 715 O LEU A 46 10.003 -4.262 -0.594 1.00 0.00 O ATOM 716 CB LEU A 46 12.486 -6.837 0.208 1.00 0.00 C ATOM 717 CG LEU A 46 13.047 -7.389 1.520 1.00 0.00 C ATOM 718 CD1 LEU A 46 13.715 -6.256 2.301 1.00 0.00 C ATOM 719 CD2 LEU A 46 11.911 -7.984 2.360 1.00 0.00 C ATOM 0 H LEU A 46 9.709 -6.965 1.641 1.00 0.00 H new ATOM 0 HA LEU A 46 11.412 -5.423 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.241 -7.656 -0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 46 13.236 -6.224 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 46 13.779 -8.167 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.116 -6.646 3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.525 -5.833 1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.980 -5.480 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.315 -8.376 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.177 -7.209 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.432 -8.791 1.805 1.00 0.00 H new ATOM 731 N ASP A 47 11.699 -5.069 -1.730 1.00 0.00 N ATOM 732 CA ASP A 47 11.419 -4.160 -2.873 1.00 0.00 C ATOM 733 C ASP A 47 10.427 -4.828 -3.792 1.00 0.00 C ATOM 734 O ASP A 47 10.694 -5.073 -4.951 1.00 0.00 O ATOM 735 CB ASP A 47 12.675 -3.892 -3.659 1.00 0.00 C ATOM 736 CG ASP A 47 13.249 -2.528 -3.277 1.00 0.00 C ATOM 737 OD1 ASP A 47 12.755 -1.536 -3.788 1.00 0.00 O ATOM 738 OD2 ASP A 47 14.168 -2.498 -2.475 1.00 0.00 O ATOM 0 H ASP A 47 12.500 -5.689 -1.854 1.00 0.00 H new ATOM 0 HA ASP A 47 11.028 -3.220 -2.484 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.410 -4.673 -3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.458 -3.919 -4.727 1.00 0.00 H new ATOM 743 N GLU A 48 9.316 -5.158 -3.283 1.00 0.00 N ATOM 744 CA GLU A 48 8.322 -5.847 -4.088 1.00 0.00 C ATOM 745 C GLU A 48 6.950 -5.454 -3.584 1.00 0.00 C ATOM 746 O GLU A 48 6.194 -6.236 -3.044 1.00 0.00 O ATOM 747 CB GLU A 48 8.578 -7.323 -3.909 1.00 0.00 C ATOM 748 CG GLU A 48 8.734 -7.997 -5.262 1.00 0.00 C ATOM 749 CD GLU A 48 7.357 -8.279 -5.866 1.00 0.00 C ATOM 750 OE1 GLU A 48 6.411 -7.624 -5.462 1.00 0.00 O ATOM 751 OE2 GLU A 48 7.272 -9.144 -6.721 1.00 0.00 O ATOM 0 H GLU A 48 9.042 -4.977 -2.317 1.00 0.00 H new ATOM 0 HA GLU A 48 8.377 -5.590 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.479 -7.474 -3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.753 -7.779 -3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.310 -7.359 -5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.290 -8.928 -5.152 1.00 0.00 H new ATOM 758 N LEU A 49 6.667 -4.216 -3.761 1.00 0.00 N ATOM 759 CA LEU A 49 5.394 -3.615 -3.326 1.00 0.00 C ATOM 760 C LEU A 49 5.663 -2.116 -3.299 1.00 0.00 C ATOM 761 O LEU A 49 4.844 -1.316 -3.707 1.00 0.00 O ATOM 762 CB LEU A 49 4.975 -4.135 -1.939 1.00 0.00 C ATOM 763 CG LEU A 49 6.199 -4.381 -1.054 1.00 0.00 C ATOM 764 CD1 LEU A 49 6.159 -3.413 0.119 1.00 0.00 C ATOM 765 CD2 LEU A 49 6.170 -5.815 -0.517 1.00 0.00 C ATOM 0 H LEU A 49 7.299 -3.557 -4.215 1.00 0.00 H new ATOM 0 HA LEU A 49 4.571 -3.870 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.314 -3.412 -1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.409 -5.060 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 49 7.107 -4.231 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.027 -3.579 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.173 -2.389 -0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.248 -3.577 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.043 -5.986 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.264 -5.965 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.182 -6.516 -1.351 1.00 0.00 H new ATOM 777 N PHE A 50 6.854 -1.738 -2.886 1.00 0.00 N ATOM 778 CA PHE A 50 7.223 -0.299 -2.913 1.00 0.00 C ATOM 779 C PHE A 50 7.683 0.021 -4.322 1.00 0.00 C ATOM 780 O PHE A 50 7.282 0.980 -4.934 1.00 0.00 O ATOM 781 CB PHE A 50 8.375 -0.029 -1.957 1.00 0.00 C ATOM 782 CG PHE A 50 8.395 1.437 -1.590 1.00 0.00 C ATOM 783 CD1 PHE A 50 7.274 2.027 -0.992 1.00 0.00 C ATOM 784 CD2 PHE A 50 9.539 2.206 -1.842 1.00 0.00 C ATOM 785 CE1 PHE A 50 7.299 3.383 -0.645 1.00 0.00 C ATOM 786 CE2 PHE A 50 9.562 3.561 -1.496 1.00 0.00 C ATOM 787 CZ PHE A 50 8.443 4.150 -0.897 1.00 0.00 C ATOM 0 H PHE A 50 7.577 -2.367 -2.535 1.00 0.00 H new ATOM 0 HA PHE A 50 6.369 0.310 -2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.266 -0.638 -1.059 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.320 -0.311 -2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.391 1.436 -0.799 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.403 1.752 -2.304 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.435 3.838 -0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.444 4.153 -1.691 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.462 5.196 -0.629 1.00 0.00 H new ATOM 797 N GLU A 51 8.534 -0.793 -4.843 1.00 0.00 N ATOM 798 CA GLU A 51 9.018 -0.541 -6.224 1.00 0.00 C ATOM 799 C GLU A 51 7.977 -1.059 -7.208 1.00 0.00 C ATOM 800 O GLU A 51 7.905 -0.629 -8.342 1.00 0.00 O ATOM 801 CB GLU A 51 10.358 -1.245 -6.452 1.00 0.00 C ATOM 802 CG GLU A 51 10.210 -2.744 -6.173 1.00 0.00 C ATOM 803 CD GLU A 51 10.994 -3.537 -7.221 1.00 0.00 C ATOM 804 OE1 GLU A 51 10.684 -3.401 -8.393 1.00 0.00 O ATOM 805 OE2 GLU A 51 11.892 -4.266 -6.834 1.00 0.00 O ATOM 0 H GLU A 51 8.918 -1.619 -4.384 1.00 0.00 H new ATOM 0 HA GLU A 51 9.166 0.529 -6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.692 -1.088 -7.478 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.120 -0.818 -5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.579 -2.977 -5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.158 -3.028 -6.199 1.00 0.00 H new ATOM 812 N GLU A 52 7.168 -1.982 -6.778 1.00 0.00 N ATOM 813 CA GLU A 52 6.126 -2.536 -7.674 1.00 0.00 C ATOM 814 C GLU A 52 5.177 -1.429 -8.148 1.00 0.00 C ATOM 815 O GLU A 52 4.761 -1.422 -9.289 1.00 0.00 O ATOM 816 CB GLU A 52 5.326 -3.601 -6.922 1.00 0.00 C ATOM 817 CG GLU A 52 5.914 -4.982 -7.218 1.00 0.00 C ATOM 818 CD GLU A 52 4.896 -5.812 -8.003 1.00 0.00 C ATOM 819 OE1 GLU A 52 3.723 -5.483 -7.948 1.00 0.00 O ATOM 820 OE2 GLU A 52 5.308 -6.762 -8.647 1.00 0.00 O ATOM 0 H GLU A 52 7.186 -2.378 -5.838 1.00 0.00 H new ATOM 0 HA GLU A 52 6.611 -2.978 -8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.354 -3.404 -5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.279 -3.567 -7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.836 -4.881 -7.790 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.170 -5.487 -6.287 1.00 0.00 H new ATOM 827 N LEU A 53 4.790 -0.509 -7.292 1.00 0.00 N ATOM 828 CA LEU A 53 3.849 0.526 -7.728 1.00 0.00 C ATOM 829 C LEU A 53 3.988 1.785 -6.849 1.00 0.00 C ATOM 830 