USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 824 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 66 ASN : amide:sc= -1.66 K(o=-3.3,f=-0.63) USER MOD Set 1.2: A 85 SER OG : rot -94:sc= -1.68 USER MOD Set 2.1: A 20 SER OG : rot 36:sc= 0.0988 USER MOD Set 2.2: A 53 LYS NZ :NH3+ 163:sc= -0.143 (180deg=-0.509) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.32 K(o=-0.32,f=-1.5) USER MOD Single : A 17 CYS SG : rot -115:sc= 0.107 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -150:sc=0.000238 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.0703 X(o=-0.07,f=-0.07) USER MOD Single : A 25 GLN : amide:sc= -0.699 K(o=-0.7,f=-5.9!) USER MOD Single : A 26 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.5!) USER MOD Single : A 27 TYR OH : rot 34:sc= -3.56! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 150:sc= -1.39 USER MOD Single : A 40 HIS : no HE2:sc= -2.86 K(o=-2.9,f=-2) USER MOD Single : A 49 SER OG : rot -105:sc= 0.244 USER MOD Single : A 72 LYS NZ :NH3+ 162:sc= -0.023 (180deg=-0.183) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.77) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 25:sc= 1.02 USER MOD Single : A 101 LYS NZ :NH3+ -155:sc= -0.799 (180deg=-1.74!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.923 K(o=-0.92,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 104 N THR A 11 -10.397 -12.137 8.311 1.00 0.00 N ATOM 105 CA THR A 11 -9.865 -10.967 7.623 1.00 0.00 C ATOM 106 C THR A 11 -9.152 -10.035 8.595 1.00 0.00 C ATOM 107 O THR A 11 -9.567 -9.883 9.744 1.00 0.00 O ATOM 108 CB THR A 11 -10.979 -10.185 6.902 1.00 0.00 C ATOM 109 OG1 THR A 11 -10.418 -9.073 6.196 1.00 0.00 O ATOM 110 CG2 THR A 11 -12.020 -9.689 7.894 1.00 0.00 C ATOM 0 HA THR A 11 -9.151 -11.332 6.884 1.00 0.00 H new ATOM 0 HB THR A 11 -11.465 -10.857 6.194 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.132 -8.582 5.739 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.797 -9.140 7.362 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.466 -10.540 8.410 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.545 -9.032 8.622 1.00 0.00 H new ATOM 118 N PHE A 12 -8.075 -9.411 8.127 1.00 0.00 N ATOM 119 CA PHE A 12 -7.303 -8.493 8.956 1.00 0.00 C ATOM 120 C PHE A 12 -7.801 -7.060 8.789 1.00 0.00 C ATOM 121 O PHE A 12 -8.543 -6.754 7.856 1.00 0.00 O ATOM 122 CB PHE A 12 -5.818 -8.574 8.597 1.00 0.00 C ATOM 123 CG PHE A 12 -5.293 -9.980 8.530 1.00 0.00 C ATOM 124 CD1 PHE A 12 -5.400 -10.719 7.363 1.00 0.00 C ATOM 125 CD2 PHE A 12 -4.693 -10.562 9.635 1.00 0.00 C ATOM 126 CE1 PHE A 12 -4.919 -12.013 7.300 1.00 0.00 C ATOM 127 CE2 PHE A 12 -4.209 -11.856 9.577 1.00 0.00 C ATOM 128 CZ PHE A 12 -4.322 -12.582 8.408 1.00 0.00 C ATOM 0 H PHE A 12 -7.718 -9.525 7.178 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.434 -8.786 9.998 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.658 -8.089 7.634 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.243 -8.015 9.335 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.864 -10.279 6.493 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.602 -9.999 10.552 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.010 -12.579 6.385 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.743 -12.298 10.445 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.944 -13.593 8.360 1.00 0.00 H new ATOM 138 N ASN A 13 -7.387 -6.186 9.700 1.00 0.00 N ATOM 139 CA ASN A 13 -7.791 -4.785 9.655 1.00 0.00 C ATOM 140 C ASN A 13 -6.613 -3.891 9.278 1.00 0.00 C ATOM 141 O ASN A 13 -5.800 -3.507 10.119 1.00 0.00 O ATOM 142 CB ASN A 13 -8.361 -4.354 11.008 1.00 0.00 C ATOM 143 CG ASN A 13 -9.414 -5.315 11.524 1.00 0.00 C ATOM 144 OD1 ASN A 13 -9.131 -6.485 11.781 1.00 0.00 O ATOM 145 ND2 ASN A 13 -10.638 -4.823 11.679 1.00 0.00 N ATOM 0 H ASN A 13 -6.772 -6.423 10.479 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.563 -4.679 8.893 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.551 -4.282 11.734 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.795 -3.359 10.916 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.388 -5.422 12.024 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.827 -3.846 11.453 1.00 0.00 H new ATOM 152 N PRO A 14 -6.519 -3.552 7.984 1.00 0.00 N ATOM 153 CA PRO A 14 -5.446 -2.698 7.466 1.00 0.00 C ATOM 154 C PRO A 14 -5.575 -1.254 7.937 1.00 0.00 C ATOM 155 O PRO A 14 -6.626 -0.843 8.430 1.00 0.00 O ATOM 156 CB PRO A 14 -5.626 -2.784 5.949 1.00 0.00 C ATOM 157 CG PRO A 14 -7.065 -3.114 5.756 1.00 0.00 C ATOM 158 CD PRO A 14 -7.453 -3.974 6.927 1.00 0.00 C ATOM 0 HA PRO A 14 -4.464 -3.022 7.812 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.368 -1.842 5.466 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.983 -3.551 5.517 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.671 -2.209 5.719 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.222 -3.642 4.815 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.490 -3.811 7.219 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.349 -5.035 6.699 1.00 0.00 H new ATOM 166 N ARG A 15 -4.501 -0.487 7.783 1.00 0.00 N ATOM 167 CA ARG A 15 -4.495 0.912 8.193 1.00 0.00 C ATOM 168 C ARG A 15 -4.526 1.835 6.979 1.00 0.00 C ATOM 169 O ARG A 15 -3.528 1.984 6.274 1.00 0.00 O ATOM 170 CB ARG A 15 -3.258 1.211 9.042 1.00 0.00 C ATOM 171 CG ARG A 15 -3.046 2.692 9.309 1.00 0.00 C ATOM 172 CD ARG A 15 -1.962 2.921 10.351 1.00 0.00 C ATOM 173 NE ARG A 15 -2.410 2.563 11.694 1.00 0.00 N ATOM 174 CZ ARG A 15 -1.715 2.828 12.795 1.00 0.00 C ATOM 175 NH1 ARG A 15 -0.548 3.451 12.713 1.00 0.00 N ATOM 176 NH2 ARG A 15 -2.189 2.470 13.982 1.00 0.00 N ATOM 0 H ARG A 15 -3.623 -0.811 7.377 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.390 1.093 8.789 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.346 0.688 9.994 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.377 0.811 8.539 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.772 3.194 8.381 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.980 3.139 9.650 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.081 2.332 10.094 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.661 3.968 10.336 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.305 2.084 11.792 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.181 3.729 11.803 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.017 3.653 13.560 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.087 1.991 14.049 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.655 2.674 14.827 1.00 0.00 H new ATOM 190 N GLU A 16 -5.680 2.452 6.740 1.00 0.00 N ATOM 191 CA GLU A 16 -5.841 3.359 5.610 1.00 0.00 C ATOM 192 C GLU A 16 -5.121 4.680 5.866 1.00 0.00 C ATOM 193 O GLU A 16 -5.185 5.231 6.966 1.00 0.00 O ATOM 194 CB GLU A 16 -7.325 3.618 5.343 1.00 0.00 C ATOM 195 CG GLU A 16 -7.582 4.475 4.115 1.00 0.00 C ATOM 196 CD GLU A 16 -8.977 5.070 4.101 1.00 0.00 C ATOM 197 OE1 GLU A 16 -9.167 6.148 4.703 1.00 0.00 O ATOM 198 OE2 GLU A 16 -9.877 4.459 3.488 1.00 0.00 O ATOM 0 H GLU A 16 -6.516 2.340 7.314 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.398 2.888 4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.836 2.663 5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.763 4.106 6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.847 5.279 4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.439 3.871 3.219 1.00 0.00 H new ATOM 205 N CYS A 17 -4.437 5.182 4.844 1.00 0.00 N ATOM 206 CA CYS A 17 -3.703 6.437 4.957 1.00 0.00 C ATOM 207 C CYS A 17 -4.089 7.395 3.835 1.00 0.00 C ATOM 208 O CYS A 17 -4.089 7.025 2.660 1.00 0.00 O ATOM 209 CB CYS A 17 -2.197 6.176 4.927 1.00 0.00 C ATOM 210 SG CYS A 17 -1.565 5.330 6.394 1.00 0.00 S ATOM 0 H CYS A 17 -4.375 4.739 3.927 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.965 6.898 5.909 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.960 5.579 4.046 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.676 7.127 4.817 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.753 6.118 7.033 1.00 0.00 H new ATOM 216 N LYS A 18 -4.418 8.628 4.203 1.00 0.00 N ATOM 217 CA LYS A 18 -4.806 9.641 3.229 1.00 0.00 C ATOM 218 C LYS A 18 -3.695 10.669 3.041 1.00 0.00 C ATOM 219 O LYS A 18 -3.624 11.661 3.769 1.00 0.00 O ATOM 220 CB LYS A 18 -6.093 10.340 3.674 1.00 0.00 C ATOM 221 CG LYS A 18 -7.356 9.585 3.299 1.00 0.00 C ATOM 222 CD LYS A 18 -8.557 10.512 3.217 1.00 0.00 C ATOM 223 CE LYS A 18 -9.853 9.774 3.515 1.00 0.00 C ATOM 224 NZ LYS A 18 -11.046 10.548 3.074 1.00 0.00 N ATOM 0 H LYS A 18 -4.424 8.951 5.171 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.981 9.144 2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.068 10.475 4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.129 11.335 3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.213 9.088 2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.547 8.805 4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.434 11.332 3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.609 10.954 2.222 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.843 8.806 3.014 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.922 9.579 4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.909 10.011 3.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.070 11.462 3.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.993 10.712 2.048 1.00 0.00 H new ATOM 238 N LEU A 19 -2.832 10.428 2.060 1.00 0.00 N ATOM 239 CA LEU A 19 -1.725 11.335 1.775 1.00 0.00 C ATOM 240 C LEU A 19 -2.210 12.563 1.012 1.00 0.00 C ATOM 241 O LEU A 19 -2.950 12.447 0.034 1.00 0.00 O ATOM 242 CB LEU A 19 -0.644 10.613 0.969 1.00 0.00 C ATOM 243 CG LEU A 19 0.445 9.913 1.784 1.00 0.00 C ATOM 244 CD1 LEU A 19 -0.042 8.557 2.270 1.00 0.00 C ATOM 245 CD2 LEU A 19 1.714 9.761 0.958 1.00 0.00 C ATOM 0 H LEU A 19 -2.877 9.613 1.449 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.303 11.664 2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.127 9.871 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.167 11.337 0.308 1.00 0.00 H new ATOM 0 HG LEU A 19 0.673 10.528 2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.746 8.073 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.923 8.690 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.298 7.934 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.478 9.261 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.501 9.167 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.074 10.746 0.659 1.00 0.00 H new ATOM 257 N SER A 20 -1.787 13.739 1.463 1.00 0.00 N ATOM 258 CA SER A 20 -2.179 14.990 0.823 1.00 0.00 C ATOM 259 C SER A 20 -0.952 15.794 0.405 1.00 0.00 C ATOM 260 O SER A 20 -0.057 16.049 1.211 1.00 0.00 O ATOM 261 CB SER A 20 -3.048 15.820 1.769 1.00 0.00 C ATOM 262 OG SER A 20 -2.418 15.988 3.027 1.00 0.00 O ATOM 0 H SER A 20 -1.173 13.852 2.269 1.00 0.00 H new ATOM 0 HA SER A 20 -2.755 14.748 -0.070 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.245 16.796 1.325 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.013 15.331 1.905 1.00 0.00 H new ATOM 0 HG SER A 20 -1.451 16.081 2.899 1.00 0.00 H new ATOM 268 N LYS A 21 -0.916 16.191 -0.863 1.00 0.00 N ATOM 269 CA LYS A 21 0.199 16.967 -1.391 1.00 0.00 C ATOM 270 C LYS A 21 -0.301 18.102 -2.280 1.00 0.00 C ATOM 271 O LYS A 21 -1.486 18.172 -2.603 1.00 0.00 O ATOM 272 CB LYS A 21 1.146 16.064 -2.184 1.00 0.00 C ATOM 273 CG LYS A 21 0.569 15.588 -3.506 1.00 0.00 C ATOM 274 CD LYS A 21 1.664 15.187 -4.480 1.00 0.00 C ATOM 275 CE LYS A 21 1.086 14.595 -5.756 1.00 0.00 C ATOM 276 NZ LYS A 21 2.148 14.266 -6.746 1.00 0.00 N ATOM 0 H LYS A 21 -1.647 15.987 -1.544 1.00 0.00 H new ATOM 0 HA LYS A 21 0.739 17.399 -0.549 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.074 16.604 -2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.402 15.197 -1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.092 14.739 -3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.038 16.380 -3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.272 16.058 -4.725 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.325 14.460 -4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.522 13.694 -5.515 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.384 15.301 -6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.766 14.358 -7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.948 14.920 -6.