USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 549 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 57 CYS SG : rot 157:sc= -0.424 USER MOD Set 1.2: A 59 HIS : no HD1:sc= -1.12 K(o=-8.4,f=-7.6) USER MOD Set 1.3: A 60 CYS SG : rot -127:sc= -1.65 USER MOD Set 1.4: A 73 HIS : no HE2:sc= -1.05 K(o=-8.4,f=-7.6) USER MOD Set 1.5: A 74 THR OG1 : rot 77:sc= 0.716 USER MOD Set 1.6: A 78 HIS : no HE2:sc= -4.88! C(o=-8.4!,f=-8.1!) USER MOD Set 2.1: A 27 CYS SG : rot 110:sc= -0.203 USER MOD Set 2.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 30 CYS SG : rot -78:sc= -2.35! USER MOD Set 2.4: A 44 HIS : no HD1:sc= -2.16 K(o=-3.8,f=-4.4) USER MOD Set 2.5: A 48 CYS SG : rot 169:sc= 0.91 USER MOD Single : A 14 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.22) USER MOD Single : A 16 GLN : amide:sc= -1.75 K(o=-1.8,f=-4.4!) USER MOD Single : A 20 HIS : no HD1:sc= -2.25 X(o=-2.3,f=-2.1!) USER MOD Single : A 31 ASN : amide:sc= -0.855 K(o=-0.86,f=-3.1!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 36 LYS NZ :NH3+ -157:sc= -0.159 (180deg=-0.623) USER MOD Single : A 37 THR OG1 : rot -22:sc= 0.717 USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= -0.0441 (180deg=-0.325) USER MOD Single : A 43 LYS NZ :NH3+ -153:sc= -0.114 (180deg=-0.551) USER MOD Single : A 45 MET CE :methyl -142:sc= -2.54! (180deg=-4.52!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 56 LYS NZ :NH3+ -154:sc= -0.9 (180deg=-0.952) USER MOD Single : A 58 GLN : amide:sc=-0.000354 X(o=-0.00035,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.68 K(o=-1.7,f=-3.5!) USER MOD Single : A 65 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0844) USER MOD Single : A 66 SER OG : rot 32:sc= 0.296 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0659 K(o=-0.066,f=-0.98) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PRO A 11 -3.287 16.927 -7.404 1.00 0.00 N ATOM 95 CA PRO A 11 -2.953 15.688 -8.112 1.00 0.00 C ATOM 96 C PRO A 11 -1.825 15.882 -9.120 1.00 0.00 C ATOM 97 O PRO A 11 -1.457 14.954 -9.839 1.00 0.00 O ATOM 98 CB PRO A 11 -4.256 15.328 -8.831 1.00 0.00 C ATOM 99 CG PRO A 11 -4.967 16.626 -8.998 1.00 0.00 C ATOM 100 CD PRO A 11 -4.604 17.455 -7.797 1.00 0.00 C ATOM 0 HA PRO A 11 -2.597 14.914 -7.432 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.060 14.857 -9.794 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.849 14.624 -8.247 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.663 17.121 -9.920 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.045 16.476 -9.057 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.555 18.516 -8.041 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.336 17.345 -6.997 1.00 0.00 H new ATOM 108 N GLU A 12 -1.280 17.094 -9.165 1.00 0.00 N ATOM 109 CA GLU A 12 -0.194 17.409 -10.086 1.00 0.00 C ATOM 110 C GLU A 12 1.055 17.844 -9.325 1.00 0.00 C ATOM 111 O GLU A 12 1.656 18.871 -9.636 1.00 0.00 O ATOM 112 CB GLU A 12 -0.622 18.510 -11.058 1.00 0.00 C ATOM 113 CG GLU A 12 -1.925 18.211 -11.781 1.00 0.00 C ATOM 114 CD GLU A 12 -2.629 19.467 -12.258 1.00 0.00 C ATOM 115 OE1 GLU A 12 -1.942 20.490 -12.462 1.00 0.00 O ATOM 116 OE2 GLU A 12 -3.865 19.427 -12.427 1.00 0.00 O ATOM 0 H GLU A 12 -1.572 17.873 -8.575 1.00 0.00 H new ATOM 0 HA GLU A 12 0.041 16.507 -10.652 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.727 19.446 -10.510 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.167 18.659 -11.795 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.722 17.566 -12.636 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.587 17.658 -11.115 1.00 0.00 H new ATOM 123 N GLU A 13 1.438 17.055 -8.326 1.00 0.00 N ATOM 124 CA GLU A 13 2.614 17.359 -7.520 1.00 0.00 C ATOM 125 C GLU A 13 3.846 16.640 -8.062 1.00 0.00 C ATOM 126 O GLU A 13 4.835 17.274 -8.431 1.00 0.00 O ATOM 127 CB GLU A 13 2.378 16.961 -6.062 1.00 0.00 C ATOM 128 CG GLU A 13 1.552 17.970 -5.281 1.00 0.00 C ATOM 129 CD GLU A 13 1.176 17.472 -3.900 1.00 0.00 C ATOM 130 OE1 GLU A 13 2.011 17.589 -2.978 1.00 0.00 O ATOM 131 OE2 GLU A 13 0.046 16.965 -3.740 1.00 0.00 O ATOM 0 H GLU A 13 0.951 16.201 -8.056 1.00 0.00 H new ATOM 0 HA GLU A 13 2.790 18.434 -7.572 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.875 15.994 -6.035 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.342 16.833 -5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.114 18.899 -5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.645 18.201 -5.839 1.00 0.00 H new ATOM 138 N GLN A 14 3.778 15.314 -8.106 1.00 0.00 N ATOM 139 CA GLN A 14 4.888 14.509 -8.602 1.00 0.00 C ATOM 140 C GLN A 14 4.989 14.597 -10.121 1.00 0.00 C ATOM 141 O GLN A 14 6.057 14.383 -10.695 1.00 0.00 O ATOM 142 CB GLN A 14 4.719 13.050 -8.174 1.00 0.00 C ATOM 143 CG GLN A 14 6.036 12.328 -7.938 1.00 0.00 C ATOM 144 CD GLN A 14 6.510 12.433 -6.502 1.00 0.00 C ATOM 145 OE1 GLN A 14 5.760 12.155 -5.566 1.00 0.00 O ATOM 146 NE2 GLN A 14 7.762 12.837 -6.320 1.00 0.00 N ATOM 0 H GLN A 14 2.967 14.774 -7.804 1.00 0.00 H new ATOM 0 HA GLN A 14 5.809 14.902 -8.172 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.126 13.015 -7.260 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.155 12.518 -8.940 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.922 11.277 -8.203 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.797 12.743 -8.599 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.349 13.057 -7.125 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.137 12.927 -5.376 1.00 0.00 H new ATOM 155 N TRP A 15 3.872 14.912 -10.766 1.00 0.00 N ATOM 156 CA TRP A 15 3.835 15.027 -12.219 1.00 0.00 C ATOM 157 C TRP A 15 4.278 16.416 -12.666 1.00 0.00 C ATOM 158 O TRP A 15 4.822 16.581 -13.757 1.00 0.00 O ATOM 159 CB TRP A 15 2.426 14.736 -12.739 1.00 0.00 C ATOM 160 CG TRP A 15 2.004 13.311 -12.544 1.00 0.00 C ATOM 161 CD1 TRP A 15 2.819 12.218 -12.467 1.00 0.00 C ATOM 162 CD2 TRP A 15 0.664 12.826 -12.402 1.00 0.00 C ATOM 163 NE1 TRP A 15 2.067 11.082 -12.287 1.00 0.00 N ATOM 164 CE2 TRP A 15 0.742 11.428 -12.242 1.00 0.00 C ATOM 165 CE3 TRP A 15 -0.593 13.436 -12.392 1.00 0.00 C ATOM 166 CZ2 TRP A 15 -0.390 10.634 -12.077 1.00 0.00 C ATOM 167 CZ3 TRP A 15 -1.715 12.646 -12.228 1.00 0.00 C ATOM 168 CH2 TRP A 15 -1.608 11.258 -12.071 1.00 0.00 C ATOM 0 H TRP A 15 2.980 15.092 -10.306 1.00 0.00 H new ATOM 0 HA TRP A 15 4.526 14.294 -12.634 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.717 15.390 -12.232 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.381 14.979 -13.801 1.00 0.00 H new ATOM 0 HD1 TRP A 15 3.896 12.243 -12.537 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.435 10.135 -12.201 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -0.686 14.505 -12.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -0.310 9.564 -11.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.692 13.107 -12.221 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -2.504 10.669 -11.943 1.00 0.00 H new ATOM 179 N GLN A 16 4.041 17.410 -11.816 1.00 0.00 N ATOM 180 CA GLN A 16 4.416 18.785 -12.126 1.00 0.00 C ATOM 181 C GLN A 16 5.869 19.051 -11.747 1.00 0.00 C ATOM 182 O GLN A 16 6.618 19.660 -12.510 1.00 0.00 O ATOM 183 CB GLN A 16 3.497 19.764 -11.393 1.00 0.00 C ATOM 184 CG GLN A 16 3.702 21.213 -11.802 1.00 0.00 C ATOM 185 CD GLN A 16 4.885 21.856 -11.104 1.00 0.00 C ATOM 186 OE1 GLN A 16 5.376 21.348 -10.096 1.00 0.00 O ATOM 187 NE2 GLN A 16 5.349 22.979 -11.638 1.00 0.00 N ATOM 0 H GLN A 16 3.592 17.289 -10.908 1.00 0.00 H new ATOM 0 HA GLN A 16 4.307 18.932 -13.201 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.460 19.486 -11.580 1.00 0.00 H new ATOM 0 HB3 GLN A 16 3.663 19.671 -10.320 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.850 21.264 -12.881 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.800 21.781 -11.577 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.911 23.365 -12.475 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.143 23.456 -11.212 1.00 0.00 H new ATOM 196 N ARG A 17 6.260 18.591 -10.563 1.00 0.00 N ATOM 197 CA ARG A 17 7.623 18.782 -10.082 1.00 0.00 C ATOM 198 C ARG A 17 8.636 18.450 -11.174 1.00 0.00 C ATOM 199 O ARG A 17 9.711 19.046 -11.239 1.00 0.00 O ATOM 200 CB ARG A 17 7.879 17.909 -8.851 1.00 0.00 C ATOM 201 CG ARG A 17 8.098 16.442 -9.180 1.00 0.00 C ATOM 202 CD ARG A 17 8.929 15.749 -8.111 1.00 0.00 C ATOM 203 NE ARG A 17 9.652 14.596 -8.641 1.00 0.00 N ATOM 204 CZ ARG A 17 10.787 14.691 -9.324 1.00 0.00 C ATOM 205 NH1 ARG A 17 11.326 15.880 -9.558 1.00 0.00 N ATOM 206 NH2 ARG A 17 11.386 13.596 -9.773 1.00 0.00 N ATOM 0 H ARG A 17 5.653 18.084 -9.920 1.00 0.00 H new ATOM 0 HA ARG A 17 7.741 19.830 -9.807 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.753 18.289 -8.322 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.032 17.998 -8.171 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.134 15.941 -9.275 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.598 16.355 -10.144 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.640 16.459 -7.688 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.278 15.426 -7.298 1.00 0.00 H new ATOM 0 HE ARG A 17 9.264 13.667 -8.478 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.869 16.724 -9.213 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.198 15.950 -10.083 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.975 12.680 -9.594 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.258 13.670 -10.297 1.00 0.00 H new ATOM 220 N ALA A 18 8.286 17.494 -12.028 1.00 0.00 N ATOM 221 CA ALA A 18 9.163 17.084 -13.117 1.00 0.00 C ATOM 222 C ALA A 18 8.956 17.959 -14.349 1.00 0.00 C ATOM 223 O ALA A 18 9.851 18.094 -15.183 1.00 0.00 O ATOM 224 CB ALA A 18 8.929 15.620 -13.461 1.00 0.00 C ATOM 0 H ALA A 18 7.401 16.989 -11.986 1.00 0.00 H new ATOM 0 HA ALA A 18 10.194 17.208 -12.786 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.591 15.327 -14.276 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.136 15.003 -12.586 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.892 15.479 -13.767 1.00 0.00 H new ATOM 230 N ILE A 19 7.770 18.549 -14.456 1.00 0.00 N ATOM 231 CA ILE A 19 7.446 19.411 -15.586 1.00 0.00 C ATOM 232 C ILE A 19 8.283 20.685 -15.563 1.00 0.00 C ATOM 233 O ILE A 19 8.725 21.170 -16.606 1.00 0.00 O ATOM 234 CB ILE A 19 5.953 19.791 -15.594 1.00 0.00 C ATOM 235 CG1 ILE A 19 5.109 18.619 -16.101 1.00 0.00 C ATOM 236 CG2 ILE A 19 5.726 21.025 -16.454 1.00 0.00 C ATOM 237 CD1 ILE A 19 3.621 18.834 -15.942 1.00 0.00 C ATOM 0 H ILE A 19 7.018 18.446 -13.774 1.00 0.00 H new ATOM 0 HA ILE A 19 7.674 18.846 -16.490 1.00 0.00 H new ATOM 0 HB ILE A 19 5.646 20.021 -14.574 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.333 18.449 -17.154 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.397 17.715 -15.564 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.667 21.281 -16.450 1.00 0.00 H new ATOM 0 HG22 ILE A 19 6.303 21.859 -16.053 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.046 20.820 -17.476 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.085 17.964 -16.322 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.384 18.974 -14.887 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.319 19.719 -16.502 1.00 0.00 H new ATOM 249 N HIS A 20 8.500 21.223 -14.367 1.00 0.00 N ATOM 250 CA HIS A 20 9.287 22.441 -14.208 1.00 0.00 C ATOM 251 C HIS A 20 10.760 22.111 -13.985 1.00 0.00 C ATOM 252 O HIS A 20 11.633 22.950 -14.203 1.00 0.00 O ATOM 253 CB HIS A 20 8.755 23.267 -13.036 1.00 0.00 C ATOM 254 CG HIS A 20 9.416 22.950 -11.730 1.00 0.00 C ATOM 255 ND1 HIS A 20 10.305 23.802 -11.110 1.00 0.00 N ATOM 256 CD2 HIS A 20 9.312 21.866 -10.926 1.00 0.00 C ATOM 257 CE1 HIS A 20 10.720 23.256 -9.981 1.00 0.00 C ATOM 258 NE2 HIS A 20 10.132 22.081 -9.846 1.00 0.00 N ATOM 0 H HIS A 20 8.142 20.835 -13.494 1.00 0.00 H new ATOM 0 HA HIS A 20 9.198 23.024 -15.125 1.00 0.00 H new ATOM 0 HB2 HIS A 20 8.893 24.326 -13.256 1.00 0.00 H new ATOM 0 HB3 HIS A 20 7.682 23.099 -12.941 1.00 0.00 H new ATOM 0 HD2 HIS A 20 8.699 20.995 -11.101 1.00 0.00 H new ATOM 0 HE1 HIS A 20 11.421 23.696 -9.287 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.265 21.438 -9.066 1.00 0.00 H new ATOM 266 N GLU A 21 11.027 20.883 -13.551 1.00 0.00 N ATOM 267 CA GLU A 21 12.394 20.444 -13.298 1.00 0.00 C ATOM 268 C GLU A 21 13.093 20.062 -14.600 1.00 0.00 C ATOM 269 O GLU A 21 14.171 20.569 -14.910 1.00 0.00 O ATOM 270 CB GLU A 21 12.402 19.255 -12.335 1.00 0.00 C ATOM 271 CG GLU A 21 12.379 19.658 -10.870 1.00 0.00 C ATOM 272 CD GLU A 21 13.745 20.069 -10.357 1.00 0.00 C ATOM 273 OE1 GLU A 21 14.421 20.866 -11.040 1.00 0.00 O ATOM 274 OE2 GLU A 21 14.138 19.594 -9.271 1.00 0.00 O ATOM 0 H GLU A 21 10.315 20.176 -13.368 1.00 0.00 H new ATOM 0 HA GLU A 21 12.936 21.274 -12.844 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.538 18.624 -12.543 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.290 18.652 -12.523 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.681 20.484 -10.735 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.006 18.825 -10.274 1.00 0.00 H new ATOM 281 N ARG A 22 12.470 19.165 -15.357 1.00 0.00 N ATOM 282 CA ARG A 22 13.032 18.713 -16.625 1.00 0.00 C ATOM 283 C ARG A 22 12.321 19.376 -17.801 1.00 0.00 C ATOM 284 O ARG A 22 12.881 20.245 -18.469 1.00 0.00 O ATOM 285 CB ARG A 22 12.925 17.192 -16.741 1.00 0.00 C ATOM 286 CG ARG A 22 13.793 16.442 -15.745 1.00 0.00 C ATOM 287 CD ARG A 22 13.201 15.084 -15.401 1.00 0.00 C ATOM 288 NE ARG A 22 14.068 14.319 -14.508 1.00 0.00 N ATOM 289 CZ ARG A 22 14.914 13.385 -14.928 1.00 0.00 C ATOM 290 NH1 ARG A 22 15.007 13.102 -16.220 1.00 0.00 N ATOM 291 NH2 ARG A 22 15.670 12.732 -14.054 1.00 0.00 N ATOM 0 H ARG A 22 11.576 18.737 -15.115 1.00 0.00 H new ATOM 0 HA ARG A 22 14.084 18.999 -16.651 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.885 16.898 -16.598 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.205 16.893 -17.751 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.793 16.310 -16.159 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.900 17.034 -14.836 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.227 15.222 -14.931 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.035 14.518 -16.318 1.00 0.00 H new ATOM 0 HE ARG A 22 14.021 14.513 -13.508 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.428 13.602 -16.895 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.658 12.384 -16.539 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.601 12.947 -13.059 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.319 12.015 -14.377 1.00 0.00 H new ATOM 305 N GLY A 23 11.083 18.958 -18.050 1.00 0.00 N ATOM 306 CA GLY A 23 10.317 19.521 -19.146 1.00 0.00 C ATOM 307 C GLY A 23 8.858 19.112 -19.103 1.00 0.00 C ATOM 308 O GLY A 23 7.980 19.945 -18.876 1.00 0.00 O ATOM 0 H GLY A 23 10.598 18.240 -17.512 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.388 20.608 -19.114 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.753 19.201 -20.092 1.00 0.00 H new ATOM 312 N GLU A 24 8.598 17.827 -19.322 1.00 0.00 N ATOM 313 CA GLU A 24 7.234 17.311 -19.310 1.00 0.00 C ATOM 314 C GLU A 24 7.180 15.930 -18.662 1.00 0.00 C ATOM 315 O GLU A 24 8.159 15.185 -18.685 1.00 0.00 O ATOM 316 CB GLU A 24 6.678 17.241 -20.733 1.00 0.00 C ATOM 317 CG GLU A 24 7.510 16.380 -21.670 1.00 0.00 C ATOM 318 CD GLU A 24 7.193 16.634 -23.131 1.00 0.00 C ATOM 319 OE1 GLU A 24 7.552 17.718 -23.635 1.00 0.00 O ATOM 320 OE2 GLU A 24 6.588 15.748 -23.769 1.00 0.00 O ATOM 0 H GLU A 24 9.313 17.125 -19.510 1.00 0.00 H new ATOM 0 HA GLU A 24 6.620 17.994 -18.722 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.662 16.848 -20.698 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.616 18.250 -21.140 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.568 16.574 -21.493 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.336 15.328 -21.442 1.00 0.00 H new ATOM 327 N ALA A 25 6.030 15.598 -18.086 1.00 0.00 N ATOM 328 CA ALA A 25 5.848 14.307 -17.434 1.00 0.00 C ATOM 329 C ALA A 25 5.061 13.349 -18.322 1.00 0.00 C ATOM 330 O ALA A 25 3.842 13.229 -18.197 1.00 0.00 O ATOM 331 CB ALA A 25 5.145 14.486 -16.096 1.00 0.00 C ATOM 0 H ALA A 25 5.211 16.205 -18.057 1.00 0.00 H new ATOM 0 HA ALA A 25 6.833 13.874 -17.260 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.016 13.514 -15.620 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.746 15.128 -15.452 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.169 14.944 -16.256 1.00 0.00 H new ATOM 337 N VAL A 26 5.766 12.669 -19.221 1.00 0.00 N ATOM 338 CA VAL A 26 5.133 11.721 -20.131 1.00 0.00 C ATOM 339 C VAL A 26 4.606 10.505 -19.377 1.00 0.00 C ATOM 340 O VAL A 26 5.131 10.136 -18.326 1.00 0.00 O ATOM 341 CB VAL A 26 6.113 11.251 -21.222 1.00 0.00 C ATOM 342 CG1 VAL A 26 6.639 12.437 -22.015 1.00 0.00 C ATOM 343 CG2 VAL A 26 7.258 10.462 -20.604 1.00 0.00 C ATOM 0 H VAL A 26 6.775 12.757 -19.339 1.00 0.00 H new ATOM 0 HA VAL A 26 4.300 12.242 -20.602 1.00 0.00 H new ATOM 0 HB VAL A 26 5.578 10.595 -21.909 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.330 12.085 -22.781 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.806 12.956 -22.489 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.159 13.121 -21.344 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.941 10.137 -21.389 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.794 11.093 -19.895 