O LEU A 53 3.287 2.755 -7.031 1.00 0.00 O ATOM 831 CB LEU A 53 2.450 -0.092 -7.600 1.00 0.00 C ATOM 832 CG LEU A 53 1.345 0.945 -7.791 1.00 0.00 C ATOM 833 CD1 LEU A 53 1.099 1.673 -6.470 1.00 0.00 C ATOM 834 CD2 LEU A 53 1.741 1.944 -8.877 1.00 0.00 C ATOM 0 H LEU A 53 5.094 -0.446 -6.320 1.00 0.00 H new ATOM 0 HA LEU A 53 4.042 0.841 -8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.335 -0.884 -8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.347 -0.555 -6.619 1.00 0.00 H new ATOM 0 HG LEU A 53 0.429 0.442 -8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.311 2.414 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.796 0.954 -5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.015 2.172 -6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.945 2.678 -9.004 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.660 2.452 -8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.900 1.416 -9.817 1.00 0.00 H new ATOM 846 N ASP A 54 4.887 1.806 -5.898 1.00 0.00 N ATOM 847 CA ASP A 54 4.997 3.033 -5.062 1.00 0.00 C ATOM 848 C ASP A 54 5.811 4.075 -5.783 1.00 0.00 C ATOM 849 O ASP A 54 5.774 5.247 -5.467 1.00 0.00 O ATOM 850 CB ASP A 54 5.635 2.717 -3.701 1.00 0.00 C ATOM 851 CG ASP A 54 5.586 3.953 -2.795 1.00 0.00 C ATOM 852 OD1 ASP A 54 6.131 4.971 -3.187 1.00 0.00 O ATOM 853 OD2 ASP A 54 5.015 3.858 -1.722 1.00 0.00 O ATOM 0 H ASP A 54 5.531 1.049 -5.670 1.00 0.00 H new ATOM 0 HA ASP A 54 3.992 3.418 -4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.108 1.889 -3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.668 2.400 -3.840 1.00 0.00 H new ATOM 858 N LYS A 55 6.545 3.661 -6.743 1.00 0.00 N ATOM 859 CA LYS A 55 7.361 4.591 -7.486 1.00 0.00 C ATOM 860 C LYS A 55 6.550 5.280 -8.568 1.00 0.00 C ATOM 861 O LYS A 55 6.794 5.094 -9.746 1.00 0.00 O ATOM 862 CB LYS A 55 8.500 3.825 -8.097 1.00 0.00 C ATOM 863 CG LYS A 55 9.739 4.085 -7.260 1.00 0.00 C ATOM 864 CD LYS A 55 10.534 5.260 -7.848 1.00 0.00 C ATOM 865 CE LYS A 55 10.199 6.550 -7.076 1.00 0.00 C ATOM 866 NZ LYS A 55 11.067 6.642 -5.868 1.00 0.00 N ATOM 0 H LYS A 55 6.610 2.689 -7.047 1.00 0.00 H new ATOM 0 HA LYS A 55 7.739 5.365 -6.818 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.273 2.759 -8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.663 4.140 -9.128 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.453 4.307 -6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.363 3.191 -7.232 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.603 5.055 -7.787 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.293 5.383 -8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.352 7.420 -7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.149 6.550 -6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.855 7.521 -5.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.887 5.826 -5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.066 6.643 -6.158 1.00 0.00 H new ATOM 880 N ASN A 56 5.645 6.137 -8.192 1.00 0.00 N ATOM 881 CA ASN A 56 4.906 6.911 -9.217 1.00 0.00 C ATOM 882 C ASN A 56 5.763 8.154 -9.400 1.00 0.00 C ATOM 883 O ASN A 56 5.297 9.277 -9.379 1.00 0.00 O ATOM 884 CB ASN A 56 3.510 7.302 -8.717 1.00 0.00 C ATOM 885 CG ASN A 56 3.090 6.385 -7.566 1.00 0.00 C ATOM 886 OD1 ASN A 56 2.603 5.295 -7.794 1.00 0.00 O ATOM 887 ND2 ASN A 56 3.257 6.776 -6.335 1.00 0.00 N