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.473 13.290 -6.595 1.00 0.00 H new ATOM 290 N GLN A 22 0.611 18.985 -2.673 1.00 0.00 N ATOM 291 CA GLN A 22 0.262 20.115 -3.526 1.00 0.00 C ATOM 292 C GLN A 22 0.484 19.777 -4.996 1.00 0.00 C ATOM 293 O GLN A 22 1.436 19.080 -5.344 1.00 0.00 O ATOM 294 CB GLN A 22 1.087 21.345 -3.142 1.00 0.00 C ATOM 295 CG GLN A 22 0.933 21.751 -1.685 1.00 0.00 C ATOM 296 CD GLN A 22 -0.515 21.953 -1.285 1.00 0.00 C ATOM 297 OE1 GLN A 22 -1.202 22.825 -1.819 1.00 0.00 O ATOM 298 NE2 GLN A 22 -0.987 21.147 -0.341 1.00 0.00 N ATOM 0 H GLN A 22 1.597 18.940 -2.415 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.795 20.335 -3.379 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.139 21.144 -3.345 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.794 22.181 -3.776 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.378 20.985 -1.050 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.487 22.673 -1.508 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.382 20.438 0.074 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.955 21.237 -0.031 1.00 0.00 H new ATOM 307 N GLU A 23 -0.401 20.276 -5.853 1.00 0.00 N ATOM 308 CA GLU A 23 -0.300 20.025 -7.286 1.00 0.00 C ATOM 309 C GLU A 23 1.111 20.310 -7.791 1.00 0.00 C ATOM 310 O GLU A 23 1.613 21.427 -7.667 1.00 0.00 O ATOM 311 CB GLU A 23 -1.310 20.885 -8.049 1.00 0.00 C ATOM 312 CG GLU A 23 -1.804 20.246 -9.336 1.00 0.00 C ATOM 313 CD GLU A 23 -2.265 21.270 -10.356 1.00 0.00 C ATOM 314 OE1 GLU A 23 -3.033 22.179 -9.979 1.00 0.00 O ATOM 315 OE2 GLU A 23 -1.857 21.161 -11.531 1.00 0.00 O ATOM 0 H GLU A 23 -1.195 20.856 -5.581 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.524 18.973 -7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.164 21.087 -7.403 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.853 21.846 -8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.005 19.643 -9.768 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.627 19.569 -9.108 1.00 0.00 H new ATOM 322 N GLY A 24 1.747 19.291 -8.361 1.00 0.00 N ATOM 323 CA GLY A 24 3.094 19.452 -8.876 1.00 0.00 C ATOM 324 C GLY A 24 4.152 19.075 -7.858 1.00 0.00 C ATOM 325 O GLY A 24 5.185 18.505 -8.209 1.00 0.00 O ATOM 0 H GLY A 24 1.353 18.357 -8.475 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.215 18.836 -9.767 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.241 20.488 -9.182 1.00 0.00 H new ATOM 329 N GLN A 25 3.896 19.397 -6.594 1.00 0.00 N ATOM 330 CA GLN A 25 4.836 19.090 -5.522 1.00 0.00 C ATOM 331 C GLN A 25 4.936 17.585 -5.299 1.00 0.00 C ATOM 332 O GLN A 25 4.058 16.828 -5.710 1.00 0.00 O ATOM 333 CB GLN A 25 4.409 19.783 -4.227 1.00 0.00 C ATOM 334 CG GLN A 25 5.389 19.588 -3.081 1.00 0.00 C ATOM 335 CD GLN A 25 6.749 20.192 -3.368 1.00 0.00 C ATOM 336 OE1 GLN A 25 7.438 19.784 -4.303 1.00 0.00 O ATOM 337 NE2 GLN A 25 7.144 21.172 -2.562 1.00 0.00 N ATOM 0 H GLN A 25 3.046 19.870 -6.287 1.00 0.00 H new ATOM 0 HA GLN A 25 5.818 19.460 -5.817 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.293 20.850 -4.417 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.432 19.404 -3.927 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.979 20.038 -2.177 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.503 18.522 -2.883 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.541 21.479 -1.799 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.050 21.617 -2.706 1.00 0.00 H new ATOM 346 N ASN A 26 6.012 17.159 -4.646 1.00 0.00 N ATOM 347 CA ASN A 26 6.227 15.743 -4.370 1.00 0.00 C ATOM 348 C ASN A 26 5.642 15.358 -3.015 1.00 0.00 C ATOM 349 O ASN A 26 5.192 16.216 -2.255 1.00 0.00 O ATOM 350 CB ASN A 26 7.722 15.417 -4.403 1.00 0.00 C ATOM 351 CG ASN A 26 8.228 15.169 -5.811 1.00 0.00 C ATOM 352 OD1 ASN A 26 7.491 14.689 -6.672 1.00 0.00 O ATOM 353 ND2 ASN A 26 9.493 15.496 -6.051 1.00 0.00 N ATOM 0 H ASN A 26 6.748 17.773 -4.298 1.00 0.00 H new ATOM 0 HA ASN A 26 5.718 15.167 -5.143 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.281 16.241 -3.959 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.913 14.536 -3.791 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.890 15.352 -6.980 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.068 15.891 -5.307 1.00 0.00 H new ATOM 360 N TYR A 27 5.651 14.064 -2.718 1.00 0.00 N ATOM 361 CA TYR A 27 5.120 13.564 -1.456 1.00 0.00 C ATOM 362 C TYR A 27 6.222 13.453 -0.406 1.00 0.00 C ATOM 363 O TYR A 27 6.029 13.816 0.753 1.00 0.00 O ATOM 364 CB TYR A 27 4.456 12.202 -1.661 1.00 0.00 C ATOM 365 CG TYR A 27 2.986 12.290 -2.005 1.00 0.00 C ATOM 366 CD1 TYR A 27 2.072 12.822 -1.105 1.00 0.00 C ATOM 367 CD2 TYR A 27 2.512 11.841 -3.232 1.00 0.00 C ATOM 368 CE1 TYR A 27 0.728 12.903 -1.415 1.00 0.00 C ATOM 369 CE2 TYR A 27 1.171 11.920 -3.552 1.00 0.00 C ATOM 370 CZ TYR A 27 0.283 12.451 -2.640 1.00 0.00 C ATOM 371 OH TYR A 27 -1.055 12.532 -2.953 1.00 0.00 O ATOM 0 H TYR A 27 6.021 13.341 -3.335 1.00 0.00 H new ATOM 0 HA TYR A 27 4.374 14.274 -1.099 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.976 11.670 -2.458 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.573 11.610 -0.753 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.418 13.179 -0.146 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.205 11.423 -3.948 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.030 13.318 -0.703 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.820 11.568 -4.511 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.439 13.335 -2.543 1.00 0.00 H new ATOM 381 N GLY A 28 7.379 12.948 -0.824 1.00 0.00 N ATOM 382 CA GLY A 28 8.495 12.798 0.090 1.00 0.00 C ATOM 383 C GLY A 28 9.013 11.375 0.144 1.00 0.00 C ATOM 384 O GLY A 28 10.199 11.146 0.386 1.00 0.00 O ATOM 0 H GLY A 28 7.563 12.640 -1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.302 13.464 -0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.187 13.107 1.089 1.00 0.00 H new ATOM 388 N PHE A 29 8.123 10.414 -0.080 1.00 0.00 N ATOM 389 CA PHE A 29 8.496 9.004 -0.053 1.00 0.00 C ATOM 390 C PHE A 29 8.473 8.409 -1.458 1.00 0.00 C ATOM 391 O PHE A 29 8.048 9.059 -2.413 1.00 0.00 O ATOM 392 CB PHE A 29 7.551 8.222 0.861 1.00 0.00 C ATOM 393 CG PHE A 29 6.344 7.678 0.150 1.00 0.00 C ATOM 394 CD1 PHE A 29 5.329 8.524 -0.265 1.00 0.00 C ATOM 395 CD2 PHE A 29 6.225 6.321 -0.101 1.00 0.00 C ATOM 396 CE1 PHE A 29 4.217 8.027 -0.919 1.00 0.00 C ATOM 397 CE2 PHE A 29 5.116 5.818 -0.755 1.00 0.00 C ATOM 398 CZ PHE A 29 4.111 6.672 -1.164 1.00 0.00 C ATOM 0 H PHE A 29 7.138 10.586 -0.282 1.00 0.00 H new ATOM 0 HA PHE A 29 9.511 8.929 0.337 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.098 7.396 1.315 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.223 8.872 1.673 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.407 9.584 -0.075 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.008 5.648 0.218 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.432 8.697 -1.238 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.036 4.758 -0.946 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.243 6.281 -1.675 1.00 0.00 H new ATOM 408 N PHE A 30 8.934 7.168 -1.576 1.00 0.00 N ATOM 409 CA PHE A 30 8.967 6.484 -2.863 1.00 0.00 C ATOM 410 C PHE A 30 8.662 4.998 -2.698 1.00 0.00 C ATOM 411 O PHE A 30 8.744 4.454 -1.596 1.00 0.00 O ATOM 412 CB PHE A 30 10.335 6.665 -3.525 1.00 0.00 C ATOM 413 CG PHE A 30 10.725 8.103 -3.712 1.00 0.00 C ATOM 414 CD1 PHE A 30 9.928 8.960 -4.454 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.890 8.598 -3.147 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.284 10.284 -4.628 1.00 0.00 C ATOM 417 CE2 PHE A 30 12.250 9.921 -3.318 1.00 0.00 C ATOM 418 CZ PHE A 30 11.447 10.765 -4.060 1.00 0.00 C ATOM 0 H PHE A 30 9.290 6.616 -0.796 1.00 0.00 H new ATOM 0 HA PHE A 30 8.201 6.925 -3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.092 6.168 -2.918 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.328 6.170 -4.496 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.018 8.589 -4.902 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.523 7.943 -2.567 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.653 10.942 -5.208 1.00 0.00 H new ATOM 0 HE2 PHE A 30 13.159 10.295 -2.871 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.728 11.799 -4.196 1.00 0.00 H new ATOM 428 N LEU A 31 8.308 4.347 -3.801 1.00 0.00 N ATOM 429 CA LEU A 31 7.989 2.924 -3.780 1.00 0.00 C ATOM 430 C LEU A 31 9.151 2.097 -4.322 1.00 0.00 C ATOM 431 O LEU A 31 9.572 2.276 -5.465 1.00 0.00 O ATOM 432 CB LEU A 31 6.728 2.652 -4.601 1.00 0.00 C ATOM 433 CG LEU A 31 5.403 3.049 -3.948 1.00 0.00 C ATOM 434 CD1 LEU A 31 4.296 3.121 -4.988 1.00 0.00 C ATOM 435 CD2 LEU A 31 5.037 2.068 -2.844 1.00 0.00 C ATOM 0 H LEU A 31 8.235 4.782 -4.721 1.00 0.00 H new ATOM 0 HA LEU A 31 7.811 2.632 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.815 3.181 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.692 1.587 -4.832 1.00 0.00 H new ATOM 0 HG LEU A 31 5.521 4.037 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.361 3.405 -4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.554 3.863 -5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.178 2.147 -5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.092 2.366 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.938 1.067 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.819 2.067 -2.085 1.00 0.00 H new ATOM 447 N ARG A 32 9.663 1.192 -3.495 1.00 0.00 N ATOM 448 CA ARG A 32 10.775 0.337 -3.892 1.00 0.00 C ATOM 449 C ARG A 32 10.287 -1.068 -4.233 1.00 0.00 C ATOM 450 O ARG A 32 9.141 -1.422 -3.952 1.00 0.00 O ATOM 451 CB ARG A 32 11.818 0.269 -2.775 1.00 0.00 C ATOM 452 CG ARG A 32 12.696 1.507 -2.685 1.00 0.00 C ATOM 453 CD ARG A 32 13.732 1.538 -3.797 1.00 0.00 C ATOM 454 NE ARG A 32 14.828 0.605 -3.549 1.00 0.00 N ATOM 455 CZ ARG A 32 15.652 0.171 -4.497 1.00 0.00 C ATOM 456 NH1 ARG A 32 15.504 0.584 -5.748 1.00 0.00 N ATOM 457 NH2 ARG A 32 16.626 -0.677 -4.194 1.00 0.00 N ATOM 0 H ARG A 32 9.326 1.032 -2.546 1.00 0.00 H new ATOM 0 HA ARG A 32 11.233 0.769 -4.782 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.309 0.125 -1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.451 -0.604 -2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.074 2.400 -2.741 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.198 1.529 -1.718 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.254 1.292 -4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.130 2.548 -3.894 1.00 0.00 H new ATOM 0 HE ARG A 32 14.969 0.268 -2.597 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.756 1.236 -5.985 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.138 0.249 -6.474 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.743 -0.997 -3.232 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.258 -1.009 -4.923 1.00 0.00 H new ATOM 471 N ILE A 33 11.162 -1.862 -4.839 1.00 0.00 N ATOM 472 CA ILE A 33 10.820 -3.228 -5.217 1.00 0.00 C ATOM 473 C ILE A 33 11.914 -4.205 -4.800 1.00 0.00 C ATOM 474 O ILE A 33 13.102 -3.898 -4.893 1.00 0.00 O ATOM 475 CB ILE A 33 10.590 -3.351 -6.735 1.00 0.00 C ATOM 476 CG1 ILE A 33 11.796 -2.806 -7.502 1.00 0.00 C ATOM 477 CG2 ILE A 33 9.321 -2.615 -7.139 1.00 0.00 C ATOM 478 CD1 ILE A 33 12.856 -3.848 -7.781 1.00 0.00 C ATOM 0 H ILE A 33 12.113 -1.583 -5.079 1.00 0.00 H new ATOM 0 HA ILE A 33 9.896 -3.477 -4.696 1.00 0.00 H new ATOM 0 HB ILE A 33 10.471 -4.405 -6.986 1.00 0.00 H new ATOM 0 HG12 ILE A 33 11.455 -2.384 -8.447 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.241 -1.991 -6.932 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.172 -2.711 -8.214 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.468 -3.046 -6.614 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.413 -1.561 -6.878 1.00 0.00 H new ATOM 0 HD11 ILE A 33 13.681 -3.391 -8.328 1.00 0.00 H new ATOM 0 HD12 ILE A 33 13.225 -4.253 -6.839 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.427 -4.653 -8.378 1.00 0.00 H new ATOM 490 N GLU A 34 11.504 -5.383 -4.340 1.00 0.00 N ATOM 491 CA GLU A 34 12.451 -6.405 -3.909 1.00 0.00 C ATOM 492 C GLU A 34 12.124 -7.752 -4.547 1.00 0.00 C ATOM 493 O GLU A 34 11.032 -7.952 -5.080 1.00 0.00 O ATOM 494 CB GLU A 34 12.437 -6.534 -2.385 1.00 0.00 C ATOM 495 CG GLU A 34 13.424 -5.613 -1.687 1.00 0.00 C ATOM 496 CD GLU A 34 14.861 -6.074 -1.839 1.00 0.00 C ATOM 497 OE1 GLU A 34 15.178 -6.696 -2.874 1.00 0.00 O ATOM 498 OE2 GLU A 34 15.667 -5.813 -0.922 1.00 0.00 O ATOM 0 H GLU A 34 10.524 -5.653 -4.256 1.00 0.00 H new ATOM 0 HA GLU A 34 13.447 -6.101 -4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.433 -6.320 -2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.661 -7.566 -2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.325 -4.606 -2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.175 -5.556 -0.627 1.00 0.00 H new ATOM 505 N LYS A 35 13.080 -8.674 -4.490 1.00 0.00 N ATOM 506 CA LYS A 35 12.896 -10.003 -5.061 1.00 0.00 C ATOM 507 C LYS A 35 12.271 -10.951 -4.042 1.00 0.00 C ATOM 508 O LYS A 35 12.542 -10.857 -2.845 1.00 0.00 O ATOM 509 CB LYS A 35 14.236 -10.564 -5.541 1.00 0.00 C ATOM 510 CG LYS A 35 14.106 -11.844 -6.349 1.00 0.00 C ATOM 511 CD LYS A 35 15.462 -12.356 -6.805 1.00 0.00 C ATOM 512 CE LYS A 35 15.869 -11.745 -8.137 1.00 0.00 C ATOM 513 NZ LYS A 35 17.090 -12.392 -8.693 1.00 0.00 N ATOM 0 H LYS A 35 13.990 -8.525 -4.054 1.00 0.00 H new ATOM 0 HA LYS A 35 12.220 -9.916 -5.912 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.739 -9.811 -6.148 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.872 -10.753 -4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.612 -12.607 -5.747 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.473 -11.664 -7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 35 16.213 -12.121 -6.051 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.430 -13.442 -6.896 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.049 -11.845 -8.848 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.050 -10.678 -8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.335 -11.948 -9.