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.860 9.590 -20.085 1.00 0.00 H new ATOM 353 N CYS A 27 3.565 9.885 -19.922 1.00 0.00 N ATOM 354 CA CYS A 27 2.965 8.709 -19.302 1.00 0.00 C ATOM 355 C CYS A 27 4.038 7.794 -18.720 1.00 0.00 C ATOM 356 O CYS A 27 4.969 7.372 -19.406 1.00 0.00 O ATOM 357 CB CYS A 27 2.125 7.941 -20.325 1.00 0.00 C ATOM 358 SG CYS A 27 1.280 6.478 -19.644 1.00 0.00 S ATOM 0 H CYS A 27 3.119 10.177 -20.792 1.00 0.00 H new ATOM 0 HA CYS A 27 2.320 9.046 -18.490 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.379 8.615 -20.746 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.770 7.626 -21.146 1.00 0.00 H new ATOM 0 HG CYS A 27 0.000 6.700 -19.594 1.00 0.00 H new ATOM 363 N PRO A 28 3.907 7.480 -17.422 1.00 0.00 N ATOM 364 CA PRO A 28 4.855 6.611 -16.718 1.00 0.00 C ATOM 365 C PRO A 28 4.765 5.161 -17.180 1.00 0.00 C ATOM 366 O PRO A 28 5.449 4.285 -16.648 1.00 0.00 O ATOM 367 CB PRO A 28 4.427 6.734 -15.253 1.00 0.00 C ATOM 368 CG PRO A 28 2.985 7.104 -15.309 1.00 0.00 C ATOM 369 CD PRO A 28 2.822 7.947 -16.543 1.00 0.00 C ATOM 0 HA PRO A 28 5.889 6.903 -16.900 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.574 5.796 -14.717 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.011 7.493 -14.733 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.356 6.215 -15.357 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.689 7.656 -14.417 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.844 7.803 -17.001 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.916 9.010 -16.319 1.00 0.00 H new ATOM 377 N THR A 29 3.917 4.912 -18.173 1.00 0.00 N ATOM 378 CA THR A 29 3.738 3.567 -18.706 1.00 0.00 C ATOM 379 C THR A 29 4.400 3.424 -20.071 1.00 0.00 C ATOM 380 O THR A 29 5.405 2.728 -20.215 1.00 0.00 O ATOM 381 CB THR A 29 2.246 3.207 -18.831 1.00 0.00 C ATOM 382 OG1 THR A 29 1.614 3.281 -17.548 1.00 0.00 O ATOM 383 CG2 THR A 29 2.073 1.810 -19.407 1.00 0.00 C ATOM 0 H THR A 29 3.343 5.624 -18.624 1.00 0.00 H new ATOM 0 HA THR A 29 4.212 2.882 -18.003 1.00 0.00 H new ATOM 0 HB THR A 29 1.778 3.923 -19.507 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.665 3.052 -17.637 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.011 1.578 -19.486 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.529 1.765 -20.396 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.555 1.084 -18.752 1.00 0.00 H new ATOM 391 N CYS A 30 3.831 4.087 -21.072 1.00 0.00 N ATOM 392 CA CYS A 30 4.366 4.035 -22.427 1.00 0.00 C ATOM 393 C CYS A 30 5.113 5.321 -22.767 1.00 0.00 C ATOM 394 O CYS A 30 5.905 5.360 -23.708 1.00 0.00 O ATOM 395 CB CYS A 30 3.237 3.806 -23.435 1.00 0.00 C ATOM 396 SG CYS A 30 1.679 4.648 -23.010 1.00 0.00 S ATOM 0 H CYS A 30 2.998 4.667 -20.970 1.00 0.00 H new ATOM 0 HA CYS A 30 5.068 3.203 -22.482 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.566 4.147 -24.417 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.049 2.735 -23.516 1.00 0.00 H new ATOM 0 HG CYS A 30 1.062 3.977 -22.083 1.00 0.00 H new ATOM 401 N ASN A 31 4.855 6.371 -21.995 1.00 0.00 N ATOM 402 CA ASN A 31 5.503 7.659 -22.214 1.00 0.00 C ATOM 403 C ASN A 31 5.010 8.303 -23.506 1.00 0.00 C ATOM 404 O ASN A 31 5.803 8.793 -24.310 1.00 0.00 O ATOM 405 CB ASN A 31 7.023 7.487 -22.264 1.00 0.00 C ATOM 406 CG ASN A 31 7.549 6.658 -21.108 1.00 0.00 C ATOM 407 OD1 ASN A 31 7.408 7.035 -19.945 1.00 0.00 O ATOM 408 ND2 ASN A 31 8.160 5.522 -21.425 1.00 0.00 N ATOM 0 H ASN A 31 4.202 6.356 -21.212 1.00 0.00 H new ATOM 0 HA ASN A 31 5.245 8.314 -21.381 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.301 7.012 -23.205 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.498 8.468 -22.250 1.00 0.00 H new ATOM 0 HD21 ASN A 31 8.535 4.922 -20.690 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.254 5.249 -22.403 1.00 0.00 H new ATOM 415 N VAL A 32 3.695 8.299 -23.698 1.00 0.00 N ATOM 416 CA VAL A 32 3.095 8.884 -24.891 1.00 0.00 C ATOM 417 C VAL A 32 1.751 9.529 -24.571 1.00 0.00 C ATOM 418 O VAL A 32 0.755 8.839 -24.355 1.00 0.00 O ATOM 419 CB VAL A 32 2.895 7.828 -25.995 1.00 0.00 C ATOM 420 CG1 VAL A 32 4.238 7.361 -26.537 1.00 0.00 C ATOM 421 CG2 VAL A 32 2.086 6.653 -25.467 1.00 0.00 C ATOM 0 H VAL A 32 3.025 7.897 -23.043 1.00 0.00 H new ATOM 0 HA VAL A 32 3.785 9.648 -25.250 1.00 0.00 H new ATOM 0 HB VAL A 32 2.339 8.284 -26.814 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.077 6.615 -27.316 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.777 8.211 -26.955 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.823 6.921 -25.729 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.954 5.917 -26.260 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.613 6.195 -24.630 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.110 7.004 -25.132 1.00 0.00 H new ATOM 431 N VAL A 33 1.731 10.858 -24.543 1.00 0.00 N ATOM 432 CA VAL A 33 0.508 11.598 -24.251 1.00 0.00 C ATOM 433 C VAL A 33 0.603 13.035 -24.751 1.00 0.00 C ATOM 434 O VAL A 33 1.586 13.421 -25.385 1.00 0.00 O ATOM 435 CB VAL A 33 0.208 11.610 -22.740 1.00 0.00 C ATOM 436 CG1 VAL A 33 -0.849 10.572 -22.398 1.00 0.00 C ATOM 437 CG2 VAL A 33 1.480 11.371 -21.942 1.00 0.00 C ATOM 0 H VAL A 33 2.547 11.444 -24.719 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.303 11.089 -24.771 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.181 12.592 -22.472 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.048 10.595 -21.327 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.767 10.794 -22.942 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.491 9.582 -22.679 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.249 11.383 -20.877 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.902 10.403 -22.211 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.202 12.156 -22.165 1.00 0.00 H new ATOM 447 N THR A 34 -0.427 13.825 -24.462 1.00 0.00 N ATOM 448 CA THR A 34 -0.461 15.220 -24.883 1.00 0.00 C ATOM 449 C THR A 34 0.902 15.880 -24.709 1.00 0.00 C ATOM 450 O THR A 34 1.731 15.417 -23.926 1.00 0.00 O ATOM 451 CB THR A 34 -1.512 16.020 -24.091 1.00 0.00 C ATOM 452 OG1 THR A 34 -2.740 15.286 -24.027 1.00 0.00 O ATOM 453 CG2 THR A 34 -1.758 17.376 -24.735 1.00 0.00 C ATOM 0 H THR A 34 -1.248 13.522 -23.938 1.00 0.00 H new ATOM 0 HA THR A 34 -0.732 15.225 -25.939 1.00 0.00 H new ATOM 0 HB THR A 34 -1.131 16.179 -23.082 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.403 15.800 -23.520 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.504 17.923 -24.158 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.827 17.943 -24.755 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.119 17.235 -25.754 1.00 0.00 H new ATOM 461 N ARG A 35 1.126 16.966 -25.442 1.00 0.00 N ATOM 462 CA ARG A 35 2.390 17.690 -25.368 1.00 0.00 C ATOM 463 C ARG A 35 2.646 18.193 -23.950 1.00 0.00 C ATOM 464 O ARG A 35 3.784 18.205 -23.480 1.00 0.00 O ATOM 465 CB ARG A 35 2.385 18.867 -26.345 1.00 0.00 C ATOM 466 CG ARG A 35 2.256 18.450 -27.801 1.00 0.00 C ATOM 467 CD ARG A 35 1.795 19.607 -28.673 1.00 0.00 C ATOM 468 NE ARG A 35 1.445 19.170 -30.022 1.00 0.00 N ATOM 469 CZ ARG A 35 1.210 20.006 -31.027 1.00 0.00 C ATOM 470 NH1 ARG A 35 1.286 21.316 -30.837 1.00 0.00 N ATOM 471 NH2 ARG A 35 0.897 19.532 -32.227 1.00 0.00 N ATOM 0 H ARG A 35 0.449 17.364 -26.093 1.00 0.00 H new ATOM 0 HA ARG A 35 3.191 17.003 -25.641 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.561 19.534 -26.093 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.306 19.436 -26.219 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.216 18.081 -28.161 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.547 17.626 -27.883 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.932 20.087 -28.212 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.585 20.356 -28.728 1.00 0.00 H new ATOM 0 HE ARG A 35 1.377 18.168 -30.202 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.526 21.685 -29.917 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.105 21.955 -31.611 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.837 18.525 -32.378 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.717 20.175 -32.998 1.00 0.00 H new ATOM 485 N LYS A 36 1.580 18.607 -23.273 1.00 0.00 N ATOM 486 CA LYS A 36 1.688 19.110 -21.909 1.00 0.00 C ATOM 487 C LYS A 36 1.696 17.962 -20.905 1.00 0.00 C ATOM 488 O LYS A 36 2.248 18.084 -19.810 1.00 0.00 O ATOM 489 CB LYS A 36 0.530 20.063 -21.602 1.00 0.00 C ATOM 490 CG LYS A 36 0.754 21.476 -22.110 1.00 0.00 C ATOM 491 CD LYS A 36 -0.477 22.344 -21.907 1.00 0.00 C ATOM 492 CE LYS A 36 -1.529 22.076 -22.972 1.00 0.00 C ATOM 493 NZ LYS A 36 -1.033 22.406 -24.337 1.00 0.00 N ATOM 0 H LYS A 36 0.631 18.604 -23.647 1.00 0.00 H new ATOM 0 HA LYS A 36 2.630 19.652 -21.821 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.383 19.667 -22.046 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.372 20.094 -20.524 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.603 21.920 -21.590 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.009 21.447 -23.169 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.899 22.153 -20.920 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.191 23.395 -21.933 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.823 21.027 -22.936 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.421 22.665 -22.