ATOM 0 H ASN A 56 5.388 6.332 -7.224 1.00 0.00 H new ATOM 0 HA ASN A 56 4.750 6.347 -10.137 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.512 8.340 -8.384 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.790 7.230 -9.532 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.979 6.168 -5.565 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.666 7.690 -6.141 1.00 0.00 H new ATOM 894 N GLY A 57 7.044 7.928 -9.527 1.00 0.00 N ATOM 895 CA GLY A 57 8.016 9.042 -9.656 1.00 0.00 C ATOM 896 C GLY A 57 8.003 9.902 -8.394 1.00 0.00 C ATOM 897 O GLY A 57 8.358 11.064 -8.427 1.00 0.00 O ATOM 0 H GLY A 57 7.461 6.997 -9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.017 8.644 -9.823 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.767 9.653 -10.524 1.00 0.00 H new ATOM 901 N ASP A 58 7.617 9.351 -7.276 1.00 0.00 N ATOM 902 CA ASP A 58 7.619 10.168 -6.031 1.00 0.00 C ATOM 903 C ASP A 58 7.738 9.268 -4.800 1.00 0.00 C ATOM 904 O ASP A 58 7.249 9.589 -3.737 1.00 0.00 O ATOM 905 CB ASP A 58 6.336 11.007 -5.957 1.00 0.00 C ATOM 906 CG ASP A 58 6.690 12.490 -6.088 1.00 0.00 C ATOM 907 OD1 ASP A 58 7.347 12.838 -7.056 1.00 0.00 O ATOM 908 OD2 ASP A 58 6.297 13.253 -5.221 1.00 0.00 O ATOM 0 H ASP A 58 7.305 8.386 -7.171 1.00 0.00 H new ATOM 0 HA ASP A 58 8.479 10.837 -6.050 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.650 10.714 -6.752 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.824 10.826 -5.012 1.00 0.00 H new ATOM 913 N GLY A 59 8.419 8.166 -4.955 1.00 0.00 N ATOM 914 CA GLY A 59 8.643 7.196 -3.832 1.00 0.00 C ATOM 915 C GLY A 59 7.520 7.265 -2.792 1.00 0.00 C ATOM 916 O GLY A 59 7.759 7.128 -1.610 1.00 0.00 O ATOM 0 H GLY A 59 8.844 7.885 -5.839 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.707 6.184 -4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.598 7.410 -3.352 1.00 0.00 H new ATOM 920 N GLU A 60 6.303 7.485 -3.210 1.00 0.00 N ATOM 921 CA GLU A 60 5.188 7.571 -2.205 1.00 0.00 C ATOM 922 C GLU A 60 3.882 6.994 -2.760 1.00 0.00 C ATOM 923 O GLU A 60 3.531 7.214 -3.900 1.00 0.00 O ATOM 924 CB GLU A 60 4.934 9.034 -1.846 1.00 0.00 C ATOM 925 CG GLU A 60 6.058 9.563 -0.951 1.00 0.00 C ATOM 926 CD GLU A 60 6.361 11.016 -1.320 1.00 0.00 C ATOM 927 OE1 GLU A 60 5.834 11.475 -2.320 1.00 0.00 O ATOM 928 OE2 GLU A 60 7.119 11.646 -0.600 1.00 0.00 O ATOM 0 H GLU A 60 6.029 7.608 -4.185 1.00 0.00 H new ATOM 0 HA GLU A 60 5.493 6.996 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.871 9.633 -2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.976 9.129 -1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.765 9.496 0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.952 8.952 -1.072 1.00 0.00 H new ATOM 935 N VAL A 61 3.145 6.279 -1.943 1.00 0.00 N ATOM 936 CA VAL A 61 1.847 5.711 -2.405 1.00 0.00 C ATOM 937 C VAL A 61 0.695 6.364 -1.657 1.00 0.00 C ATOM 938 O VAL A 61 0.355 5.986 -0.555 1.00 0.00 O ATOM 939 CB VAL A 61 1.803 4.224 -2.123 1.00 0.00 C ATOM 940 CG1 VAL A 61 0.395 3.689 -2.386 1.00 0.00 C ATOM 941 CG2 VAL A 61 2.788 3.527 -3.034 1.00 0.00 C ATOM 0 H VAL A 61 3.390 6.066 -0.976 1.00 0.00 H new ATOM 0 HA VAL A 61 1.756 5.897 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 61 2.064 4.038 -1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.368 2.619 -2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.316 4.200 