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.879 -12.275 -8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.909 -13.405 -8.841 1.00 0.00 H new ATOM 527 N ASP A 36 11.437 -11.865 -4.525 1.00 0.00 N ATOM 528 CA ASP A 36 10.776 -12.833 -3.657 1.00 0.00 C ATOM 529 C ASP A 36 10.047 -12.130 -2.516 1.00 0.00 C ATOM 530 O ASP A 36 10.044 -12.605 -1.380 1.00 0.00 O ATOM 531 CB ASP A 36 11.796 -13.824 -3.093 1.00 0.00 C ATOM 532 CG ASP A 36 12.037 -14.997 -4.022 1.00 0.00 C ATOM 533 OD1 ASP A 36 12.748 -14.817 -5.032 1.00 0.00 O ATOM 534 OD2 ASP A 36 11.514 -16.096 -3.739 1.00 0.00 O ATOM 0 H ASP A 36 11.202 -11.956 -5.513 1.00 0.00 H new ATOM 0 HA ASP A 36 10.043 -13.377 -4.252 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.739 -13.308 -2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.445 -14.193 -2.129 1.00 0.00 H new ATOM 539 N THR A 37 9.430 -10.993 -2.826 1.00 0.00 N ATOM 540 CA THR A 37 8.700 -10.223 -1.827 1.00 0.00 C ATOM 541 C THR A 37 7.214 -10.159 -2.161 1.00 0.00 C ATOM 542 O THR A 37 6.774 -10.691 -3.180 1.00 0.00 O ATOM 543 CB THR A 37 9.251 -8.789 -1.710 1.00 0.00 C ATOM 544 OG1 THR A 37 9.811 -8.376 -2.961 1.00 0.00 O ATOM 545 CG2 THR A 37 10.310 -8.704 -0.621 1.00 0.00 C ATOM 0 H THR A 37 9.422 -10.586 -3.761 1.00 0.00 H new ATOM 0 HA THR A 37 8.834 -10.734 -0.874 1.00 0.00 H new ATOM 0 HB THR A 37 8.427 -8.127 -1.446 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.718 -7.405 -3.056 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.685 -7.682 -0.557 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.872 -8.991 0.335 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.133 -9.378 -0.860 1.00 0.00 H new ATOM 553 N ASP A 38 6.446 -9.505 -1.296 1.00 0.00 N ATOM 554 CA ASP A 38 5.009 -9.370 -1.501 1.00 0.00 C ATOM 555 C ASP A 38 4.592 -7.902 -1.479 1.00 0.00 C ATOM 556 O ASP A 38 4.923 -7.166 -0.550 1.00 0.00 O ATOM 557 CB ASP A 38 4.244 -10.146 -0.427 1.00 0.00 C ATOM 558 CG ASP A 38 2.745 -10.116 -0.649 1.00 0.00 C ATOM 559 OD1 ASP A 38 2.211 -9.028 -0.950 1.00 0.00 O ATOM 560 OD2 ASP A 38 2.104 -11.181 -0.520 1.00 0.00 O ATOM 0 H ASP A 38 6.795 -9.060 -0.447 1.00 0.00 H new ATOM 0 HA ASP A 38 4.766 -9.784 -2.480 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.586 -11.181 -0.417 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.472 -9.726 0.553 1.00 0.00 H new ATOM 565 N GLY A 39 3.865 -7.483 -2.510 1.00 0.00 N ATOM 566 CA GLY A 39 3.416 -6.105 -2.590 1.00 0.00 C ATOM 567 C GLY A 39 4.536 -5.152 -2.957 1.00 0.00 C ATOM 568 O GLY A 39 5.392 -5.475 -3.782 1.00 0.00 O ATOM 0 H GLY A 39 3.579 -8.073 -3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.620 -6.028 -3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.990 -5.808 -1.632 1.00 0.00 H new ATOM 572 N HIS A 40 4.531 -3.972 -2.344 1.00 0.00 N ATOM 573 CA HIS A 40 5.554 -2.967 -2.612 1.00 0.00 C ATOM 574 C HIS A 40 6.125 -2.412 -1.310 1.00 0.00 C ATOM 575 O HIS A 40 5.381 -2.072 -0.389 1.00 0.00 O ATOM 576 CB HIS A 40 4.974 -1.830 -3.454 1.00 0.00 C ATOM 577 CG HIS A 40 5.104 -2.050 -4.929 1.00 0.00 C ATOM 578 ND1 HIS A 40 6.257 -1.775 -5.633 1.00 0.00 N ATOM 579 CD2 HIS A 40 4.216 -2.524 -5.835 1.00 0.00 C ATOM 580 CE1 HIS A 40 6.073 -2.068 -6.908 1.00 0.00 C ATOM 581 NE2 HIS A 40 4.843 -2.526 -7.057 1.00 0.00 N ATOM 0 H HIS A 40 3.830 -3.689 -1.659 1.00 0.00 H new ATOM 0 HA HIS A 40 6.361 -3.445 -3.167 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.920 -1.706 -3.205 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.476 -0.900 -3.188 1.00 0.00 H new ATOM 0 HD1 HIS A 40 7.118 -1.403 -5.232 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.203 -2.841 -5.634 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.804 -1.953 -7.695 1.00 0.00 H new ATOM 590 N LEU A 41 7.448 -2.325 -1.241 1.00 0.00 N ATOM 591 CA LEU A 41 8.119 -1.812 -0.051 1.00 0.00 C ATOM 592 C LEU A 41 8.217 -0.290 -0.094 1.00 0.00 C ATOM 593 O LEU A 41 8.299 0.306 -1.169 1.00 0.00 O ATOM 594 CB LEU A 41 9.517 -2.421 0.072 1.00 0.00 C ATOM 595 CG LEU A 41 9.574 -3.935 0.277 1.00 0.00 C ATOM 596 CD1 LEU A 41 10.848 -4.508 -0.325 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.480 -4.278 1.757 1.00 0.00 C ATOM 0 H LEU A 41 8.078 -2.603 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 41 7.528 -2.095 0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.079 -2.175 -0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.028 -1.942 0.907 1.00 0.00 H new ATOM 0 HG LEU A 41 8.722 -4.383 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.871 -5.587 -0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.873 -4.295 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.714 -4.054 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.522 -5.360 1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.312 -3.818 2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.539 -3.902 2.158 1.00 0.00 H new ATOM 609 N ILE A 42 8.210 0.331 1.080 1.00 0.00 N ATOM 610 CA ILE A 42 8.302 1.783 1.176 1.00 0.00 C ATOM 611 C ILE A 42 9.572 2.207 1.905 1.00 0.00 C ATOM 612 O ILE A 42 9.886 1.690 2.977 1.00 0.00 O ATOM 613 CB ILE A 42 7.082 2.377 1.905 1.00 0.00 C ATOM 614 CG1 ILE A 42 5.794 2.030 1.156 1.00 0.00 C ATOM 615 CG2 ILE A 42 7.231 3.884 2.045 1.00 0.00 C ATOM 616 CD1 ILE A 42 4.551 2.127 2.014 1.00 0.00 C ATOM 0 H ILE A 42 8.142 -0.148 1.978 1.00 0.00 H new ATOM 0 HA ILE A 42 8.327 2.166 0.156 1.00 0.00 H new ATOM 0 HB ILE A 42 7.027 1.943 2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.689 2.698 0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.875 1.017 0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.361 4.289 2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.131 4.109 2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.308 4.335 1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.676 1.867 1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.635 1.438 2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.446 3.145 2.388 1.00 0.00 H new ATOM 628 N ARG A 43 10.298 3.152 1.317 1.00 0.00 N ATOM 629 CA ARG A 43 11.534 3.647 1.910 1.00 0.00 C ATOM 630 C ARG A 43 11.850 5.055 1.415 1.00 0.00 C ATOM 631 O ARG A 43 11.168 5.583 0.537 1.00 0.00 O ATOM 632 CB ARG A 43 12.695 2.706 1.581 1.00 0.00 C ATOM 633 CG ARG A 43 12.876 1.585 2.592 1.00 0.00 C ATOM 634 CD ARG A 43 14.139 0.784 2.315 1.00 0.00 C ATOM 635 NE ARG A 43 15.344 1.512 2.702 1.00 0.00 N ATOM 636 CZ ARG A 43 15.651 1.811 3.959 1.00 0.00 C ATOM 637 NH1 ARG A 43 14.844 1.446 4.946 1.00 0.00 N ATOM 638 NH2 ARG A 43 16.766 2.476 4.232 1.00 0.00 N ATOM 0 H ARG A 43 10.051 3.590 0.430 1.00 0.00 H new ATOM 0 HA ARG A 43 11.399 3.683 2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.531 2.271 0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.617 3.285 1.525 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.923 2.004 3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.010 0.923 2.562 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.096 -0.160 2.858 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.188 0.540 1.254 1.00 0.00 H new ATOM 0 HE ARG A 43 15.986 1.807 1.966 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.986 0.935 4.740 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.082 1.677 5.911 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.389 2.759 3.476 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.000 2.705 5.198 1.00 0.00 H new ATOM 652 N VAL A 44 12.889 5.658 1.984 1.00 0.00 N ATOM 653 CA VAL A 44 13.296 7.004 1.600 1.00 0.00 C ATOM 654 C VAL A 44 12.260 8.036 2.032 1.00 0.00 C ATOM 655 O VAL A 44 11.854 8.890 1.244 1.00 0.00 O ATOM 656 CB VAL A 44 13.509 7.114 0.079 1.00 0.00 C ATOM 657 CG1 VAL A 44 14.241 8.402 -0.266 1.00 0.00 C ATOM 658 CG2 VAL A 44 14.270 5.903 -0.440 1.00 0.00 C ATOM 0 H VAL A 44 13.464 5.235 2.713 1.00 0.00 H new ATOM 0 HA VAL A 44 14.240 7.205 2.107 1.00 0.00 H new ATOM 0 HB VAL A 44 12.534 7.138 -0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.383 8.462 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.653 9.256 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.212 8.412 0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.412 5.997 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.242 5.846 0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.702 4.997 -0.226 1.00 0.00 H new ATOM 668 N ILE A 45 11.837 7.950 3.289 1.00 0.00 N ATOM 669 CA ILE A 45 10.849 8.878 3.827 1.00 0.00 C ATOM 670 C ILE A 45 11.517 10.128 4.389 1.00 0.00 C ATOM 671 O ILE A 45 12.080 10.103 5.483 1.00 0.00 O ATOM 672 CB ILE A 45 10.002 8.220 4.933 1.00 0.00 C ATOM 673 CG1 ILE A 45 9.317 6.960 4.400 1.00 0.00 C ATOM 674 CG2 ILE A 45 8.972 9.204 5.467 1.00 0.00 C ATOM 675 CD1 ILE A 45 8.665 6.125 5.479 1.00 0.00 C ATOM 0 H ILE A 45 12.163 7.248 3.953 1.00 0.00 H new ATOM 0 HA ILE A 45 10.197 9.159 3.000 1.00 0.00 H new ATOM 0 HB ILE A 45 10.661 7.933 5.753 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.562 7.248 3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.053 6.351 3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.381 8.725 6.248 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.481 10.075 5.880 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.315 9.519 4.656 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.199 5.248 5.029 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.420 5.806 6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.906 6.718 5.989 1.00 0.00 H new ATOM 687 N GLU A 46 11.449 11.220 3.634 1.00 0.00 N ATOM 688 CA GLU A 46 12.047 12.480 4.058 1.00 0.00 C ATOM 689 C GLU A 46 11.374 13.002 5.324 1.00 0.00 C ATOM 690 O GLU A 46 10.208 12.709 5.586 1.00 0.00 O ATOM 691 CB GLU A 46 11.938 13.522 2.943 1.00 0.00 C ATOM 692 CG GLU A 46 13.019 14.589 3.000 1.00 0.00 C ATOM 693 CD GLU A 46 14.369 14.077 2.535 1.00 0.00 C ATOM 694 OE1 GLU A 46 15.010 13.322 3.295 1.00 0.00 O ATOM 695 OE2 GLU A 46 14.783 14.432 1.412 1.00 0.00 O ATOM 0 H GLU A 46 10.986 11.257 2.726 1.00 0.00 H new ATOM 0 HA GLU A 46 13.100 12.299 4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.988 13.017 1.979 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.961 14.003 3.000 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.722 15.435 2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.107 14.958 4.022 1.00 0.00 H new ATOM 702 N GLU A 47 12.119 13.777 6.107 1.00 0.00 N ATOM 703 CA GLU A 47 11.596 14.338 7.346 1.00 0.00 C ATOM 704 C GLU A 47 10.644 15.496 7.060 1.00 0.00 C ATOM 705 O GLU A 47 10.709 16.121 6.002 1.00 0.00 O ATOM 706 CB GLU A 47 12.742 14.816 8.240 1.00 0.00 C ATOM 707 CG GLU A 47 12.303 15.187 9.647 1.00 0.00 C ATOM 708 CD GLU A 47 13.394 15.888 10.432 1.00 0.00 C ATOM 709 OE1 GLU A 47 14.305 16.464 9.801 1.00 0.00 O ATOM 710 OE2 GLU A 47 13.337 15.860 11.680 1.00 0.00 O ATOM 0 H GLU A 47 13.086 14.030 5.904 1.00 0.00 H new ATOM 0 HA GLU A 47 11.043 13.554 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.497 14.032 8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.216 15.681 7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.427 15.834 9.592 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.000 