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.841 22.589 -24.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.430 23.252 -24.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.480 21.607 -24.708 1.00 0.00 H new ATOM 507 N THR A 37 1.081 16.846 -21.284 1.00 0.00 N ATOM 508 CA THR A 37 1.018 15.676 -20.417 1.00 0.00 C ATOM 509 C THR A 37 0.495 16.045 -19.033 1.00 0.00 C ATOM 510 O THR A 37 1.041 15.615 -18.017 1.00 0.00 O ATOM 511 CB THR A 37 2.399 15.010 -20.270 1.00 0.00 C ATOM 512 OG1 THR A 37 3.197 15.738 -19.329 1.00 0.00 O ATOM 513 CG2 THR A 37 3.116 14.949 -21.610 1.00 0.00 C ATOM 0 H THR A 37 0.619 16.728 -22.186 1.00 0.00 H new ATOM 0 HA THR A 37 0.331 14.972 -20.887 1.00 0.00 H new ATOM 0 HB THR A 37 2.250 13.992 -19.909 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.861 16.655 -19.255 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.089 14.475 -21.481 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.520 14.369 -22.315 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.253 15.959 -21.996 1.00 0.00 H new ATOM 521 N LEU A 38 -0.567 16.842 -19.001 1.00 0.00 N ATOM 522 CA LEU A 38 -1.166 17.268 -17.741 1.00 0.00 C ATOM 523 C LEU A 38 -2.633 16.856 -17.668 1.00 0.00 C ATOM 524 O LEU A 38 -3.062 16.218 -16.706 1.00 0.00 O ATOM 525 CB LEU A 38 -1.043 18.785 -17.582 1.00 0.00 C ATOM 526 CG LEU A 38 -0.884 19.299 -16.151 1.00 0.00 C ATOM 527 CD1 LEU A 38 -1.965 18.719 -15.252 1.00 0.00 C ATOM 528 CD2 LEU A 38 0.498 18.960 -15.612 1.00 0.00 C ATOM 0 H LEU A 38 -1.031 17.206 -19.833 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.629 16.778 -16.929 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.187 19.123 -18.165 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.928 19.249 -18.017 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.992 20.384 -16.162 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.836 19.096 -14.238 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.946 19.013 -15.626 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.890 17.632 -15.247 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.593 19.334 -14.592 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.635 17.879 -15.616 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.258 19.424 -16.241 1.00 0.00 H new ATOM 540 N VAL A 39 -3.397 17.222 -18.691 1.00 0.00 N ATOM 541 CA VAL A 39 -4.815 16.888 -18.745 1.00 0.00 C ATOM 542 C VAL A 39 -5.031 15.506 -19.353 1.00 0.00 C ATOM 543 O VAL A 39 -5.715 14.663 -18.775 1.00 0.00 O ATOM 544 CB VAL A 39 -5.606 17.926 -19.563 1.00 0.00 C ATOM 545 CG1 VAL A 39 -5.513 19.299 -18.916 1.00 0.00 C ATOM 546 CG2 VAL A 39 -5.104 17.968 -20.998 1.00 0.00 C ATOM 0 H VAL A 39 -3.058 17.751 -19.495 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.180 16.892 -17.718 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.655 17.629 -19.578 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.078 20.019 -19.508 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.925 19.255 -17.908 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.469 19.608 -18.868 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.674 18.707 -21.561 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.049 18.241 -21.006 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.229 16.987 -21.456 1.00 0.00 H new ATOM 556 N GLY A 40 -4.442 15.282 -20.523 1.00 0.00 N ATOM 557 CA GLY A 40 -4.581 14.000 -21.190 1.00 0.00 C ATOM 558 C GLY A 40 -3.886 12.879 -20.444 1.00 0.00 C ATOM 559 O GLY A 40 -4.375 11.749 -20.410 1.00 0.00 O ATOM 0 H GLY A 40 -3.871 15.965 -21.021 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.639 13.761 -21.294 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.170 14.072 -22.197 1.00 0.00 H new ATOM 563 N LEU A 41 -2.742 13.190 -19.845 1.00 0.00 N ATOM 564 CA LEU A 41 -1.976 12.200 -19.096 1.00 0.00 C ATOM 565 C LEU A 41 -2.878 11.421 -18.144 1.00 0.00 C ATOM 566 O LEU A 41 -2.620 10.256 -17.839 1.00 0.00 O ATOM 567 CB LEU A 41 -0.854 12.880 -18.311 1.00 0.00 C ATOM 568 CG LEU A 41 -0.125 12.008 -17.288 1.00 0.00 C ATOM 569 CD1 LEU A 41 0.998 11.228 -17.955 1.00 0.00 C ATOM 570 CD2 LEU A 41 0.418 12.860 -16.150 1.00 0.00 C ATOM 0 H LEU A 41 -2.324 14.120 -19.863 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.539 11.500 -19.809 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.121 13.261 -19.021 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.272 13.742 -17.791 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.838 11.296 -16.873 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.505 10.613 -17.212 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.584 10.588 -18.734 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.711 11.923 -18.398 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.933 12.222 -15.432 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.116 13.596 -16.548 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.406 13.372 -15.654 1.00 0.00 H new ATOM 582 N LYS A 42 -3.939 12.071 -17.678 1.00 0.00 N ATOM 583 CA LYS A 42 -4.883 11.439 -16.763 1.00 0.00 C ATOM 584 C LYS A 42 -5.945 10.658 -17.530 1.00 0.00 C ATOM 585 O LYS A 42 -6.209 9.493 -17.233 1.00 0.00 O ATOM 586 CB LYS A 42 -5.550 12.494 -15.877 1.00 0.00 C ATOM 587 CG LYS A 42 -4.598 13.155 -14.896 1.00 0.00 C ATOM 588 CD LYS A 42 -5.233 14.365 -14.232 1.00 0.00 C ATOM 589 CE LYS A 42 -6.253 13.953 -13.181 1.00 0.00 C ATOM 590 NZ LYS A 42 -5.612 13.270 -12.024 1.00 0.00 N ATOM 0 H LYS A 42 -4.167 13.036 -17.919 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.329 10.742 -16.134 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.994 13.261 -16.512 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.364 12.028 -15.322 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.301 12.434 -14.134 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.690 13.459 -15.417 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.458 14.976 -13.769 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.717 14.984 -14.988 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.790 14.835 -12.830 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.991 13.289 -13.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.249 13.307 -11.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.421 12.278 -12.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.718 13.747 -11.791 1.00 0.00 H new ATOM 604 N LYS A 43 -6.551 11.307 -18.519 1.00 0.00 N ATOM 605 CA LYS A 43 -7.582 10.673 -19.331 1.00 0.00 C ATOM 606 C LYS A 43 -6.988 9.570 -20.202 1.00 0.00 C ATOM 607 O LYS A 43 -7.716 8.758 -20.774 1.00 0.00 O ATOM 608 CB LYS A 43 -8.278 11.714 -20.212 1.00 0.00 C ATOM 609 CG LYS A 43 -9.208 12.637 -19.444 1.00 0.00 C ATOM 610 CD LYS A 43 -8.483 13.880 -18.957 1.00 0.00 C ATOM 611 CE LYS A 43 -9.418 15.077 -18.881 1.00 0.00 C ATOM 612 NZ LYS A 43 -9.914 15.480 -20.226 1.00 0.00 N ATOM 0 H LYS A 43 -6.345 12.272 -18.777 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.314 10.226 -18.659 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.521 12.314 -20.718 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.848 11.200 -20.986 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.042 12.928 -20.083 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.630 12.103 -18.592 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.053 13.690 -17.974 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.655 14.106 -19.629 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.265 14.836 -18.239 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.897 15.916 -18.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.144 16.494 -20.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.178 15.295 -20.