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.127 3.866 -3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.766 2.454 -2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.518 3.714 -4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.791 3.909 -2.846 1.00 0.00 H new ATOM 951 N SER A 62 0.069 7.308 -2.267 1.00 0.00 N ATOM 952 CA SER A 62 -1.094 7.961 -1.616 1.00 0.00 C ATOM 953 C SER A 62 -2.294 7.029 -1.778 1.00 0.00 C ATOM 954 O SER A 62 -2.147 5.908 -2.196 1.00 0.00 O ATOM 955 CB SER A 62 -1.377 9.308 -2.281 1.00 0.00 C ATOM 956 OG SER A 62 -2.460 9.168 -3.191 1.00 0.00 O ATOM 0 H SER A 62 0.307 7.663 -3.193 1.00 0.00 H new ATOM 0 HA SER A 62 -0.893 8.143 -0.560 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.617 10.056 -1.525 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.489 9.660 -2.807 1.00 0.00 H new ATOM 0 HG SER A 62 -2.653 10.035 -3.605 1.00 0.00 H new ATOM 962 N PHE A 63 -3.471 7.480 -1.467 1.00 0.00 N ATOM 963 CA PHE A 63 -4.683 6.613 -1.610 1.00 0.00 C ATOM 964 C PHE A 63 -5.113 6.530 -3.079 1.00 0.00 C ATOM 965 O PHE A 63 -5.174 5.471 -3.646 1.00 0.00 O ATOM 966 CB PHE A 63 -5.828 7.230 -0.813 1.00 0.00 C ATOM 967 CG PHE A 63 -6.958 6.313 -1.043 1.00 0.00 C ATOM 968 CD1 PHE A 63 -6.768 4.983 -0.726 1.00 0.00 C ATOM 969 CD2 PHE A 63 -8.115 6.741 -1.676 1.00 0.00 C ATOM 970 CE1 PHE A 63 -7.739 4.048 -1.018 1.00 0.00 C ATOM 971 CE2 PHE A 63 -9.095 5.807 -1.999 1.00 0.00 C ATOM 972 CZ PHE A 63 -8.912 4.452 -1.668 1.00 0.00 C ATOM 0 H PHE A 63 -3.655 8.420 -1.116 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.445 5.614 -1.244 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.583 7.303 0.247 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.056 8.239 -1.158 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.852 4.672 -0.246 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.254 7.785 -1.915 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.596 3.012 -0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.996 6.123 -2.504 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.673 3.726 -1.914 1.00 0.00 H new ATOM 982 N GLU A 64 -5.459 7.601 -3.703 1.00 0.00 N ATOM 983 CA GLU A 64 -5.922 7.448 -5.110 1.00 0.00 C ATOM 984 C GLU A 64 -4.892 6.666 -5.938 1.00 0.00 C ATOM 985 O GLU A 64 -5.258 5.785 -6.686 1.00 0.00 O ATOM 986 CB GLU A 64 -6.186 8.820 -5.734 1.00 0.00 C ATOM 987 CG GLU A 64 -7.638 9.230 -5.473 1.00 0.00 C ATOM 988 CD GLU A 64 -8.461 9.039 -6.749 1.00 0.00 C ATOM 989 OE1 GLU A 64 -8.828 7.910 -7.031 1.00 0.00 O ATOM 990 OE2 GLU A 64 -8.712 10.025 -7.422 1.00 0.00 O ATOM 0 H GLU A 64 -5.447 8.549 -3.327 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.854 6.883 -5.108 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.507 9.560 -5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.994 8.786 -6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.056 8.630 -4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.681 10.271 -5.153 1.00 0.00 H new ATOM 997 N GLU A 65 -3.619 6.935 -5.812 1.00 0.00 N ATOM 998 CA GLU A 65 -2.642 6.119 -6.604 1.00 0.00 C ATOM 999 C GLU A 65 -2.657 4.717 -6.006 1.00 0.00 C ATOM 1000 O GLU A 65 -2.432 3.727 -6.674 1.00 0.00 O ATOM 1001 CB GLU A 65 -1.227 6.713 -6.549 1.00 0.00 C ATOM 1002 CG GLU A 65 -1.030 7.516 -5.264 1.00 0.00 C ATOM 1003 CD GLU A 65 -1.404 8.977 -5.517 