14.285 10.179 1.00 0.00 H new ATOM 717 N GLY A 48 9.758 15.776 8.012 1.00 0.00 N ATOM 718 CA GLY A 48 8.805 16.857 7.843 1.00 0.00 C ATOM 719 C GLY A 48 8.068 16.779 6.520 1.00 0.00 C ATOM 720 O GLY A 48 7.636 17.799 5.982 1.00 0.00 O ATOM 0 H GLY A 48 9.684 15.273 8.896 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.083 16.832 8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.327 17.811 7.909 1.00 0.00 H new ATOM 724 N SER A 49 7.926 15.567 5.994 1.00 0.00 N ATOM 725 CA SER A 49 7.242 15.361 4.723 1.00 0.00 C ATOM 726 C SER A 49 5.807 14.894 4.948 1.00 0.00 C ATOM 727 O SER A 49 5.475 14.294 5.971 1.00 0.00 O ATOM 728 CB SER A 49 7.996 14.336 3.874 1.00 0.00 C ATOM 729 OG SER A 49 7.578 13.016 4.176 1.00 0.00 O ATOM 0 H SER A 49 8.275 14.713 6.428 1.00 0.00 H new ATOM 0 HA SER A 49 7.217 16.313 4.193 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.828 14.541 2.817 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.067 14.431 4.051 1.00 0.00 H new ATOM 0 HG SER A 49 8.270 12.567 4.706 1.00 0.00 H new ATOM 735 N PRO A 50 4.933 15.175 3.970 1.00 0.00 N ATOM 736 CA PRO A 50 3.520 14.793 4.037 1.00 0.00 C ATOM 737 C PRO A 50 3.320 13.287 3.916 1.00 0.00 C ATOM 738 O PRO A 50 2.213 12.781 4.099 1.00 0.00 O ATOM 739 CB PRO A 50 2.901 15.513 2.836 1.00 0.00 C ATOM 740 CG PRO A 50 4.029 15.694 1.880 1.00 0.00 C ATOM 741 CD PRO A 50 5.259 15.887 2.723 1.00 0.00 C ATOM 0 HA PRO A 50 3.070 15.063 4.992 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.097 14.925 2.393 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.471 16.471 3.127 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.133 14.825 1.231 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.859 16.556 1.234 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.145 15.471 2.243 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.461 16.943 2.904 1.00 0.00 H new ATOM 749 N ALA A 51 4.398 12.574 3.606 1.00 0.00 N ATOM 750 CA ALA A 51 4.342 11.125 3.463 1.00 0.00 C ATOM 751 C ALA A 51 4.513 10.433 4.812 1.00 0.00 C ATOM 752 O ALA A 51 4.034 9.318 5.012 1.00 0.00 O ATOM 753 CB ALA A 51 5.405 10.649 2.485 1.00 0.00 C ATOM 0 H ALA A 51 5.322 12.977 3.449 1.00 0.00 H new ATOM 0 HA ALA A 51 3.360 10.861 3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.351 9.565 2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.236 11.109 1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.391 10.932 2.853 1.00 0.00 H new ATOM 759 N GLU A 52 5.200 11.102 5.732 1.00 0.00 N ATOM 760 CA GLU A 52 5.436 10.550 7.061 1.00 0.00 C ATOM 761 C GLU A 52 4.312 10.937 8.018 1.00 0.00 C ATOM 762 O GLU A 52 3.856 10.123 8.820 1.00 0.00 O ATOM 763 CB GLU A 52 6.778 11.037 7.609 1.00 0.00 C ATOM 764 CG GLU A 52 7.282 10.228 8.793 1.00 0.00 C ATOM 765 CD GLU A 52 8.735 10.513 9.119 1.00 0.00 C ATOM 766 OE1 GLU A 52 9.526 10.719 8.175 1.00 0.00 O ATOM 767 OE2 GLU A 52 9.081 10.532 10.319 1.00 0.00 O ATOM 0 H GLU A 52 5.603 12.027 5.582 1.00 0.00 H new ATOM 0 HA GLU A 52 5.460 9.464 6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.521 11.001 6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.682 12.081 7.908 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.668 10.448 9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.163 9.166 8.579 1.00 0.00 H new ATOM 774 N LYS A 53 3.870 12.187 7.927 1.00 0.00 N ATOM 775 CA LYS A 53 2.800 12.685 8.783 1.00 0.00 C ATOM 776 C LYS A 53 1.670 11.665 8.890 1.00 0.00 C ATOM 777 O LYS A 53 0.896 11.680 9.847 1.00 0.00 O ATOM 778 CB LYS A 53 2.257 14.008 8.239 1.00 0.00 C ATOM 779 CG LYS A 53 1.551 13.872 6.902 1.00 0.00 C ATOM 780 CD LYS A 53 0.836 15.156 6.515 1.00 0.00 C ATOM 781 CE LYS A 53 0.097 15.006 5.194 1.00 0.00 C ATOM 782 NZ LYS A 53 -0.792 13.812 5.187 1.00 0.00 N ATOM 0 H LYS A 53 4.237 12.874 7.268 1.00 0.00 H new ATOM 0 HA LYS A 53 3.212 12.851 9.778 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.563 14.432 8.965 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.081 14.714 8.135 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.277 13.612 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.832 13.055 6.951 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.130 15.431 7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.559 15.968 6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.496 15.901 5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.819 14.926 4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.480 13.896 4.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.220 12.954 5.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.298 13.751 6.094 1.00 0.00 H new ATOM 796 N ALA A 54 1.583 10.780 7.903 1.00 0.00 N ATOM 797 CA ALA A 54 0.550 9.751 7.888 1.00 0.00 C ATOM 798 C ALA A 54 1.026 8.486 8.593 1.00 0.00 C ATOM 799 O ALA A 54 0.651 7.376 8.217 1.00 0.00 O ATOM 800 CB ALA A 54 0.138 9.438 6.457 1.00 0.00 C ATOM 0 H ALA A 54 2.215 10.755 7.103 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.317 10.132 8.428 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.634 8.668 6.461 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.251 10.340 5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.004 9.081 5.899 1.00 0.00 H new ATOM 806 N GLY A 55 1.855 8.660 9.618 1.00 0.00 N ATOM 807 CA GLY A 55 2.369 7.523 10.358 1.00 0.00 C ATOM 808 C GLY A 55 2.996 6.479 9.456 1.00 0.00 C ATOM 809 O GLY A 55 3.103 5.310 9.827 1.00 0.00 O ATOM 0 H GLY A 55 2.180 9.569 9.949 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.110 7.868 11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.559 7.067 10.927 1.00 0.00 H new ATOM 813 N LEU A 56 3.410 6.900 8.266 1.00 0.00 N ATOM 814 CA LEU A 56 4.029 5.992 7.306 1.00 0.00 C ATOM 815 C LEU A 56 5.515 5.817 7.602 1.00 0.00 C ATOM 816 O LEU A 56 6.270 6.789 7.642 1.00 0.00 O ATOM 817 CB LEU A 56 3.840 6.518 5.882 1.00 0.00 C ATOM 818 CG LEU A 56 3.784 5.461 4.778 1.00 0.00 C ATOM 819 CD1 LEU A 56 2.559 4.577 4.948 1.00 0.00 C ATOM 820 CD2 LEU A 56 3.782 6.122 3.407 1.00 0.00 C ATOM 0 H LEU A 56 3.328 7.864 7.943 1.00 0.00 H new ATOM 0 HA LEU A 56 3.542 5.021 7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.917 7.098 5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.656 7.205 5.659 1.00 0.00 H new ATOM 0 HG LEU A 56 4.672 4.834 4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.536 3.831 4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.603 4.076 5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.659 5.189 4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.742 5.355 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.912 6.773 3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.691 6.712 3.286 1.00 0.00 H new ATOM 832 N LEU A 57 5.929 4.571 7.807 1.00 0.00 N ATOM 833 CA LEU A 57 7.326 4.267 8.097 1.00 0.00 C ATOM 834 C LEU A 57 7.868 3.222 7.127 1.00 0.00 C ATOM 835 O LEU A 57 7.122 2.383 6.622 1.00 0.00 O ATOM 836 CB LEU A 57 7.471 3.769 9.536 1.00 0.00 C ATOM 837 CG LEU A 57 7.483 4.846 10.621 1.00 0.00 C ATOM 838 CD1 LEU A 57 6.070 5.326 10.912 1.00 0.00 C ATOM 839 CD2 LEU A 57 8.141 4.319 11.888 1.00 0.00 C ATOM 0 H LEU A 57 5.317 3.755 7.778 1.00 0.00 H new ATOM 0 HA LEU A 57 7.905 5.182 7.976 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.653 3.080 9.745 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.396 3.197 9.610 1.00 0.00 H new ATOM 0 HG LEU A 57 8.065 5.693 10.259 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.098 6.092 11.687 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.633 5.743 10.005 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.464 4.487 11.254 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.141 5.099 12.650 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.586 3.455 12.254 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.168 4.025 11.670 1.00 0.00 H new ATOM 851 N ASP A 58 9.171 3.277 6.874 1.00 0.00 N ATOM 852 CA ASP A 58 9.814 2.333 5.968 1.00 0.00 C ATOM 853 C ASP A 58 9.466 0.896 6.343 1.00 0.00 C ATOM 854 O ASP A 58 9.143 0.605 7.494 1.00 0.00 O ATOM 855 CB ASP A 58 11.332 2.526 5.989 1.00 0.00 C ATOM 856 CG ASP A 58 11.924 2.301 7.367 1.00 0.00 C ATOM 857 OD1 ASP A 58 11.372 2.846 8.345 1.00 0.00 O ATOM 858 OD2 ASP A 58 12.940 1.581 7.466 1.00 0.00 O ATOM 0 H ASP A 58 9.802 3.965 7.284 1.00 0.00 H new ATOM 0 HA ASP A 58 9.445 2.526 4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.793 1.837 5.281 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.572 3.535 5.654 1.00 0.00 H new ATOM 863 N GLY A 59 9.533 0.000 5.363 1.00 0.00 N ATOM 864 CA GLY A 59 9.222 -1.395 5.610 1.00 0.00 C ATOM 865 C GLY A 59 7.771 -1.726 5.318 1.00 0.00 C ATOM 866 O GLY A 59 7.456 -2.829 4.873 1.00 0.00 O ATOM 0 H GLY A 59 9.797 0.216 4.402 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.866 -2.022 4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.444 -1.635 6.650 1.00 0.00 H new ATOM 870 N ASP A 60 6.886 -0.768 5.571 1.00 0.00 N ATOM 871 CA ASP A 60 5.460 -0.963 5.333 1.00 0.00 C ATOM 872 C ASP A 60 5.199 -1.344 3.879 1.00 0.00 C ATOM 873 O ASP A 60 5.936 -0.941 2.979 1.00 0.00 O ATOM 874 CB ASP A 60 4.684 0.307 5.688 1.00 0.00 C ATOM 875 CG ASP A 60 4.517 0.484 7.184 1.00 0.00 C ATOM 876 OD1 ASP A 60 5.465 0.972 7.833 1.00 0.00 O ATOM 877 OD2 ASP A 60 3.438 0.133 7.707 1.00 0.00 O ATOM 0 H ASP A 60 7.130 0.151 5.941 1.00 0.00 H new ATOM 0 HA ASP A 60 5.118 -1.779 5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.204 1.173 5.278 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.702 0.273 5.217 1.00 0.00 H new ATOM 882 N ARG A 61 4.146 -2.124 3.658 1.00 0.00 N ATOM 883 CA ARG A 61 3.788 -2.562 2.314 1.00 0.00 C ATOM 884 C ARG A 61 2.408 -2.043 1.922 1.00 0.00 C ATOM 885 O ARG A 61 1.477 -2.055 2.727 1.00 0.00 O ATOM 886 CB ARG A 61 3.814 -4.089 2.228 1.00 0.00 C ATOM 887 CG ARG A 61 5.174 -4.655 1.854 1.00 0.00 C ATOM 888 CD ARG A 61 6.041 -4.881 3.083 1.00 0.00 C ATOM 889 NE ARG A 61 5.865 -6.221 3.637 1.00 0.00 N ATOM 890 CZ ARG A 61 6.419 -7.310 3.117 1.00 0.00 C ATOM 891 NH1 ARG A 61 7.180 -7.219 2.035 1.00 0.00 N ATOM 892 NH2 ARG A 61 6.212 -8.495 3.678 1.00 0.00 N ATOM 0 H ARG A 61 3.526 -2.466 4.392 1.00 0.00 H new ATOM 0 HA ARG A 61 4.521 -2.153 1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.509 -4.504 3.189 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.079 -4.416 1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.043 -5.597 1.322 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.679 -3.971 1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.088 -4.732 2.820 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.794 -4.139 3.842 1.00 0.00 H new ATOM 0 HE ARG A 61 5.285 -6.326 4.469 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.341 -6.311 1.600 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.604 -8.057 1.638 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.627 -8.570 4.510 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.638 -9.330 3.277 1.00 0.00 H new ATOM 906 N VAL A 62 2.283 -1.587 0.680 1.00 0.00 N ATOM 907 CA VAL A 62 1.017 -1.064 0.180 1.00 0.00 C ATOM 908 C VAL A 62 0.151 -2.179 -0.395 1.00 0.00 C ATOM 909 O VAL A 62 0.562 -2.889 -1.314 1.00 0.00 O ATOM 910 CB VAL A 62 1.240 0.008 -0.903 1.00 0.00 C ATOM 911 CG1 VAL A 62 2.384 -0.392 -1.822 1.00 0.00 C ATOM 912 CG2 VAL A 62 -0.037 0.237 -1.696 1.00 0.00 C ATOM 0 H VAL A 62 3.044 -1.569 0.001 1.00 0.00 H new ATOM 0 HA VAL A 62 0.505 -0.611 1.029 1.00 0.00 H new ATOM 0 HB VAL A 62 1.509 0.944 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.527 0.377 -2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.298 -0.501 -1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.148 -1.340 -2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.139 0.997 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.339 -0.694 -2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.827 0.572 -1.024 1.00 0.00 H new ATOM 922 N LEU A 63 -1.051 -2.328 0.151 1.00 0.00 N ATOM 923 CA LEU A 63 -1.978 -3.357 -0.308 1.00 0.00 C ATOM 924 C LEU A 63 -2.776 -2.873 -1.514 1.00 0.00 C ATOM 925 O LEU A 63 -2.826 -3.541 -2.547 1.00 0.00 O ATOM 926 CB LEU A 63 -2.930 -3.755 0.821 1.00 0.00 C ATOM 927 CG LEU A 63 -2.272 -4.237 2.115 1.00 0.00 C ATOM 928 CD1 LEU A 63 -3.233 -4.101 3.285 1.00 0.00 C ATOM 929 CD2 LEU A 63 -1.805 -5.679 1.970 1.00 0.00 C ATOM 0 H LEU A 63 -1.407 -1.749 0.912 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.395 -4.228 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.562 -2.898 