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.767 14.933 -20.460 1.00 0.00 H new ATOM 626 N HIS A 44 -5.663 9.547 -20.297 1.00 0.00 N ATOM 627 CA HIS A 44 -4.971 8.542 -21.096 1.00 0.00 C ATOM 628 C HIS A 44 -4.574 7.344 -20.238 1.00 0.00 C ATOM 629 O HIS A 44 -4.670 6.197 -20.674 1.00 0.00 O ATOM 630 CB HIS A 44 -3.730 9.147 -21.752 1.00 0.00 C ATOM 631 CG HIS A 44 -2.724 8.126 -22.187 1.00 0.00 C ATOM 632 ND1 HIS A 44 -2.574 7.729 -23.499 1.00 0.00 N ATOM 633 CD2 HIS A 44 -1.814 7.421 -21.476 1.00 0.00 C ATOM 634 CE1 HIS A 44 -1.616 6.822 -23.576 1.00 0.00 C ATOM 635 NE2 HIS A 44 -1.138 6.618 -22.362 1.00 0.00 N ATOM 0 H HIS A 44 -5.047 10.213 -19.831 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.654 8.199 -21.874 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.037 9.735 -22.617 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.257 9.835 -21.051 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.650 7.479 -20.410 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -1.281 6.331 -24.478 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.388 5.969 -22.121 1.00 0.00 H new ATOM 643 N MET A 45 -4.129 7.619 -19.016 1.00 0.00 N ATOM 644 CA MET A 45 -3.718 6.564 -18.097 1.00 0.00 C ATOM 645 C MET A 45 -4.917 5.729 -17.658 1.00 0.00 C ATOM 646 O MET A 45 -4.800 4.522 -17.449 1.00 0.00 O ATOM 647 CB MET A 45 -3.024 7.165 -16.874 1.00 0.00 C ATOM 648 CG MET A 45 -3.990 7.668 -15.814 1.00 0.00 C ATOM 649 SD MET A 45 -3.170 8.054 -14.255 1.00 0.00 S ATOM 650 CE MET A 45 -1.951 9.248 -14.799 1.00 0.00 C ATOM 0 H MET A 45 -4.044 8.563 -18.640 1.00 0.00 H new ATOM 0 HA MET A 45 -3.016 5.914 -18.620 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.371 6.413 -16.431 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.389 7.990 -17.196 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.497 8.559 -16.184 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.757 6.914 -15.640 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.022 9.095 -14.251 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.768 9.121 -15.866 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.321 10.256 -14.612 1.00 0.00 H new ATOM 660 N GLU A 46 -6.067 6.381 -17.518 1.00 0.00 N ATOM 661 CA GLU A 46 -7.286 5.697 -17.102 1.00 0.00 C ATOM 662 C GLU A 46 -7.470 4.394 -17.874 1.00 0.00 C ATOM 663 O GLU A 46 -7.849 3.370 -17.305 1.00 0.00 O ATOM 664 CB GLU A 46 -8.502 6.603 -17.311 1.00 0.00 C ATOM 665 CG GLU A 46 -8.398 7.486 -18.543 1.00 0.00 C ATOM 666 CD GLU A 46 -9.710 8.166 -18.885 1.00 0.00 C ATOM 667 OE1 GLU A 46 -10.414 8.599 -17.949 1.00 0.00 O ATOM 668 OE2 GLU A 46 -10.032 8.264 -20.087 1.00 0.00 O ATOM 0 H GLU A 46 -6.180 7.381 -17.686 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.196 5.461 -16.042 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.396 5.984 -17.392 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.630 7.234 -16.432 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.632 8.244 -18.379 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.073 6.883 -19.391 1.00 0.00 H new ATOM 675 N VAL A 47 -7.200 4.440 -19.175 1.00 0.00 N ATOM 676 CA VAL A 47 -7.334 3.265 -20.026 1.00 0.00 C ATOM 677 C VAL A 47 -5.975 2.637 -20.315 1.00 0.00 C ATOM 678 O VAL A 47 -5.874 1.434 -20.557 1.00 0.00 O ATOM 679 CB VAL A 47 -8.021 3.613 -21.360 1.00 0.00 C ATOM 680 CG1 VAL A 47 -9.379 4.250 -21.111 1.00 0.00 C ATOM 681 CG2 VAL A 47 -7.136 4.531 -22.190 1.00 0.00 C ATOM 0 H VAL A 47 -6.887 5.280 -19.662 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.953 2.550 -19.483 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.177 2.691 -21.921 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.849 4.489 -22.065 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.011 3.555 -20.559 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.251 5.164 -20.530 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.636 4.767 -23.129 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.948 5.452 -21.638 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.189 4.033 -22.399 1.00 0.00 H new ATOM 691 N CYS A 48 -4.932 3.459 -20.288 1.00 0.00 N ATOM 692 CA CYS A 48 -3.578 2.986 -20.546 1.00 0.00 C ATOM 693 C CYS A 48 -3.342 1.627 -19.892 1.00 0.00 C ATOM 694 O CYS A 48 -2.891 0.685 -20.543 1.00 0.00 O ATOM 695 CB CYS A 48 -2.554 3.998 -20.028 1.00 0.00 C ATOM 696 SG CYS A 48 -0.839 3.644 -20.532 1.00 0.00 S ATOM 0 H CYS A 48 -4.999 4.457 -20.090 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.458 2.877 -21.624 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.828 4.991 -20.384 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.604 4.024 -18.939 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.086 4.668 -20.259 1.00 0.00 H new ATOM 701 N GLN A 49 -3.651 1.536 -18.603 1.00 0.00 N ATOM 702 CA GLN A 49 -3.472 0.293 -17.861 1.00 0.00 C ATOM 703 C GLN A 49 -4.221 -0.854 -18.533 1.00 0.00 C ATOM 704 O GLN A 49 -3.711 -1.970 -18.629 1.00 0.00 O ATOM 705 CB GLN A 49 -3.957 0.460 -16.420 1.00 0.00 C ATOM 706 CG GLN A 49 -2.887 0.981 -15.475 1.00 0.00 C ATOM 707 CD GLN A 49 -3.406 1.195 -14.067 1.00 0.00 C ATOM 708 OE1 GLN A 49 -3.407 0.277 -13.247 1.00 0.00 O ATOM 709 NE2 GLN A 49 -3.852 2.413 -13.779 1.00 0.00 N ATOM 0 H GLN A 49 -4.026 2.307 -18.051 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.409 0.053 -17.853 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.805 1.144 -16.408 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.318 -0.501 -16.053 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.056 0.276 -15.449 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.494 1.922 -15.860 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.833 3.144 -14.490 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.214 2.617 -12.847 1.00 0.00 H new ATOM 718 N LYS A 50 -5.434 -0.571 -18.995 1.00 0.00 N ATOM 719 CA LYS A 50 -6.254 -1.578 -19.659 1.00 0.00 C ATOM 720 C LYS A 50 -5.574 -2.084 -20.927 1.00 0.00 C ATOM 721 O LYS A 50 -5.639 -3.272 -21.247 1.00 0.00 O ATOM 722 CB LYS A 50 -7.630 -1.001 -20.000 1.00 0.00 C ATOM 723 CG LYS A 50 -8.463 -1.904 -20.893 1.00 0.00 C ATOM 724 CD LYS A 50 -9.422 -1.102 -21.757 1.00 0.00 C ATOM 725 CE LYS A 50 -10.762 -0.903 -21.066 1.00 0.00 C ATOM 726 NZ LYS A 50 -11.759 -0.258 -21.965 1.00 0.00 N ATOM 0 H LYS A 50 -5.871 0.348 -18.922 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.378 -2.418 -18.975 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.176 -0.815 -19.075 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.499 -0.038 -20.493 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.805 -2.495 -21.530 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.026 -2.606 -20.278 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.982 -0.131 -21.986 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.574 -1.615 -22.707 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.145 -1.867 -20.731 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.624 -0.289 -20.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.659 -0.140 -21.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.405 0.673 -22.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.910 -0.856 -22.802 1.00 0.00 H new ATOM 740 N LEU A 51 -4.921 -1.177 -21.645 1.00 0.00 N ATOM 741 CA LEU A 51 -4.227 -1.532 -22.878 1.00 0.00 C ATOM 742 C LEU A 51 -2.995 -2.381 -22.584 1.00 0.00 C ATOM 743 O LEU A 51 -2.954 -3.566 -22.914 1.00 0.00 O ATOM 744 CB LEU A 51 -3.821 -0.268 -23.639 1.00 0.00 C ATOM 745 CG LEU A 51 -4.917 0.394 -24.474 1.00 0.00 C ATOM 746 CD1 LEU A 51 -5.385 -0.540 -25.579 1.00 0.00 C ATOM 747 CD2 LEU A 51 -6.086 0.805 -23.590 1.00 0.00 C ATOM 0 H LEU A 51 -4.858 -0.190 -21.395 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.909 -2.117 -23.495 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.450 0.462 -22.919 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.990 -0.517 -24.299 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.503 1.290 -24.936 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.165 -0.051 -26.162 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.545 -0.784 -26.229 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.781 -1.455 -25.139 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.857 1.275 -24.201 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.499 -0.077 -23.099 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.741 1.512 -22.835 1.00 0.00 H new ATOM 759 N GLN A 52 -1.994 -1.767 -21.961 1.00 0.00 N ATOM 760 CA GLN A 52 -0.762 -2.469 -21.622 1.00 0.00 C ATOM 761 C GLN A 52 -1.046 -3.921 -21.254 1.00 0.00 C ATOM 762 O GLN A 52 -0.259 -4.816 -21.566 1.00 0.00 O ATOM 763 CB GLN A 52 -0.053 -1.766 -20.463 1.00 0.00 C ATOM 764 CG GLN A 52 -0.778 -1.901 -19.134 1.00 0.00 C ATOM 765 CD GLN A 52 0.107 -1.569 -17.949 1.00 0.00 C ATOM 766 OE1 GLN A 52 1.252 -1.145 -18.114 1.00 0.00 O ATOM 767 NE2 GLN A 52 -0.418 -1.759 -16.745 1.00 0.00 N ATOM 0 H GLN A 52 -2.012 -0.786 -21.681 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.113 -2.456 -22.498 