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -2.254 9.213 -6.361 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -0.835 9.836 -4.865 1.00 0.00 O ATOM 0 H GLU A 65 -3.219 7.660 -5.216 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.928 6.107 -7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.489 5.913 -6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.062 7.355 -7.414 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.648 7.104 -4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.006 7.446 -4.933 1.00 0.00 H new ATOM 1012 N PHE A 66 -2.979 4.644 -4.748 1.00 0.00 N ATOM 1013 CA PHE A 66 -3.087 3.341 -4.048 1.00 0.00 C ATOM 1014 C PHE A 66 -4.177 2.501 -4.697 1.00 0.00 C ATOM 1015 O PHE A 66 -4.325 1.324 -4.413 1.00 0.00 O ATOM 1016 CB PHE A 66 -3.447 3.608 -2.616 1.00 0.00 C ATOM 1017 CG PHE A 66 -3.795 2.330 -1.961 1.00 0.00 C ATOM 1018 CD1 PHE A 66 -2.985 1.227 -2.162 1.00 0.00 C ATOM 1019 CD2 PHE A 66 -4.932 2.247 -1.170 1.00 0.00 C ATOM 1020 CE1 PHE A 66 -3.315 0.028 -1.565 1.00 0.00 C ATOM 1021 CE2 PHE A 66 -5.262 1.050 -0.570 1.00 0.00 C ATOM 1022 CZ PHE A 66 -4.450 -0.055 -0.768 1.00 0.00 C ATOM 0 H PHE A 66 -3.177 5.455 -4.162 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.142 2.801 -4.108 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.611 4.080 -2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.287 4.300 -2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.103 1.304 -2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.556 3.116 -1.025 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.694 -0.842 -1.716 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.144 0.975 0.048 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.703 -0.993 -0.297 1.00 0.00 H new ATOM 1032 N GLN A 67 -4.943 3.105 -5.553 1.00 0.00 N ATOM 1033 CA GLN A 67 -6.044 2.375 -6.273 1.00 0.00 C ATOM 1034 C GLN A 67 -5.461 1.381 -7.273 1.00 0.00 C ATOM 1035 O GLN A 67 -6.080 1.046 -8.262 1.00 0.00 O ATOM 1036 CB GLN A 67 -6.995 3.371 -6.998 1.00 0.00 C ATOM 1037 CG GLN A 67 -8.118 3.865 -6.049 1.00 0.00 C ATOM 1038 CD GLN A 67 -7.997 3.108 -4.742 1.00 0.00 C ATOM 1039 OE1 GLN A 67 -8.827 2.294 -4.387 1.00 0.00 O ATOM 1040 NE2 GLN A 67 -6.963 3.374 -4.021 1.00 0.00 N ATOM 0 H GLN A 67 -4.860 4.092 -5.796 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.625 1.828 -5.531 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.423 4.224 -7.364 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.438 2.887 -7.869 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.027 4.938 -5.877 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.097 3.696 -6.497 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.281 4.061 -4.341 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.826 2.897 -3.130 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.292 0.884 -7.004 1.00 0.00 N ATOM 1050 CA VAL A 68 -3.684 -0.126 -7.907 1.00 0.00 C ATOM 1051 C VAL A 68 -3.388 -1.404 -7.121 1.00 0.00 C ATOM 1052 O VAL A 68 -3.145 -2.450 -7.690 1.00 0.00 O ATOM 1053 CB VAL A 68 -2.400 0.423 -8.536 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -1.617 -0.722 -9.181 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -2.760 1.456 -9.606 1.00 0.00 C ATOM 0 H VAL A 68 -3.727 1.135 -6.193 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.386 -0.355 -8.709 