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.586 -4.544 0.455 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.401 -3.612 2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.748 -4.449 4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.518 -3.056 3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.123 -4.701 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.339 -6.006 2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.660 -6.318 1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.081 -5.747 1.158 1.00 0.00 H new ATOM 941 N ARG A 64 -3.396 -1.706 -1.377 1.00 0.00 N ATOM 942 CA ARG A 64 -4.190 -1.131 -2.456 1.00 0.00 C ATOM 943 C ARG A 64 -3.852 0.344 -2.654 1.00 0.00 C ATOM 944 O ARG A 64 -3.735 1.099 -1.689 1.00 0.00 O ATOM 945 CB ARG A 64 -5.683 -1.287 -2.157 1.00 0.00 C ATOM 946 CG ARG A 64 -6.142 -2.734 -2.089 1.00 0.00 C ATOM 947 CD ARG A 64 -7.606 -2.835 -1.690 1.00 0.00 C ATOM 948 NE ARG A 64 -8.246 -4.022 -2.252 1.00 0.00 N ATOM 949 CZ ARG A 64 -8.770 -4.067 -3.472 1.00 0.00 C ATOM 950 NH1 ARG A 64 -8.730 -2.997 -4.254 1.00 0.00 N ATOM 951 NH2 ARG A 64 -9.335 -5.184 -3.912 1.00 0.00 N ATOM 0 H ARG A 64 -3.364 -1.140 -0.529 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.951 -1.667 -3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.908 -0.798 -1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.255 -0.769 -2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.994 -3.210 -3.058 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.529 -3.278 -1.370 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.685 -2.861 -0.603 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.136 -1.944 -2.027 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.293 -4.862 -1.676 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.296 -2.137 -3.919 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.133 -3.034 -5.190 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.367 -6.009 -3.313 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.737 -5.217 -4.849 1.00 0.00 H new ATOM 965 N ILE A 65 -3.695 0.745 -3.911 1.00 0.00 N ATOM 966 CA ILE A 65 -3.370 2.128 -4.236 1.00 0.00 C ATOM 967 C ILE A 65 -4.582 2.859 -4.804 1.00 0.00 C ATOM 968 O ILE A 65 -5.152 2.445 -5.813 1.00 0.00 O ATOM 969 CB ILE A 65 -2.213 2.212 -5.249 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.485 3.551 -5.116 1.00 0.00 C ATOM 971 CG2 ILE A 65 -2.735 2.026 -6.666 1.00 0.00 C ATOM 972 CD1 ILE A 65 -2.408 4.749 -5.172 1.00 0.00 C ATOM 0 H ILE A 65 -3.788 0.132 -4.721 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.063 2.606 -3.306 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.504 1.412 -5.035 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.939 3.567 -4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.746 3.634 -5.913 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.905 2.088 -7.370 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.212 1.050 -6.753 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.462 2.807 -6.892 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.824 5.664 -5.071 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.935 4.758 -6.126 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.131 4.689 -4.359 1.00 0.00 H new ATOM 984 N ASN A 66 -4.970 3.949 -4.149 1.00 0.00 N ATOM 985 CA ASN A 66 -6.114 4.738 -4.590 1.00 0.00 C ATOM 986 C ASN A 66 -7.319 3.844 -4.864 1.00 0.00 C ATOM 987 O ASN A 66 -8.150 4.149 -5.719 1.00 0.00 O ATOM 988 CB ASN A 66 -5.757 5.534 -5.847 1.00 0.00 C ATOM 989 CG ASN A 66 -6.594 6.790 -5.993 1.00 0.00 C ATOM 990 OD1 ASN A 66 -7.270 6.985 -7.003 1.00 0.00 O ATOM 991 ND2 ASN A 66 -6.550 7.651 -4.982 1.00 0.00 N ATOM 0 H ASN A 66 -4.509 4.305 -3.312 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.375 5.432 -3.791 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.702 5.806 -5.814 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.897 4.903 -6.725 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.091 8.515 -5.024 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.976 7.448 -4.164 1.00 0.00 H new ATOM 998 N GLY A 67 -7.407 2.737 -4.133 1.00 0.00 N ATOM 999 CA GLY A 67 -8.513 1.815 -4.312 1.00 0.00 C ATOM 1000 C GLY A 67 -8.259 0.812 -5.420 1.00 0.00 C ATOM 1001 O GLY A 67 -9.137 0.545 -6.239 1.00 0.00 O ATOM 0 H GLY A 67 -6.732 2.462 -3.420 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.692 1.282 -3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.419 2.378 -4.537 1.00 0.00 H new ATOM 1005 N VAL A 68 -7.052 0.256 -5.446 1.00 0.00 N ATOM 1006 CA VAL A 68 -6.683 -0.723 -6.462 1.00 0.00 C ATOM 1007 C VAL A 68 -5.566 -1.635 -5.967 1.00 0.00 C ATOM 1008 O VAL A 68 -4.435 -1.194 -5.764 1.00 0.00 O ATOM 1009 CB VAL A 68 -6.232 -0.037 -7.765 1.00 0.00 C ATOM 1010 CG1 VAL A 68 -5.807 -1.073 -8.795 1.00 0.00 C ATOM 1011 CG2 VAL A 68 -7.341 0.848 -8.313 1.00 0.00 C ATOM 0 H VAL A 68 -6.313 0.467 -4.775 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.572 -1.320 -6.664 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.371 0.594 -7.543 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.492 -0.569 -9.709 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.978 -1.660 -8.400 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.646 -1.733 -9.015 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.005 1.325 -9.234 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.222 0.241 -8.520 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.592 1.614 -7.579 1.00 0.00 H new ATOM 1021 N PHE A 69 -5.891 -2.909 -5.776 1.00 0.00 N ATOM 1022 CA PHE A 69 -4.915 -3.884 -5.304 1.00 0.00 C ATOM 1023 C PHE A 69 -3.774 -4.040 -6.305 1.00 0.00 C ATOM 1024 O PHE A 69 -3.924 -4.694 -7.337 1.00 0.00 O ATOM 1025 CB PHE A 69 -5.588 -5.237 -5.066 1.00 0.00 C ATOM 1026 CG PHE A 69 -4.832 -6.124 -4.119 1.00 0.00 C ATOM 1027 CD1 PHE A 69 -4.508 -5.684 -2.845 1.00 0.00 C ATOM 1028 CD2 PHE A 69 -4.446 -7.399 -4.501 1.00 0.00 C ATOM 1029 CE1 PHE A 69 -3.811 -6.499 -1.972 1.00 0.00 C ATOM 1030 CE2 PHE A 69 -3.750 -8.218 -3.632 1.00 0.00 C ATOM 1031 CZ PHE A 69 -3.433 -7.767 -2.366 1.00 0.00 C ATOM 0 H PHE A 69 -6.823 -3.290 -5.941 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.502 -3.521 -4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.591 -5.071 -4.673 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.701 -5.751 -6.021 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.803 -4.694 -2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.692 -7.757 -5.490 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.563 -6.144 -0.983 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.455 -9.209 -3.943 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.890 -8.405 -1.685 1.00 0.00 H new ATOM 1041 N VAL A 70 -2.633 -3.434 -5.993 1.00 0.00 N ATOM 1042 CA VAL A 70 -1.466 -3.505 -6.864 1.00 0.00 C ATOM 1043 C VAL A 70 -0.380 -4.385 -6.256 1.00 0.00 C ATOM 1044 O VAL A 70 0.811 -4.101 -6.390 1.00 0.00 O ATOM 1045 CB VAL A 70 -0.884 -2.105 -7.138 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -1.918 -1.221 -7.819 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -0.395 -1.470 -5.846 1.00 0.00 C ATOM 0 H VAL A 70 -2.492 -2.888 -5.143 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.799 -3.942 -7.805 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.032 -2.209 -7.810 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.489 -0.236 -8.005 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.215 -1.672 -8.766 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.792 -1.121 -7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.013 -0.482 -6.058 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.227 -1.377 -5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.381 -2.095 -5.404 1.00 0.00 H new ATOM 1057 N ASP A 71 -0.797 -5.455 -5.589 1.00 0.00 N ATOM 1058 CA ASP A 71 0.140 -6.379 -4.962 1.00 0.00 C ATOM 1059 C ASP A 71 0.902 -7.179 -6.014 1.00 0.00 C ATOM 1060 O ASP A 71 2.127 -7.283 -5.964 1.00 0.00 O ATOM 1061 CB ASP A 71 -0.600 -7.328 -4.019 1.00 0.00 C ATOM 1062 CG ASP A 71 0.330 -8.320 -3.348 1.00 0.00 C ATOM 1063 OD1 ASP A 71 1.363 -8.668 -3.956 1.00 0.00 O ATOM 1064 OD2 ASP A 71 0.024 -8.749 -2.215 1.00 0.00 O ATOM 0 H ASP A 71 -1.779 -5.704 -5.469 1.00 0.00 H new ATOM 0 HA ASP A 71 0.858 -5.794 -4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.118 -6.747 -3.256 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.362 -7.870 -4.579 1.00 0.00 H new ATOM 1069 N LYS A 72 0.167 -7.744 -6.966 1.00 0.00 N ATOM 1070 CA LYS A 72 0.771 -8.535 -8.032 1.00 0.00 C ATOM 1071 C LYS A 72 1.201 -7.645 -9.193 1.00 0.00 C ATOM 1072 O LYS A 72 2.071 -8.015 -9.981 1.00 0.00 O ATOM 1073 CB LYS A 72 -0.212 -9.598 -8.527 1.00 0.00 C ATOM 1074 CG LYS A 72 -0.260 -10.837 -7.650 1.00 0.00 C ATOM 1075 CD LYS A 72 1.042 -11.618 -7.718 1.00 0.00 C ATOM 1076 CE LYS A 72 0.821 -13.096 -7.435 1.00 0.00 C ATOM 1077 NZ LYS A 72 0.123 -13.778 -8.560 1.00 0.00 N ATOM 0 H LYS A 72 -0.849 -7.669 -7.021 1.00 0.00 H new ATOM 0 HA LYS A 72 1.655 -9.028 -7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.210 -9.162 -8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.062 -9.891 -9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.458 -10.546 -6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.085 -11.475 -7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.488 -11.498 -8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.750 -11.210 -6.997 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.782 -13.579 -7.257 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.235 -13.207 -6.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.257 -14.806 -8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.893 -13.557 -8.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.516 -13.447 -9.464 1.00 0.00 H new ATOM 1091 N GLU A 73 0.587 -6.470 -9.292 1.00 0.00 N ATOM 1092 CA GLU A 73 0.908 -5.527 -10.357 1.00 0.00 C ATOM 1093 C GLU A 73 2.409 -5.255 -10.409 1.00 0.00 C ATOM 1094 O GLU A 73 3.167 -5.741 -9.570 1.00 0.00 O ATOM 1095 CB GLU A 73 0.147 -4.215 -10.154 1.00 0.00 C ATOM 1096 CG GLU A 73 -1.346 -4.331 -10.413 1.00 0.00 C ATOM 1097 CD GLU A 73 -2.025 -2.980 -10.523 1.00 0.00 C ATOM 1098 OE1 GLU A 73 -1.372 -2.022 -10.986 1.00 0.00 O ATOM 1099 OE2 GLU A 73 -3.211 -2.881 -10.145 1.00 0.00 O ATOM 0 H GLU A 73 -0.135 -6.149 -8.648 1.00 0.00 H new ATOM 0 HA GLU A 73 0.604 -5.972 -11.305 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.304 -3.868 -9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.564 -3.456 -10.816 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.509 -4.891 -11.334 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.808 -4.901 -9.607 1.00 0.00 H new ATOM 1106 N GLU A 74 2.829 -4.476 -11.401 1.00 0.00 N ATOM 1107 CA GLU A 74 4.239 -4.140 -11.563 1.00 0.00 C ATOM 1108 C GLU A 74 4.514 -2.712 -11.103 1.00 0.00 C ATOM 1109 O GLU A 74 3.613 -1.873 -11.072 1.00 0.00 O ATOM 1110 CB GLU A 74 4.661 -4.308 -13.024 1.00 0.00 C ATOM 1111 CG GLU A 74 6.166 -4.278 -13.230 1.00 0.00 C ATOM 1112 CD GLU A 74 6.552 -4.102 -14.686 1.00 0.00 C ATOM 1113 OE1 GLU A 74 5.857 -3.347 -15.396 1.00 0.00 O ATOM 1114 OE2 GLU A 74 7.549 -4.720 -15.114 1.00 0.00 O ATOM 0 H GLU A 74 2.214 -4.066 -12.104 1.00 0.00 H new ATOM 0 HA GLU A 74 4.822 -4.821 -10.943 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.270 -5.254 -13.400 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.206 -3.516 -13.618 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.593 -3.464 -12.644 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.599 -5.204 -12.853 1.00 0.00 H new ATOM 1121 N HIS A 75 5.766 -2.442 -10.747 1.00 0.00 N ATOM 1122 CA HIS A 75 6.161 -1.115 -10.288 1.00 0.00 C ATOM 1123 C HIS A 75 5.587 -0.033 -11.197 1.00 0.00 C ATOM 1124 O HIS A 75 4.917 0.890 -10.733 1.00 0.00 O ATOM 1125 CB HIS A 75 7.686 -1.001 -10.242 1.00 0.00 C ATOM 1126 CG HIS A 75 8.173 0.347 -9.808 1.00 0.00 C ATOM 1127 ND1 HIS A 75 7.818 0.924 -8.607 1.00 0.00 N ATOM 1128 CD2 HIS A 75 8.993 1.231 -10.422 1.00 0.00 C ATOM 1129 CE1 HIS A 75 8.398 2.107 -8.502 1.00 0.00 C ATOM 1130 NE2 HIS A 75 9.117 2.317 -9.590 1.00 0.00 N ATOM 0 H HIS A 75 6.524 -3.124 -10.768 1.00 0.00 H new ATOM 0 HA HIS A 75 5.762 -0.971 -9.284 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.078 -1.756 -9.561 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.089 -1.223 -11.230 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.463 1.106 -11.387 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.301 