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.952 -2.174 -20.362 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.055 -0.708 -20.702 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.646 -1.242 -19.130 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.151 -2.920 -19.030 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.371 -2.112 -16.654 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.131 -1.552 -15.911 1.00 0.00 H new ATOM 776 N ASP A 53 -2.173 -4.148 -20.589 1.00 0.00 N ATOM 777 CA ASP A 53 -2.561 -5.493 -20.178 1.00 0.00 C ATOM 778 C ASP A 53 -2.535 -6.452 -21.365 1.00 0.00 C ATOM 779 O ASP A 53 -1.943 -7.528 -21.293 1.00 0.00 O ATOM 780 CB ASP A 53 -3.956 -5.475 -19.551 1.00 0.00 C ATOM 781 CG ASP A 53 -3.956 -4.878 -18.158 1.00 0.00 C ATOM 782 OD1 ASP A 53 -2.872 -4.807 -17.543 1.00 0.00 O ATOM 783 OD2 ASP A 53 -5.041 -4.483 -17.682 1.00 0.00 O ATOM 0 H ASP A 53 -2.834 -3.418 -20.323 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.843 -5.842 -19.436 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.630 -4.903 -20.188 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.345 -6.492 -19.507 1.00 0.00 H new ATOM 788 N ALA A 54 -3.183 -6.054 -22.455 1.00 0.00 N ATOM 789 CA ALA A 54 -3.233 -6.877 -23.657 1.00 0.00 C ATOM 790 C ALA A 54 -1.833 -7.278 -24.107 1.00 0.00 C ATOM 791 O ALA A 54 -1.575 -8.445 -24.404 1.00 0.00 O ATOM 792 CB ALA A 54 -3.957 -6.138 -24.772 1.00 0.00 C ATOM 0 H ALA A 54 -3.681 -5.167 -22.530 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.784 -7.787 -23.422 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.987 -6.764 -25.664 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.974 -5.908 -24.455 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.429 -5.211 -24.997 1.00 0.00 H new ATOM 798 N LEU A 55 -0.931 -6.304 -24.156 1.00 0.00 N ATOM 799 CA LEU A 55 0.445 -6.555 -24.572 1.00 0.00 C ATOM 800 C LEU A 55 1.154 -7.470 -23.579 1.00 0.00 C ATOM 801 O LEU A 55 1.946 -8.330 -23.967 1.00 0.00 O ATOM 802 CB LEU A 55 1.208 -5.236 -24.702 1.00 0.00 C ATOM 803 CG LEU A 55 0.899 -4.401 -25.946 1.00 0.00 C ATOM 804 CD1 LEU A 55 1.405 -5.102 -27.197 1.00 0.00 C ATOM 805 CD2 LEU A 55 -0.595 -4.132 -26.050 1.00 0.00 C ATOM 0 H LEU A 55 -1.127 -5.333 -23.913 1.00 0.00 H new ATOM 0 HA LEU A 55 0.421 -7.050 -25.543 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.998 -4.630 -23.821 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.276 -5.455 -24.692 1.00 0.00 H new ATOM 0 HG LEU A 55 1.414 -3.445 -25.856 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.177 -4.494 -28.072 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.483 -5.243 -27.124 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.918 -6.073 -27.292 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.796 -3.537 -26.941 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.131 -5.079 -26.117 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.929 -3.588 -25.167 1.00 0.00 H new ATOM 817 N LYS A 56 0.864 -7.282 -22.296 1.00 0.00 N ATOM 818 CA LYS A 56 1.471 -8.092 -21.247 1.00 0.00 C ATOM 819 C LYS A 56 1.168 -9.572 -21.459 1.00 0.00 C ATOM 820 O LYS A 56 0.010 -9.989 -21.430 1.00 0.00 O ATOM 821 CB LYS A 56 0.963 -7.648 -19.873 1.00 0.00 C ATOM 822 CG LYS A 56 1.820 -8.140 -18.720 1.00 0.00 C ATOM 823 CD LYS A 56 1.148 -7.892 -17.380 1.00 0.00 C ATOM 824 CE LYS A 56 1.880 -8.599 -16.250 1.00 0.00 C ATOM 825 NZ LYS A 56 1.518 -10.041 -16.170 1.00 0.00 N ATOM 0 H LYS A 56 0.212 -6.575 -21.958 1.00 0.00 H new ATOM 0 HA LYS A 56 2.551 -7.950 -21.292 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.921 -6.559 -19.845 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.056 -8.010 -19.737 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.014 -9.206 -18.839 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.786 -7.636 -18.742 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.116 -6.821 -17.180 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.116 -8.239 -17.420 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.956 -8.502 -16.398 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.643 -8.112 -15.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.655 -10.380 -15.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.522 -10.165 -16.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.124 -10.587 -16.815 1.00 0.00 H new ATOM 839 N CYS A 57 2.216 -10.362 -21.669 1.00 0.00 N ATOM 840 CA CYS A 57 2.062 -11.795 -21.884 1.00 0.00 C ATOM 841 C CYS A 57 1.435 -12.464 -20.665 1.00 0.00 C ATOM 842 O CYS A 57 1.199 -11.819 -19.644 1.00 0.00 O ATOM 843 CB CYS A 57 3.419 -12.435 -22.189 1.00 0.00 C ATOM 844 SG CYS A 57 3.320 -13.929 -23.226 1.00 0.00 S ATOM 0 H CYS A 57 3.181 -10.033 -21.695 1.00 0.00 H new ATOM 0 HA CYS A 57 1.399 -11.940 -22.737 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.051 -11.701 -22.688 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.908 -12.690 -21.249 1.00 0.00 H new ATOM 0 HG CYS A 57 4.460 -14.122 -23.819 1.00 0.00 H new ATOM 849 N GLN A 58 1.167 -13.761 -20.781 1.00 0.00 N ATOM 850 CA GLN A 58 0.567 -14.517 -19.688 1.00 0.00 C ATOM 851 C GLN A 58 1.503 -15.623 -19.212 1.00 0.00 C ATOM 852 O GLN A 58 1.813 -15.720 -18.024 1.00 0.00 O ATOM 853 CB GLN A 58 -0.769 -15.118 -20.129 1.00 0.00 C ATOM 854 CG GLN A 58 -1.487 -15.880 -19.027 1.00 0.00 C ATOM 855 CD GLN A 58 -2.120 -14.962 -18.000 1.00 0.00 C ATOM 856 OE1 GLN A 58 -3.275 -14.558 -18.139 1.00 0.00 O ATOM 857 NE2 GLN A 58 -1.365 -14.627 -16.960 1.00 0.00 N ATOM 0 H GLN A 58 1.356 -14.309 -21.620 1.00 0.00 H new ATOM 0 HA GLN A 58 0.393 -13.832 -18.858 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.417 -14.318 -20.488 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.596 -15.789 -20.970 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.258 -16.511 -19.469 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.780 -16.543 -18.529 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.413 -14.985 -16.885 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.737 -14.012 -16.237 1.00 0.00 H new ATOM 866 N HIS A 59 1.950 -16.456 -20.147 1.00 0.00 N ATOM 867 CA HIS A 59 2.851 -17.556 -19.822 1.00 0.00 C ATOM 868 C HIS A 59 4.112 -17.040 -19.134 1.00 0.00 C ATOM 869 O HIS A 59 4.584 -17.628 -18.160 1.00 0.00 O ATOM 870 CB HIS A 59 3.227 -18.326 -21.089 1.00 0.00 C ATOM 871 CG HIS A 59 2.047 -18.893 -21.816 1.00 0.00 C ATOM 872 ND1 HIS A 59 1.070 -19.644 -21.197 1.00 0.00 N ATOM 873 CD2 HIS A 59 1.689 -18.815 -23.120 1.00 0.00 C ATOM 874 CE1 HIS A 59 0.164 -20.004 -22.087 1.00 0.00 C ATOM 875 NE2 HIS A 59 0.515 -19.513 -23.262 1.00 0.00 N ATOM 0 H HIS A 59 1.703 -16.390 -21.135 1.00 0.00 H new ATOM 0 HA HIS A 59 2.333 -18.227 -19.137 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.772 -17.662 -21.760 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.905 -19.138 -20.824 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.227 -18.300 -23.902 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.715 -20.599 -21.888 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -0.002 -19.633 -24.133 1.00 0.00 H new ATOM 883 N CYS A 60 4.652 -15.940 -19.647 1.00 0.00 N ATOM 884 CA CYS A 60 5.858 -15.345 -19.083 1.00 0.00 C ATOM 885 C CYS A 60 5.521 -14.100 -18.268 1.00 0.00 C ATOM 886 O CYS A 60 6.355 -13.591 -17.519 1.00 0.00 O ATOM 887 CB CYS A 60 6.844 -14.988 -20.197 1.00 0.00 C ATOM 888 SG CYS A 60 6.393 -13.494 -21.138 1.00 0.00 S ATOM 0 H CYS A 60 4.274 -15.442 -20.453 1.00 0.00 H new ATOM 0 HA CYS A 60 6.319 -16.077 -18.420 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.833 -14.845 -19.761 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.918 -15.830 -20.886 1.00 0.00 H new ATOM 0 HG CYS A 60 6.377 -13.770 -22.408 1.00 0.00 H new ATOM 893 N ARG A 61 4.292 -13.616 -18.419 1.00 0.00 N ATOM 894 CA ARG A 61 3.845 -12.430 -17.698 1.00 0.00 C ATOM 895 C ARG A 61 4.859 -11.297 -17.832 1.00 0.00 C ATOM 896 O ARG A 61 5.310 -10.733 -16.836 1.00 0.00 O ATOM 897 CB ARG A 61 3.624 -12.759 -16.221 1.00 0.00 C ATOM 898 CG ARG A 61 2.219 -13.249 -15.910 1.00 0.00 C ATOM 899 CD ARG A 61 2.215 -14.226 -14.744 1.00 0.00 C ATOM 900 NE ARG A 61 0.972 -14.163 -13.981 1.00 0.00 N ATOM 901 CZ ARG A 61 0.505 -15.171 -13.252 1.00 0.00 C ATOM 902 NH1 ARG A 61 1.176 -16.312 -13.186 1.00 0.00 N ATOM 903 NH2 ARG A 61 -0.634 -15.037 -12.585 1.00 0.00 N ATOM 0 H ARG A 61 3.589 -14.027 -19.033 1.00 0.00 H new ATOM 0 HA ARG A 61 2.902 -12.103 -18.136 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.341 -13.521 -15.916 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.830 -11.870 -15.625 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.579 -12.398 -15.675 