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.790 0.892 -7.764 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.703 -0.331 -9.629 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.362 -1.461 -8.422 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.227 -1.191 -9.953 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.847 1.848 -10.055 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.370 0.984 -10.377 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.320 2.273 -9.150 1.00 0.00 H new ATOM 1065 N LEU A 69 -3.446 -1.342 -5.823 1.00 0.00 N ATOM 1066 CA LEU A 69 -3.209 -2.575 -5.008 1.00 0.00 C ATOM 1067 C LEU A 69 -4.523 -2.955 -4.390 1.00 0.00 C ATOM 1068 O LEU A 69 -4.812 -4.111 -4.152 1.00 0.00 O ATOM 1069 CB LEU A 69 -2.193 -2.368 -3.891 1.00 0.00 C ATOM 1070 CG LEU A 69 -1.405 -1.152 -4.233 1.00 0.00 C ATOM 1071 CD1 LEU A 69 -0.567 -0.696 -3.034 1.00 0.00 C ATOM 1072 CD2 LEU A 69 -0.486 -1.443 -5.421 1.00 0.00 C ATOM 0 H LEU A 69 -3.646 -0.497 -5.287 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.808 -3.347 -5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.696 -2.244 -2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.540 -3.236 -3.799 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.100 -0.355 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.001 0.194 -3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.225 -0.465 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.120 -1.492 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.087 -0.549 -5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.197 -2.252 -5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.086 -1.736 -6.282 1.00 0.00 H new ATOM 1084 N VAL A 70 -5.343 -1.977 -4.148 1.00 0.00 N ATOM 1085 CA VAL A 70 -6.665 -2.295 -3.563 1.00 0.00 C ATOM 1086 C VAL A 70 -7.458 -3.012 -4.647 1.00 0.00 C ATOM 1087 O VAL A 70 -8.343 -3.799 -4.378 1.00 0.00 O ATOM 1088 CB VAL A 70 -7.395 -1.039 -3.074 1.00 0.00 C ATOM 1089 CG1 VAL A 70 -7.306 -0.995 -1.546 1.00 0.00 C ATOM 1090 CG2 VAL A 70 -6.750 0.224 -3.644 1.00 0.00 C ATOM 0 H VAL A 70 -5.159 -0.990 -4.326 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.549 -2.925 -2.681 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.433 -1.078 -3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.820 -0.107 -1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.775 -1.886 -1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.259 -0.960 -1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.286 1.101 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.709 0.277 -3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.794 0.195 -4.733 1.00 0.00 H new ATOM 1100 N LYS A 71 -7.093 -2.782 -5.883 1.00 0.00 N ATOM 1101 CA LYS A 71 -7.762 -3.489 -7.002 1.00 0.00 C ATOM 1102 C LYS A 71 -7.119 -4.872 -7.105 1.00 0.00 C ATOM 1103 O LYS A 71 -7.764 -5.848 -7.433 1.00 0.00 O ATOM 1104 CB LYS A 71 -7.555 -2.727 -8.313 1.00 0.00 C ATOM 1105 CG LYS A 71 -7.408 -1.235 -8.025 1.00 0.00 C ATOM 1106 CD LYS A 71 -8.065 -0.434 -9.151 1.00 0.00 C ATOM 1107 CE LYS A 71 -7.052 -0.205 -10.275 1.00 0.00 C ATOM 1108 NZ LYS A 71 -7.532 -0.870 -11.518 1.00 0.00 N ATOM 0 H LYS A 71 -6.357 -2.132 -6.160 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.834 -3.563 -6.821 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.666 -3.098 -8.824 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.400 -2.897 -8.980 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.873 -0.990 -7.070 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.354 -0.971 -7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.933 -0.970 -9.534 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.423 0.522 -8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.920 0.863 -10.449 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.079 -0.604 -9.