2.787 -7.668 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.674 3.150 -9.781 1.00 0.00 H new ATOM 1139 N ALA A 76 5.853 -0.152 -12.494 1.00 0.00 N ATOM 1140 CA ALA A 76 5.362 0.815 -13.467 1.00 0.00 C ATOM 1141 C ALA A 76 3.844 0.942 -13.396 1.00 0.00 C ATOM 1142 O ALA A 76 3.296 2.032 -13.558 1.00 0.00 O ATOM 1143 CB ALA A 76 5.794 0.418 -14.871 1.00 0.00 C ATOM 0 H ALA A 76 6.406 -0.909 -12.895 1.00 0.00 H new ATOM 0 HA ALA A 76 5.794 1.786 -13.227 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.420 1.150 -15.587 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.882 0.385 -14.921 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.390 -0.565 -15.112 1.00 0.00 H new ATOM 1149 N GLN A 77 3.171 -0.178 -13.152 1.00 0.00 N ATOM 1150 CA GLN A 77 1.716 -0.190 -13.061 1.00 0.00 C ATOM 1151 C GLN A 77 1.239 0.618 -11.859 1.00 0.00 C ATOM 1152 O GLN A 77 0.303 1.412 -11.964 1.00 0.00 O ATOM 1153 CB GLN A 77 1.202 -1.628 -12.961 1.00 0.00 C ATOM 1154 CG GLN A 77 0.911 -2.266 -14.309 1.00 0.00 C ATOM 1155 CD GLN A 77 -0.057 -1.450 -15.143 1.00 0.00 C ATOM 1156 OE1 GLN A 77 -1.273 -1.620 -15.047 1.00 0.00 O ATOM 1157 NE2 GLN A 77 0.478 -0.559 -15.969 1.00 0.00 N ATOM 0 H GLN A 77 3.610 -1.088 -13.014 1.00 0.00 H new ATOM 0 HA GLN A 77 1.317 0.269 -13.965 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.940 -2.233 -12.434 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.293 -1.639 -12.360 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.845 -2.388 -14.858 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.500 -3.263 -14.154 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.491 -0.451 -16.016 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.124 0.018 -16.556 1.00 0.00 H new ATOM 1166 N VAL A 78 1.888 0.411 -10.718 1.00 0.00 N ATOM 1167 CA VAL A 78 1.530 1.121 -9.496 1.00 0.00 C ATOM 1168 C VAL A 78 1.865 2.605 -9.604 1.00 0.00 C ATOM 1169 O VAL A 78 0.976 3.456 -9.577 1.00 0.00 O ATOM 1170 CB VAL A 78 2.255 0.531 -8.271 1.00 0.00 C ATOM 1171 CG1 VAL A 78 1.713 1.138 -6.986 1.00 0.00 C ATOM 1172 CG2 VAL A 78 2.122 -0.984 -8.253 1.00 0.00 C ATOM 0 H VAL A 78 2.664 -0.242 -10.614 1.00 0.00 H new ATOM 0 HA VAL A 78 0.454 1.002 -9.365 1.00 0.00 H new ATOM 0 HB VAL A 78 3.314 0.779 -8.342 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.237 0.709 -6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.865 2.217 -7.001 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.648 0.923 -6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.640 -1.384 -7.381 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.068 -1.256 -8.205 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.563 -1.399 -9.159 1.00 0.00 H new ATOM 1182 N VAL A 79 3.153 2.908 -9.729 1.00 0.00 N ATOM 1183 CA VAL A 79 3.606 4.289 -9.843 1.00 0.00 C ATOM 1184 C VAL A 79 2.610 5.130 -10.635 1.00 0.00 C ATOM 1185 O VAL A 79 2.354 6.285 -10.298 1.00 0.00 O ATOM 1186 CB VAL A 79 4.986 4.373 -10.522 1.00 0.00 C ATOM 1187 CG1 VAL A 79 4.921 3.812 -11.934 1.00 0.00 C ATOM 1188 CG2 VAL A 79 5.488 5.809 -10.532 1.00 0.00 C ATOM 0 H VAL A 79 3.901 2.215 -9.754 1.00 0.00 H new ATOM 0 HA VAL A 79 3.684 4.681 -8.829 1.00 0.00 H new ATOM 0 HB VAL A 79 5.691 3.770 -9.950 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.905 3.880 -12.398 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.608 2.768 -11.897 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.203 4.385 -12.521 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.464 5.850 -11.015 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.785 6.436 -11.080 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.575 6.171 -9.508 1.00 0.00 H new ATOM 1198 N GLU A 80 2.053 4.541 -11.688 1.00 0.00 N ATOM 1199 CA GLU A 80 1.085 5.237 -12.528 1.00 0.00 C ATOM 1200 C GLU A 80 -0.111 5.707 -11.705 1.00 0.00 C ATOM 1201 O GLU A 80 -0.532 6.860 -11.803 1.00 0.00 O ATOM 1202 CB GLU A 80 0.612 4.325 -13.662 1.00 0.00 C ATOM 1203 CG GLU A 80 -0.384 4.987 -14.600 1.00 0.00 C ATOM 1204 CD GLU A 80 -1.107 3.988 -15.482 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -2.169 3.484 -15.063 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -0.609 3.711 -16.594 1.00 0.00 O ATOM 0 H GLU A 80 2.255 3.585 -11.980 1.00 0.00 H new ATOM 0 HA GLU A 80 1.575 6.111 -12.956 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.477 3.996 -14.238 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.157 3.432 -13.233 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.115 5.544 -14.014 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.138 5.709 -15.228 1.00 0.00 H new ATOM 1213 N LEU A 81 -0.654 4.806 -10.895 1.00 0.00 N ATOM 1214 CA LEU A 81 -1.803 5.126 -10.055 1.00 0.00 C ATOM 1215 C LEU A 81 -1.511 6.336 -9.173 1.00 0.00 C ATOM 1216 O LEU A 81 -2.169 7.371 -9.283 1.00 0.00 O ATOM 1217 CB LEU A 81 -2.174 3.924 -9.184 1.00 0.00 C ATOM 1218 CG LEU A 81 -3.143 2.918 -9.808 1.00 0.00 C ATOM 1219 CD1 LEU A 81 -4.515 3.546 -9.998 1.00 0.00 C ATOM 1220 CD2 LEU A 81 -2.600 2.407 -11.134 1.00 0.00 C ATOM 0 H LEU A 81 -0.317 3.848 -10.802 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.643 5.367 -10.707 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.258 3.398 -8.916 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.612 4.294 -8.257 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.245 2.071 -9.129 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.191 2.816 -10.443 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.907 3.862 -9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.431 4.411 -10.656 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.302 1.692 -11.564 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.468 3.244 -11.820 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.640 1.918 -10.970 1.00 0.00 H new ATOM 1232 N VAL A 82 -0.519 6.200 -8.299 1.00 0.00 N ATOM 1233 CA VAL A 82 -0.138 7.283 -7.400 1.00 0.00 C ATOM 1234 C VAL A 82 -0.254 8.637 -8.091 1.00 0.00 C ATOM 1235 O VAL A 82 -0.772 9.595 -7.518 1.00 0.00 O ATOM 1236 CB VAL A 82 1.302 7.103 -6.884 1.00 0.00 C ATOM 1237 CG1 VAL A 82 1.713 8.289 -6.025 1.00 0.00 C ATOM 1238 CG2 VAL A 82 1.431 5.801 -6.109 1.00 0.00 C ATOM 0 H VAL A 82 0.036 5.350 -8.194 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.825 7.250 -6.555 1.00 0.00 H new ATOM 0 HB VAL A 82 1.974 7.056 -7.741 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.733 8.144 -5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.661 9.203 -6.617 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.039 8.371 -5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.455 5.690 -5.752 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.749 5.815 -5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.181 4.964 -6.760 1.00 0.00 H new ATOM 1248 N ARG A 83 0.233 8.708 -9.326 1.00 0.00 N ATOM 1249 CA ARG A 83 0.185 9.946 -10.095 1.00 0.00 C ATOM 1250 C ARG A 83 -1.248 10.281 -10.497 1.00 0.00 C ATOM 1251 O ARG A 83 -1.677 11.432 -10.410 1.00 0.00 O ATOM 1252 CB ARG A 83 1.062 9.829 -11.344 1.00 0.00 C ATOM 1253 CG ARG A 83 2.508 9.471 -11.041 1.00 0.00 C ATOM 1254 CD ARG A 83 3.167 8.774 -12.221 1.00 0.00 C ATOM 1255 NE ARG A 83 3.217 9.629 -13.403 1.00 0.00 N ATOM 1256 CZ ARG A 83 3.317 9.163 -14.643 1.00 0.00 C ATOM 1257 NH1 ARG A 83 3.376 7.856 -14.861 1.00 0.00 N ATOM 1258 NH2 ARG A 83 3.357 10.004 -15.669 1.00 0.00 N ATOM 0 H ARG A 83 0.665 7.924 -9.815 1.00 0.00 H new ATOM 0 HA ARG A 83 0.565 10.751 -9.466 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.640 9.072 -12.005 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.036 10.775 -11.886 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.064 10.375 -10.794 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.548 8.823 -10.165 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.179 8.475 -11.947 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.618 7.862 -12.456 1.00 0.00 H new ATOM 0 HE ARG A 83 3.173 10.639 -13.270 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.345 7.206 -14.076 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.453 7.501 -15.814 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.311 11.010 -15.506 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.434 9.644 -16.620 1.00 0.00 H new ATOM 1272 N LYS A 84 -1.986 9.267 -10.939 1.00 0.00 N ATOM 1273 CA LYS A 84 -3.371 9.452 -11.354 1.00 0.00 C ATOM 1274 C LYS A 84 -4.208 10.028 -10.215 1.00 0.00 C ATOM 1275 O LYS A 84 -5.031 10.918 -10.426 1.00 0.00 O ATOM 1276 CB LYS A 84 -3.968 8.122 -11.818 1.00 0.00 C ATOM 1277 CG LYS A 84 -3.730 7.829 -13.289 1.00 0.00 C ATOM 1278 CD LYS A 84 -4.183 6.426 -13.659 1.00 0.00 C ATOM 1279 CE LYS A 84 -3.801 6.076 -15.089 1.00 0.00 C ATOM 1280 NZ LYS A 84 -4.621 6.826 -16.081 1.00 0.00 N ATOM 0 H LYS A 84 -1.647 8.308 -11.019 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.384 10.158 -12.184 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.543 7.315 -11.222 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.041 8.128 -11.626 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.266 8.558 -13.897 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.670 7.942 -13.517 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.735 5.706 -12.975 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.264 6.348 -13.541 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.746 6.298 -15.248 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.929 5.005 -15.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.331 6.560 -17.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.626 6.595 -15.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.480 7.848 -15.947 1.00 0.00 H new ATOM 1294 N SER A 85 -3.991 9.513 -9.009 1.00 0.00 N ATOM 1295 CA SER A 85 -4.727 9.975 -7.838 1.00 0.00 C ATOM 1296 C SER A 85 -5.029 11.467 -7.939 1.00 0.00 C ATOM 1297 O SER A 85 -6.189 11.877 -7.953 1.00 0.00 O ATOM 1298 CB SER A 85 -3.930 9.689 -6.564 1.00 0.00 C ATOM 1299 OG SER A 85 -4.793 9.464 -5.462 1.00 0.00 O ATOM 0 H SER A 85 -3.312 8.776 -8.817 1.00 0.00 H new ATOM 0 HA SER A 85 -5.672 9.434 -7.796 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.295 8.816 -6.717 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.270 10.529 -6.348 1.00 0.00 H new ATOM 0 HG SER A 85 -4.927 10.304 -4.974 1.00 0.00 H new ATOM 1305 N GLY A 86 -3.975 12.274 -8.009 1.00 0.00 N ATOM 1306 CA GLY A 86 -4.147 13.712 -8.108 1.00 0.00 C ATOM 1307 C GLY A 86 -3.475 14.456 -6.971 1.00 0.00 C ATOM 1308 O GLY A 86 -2.249 14.478 -6.874 1.00 0.00 O ATOM 0 H GLY A 86 -3.005 11.958 -7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.738 14.059 -9.057 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.211 13.948 -8.114 1.00 0.00 H new ATOM 1312 N ASN A 87 -4.281 15.068 -6.109 1.00 0.00 N ATOM 1313 CA ASN A 87 -3.756 15.819 -4.974 1.00 0.00 C ATOM 1314 C ASN A 87 -3.694 14.944 -3.725 1.00 0.00 C ATOM 1315 O ASN A 87 -2.758 15.042 -2.932 1.00 0.00 O ATOM 1316 CB ASN A 87 -4.624 17.050 -4.705 1.00 0.00 C ATOM 1317 CG ASN A 87 -4.967 17.804 -5.976 1.00 0.00 C ATOM 1318 OD1 ASN A 87 -6.138 17.950 -6.327 1.00 0.00 O ATOM 1319 ND2 ASN A 87 -3.944 18.285 -6.673 1.00 0.00 N ATOM 0 H ASN A 87 -5.299 15.059 -6.175 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.745 16.142 -5.220 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.544 16.741 -4.209 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.101 17.717 -4.020 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -4.113 18.800 -7.537 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.990 18.140 -6.344 1.00 0.00 H new ATOM 1326 N SER A 88 -4.698 14.090 -3.557 1.00 0.00 N ATOM 1327 CA SER A 88 -4.760 13.200 -2.404 1.00 0.00 C ATOM 1328 C SER A 88 -4.785 11.740 -2.845 1.00 0.00 C ATOM 1329 O SER A 88 -5.423 11.390 -3.838 1.00 0.00 O ATOM 1330 CB SER A 88 -5.998 13.511 -1.559 1.00 0.00 C ATOM 1331 OG SER A 88 -7.187 13.314 -2.305 1.00 0.00 O ATOM 0 H SER A 88 -5.480 13.996 -4.205 1.00 0.00 H new ATOM 0 HA SER A 88 -3.867 13.364 -1.801 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.009 12.872 -0.676 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.952 14.542 -1.207 1.00 0.00 H new ATOM 0 HG SER A 88 -7.963 13.517 -1.743 1.00 0.00 H new ATOM 1337 N VAL A 89 -4.085 10.891 -2.099 1.00 0.00 N ATOM 1338 CA VAL A 89 -4.027 9.468 -2.411 1.00 0.00 C ATOM 1339 C VAL A 89 -4.430 8.624 -1.206 1.00 0.00 C ATOM 1340 O VAL A 89 -4.316 9.062 -0.061 1.00 0.00 O ATOM 1341 CB VAL A 89 -2.616 9.051 -2.867 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -2.625 