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.797 -13.731 -16.792 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.359 -15.239 -15.120 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.056 -14.008 -14.086 1.00 0.00 H new ATOM 0 HE ARG A 61 0.432 -13.298 -14.009 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.053 -16.418 -13.696 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.815 -17.084 -12.626 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.152 -14.160 -12.632 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.992 -15.811 -12.026 1.00 0.00 H new ATOM 917 N LYS A 62 5.212 -10.970 -19.070 1.00 0.00 N ATOM 918 CA LYS A 62 6.172 -9.905 -19.336 1.00 0.00 C ATOM 919 C LYS A 62 5.546 -8.812 -20.197 1.00 0.00 C ATOM 920 O LYS A 62 4.919 -9.097 -21.217 1.00 0.00 O ATOM 921 CB LYS A 62 7.412 -10.470 -20.032 1.00 0.00 C ATOM 922 CG LYS A 62 8.671 -9.655 -19.787 1.00 0.00 C ATOM 923 CD LYS A 62 9.797 -10.077 -20.716 1.00 0.00 C ATOM 924 CE LYS A 62 9.780 -9.278 -22.010 1.00 0.00 C ATOM 925 NZ LYS A 62 11.059 -9.411 -22.761 1.00 0.00 N ATOM 0 H LYS A 62 4.848 -11.427 -19.906 1.00 0.00 H new ATOM 0 HA LYS A 62 6.466 -9.468 -18.382 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.578 -11.491 -19.689 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.225 -10.521 -21.105 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.455 -8.597 -19.933 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.988 -9.776 -18.751 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.755 -9.939 -20.215 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.705 -11.139 -20.942 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.955 -9.618 -22.636 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.598 -8.227 -21.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.007 -8.852 -23.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.844 -9.063 -22.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.220 -10.411 -22.998 1.00 0.00 H new ATOM 939 N GLN A 63 5.723 -7.563 -19.780 1.00 0.00 N ATOM 940 CA GLN A 63 5.176 -6.428 -20.514 1.00 0.00 C ATOM 941 C GLN A 63 5.899 -6.241 -21.845 1.00 0.00 C ATOM 942 O GLN A 63 7.097 -6.501 -21.954 1.00 0.00 O ATOM 943 CB GLN A 63 5.285 -5.152 -19.678 1.00 0.00 C ATOM 944 CG GLN A 63 4.771 -3.912 -20.391 1.00 0.00 C ATOM 945 CD GLN A 63 3.381 -4.103 -20.965 1.00 0.00 C ATOM 946 OE1 GLN A 63 2.626 -4.968 -20.520 1.00 0.00 O ATOM 947 NE2 GLN A 63 3.035 -3.294 -21.960 1.00 0.00 N ATOM 0 H GLN A 63 6.241 -7.311 -18.938 1.00 0.00 H new ATOM 0 HA GLN A 63 4.125 -6.632 -20.717 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.727 -5.286 -18.751 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.328 -4.996 -19.402 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.760 -3.075 -19.693 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.459 -3.648 -21.195 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.692 -2.591 -22.298 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.112 -3.376 -22.386 1.00 0.00 H new ATOM 956 N PHE A 64 5.163 -5.789 -22.854 1.00 0.00 N ATOM 957 CA PHE A 64 5.733 -5.568 -24.178 1.00 0.00 C ATOM 958 C PHE A 64 5.339 -4.197 -24.718 1.00 0.00 C ATOM 959 O PHE A 64 4.156 -3.880 -24.839 1.00 0.00 O ATOM 960 CB PHE A 64 5.271 -6.661 -25.144 1.00 0.00 C ATOM 961 CG PHE A 64 6.014 -7.957 -24.983 1.00 0.00 C ATOM 962 CD1 PHE A 64 7.210 -8.172 -25.648 1.00 0.00 C ATOM 963 CD2 PHE A 64 5.516 -8.959 -24.166 1.00 0.00 C ATOM 964 CE1 PHE A 64 7.895 -9.364 -25.502 1.00 0.00 C ATOM 965 CE2 PHE A 64 6.196 -10.153 -24.016 1.00 0.00 C ATOM 966 CZ PHE A 64 7.388 -10.355 -24.684 1.00 0.00 C ATOM 0 H PHE A 64 4.170 -5.568 -22.780 1.00 0.00 H new ATOM 0 HA PHE A 64 6.819 -5.606 -24.090 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.206 -6.841 -24.994 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.393 -6.306 -26.167 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.612 -7.400 -26.288 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.585 -8.805 -23.640 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.826 -9.520 -26.027 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.796 -10.927 -23.378 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.923 -11.286 -24.567 1.00 0.00 H new ATOM 976 N LYS A 65 6.341 -3.385 -25.041 1.00 0.00 N ATOM 977 CA LYS A 65 6.102 -2.047 -25.570 1.00 0.00 C ATOM 978 C LYS A 65 5.983 -2.076 -27.090 1.00 0.00 C ATOM 979 O LYS A 65 6.473 -1.181 -27.778 1.00 0.00 O ATOM 980 CB LYS A 65 7.233 -1.104 -25.154 1.00 0.00 C ATOM 981 CG LYS A 65 7.192 -0.716 -23.686 1.00 0.00 C ATOM 982 CD LYS A 65 7.926 -1.727 -22.822 1.00 0.00 C ATOM 983 CE LYS A 65 9.435 -1.580 -22.951 1.00 0.00 C ATOM 984 NZ LYS A 65 9.936 -0.367 -22.248 1.00 0.00 N ATOM 0 H LYS A 65 7.326 -3.631 -24.946 1.00 0.00 H new ATOM 0 HA LYS A 65 5.162 -1.682 -25.157 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.190 -1.580 -25.369 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.183 -0.200 -25.762 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.641 0.269 -23.556 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.155 -0.640 -23.358 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.634 -1.596 -21.780 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.632 -2.736 -23.111 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.922 -2.465 -22.541 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.706 -1.527 -24.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.975 -0.390 -22.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.626 0.484 -22.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.557 -0.346 -21.280 1.00 0.00 H new ATOM 998 N SER A 66 5.326 -3.109 -27.608 1.00 0.00 N ATOM 999 CA SER A 66 5.145 -3.255 -29.048 1.00 0.00 C ATOM 1000 C SER A 66 4.246 -4.447 -29.364 1.00 0.00 C ATOM 1001 O SER A 66 4.533 -5.578 -28.972 1.00 0.00 O ATOM 1002 CB SER A 66 6.498 -3.426 -29.740 1.00 0.00 C ATOM 1003 OG SER A 66 7.189 -4.557 -29.238 1.00 0.00 O ATOM 0 H SER A 66 4.910 -3.857 -27.053 1.00 0.00 H new ATOM 0 HA SER A 66 4.666 -2.350 -29.422 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.349 -3.534 -30.814 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.102 -2.531 -29.590 1.00 0.00 H new ATOM 0 HG SER A 66 6.543 -5.245 -28.974 1.00 0.00 H new ATOM 1009 N LYS A 67 3.155 -4.184 -30.076 1.00 0.00 N ATOM 1010 CA LYS A 67 2.213 -5.233 -30.447 1.00 0.00 C ATOM 1011 C LYS A 67 2.882 -6.277 -31.336 1.00 0.00 C ATOM 1012 O LYS A 67 2.725 -7.479 -31.124 1.00 0.00 O ATOM 1013 CB LYS A 67 1.006 -4.630 -31.171 1.00 0.00 C ATOM 1014 CG LYS A 67 -0.091 -5.638 -31.467 1.00 0.00 C ATOM 1015 CD LYS A 67 -0.784 -6.098 -30.196 1.00 0.00 C ATOM 1016 CE LYS A 67 -2.194 -6.594 -30.478 1.00 0.00 C ATOM 1017 NZ LYS A 67 -3.181 -5.480 -30.497 1.00 0.00 N ATOM 0 H LYS A 67 2.902 -3.253 -30.407 1.00 0.00 H new ATOM 0 HA LYS A 67 1.875 -5.722 -29.534 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.594 -3.825 -30.563 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.340 -4.184 -32.108 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.823 -5.193 -32.141 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.334 -6.499 -31.982 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.203 -6.895 -29.732 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.823 -5.274 -29.483 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.212 -7.111 -31.437 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.482 -7.321 -29.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.129 -5.860 -30.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.183 -5.002 -29.