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.844 -0.715 -12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.636 -1.891 -11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.451 -0.469 -11.793 1.00 0.00 H new ATOM 1122 N LYS A 72 -5.842 -4.960 -6.801 1.00 0.00 N ATOM 1123 CA LYS A 72 -5.155 -6.283 -6.855 1.00 0.00 C ATOM 1124 C LYS A 72 -5.576 -7.112 -5.638 1.00 0.00 C ATOM 1125 O LYS A 72 -5.151 -8.237 -5.461 1.00 0.00 O ATOM 1126 CB LYS A 72 -3.638 -6.066 -6.820 1.00 0.00 C ATOM 1127 CG LYS A 72 -2.936 -7.225 -7.529 1.00 0.00 C ATOM 1128 CD LYS A 72 -1.724 -7.664 -6.706 1.00 0.00 C ATOM 1129 CE LYS A 72 -0.762 -8.447 -7.599 1.00 0.00 C ATOM 1130 NZ LYS A 72 -0.867 -9.899 -7.285 1.00 0.00 N ATOM 0 H LYS A 72 -5.254 -4.175 -6.520 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.428 -6.806 -7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.384 -5.123 -7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -3.294 -5.996 -5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.625 -8.060 -7.655 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.621 -6.918 -8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.221 -6.793 -6.286 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.044 -8.282 -5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.999 -8.273 -8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.260 -8.102 -7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.213 -10.434 -7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.621 -10.057 -6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.841 -10.222 -7.457 1.00 0.00 H new ATOM 1144 N ILE A 73 -6.407 -6.557 -4.794 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.867 -7.282 -3.583 1.00 0.00 C ATOM 1146 C ILE A 73 -7.475 -8.617 -3.974 1.00 0.00 C ATOM 1147 O ILE A 73 -7.448 -9.580 -3.234 1.00 0.00 O ATOM 1148 CB ILE A 73 -7.926 -6.426 -2.905 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -7.303 -5.110 -2.430 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -8.531 -7.185 -1.725 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -6.490 -5.322 -1.151 1.00 0.00 C ATOM 0 H ILE A 73 -6.789 -5.617 -4.899 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.027 -7.465 -2.913 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.719 -6.202 -3.619 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.660 -4.704 -3.211 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.088 -4.376 -2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.289 -6.566 -1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.989 -8.107 -2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.748 -7.424 -1.006 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.058 -4.373 -0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.141 -5.705 -0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.691 -6.039 -1.342 1.00 0.00 H new