7.623 -3.392 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -2.092 10.013 -3.922 1.00 0.00 C ATOM 0 H VAL A 89 -3.550 11.164 -1.274 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.731 9.293 -3.225 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.947 9.092 -2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.620 7.346 -3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.956 6.947 -2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.306 7.551 -4.240 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.094 9.704 -4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.759 10.006 -4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.047 11.020 -3.506 1.00 0.00 H new ATOM 1353 N THR A 90 -4.901 7.410 -1.472 1.00 0.00 N ATOM 1354 CA THR A 90 -5.321 6.504 -0.411 1.00 0.00 C ATOM 1355 C THR A 90 -4.538 5.197 -0.460 1.00 0.00 C ATOM 1356 O THR A 90 -4.779 4.349 -1.321 1.00 0.00 O ATOM 1357 CB THR A 90 -6.827 6.190 -0.503 1.00 0.00 C ATOM 1358 OG1 THR A 90 -7.580 7.408 -0.524 1.00 0.00 O ATOM 1359 CG2 THR A 90 -7.274 5.331 0.670 1.00 0.00 C ATOM 0 H THR A 90 -5.001 7.032 -2.414 1.00 0.00 H new ATOM 0 HA THR A 90 -5.119 7.010 0.533 1.00 0.00 H new ATOM 0 HB THR A 90 -7.005 5.637 -1.425 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.536 7.201 -0.584 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.340 5.123 0.583 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.719 4.393 0.666 1.00 0.00 H new ATOM 0 HG23 THR A 90 -7.083 5.861 1.603 1.00 0.00 H new ATOM 1367 N LEU A 91 -3.600 5.040 0.467 1.00 0.00 N ATOM 1368 CA LEU A 91 -2.781 3.834 0.530 1.00 0.00 C ATOM 1369 C LEU A 91 -3.146 2.990 1.746 1.00 0.00 C ATOM 1370 O LEU A 91 -3.432 3.521 2.820 1.00 0.00 O ATOM 1371 CB LEU A 91 -1.297 4.204 0.578 1.00 0.00 C ATOM 1372 CG LEU A 91 -0.832 5.249 -0.437 1.00 0.00 C ATOM 1373 CD1 LEU A 91 0.390 5.991 0.082 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -0.532 4.593 -1.777 1.00 0.00 C ATOM 0 H LEU A 91 -3.387 5.732 1.185 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.974 3.246 -0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.067 4.571 1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.712 3.296 0.429 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.635 5.972 -0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.706 6.730 -0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.141 6.493 1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.200 5.282 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.202 5.351 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.254 3.849 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.433 4.109 -2.155 1.00 0.00 H new ATOM 1386 N LEU A 92 -3.132 1.673 1.571 1.00 0.00 N ATOM 1387 CA LEU A 92 -3.460 0.754 2.656 1.00 0.00 C ATOM 1388 C LEU A 92 -2.221 -0.004 3.121 1.00 0.00 C ATOM 1389 O LEU A 92 -1.706 -0.868 2.412 1.00 0.00 O ATOM 1390 CB LEU A 92 -4.537 -0.235 2.205 1.00 0.00 C ATOM 1391 CG LEU A 92 -5.978 0.272 2.259 1.00 0.00 C ATOM 1392 CD1 LEU A 92 -6.899 -0.651 1.476 1.00 0.00 C ATOM 1393 CD2 LEU A 92 -6.447 0.398 3.701 1.00 0.00 C ATOM 0 H LEU A 92 -2.897 1.218 0.689 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.840 1.340 3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.318 -0.538 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.464 -1.129 2.825 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.011 1.260 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.920 -0.274 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.577 -0.689 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -6.861 -1.652 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.475 0.760 3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.397 -0.577 4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -5.805 1.101 4.232 1.00 0.00 H new ATOM 1405 N VAL A 93 -1.747 0.326 4.318 1.00 0.00 N ATOM 1406 CA VAL A 93 -0.569 -0.326 4.880 1.00 0.00 C ATOM 1407 C VAL A 93 -0.956 -1.295 5.992 1.00 0.00 C ATOM 1408 O VAL A 93 -1.660 -0.928 6.934 1.00 0.00 O ATOM 1409 CB VAL A 93 0.430 0.705 5.437 1.00 0.00 C ATOM 1410 CG1 VAL A 93 0.971 1.583 4.319 1.00 0.00 C ATOM 1411 CG2 VAL A 93 -0.224 1.550 6.520 1.00 0.00 C ATOM 0 H VAL A 93 -2.160 1.041 4.917 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.095 -0.879 4.069 1.00 0.00 H new ATOM 0 HB VAL A 93 1.268 0.168 5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.675 2.305 4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.479 0.961 3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.147 2.112 3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.497 2.273 6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.081 2.078 6.102 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.557 0.905 7.333 1.00 0.00 H new ATOM 1421 N LEU A 94 -0.490 -2.534 5.877 1.00 0.00 N ATOM 1422 CA LEU A 94 -0.786 -3.558 6.873 1.00 0.00 C ATOM 1423 C LEU A 94 0.453 -3.889 7.698 1.00 0.00 C ATOM 1424 O LEU A 94 1.575 -3.858 7.191 1.00 0.00 O ATOM 1425 CB LEU A 94 -1.313 -4.822 6.193 1.00 0.00 C ATOM 1426 CG LEU A 94 -1.871 -5.901 7.121 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -3.287 -5.554 7.553 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -1.838 -7.261 6.439 1.00 0.00 C ATOM 0 H LEU A 94 0.094 -2.854 5.104 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.552 -3.168 7.543 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.096 -4.534 5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.505 -5.258 5.606 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.243 -5.948 8.011 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.667 -6.334 8.213 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.283 -4.601 8.082 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.927 -5.478 6.674 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.239 -8.017 7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.442 -7.228 5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.810 -7.514 6.181 1.00 0.00 H new ATOM 1440 N ASP A 95 0.243 -4.208 8.970 1.00 0.00 N ATOM 1441 CA ASP A 95 1.343 -4.549 9.865 1.00 0.00 C ATOM 1442 C ASP A 95 1.943 -5.902 9.497 1.00 0.00 C ATOM 1443 O ASP A 95 1.222 -6.851 9.193 1.00 0.00 O ATOM 1444 CB ASP A 95 0.861 -4.569 11.317 1.00 0.00 C ATOM 1445 CG ASP A 95 -0.150 -5.669 11.576 1.00 0.00 C ATOM 1446 OD1 ASP A 95 -0.991 -5.923 10.688 1.00 0.00 O ATOM 1447 OD2 ASP A 95 -0.099 -6.276 12.666 1.00 0.00 O ATOM 0 H ASP A 95 -0.679 -4.238 9.405 1.00 0.00 H new ATOM 0 HA ASP A 95 2.115 -3.787 9.757 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.717 -4.703 11.979 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.416 -3.605 11.562 1.00 0.00 H new ATOM 1452 N GLY A 96 3.270 -5.982 9.526 1.00 0.00 N ATOM 1453 CA GLY A 96 3.946 -7.223 9.192 1.00 0.00 C ATOM 1454 C GLY A 96 3.354 -8.417 9.914 1.00 0.00 C ATOM 1455 O GLY A 96 3.070 -9.445 9.299 1.00 0.00 O ATOM 0 H GLY A 96 3.889 -5.210 9.775 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.887 -7.387 8.116 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.003 -7.137 9.444 1.00 0.00 H new ATOM 1459 N ASP A 97 3.171 -8.284 11.223 1.00 0.00 N ATOM 1460 CA ASP A 97 2.610 -9.361 12.030 1.00 0.00 C ATOM 1461 C ASP A 97 1.523 -10.107 11.262 1.00 0.00 C ATOM 1462 O ASP A 97 1.628 -11.311 11.030 1.00 0.00 O ATOM 1463 CB ASP A 97 2.039 -8.805 13.336 1.00 0.00 C ATOM 1464 CG ASP A 97 3.111 -8.214 14.231 1.00 0.00 C ATOM 1465 OD1 ASP A 97 3.705 -7.185 13.847 1.00 0.00 O ATOM 1466 OD2 ASP A 97 3.355 -8.781 15.317 1.00 0.00 O ATOM 0 H ASP A 97 3.403 -7.441 11.748 1.00 0.00 H new ATOM 0 HA ASP A 97 3.412 -10.062 12.262 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.297 -8.039 13.108 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.521 -9.601 13.871 1.00 0.00 H new ATOM 1471 N SER A 98 0.480 -9.383 10.871 1.00 0.00 N ATOM 1472 CA SER A 98 -0.629 -9.976 10.133 1.00 0.00 C ATOM 1473 C SER A 98 -0.223 -10.283 8.695 1.00 0.00 C ATOM 1474 O SER A 98 -0.554 -11.339 8.156 1.00 0.00 O ATOM 1475 CB SER A 98 -1.838 -9.038 10.145 1.00 0.00 C ATOM 1476 OG SER A 98 -2.331 -8.858 11.461 1.00 0.00 O ATOM 0 H SER A 98 0.379 -8.384 11.053 1.00 0.00 H new ATOM 0 HA SER A 98 -0.899 -10.911 10.623 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.558 -8.073 9.723 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.625 -9.446 9.511 1.00 0.00 H new ATOM 0 HG SER A 98 -3.102 -8.254 11.442 1.00 0.00 H new ATOM 1482 N TYR A 99 0.497 -9.352 8.080 1.00 0.00 N ATOM 1483 CA TYR A 99 0.948 -9.520 6.703 1.00 0.00 C ATOM 1484 C TYR A 99 1.364 -10.964 6.438 1.00 0.00 C ATOM 1485 O TYR A 99 0.928 -11.578 5.466 1.00 0.00 O ATOM 1486 CB TYR A 99 2.117 -8.578 6.408 1.00 0.00 C ATOM 1487 CG TYR A 99 2.204 -8.157 4.959 1.00 0.00 C ATOM 1488 CD1 TYR A 99 2.618 -9.051 3.979 1.00 0.00 C ATOM 1489 CD2 TYR A 99 1.872 -6.865 4.569 1.00 0.00 C ATOM 1490 CE1 TYR A 99 2.700 -8.670 2.653 1.00 0.00 C ATOM 1491 CE2 TYR A 99 1.950 -6.476 3.246 1.00 0.00 C ATOM 1492 CZ TYR A 99 2.365 -7.382 2.292 1.00 0.00 C ATOM 1493 OH TYR A 99 2.444 -6.999 0.973 1.00 0.00 O ATOM 0 H TYR A 99 0.781 -8.473 8.513 1.00 0.00 H new ATOM 0 HA TYR A 99 0.116 -9.274 6.043 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.022 -7.689 7.031 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.048 -9.068 6.692 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.880 -10.061 4.258 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.547 -6.153 5.313 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.025 -9.377 1.904 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.688 -5.468 2.960 1.00 0.00 H new ATOM 0 HH TYR A 99 2.355 -7.787 0.398 1.00 0.00 H new ATOM 1503 N GLU A 100 2.211 -11.498 7.313 1.00 0.00 N ATOM 1504 CA GLU A 100 2.687 -12.869 7.174 1.00 0.00 C ATOM 1505 C GLU A 100 1.577 -13.866 7.497 1.00 0.00 C ATOM 1506 O GLU A 100 1.503 -14.943 6.905 1.00 0.00 O ATOM 1507 CB GLU A 100 3.888 -13.112 8.091 1.00 0.00 C ATOM 1508 CG GLU A 100 5.022 -12.122 7.884 1.00 0.00 C ATOM 1509 CD GLU A 100 6.193 -12.373 8.813 1.00 0.00 C ATOM 1510 OE1 GLU A 100 6.904 -13.381 8.613 1.00 0.00 O ATOM 1511 OE2 GLU A 100 6.399 -11.562 9.740 1.00 0.00 O ATOM 0 H GLU A 100 2.581 -11.003 8.124 1.00 0.00 H new ATOM 0 HA GLU A 100 2.994 -13.016 6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 100 3.558 -13.062 9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 100 4.263 -14.122 7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.364 -12.179 6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 100 4.649 -11.110 8.041 1.00 0.00 H new ATOM 1518 N LYS A 101 0.717 -13.498 8.440 1.00 0.00 N ATOM 1519 CA LYS A 101 -0.390 -14.357 8.843 1.00 0.00 C ATOM 1520 C LYS A 101 -1.219 -14.780 7.634 1.00 0.00 C ATOM 1521 O LYS A 101 -1.603 -15.942 7.508 1.00 0.00 O ATOM 1522 CB LYS A 101 -1.280 -13.636 9.857 1.00 0.00 C ATOM 1523 CG LYS A 101 -1.977 -14.571 10.830 1.00 0.00 C ATOM 1524 CD LYS A 101 -1.003 -15.148 11.843 1.00 0.00 C ATOM 1525 CE LYS A 101 -0.900 -14.270 13.081 1.00 0.00 C ATOM 1526 NZ LYS A 101 -0.182 -12.996 12.799 1.00 0.00 N ATOM 0 H LYS A 101 0.765 -12.610 8.940 1.00 0.00 H new ATOM 0 HA LYS A 101 0.028 -15.251 9.306 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.674 -12.926 10.420 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.032 -13.057 9.321 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.768 -14.032 11.351 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.453 -15.382 10.279 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.326 -16.148 12.131 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.019 -15.250 11.386 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.900 -14.048 13.453 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.379 -14.813 13.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.238 -12.632 13.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.570 -13.168 12.