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.921 -4.799 -31.239 1.00 0.00 H new ATOM 1031 N ALA A 68 3.631 -5.809 -32.329 1.00 0.00 N ATOM 1032 CA ALA A 68 4.327 -6.702 -33.247 1.00 0.00 C ATOM 1033 C ALA A 68 5.371 -7.538 -32.513 1.00 0.00 C ATOM 1034 O ALA A 68 5.548 -8.720 -32.803 1.00 0.00 O ATOM 1035 CB ALA A 68 4.979 -5.905 -34.367 1.00 0.00 C ATOM 0 H ALA A 68 3.771 -4.817 -32.518 1.00 0.00 H new ATOM 0 HA ALA A 68 3.593 -7.382 -33.680 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.495 -6.585 -35.045 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.214 -5.356 -34.916 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.696 -5.202 -33.943 1.00 0.00 H new ATOM 1041 N GLY A 69 6.059 -6.915 -31.562 1.00 0.00 N ATOM 1042 CA GLY A 69 7.077 -7.617 -30.802 1.00 0.00 C ATOM 1043 C GLY A 69 6.511 -8.777 -30.007 1.00 0.00 C ATOM 1044 O GLY A 69 7.142 -9.829 -29.893 1.00 0.00 O ATOM 0 H GLY A 69 5.930 -5.937 -31.304 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.844 -7.987 -31.483 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.565 -6.918 -30.122 1.00 0.00 H new ATOM 1048 N LEU A 70 5.319 -8.585 -29.453 1.00 0.00 N ATOM 1049 CA LEU A 70 4.667 -9.623 -28.662 1.00 0.00 C ATOM 1050 C LEU A 70 4.368 -10.852 -29.516 1.00 0.00 C ATOM 1051 O LEU A 70 4.766 -11.966 -29.179 1.00 0.00 O ATOM 1052 CB LEU A 70 3.373 -9.087 -28.048 1.00 0.00 C ATOM 1053 CG LEU A 70 2.509 -10.108 -27.306 1.00 0.00 C ATOM 1054 CD1 LEU A 70 3.134 -10.463 -25.966 1.00 0.00 C ATOM 1055 CD2 LEU A 70 1.098 -9.572 -27.112 1.00 0.00 C ATOM 0 H LEU A 70 4.784 -7.720 -29.537 1.00 0.00 H new ATOM 0 HA LEU A 70 5.347 -9.916 -27.862 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.628 -8.285 -27.355 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.774 -8.643 -28.843 1.00 0.00 H new ATOM 0 HG LEU A 70 2.453 -11.014 -27.909 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.505 -11.190 -25.453 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.124 -10.889 -26.128 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.221 -9.564 -25.356 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.497 -10.312 -26.582 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.135 -8.651 -26.530 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.649 -9.369 -28.084 1.00 0.00 H new ATOM 1067 N ASN A 71 3.664 -10.639 -30.623 1.00 0.00 N ATOM 1068 CA ASN A 71 3.313 -11.728 -31.527 1.00 0.00 C ATOM 1069 C ASN A 71 4.493 -12.676 -31.721 1.00 0.00 C ATOM 1070 O ASN A 71 4.379 -13.880 -31.492 1.00 0.00 O ATOM 1071 CB ASN A 71 2.863 -11.172 -32.879 1.00 0.00 C ATOM 1072 CG ASN A 71 1.646 -10.275 -32.760 1.00 0.00 C ATOM 1073 OD1 ASN A 71 0.916 -10.329 -31.770 1.00 0.00 O ATOM 1074 ND2 ASN A 71 1.422 -9.444 -33.771 1.00 0.00 N ATOM 0 H ASN A 71 3.325 -9.722 -30.915 1.00 0.00 H new ATOM 0 HA ASN A 71 2.491 -12.287 -31.080 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.682 -10.611 -33.329 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.637 -11.999 -33.552 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.618 -8.816 -33.747 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.054 -9.433 -34.572 1.00 0.00 H new ATOM 1081 N TYR A 72 5.625 -12.124 -32.143 1.00 0.00 N ATOM 1082 CA TYR A 72 6.825 -12.919 -32.370 1.00 0.00 C ATOM 1083 C TYR A 72 7.209 -13.697 -31.115 1.00 0.00 C ATOM 1084 O TYR A 72 7.073 -14.920 -31.062 1.00 0.00 O ATOM 1085 CB TYR A 72 7.985 -12.020 -32.800 1.00 0.00 C ATOM 1086 CG TYR A 72 9.137 -12.774 -33.426 1.00 0.00 C ATOM 1087 CD1 TYR A 72 9.903 -13.658 -32.676 1.00 0.00 C ATOM 1088 CD2 TYR A 72 9.459 -12.601 -34.766 1.00 0.00 C ATOM 1089 CE1 TYR A 72 10.956 -14.349 -33.243 1.00 0.00 C ATOM 1090 CE2 TYR A 72 10.510 -13.289 -35.342 1.00 0.00 C ATOM 1091 CZ TYR A 72 11.255 -14.161 -34.576 1.00 0.00 C ATOM 1092 OH TYR A 72 12.304 -14.847 -35.146 1.00 0.00 O ATOM 0 H TYR A 72 5.736 -11.128 -32.335 1.00 0.00 H new ATOM 0 HA TYR A 72 6.612 -13.632 -33.167 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.616 -11.281 -33.511 1.00 0.00 H new ATOM 0 HB3 TYR A 72 8.350 -11.472 -31.931 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.671 -13.807 -31.632 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.878 -11.917 -35.368 1.00 0.00 H new ATOM 0 HE1 TYR A 72 11.542 -15.032 -32.646 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.747 -13.145 -36.386 1.00 0.00 H new ATOM 0 HH TYR A 72 12.380 -14.602 -36.092 1.00 0.00 H new ATOM 1102 N HIS A 73 7.688 -12.978 -30.105 1.00 0.00 N ATOM 1103 CA HIS A 73 8.091 -13.599 -28.848 1.00 0.00 C ATOM 1104 C HIS A 73 7.204 -14.798 -28.525 1.00 0.00 C ATOM 1105 O HIS A 73 7.694 -15.908 -28.315 1.00 0.00 O ATOM 1106 CB HIS A 73 8.027 -12.581 -27.708 1.00 0.00 C ATOM 1107 CG HIS A 73 7.697 -13.189 -26.380 1.00 0.00 C ATOM 1108 ND1 HIS A 73 8.658 -13.577 -25.470 1.00 0.00 N ATOM 1109 CD2 HIS A 73 6.503 -13.474 -25.808 1.00 0.00 C ATOM 1110 CE1 HIS A 73 8.070 -14.076 -24.398 1.00 0.00 C ATOM 1111 NE2 HIS A 73 6.762 -14.024 -24.577 1.00 0.00 N ATOM 0 H HIS A 73 7.807 -11.965 -30.132 1.00 0.00 H new ATOM 0 HA HIS A 73 9.118 -13.948 -28.957 1.00 0.00 H new ATOM 0 HB2 HIS A 73 8.986 -12.068 -27.635 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.279 -11.825 -27.948 1.00 0.00 H new ATOM 0 HD1 HIS A 73 9.666 -13.492 -25.604 1.00 0.00 H new ATOM 0 HD2 HIS A 73 5.528 -13.301 -26.240 1.00 0.00 H new ATOM 0 HE1 HIS A 73 8.573 -14.461 -23.523 1.00 0.00 H new ATOM 1119 N THR A 74 5.895 -14.566 -28.487 1.00 0.00 N ATOM 1120 CA THR A 74 4.940 -15.626 -28.189 1.00 0.00 C ATOM 1121 C THR A 74 5.236 -16.879 -29.005 1.00 0.00 C ATOM 1122 O THR A 74 5.446 -17.957 -28.451 1.00 0.00 O ATOM 1123 CB THR A 74 3.494 -15.174 -28.468 1.00 0.00 C ATOM 1124 OG1 THR A 74 3.217 -13.957 -27.766 1.00 0.00 O ATOM 1125 CG2 THR A 74 2.501 -16.247 -28.046 1.00 0.00 C ATOM 0 H THR A 74 5.473 -13.654 -28.659 1.00 0.00 H new ATOM 0 HA THR A 74 5.043 -15.855 -27.128 1.00 0.00 H new ATOM 0 HB THR A 74 3.389 -15.006 -29.540 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.632 -13.205 -28.238 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.487 -15.906 -28.253 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.696 -17.163 -28.604 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.608 -16.442 -26.979 1.00 0.00 H new ATOM 1133 N MET A 75 5.252 -16.729 -30.326 1.00 0.00 N ATOM 1134 CA MET A 75 5.524 -17.849 -31.219 1.00 0.00 C ATOM 1135 C MET A 75 6.926 -18.403 -30.984 1.00 0.00 C ATOM 1136 O MET A 75 7.202 -19.565 -31.281 1.00 0.00 O ATOM 1137 CB MET A 75 5.373 -17.414 -32.678 1.00 0.00 C ATOM 1138 CG MET A 75 6.579 -16.661 -33.216 1.00 0.00 C ATOM 1139 SD MET A 75 6.862 -16.964 -34.970 1.00 0.00 S ATOM 1140 CE MET A 75 6.528 -15.342 -35.652 1.00 0.00 C ATOM 0 H MET A 75 5.080 -15.843 -30.801 1.00 0.00 H new ATOM 0 HA MET A 75 4.801 -18.636 -31.005 1.00 0.00 H new ATOM 0 HB2 MET A 75 5.200 -18.296 -33.295 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.490 -16.782 -32.771 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.437 -15.592 -33.054 1.00 0.00 H new ATOM 0 HG3 MET A 75 7.466 -16.953 -32.653 1.00 0.00 H new ATOM 0 HE1 MET A 75 6.661 -15.368 -36.734 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.503 -15.054 -35.419 1.00 0.00 H new ATOM 0 HE3 MET A 75 7.216 -14.616 -35.219 1.00 0.00 H new ATOM 1150 N ALA A 76 7.807 -17.564 -30.449 1.00 0.00 N ATOM 1151 CA ALA A 76 9.179 -17.972 -30.172 1.00 0.00 C ATOM 1152 C ALA A 76 9.247 -18.877 -28.947 1.00 0.00 C ATOM 1153 O ALA A 76 9.660 -20.032 -29.041 1.00 0.00 O ATOM 1154 CB ALA A 76 10.063 -16.749 -29.977 1.00 0.00 C ATOM 0 H ALA A 76 7.595 -16.598 -30.199 1.00 0.00 H new ATOM 0 HA ALA A 76 9.544 -18.538 -31.029 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.085 -17.068 -29.771 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.048 -16.141 -30.882 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.690 -16.161 -29.139 1.00 0.00 H new ATOM 1160 N GLU A 77 8.839 -18.344 -27.800 1.00 0.00 N ATOM 1161 CA GLU A 77 8.856 -19.105 -26.556 1.00 0.00 C ATOM 1162 C GLU A 77 7.586 -19.938 -26.411 1.00 0.00 C ATOM 1163 O GLU A 77 7.625 -21.167 -26.482 1.00 0.00 O ATOM 1164 CB GLU A 77 9.001 -18.163 -25.358 1.00 0.00 C ATOM 1165 CG GLU A 77 10.445 -17.870 -24.986 1.00 0.00 C ATOM 1166 CD GLU A 77 11.314 -19.112 -24.994 1.00 0.00 C ATOM 1167 OE1 GLU A 77 11.170 -19.943 -24.073 1.00 0.00 O ATOM 1168 OE2 GLU A 77 12.138 -19.254 -25.922 1.00 0.00 O ATOM 0 H GLU A 77 8.493 -17.389 -27.706 1.00 0.00 H new ATOM 0 HA GLU A 77 9.711 -19.780 -26.584 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.494 -17.224 -25.581 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.495 -18.602 -24.498 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.855 -17.140 -25.684 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.476 -17.416 -23.995 1.00 0.00 H new ATOM 1175 N HIS A 78 6.461 -19.261 -26.207 1.00 0.00 N ATOM 1176 CA HIS A 78 5.178 -19.938 -26.052 1.00 0.00 C ATOM 1177 C HIS A 78 4.588 -20.302 -27.411 1.00 0.00 C ATOM 1178 O HIS A 78 3.711 -19.607 -27.924 1.00 0.00 O ATOM 1179 CB HIS A 78 4.200 -19.052 -25.279 1.00 0.00 C ATOM 1180 CG HIS A 78 4.857 -18.205 -24.233 1.00 0.00 C ATOM 1181 ND1 HIS A 78 5.914 -18.644 -23.464 1.00 0.00 N ATOM 1182 CD2 HIS A 78 4.603 -16.938 -23.831 1.00 0.00 C ATOM 1183 CE1 HIS A 78 6.280 -17.684 -22.633 1.00 0.00 C ATOM 1184 NE2 HIS A 78 5.500 -16.638 -22.836 1.00 0.00 N ATOM 0 H HIS A 78 6.411 -18.244 -26.145 1.00 0.00 H new ATOM 0 HA HIS A 78 5.346 -20.857 -25.491 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.675 -18.405 -25.982 1.00 0.00 H new ATOM 0 HB3 HIS A 78 3.448 -19.683 -24.805 1.00 0.00 H new ATOM 0 HD1 HIS A 78 6.346 -19.566 -23.527 1.00 0.00 H new ATOM 0 HD2 HIS A 78 3.837 -16.284 -24.221 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.081 -17.745 -21.911 1.00 0.00 H new