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.852 -12.296 12.420 1.00 0.00 H new ATOM 1540 N ALA A 102 -1.490 -13.829 6.747 1.00 0.00 N ATOM 1541 CA ALA A 102 -2.270 -14.104 5.546 1.00 0.00 C ATOM 1542 C ALA A 102 -1.533 -15.066 4.621 1.00 0.00 C ATOM 1543 O ALA A 102 -1.982 -16.190 4.393 1.00 0.00 O ATOM 1544 CB ALA A 102 -2.590 -12.807 4.816 1.00 0.00 C ATOM 0 H ALA A 102 -1.181 -12.861 6.837 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.204 -14.577 5.850 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.173 -13.027 3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -3.165 -12.153 5.472 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.662 -12.311 4.532 1.00 0.00 H new ATOM 1550 N VAL A 103 -0.400 -14.619 4.090 1.00 0.00 N ATOM 1551 CA VAL A 103 0.400 -15.441 3.190 1.00 0.00 C ATOM 1552 C VAL A 103 0.542 -16.862 3.724 1.00 0.00 C ATOM 1553 O VAL A 103 0.327 -17.834 3.000 1.00 0.00 O ATOM 1554 CB VAL A 103 1.802 -14.841 2.978 1.00 0.00 C ATOM 1555 CG1 VAL A 103 2.635 -15.735 2.073 1.00 0.00 C ATOM 1556 CG2 VAL A 103 1.699 -13.436 2.404 1.00 0.00 C ATOM 0 H VAL A 103 -0.015 -13.691 4.268 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.124 -15.466 2.234 1.00 0.00 H new ATOM 0 HB VAL A 103 2.301 -14.778 3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.622 -15.294 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.738 -16.720 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.143 -15.833 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.699 -13.027 2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.181 -13.472 1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.143 -12.801 3.094 1.00 0.00 H new ATOM 1566 N LYS A 104 0.906 -16.975 4.997 1.00 0.00 N ATOM 1567 CA LYS A 104 1.076 -18.277 5.631 1.00 0.00 C ATOM 1568 C LYS A 104 -0.204 -19.101 5.534 1.00 0.00 C ATOM 1569 O LYS A 104 -0.169 -20.280 5.184 1.00 0.00 O ATOM 1570 CB LYS A 104 1.473 -18.105 7.099 1.00 0.00 C ATOM 1571 CG LYS A 104 2.916 -17.670 7.291 1.00 0.00 C ATOM 1572 CD LYS A 104 3.866 -18.855 7.241 1.00 0.00 C ATOM 1573 CE LYS A 104 3.923 -19.581 8.576 1.00 0.00 C ATOM 1574 NZ LYS A 104 5.140 -20.431 8.694 1.00 0.00 N ATOM 0 H LYS A 104 1.089 -16.180 5.610 1.00 0.00 H new ATOM 0 HA LYS A 104 1.870 -18.807 5.105 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.816 -17.368 7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.313 -19.047 7.623 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.187 -16.952 6.517 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.019 -17.160 8.249 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.545 -19.547 6.463 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.864 -18.511 6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.909 -18.852 9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.034 -20.202 8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.142 -20.909 9.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.141 -21.143 7.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.989 -19.836 8.611 1.00 0.00 H new ATOM 1588 N ASN A 105 -1.333 -18.472 5.844 1.00 0.00 N ATOM 1589 CA ASN A 105 -2.625 -19.147 5.790 1.00 0.00 C ATOM 1590 C ASN A 105 -3.213 -19.084 4.384 1.00 0.00 C ATOM 1591 O ASN A 105 -4.396 -19.357 4.184 1.00 0.00 O ATOM 1592 CB ASN A 105 -3.595 -18.516 6.790 1.00 0.00 C ATOM 1593 CG ASN A 105 -3.172 -18.743 8.229 1.00 0.00 C ATOM 1594 OD1 ASN A 105 -2.624 -19.792 8.568 1.00 0.00 O ATOM 1595 ND2 ASN A 105 -3.424 -17.757 9.082 1.00 0.00 N ATOM 0 H ASN A 105 -1.379 -17.496 6.135 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.472 -20.194 6.054 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.664 -17.445 6.599 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.591 -18.931 6.637 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -3.161 -17.852 10.063 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -3.880 -16.905 8.756 1.00 0.00 H new ATOM 1602 N GLN A 106 -2.379 -18.724 3.414 1.00 0.00 N ATOM 1603 CA GLN A 106 -2.817 -18.625 2.027 1.00 0.00 C ATOM 1604 C GLN A 106 -4.138 -17.871 1.926 1.00 0.00 C ATOM 1605 O GLN A 106 -5.098 -18.356 1.327 1.00 0.00 O ATOM 1606 CB GLN A 106 -2.964 -20.020 1.416 1.00 0.00 C ATOM 1607 CG GLN A 106 -1.636 -20.699 1.124 1.00 0.00 C ATOM 1608 CD GLN A 106 -1.773 -22.199 0.950 1.00 0.00 C ATOM 1609 OE1 GLN A 106 -1.797 -22.706 -0.172 1.00 0.00 O ATOM 1610 NE2 GLN A 106 -1.864 -22.918 2.063 1.00 0.00 N ATOM 0 H GLN A 106 -1.396 -18.496 3.563 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.060 -18.071 1.472 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.541 -20.646 2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -3.535 -19.944 0.491 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -1.204 -20.270 0.220 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -0.941 -20.494 1.938 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -1.840 -22.456 2.972 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -1.958 -23.932 2.009 1.00 0.00 H new ATOM 1619 N VAL A 107 -4.181 -16.681 2.517 1.00 0.00 N ATOM 1620 CA VAL A 107 -5.385 -15.858 2.493 1.00 0.00 C ATOM 1621 C VAL A 107 -5.256 -14.725 1.481 1.00 0.00 C ATOM 1622 O VAL A 107 -4.228 -14.051 1.417 1.00 0.00 O ATOM 1623 CB VAL A 107 -5.685 -15.262 3.880 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -6.872 -14.313 3.809 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -5.937 -16.369 4.893 1.00 0.00 C ATOM 0 H VAL A 107 -3.396 -16.265 3.018 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.208 -16.510 2.201 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.815 -14.693 4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -7.069 -13.902 4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -6.648 -13.501 3.117 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -7.751 -14.855 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -6.147 -15.929 5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.790 -16.968 4.573 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.054 -17.005 4.965 1.00 0.00 H new ATOM 1635 N ASP A 108 -6.306 -14.520 0.694 1.00 0.00 N ATOM 1636 CA ASP A 108 -6.311 -13.466 -0.314 1.00 0.00 C ATOM 1637 C ASP A 108 -6.186 -12.092 0.336 1.00 0.00 C ATOM 1638 O ASP A 108 -7.052 -11.677 1.108 1.00 0.00 O ATOM 1639 CB ASP A 108 -7.592 -13.535 -1.148 1.00 0.00 C ATOM 1640 CG ASP A 108 -7.733 -14.853 -1.883 1.00 0.00 C ATOM 1641 OD1 ASP A 108 -6.821 -15.199 -2.663 1.00 0.00 O ATOM 1642 OD2 ASP A 108 -8.756 -15.540 -1.678 1.00 0.00 O ATOM 0 H ASP A 108 -7.164 -15.069 0.734 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.452 -13.618 -0.968 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -8.454 -13.391 -0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -7.597 -12.718 -1.869 1.00 0.00 H new ATOM 1647 N LEU A 109 -5.104 -11.389 0.019 1.00 0.00 N ATOM 1648 CA LEU A 109 -4.865 -10.061 0.573 1.00 0.00 C ATOM 1649 C LEU A 109 -5.658 -9.003 -0.187 1.00 0.00 C ATOM 1650 O LEU A 109 -6.078 -7.997 0.385 1.00 0.00 O ATOM 1651 CB LEU A 109 -3.373 -9.728 0.525 1.00 0.00 C ATOM 1652 CG LEU A 109 -2.491 -10.447 1.547 1.00 0.00 C ATOM 1653 CD1 LEU A 109 -1.021 -10.289 1.189 1.00 0.00 C ATOM 1654 CD2 LEU A 109 -2.760 -9.919 2.948 1.00 0.00 C ATOM 0 H LEU A 109 -4.378 -11.717 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.198 -10.062 1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.001 -9.960 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.256 -8.654 0.666 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.736 -11.509 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.409 -10.807 1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.839 -10.716 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.760 -9.231 1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.124 -10.442 3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.543 -8.851 2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.806 -10.085 3.205 1.00 0.00 H new ATOM 1666 N LYS A 110 -5.862 -9.239 -1.479 1.00 0.00 N ATOM 1667 CA LYS A 110 -6.609 -8.309 -2.318 1.00 0.00 C ATOM 1668 C LYS A 110 -7.983 -8.020 -1.721 1.00 0.00 C ATOM 1669 O LYS A 110 -8.615 -7.018 -2.053 1.00 0.00 O ATOM 1670 CB LYS A 110 -6.763 -8.876 -3.731 1.00 0.00 C ATOM 1671 CG LYS A 110 -7.791 -9.990 -3.830 1.00 0.00 C ATOM 1672 CD LYS A 110 -7.558 -10.855 -5.057 1.00 0.00 C ATOM 1673 CE LYS A 110 -8.134 -10.212 -6.310 1.00 0.00 C ATOM 1674 NZ LYS A 110 -8.034 -11.113 -7.491 1.00 0.00 N ATOM 0 H LYS A 110 -5.520 -10.067 -1.968 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.051 -7.374 -2.367 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.046 -8.070 -4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.798 -9.252 -4.070 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.746 -10.609 -2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.792 -9.560 -3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.489 -11.019 -5.190 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.015 -11.833 -4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.179 -9.953 -6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.605 -9.282 -6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -8.437 -10.639 -8.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.035 -11.340 -7.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.560 -11.990 -7.304 1.00 0.00 H new ATOM 1688 N GLU A 111 -8.438 -8.905 -0.840 1.00 0.00 N ATOM 1689 CA GLU A 111 -9.737 -8.744 -0.197 1.00 0.00 C ATOM 1690 C GLU A 111 -9.687 -7.647 0.863 1.00 0.00 C ATOM 1691 O GLU A 111 -10.705 -7.034 1.186 1.00 0.00 O ATOM 1692 CB GLU A 111 -10.184 -10.062 0.438 1.00 0.00 C ATOM 1693 CG GLU A 111 -10.276 -11.213 -0.550 1.00 0.00 C ATOM 1694 CD GLU A 111 -11.551 -11.178 -1.370 1.00 0.00 C ATOM 1695 OE1 GLU A 111 -11.683 -10.275 -2.223 1.00 0.00 O ATOM 1696 OE2 GLU A 111 -12.417 -12.053 -1.159 1.00 0.00 O ATOM 0 H GLU A 111 -7.927 -9.740 -0.555 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.458 -8.455 -0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.485 -10.329 1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.157 -9.918 0.907 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.417 -11.181 -1.220 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.223 -12.157 -0.008 1.00 0.00 H new ATOM 1703 N LEU A 112 -8.497 -7.406 1.401 1.00 0.00 N ATOM 1704 CA LEU A 112 -8.313 -6.384 2.425 1.00 0.00 C ATOM 1705 C LEU A 112 -8.717 -5.009 1.902 1.00 0.00 C ATOM 1706 O LEU A 112 -7.998 -4.399 1.110 1.00 0.00 O ATOM 1707 CB LEU A 112 -6.856 -6.356 2.890 1.00 0.00 C ATOM 1708 CG LEU A 112 -6.260 -7.700 3.311 1.00 0.00 C ATOM 1709 CD1 LEU A 112 -4.742 -7.663 3.222 1.00 0.00 C ATOM 1710 CD2 LEU A 112 -6.705 -8.063 4.720 1.00 0.00 C ATOM 0 H LEU A 112 -7.645 -7.905 1.145 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.954 -6.634 3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.246 -5.947 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.777 -5.667 3.731 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.624 -8.467 2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.336 -8.628 3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.443 -7.450 2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.358 -6.884 3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.271 -9.022 5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.371 -7.294 5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.792 -8.133 4.751 1.00 0.00 H new ATOM 1722 N ASP A 113 -9.871 -4.527 2.350 1.00 0.00 N ATOM 1723 CA ASP A 113 -10.370 -3.223 1.930 1.00 0.00 C ATOM 1724 C ASP A 113 -11.306 -2.635 2.981 1.00 0.00 C ATOM 1725 O ASP A 113 -12.417 -3.127 3.181 1.00 0.00 O ATOM 1726 CB ASP A 113 -11.096 -3.339 0.589 1.00 0.00 C ATOM 1727 CG ASP A 113 -11.629 -2.006 0.102 1.00 0.00 C ATOM 1728 OD1 ASP A 113 -12.113 -1.218 0.942 1.00 0.00 O ATOM 1729 OD2 ASP A 113 -11.561 -1.750 -1.118 1.00 0.00 O ATOM 0 H ASP A 113 -10.479 -5.020 3.004 1.00 0.00 H new ATOM 0 HA ASP A 113 -9.517 -2.554 1.815 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -10.414 -3.748 -0.156 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -11.922 -4.044 0.686 1.00 0.00 H new ATOM 1734 N GLN A 114 -10.850 -1.581 3.650 1.00 0.00 N ATOM 1735 CA GLN A 114 -11.647 -0.928 4.682 1.00 0.00 C ATOM 1736 C GLN A 114 -13.129 -0.950 4.320 1.00 0.00 C ATOM 1737 O GLN A 114 -13.975 -0.507 5.098 1.00 0.00 O ATOM 1738 CB GLN A 114 -11.179 0.514 4.880 1.00 0.00 C ATOM 1739 CG GLN A 114 -11.340 1.382 3.643 1.00 0.00 C ATOM 1740 CD GLN A 114 -12.712 2.022 3.553 1.00 0.00 C ATOM 1741 OE1 GLN A 114 -13.259 2.487 4.553 1.00 0.00 O ATOM 1742 NE2 GLN A 114 -13.275 2.049 2.351 1.00 0.00 N ATOM 0 H GLN A 114 -9.933 -1.161 3.496 1.00 0.00 H new ATOM 0 HA GLN A 114 -11.511 -1.477 5.614 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -11.740 0.959 5.702 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -10.130 0.509 5.176 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -10.579 2.162 3.650 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -11.167 0.776 2.754 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -12.785 1.652 1.549 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -14.197 2.467 2.229 1.00 0.00 H new