USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 75 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.013) USER MOD Set 2.1: A 37 GLN : amide:sc=-0.00742 X(o=-0.81,f=-0.93) USER MOD Set 2.2: A 60 MET CE :methyl 154:sc= -0.804 (180deg=-1.49) USER MOD Set 3.1: A 20 THR OG1 : rot -25:sc= 0.319 USER MOD Set 3.2: A 23 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 89 SER OG : rot -142:sc= -0.296 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 27 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.045) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0141 F(o=-0.75,f=-0.014) USER MOD Single : A 33 LYS NZ :NH3+ -101:sc= -0.223 (180deg=-1.6!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.476 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -142:sc= -0.994 (180deg=-2.91!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.0427 X(o=-0.043,f=-0.043) USER MOD Single : A 56 TYR OH : rot -99:sc= 0.0332 USER MOD Single : A 63 SER OG : rot 41:sc= 0.163 USER MOD Single : A 66 LYS NZ :NH3+ -158:sc= 1.34 (180deg=0.856) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 103:sc= 0.00101 USER MOD Single : A 87 MET CE :methyl -136:sc= -0.436 (180deg=-3.85!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 20 -8.237 -2.536 10.259 1.00 0.00 N ATOM 2 CA THR A 20 -8.112 -1.444 11.244 1.00 0.00 C ATOM 3 C THR A 20 -9.502 -0.986 11.707 1.00 0.00 C ATOM 4 O THR A 20 -10.446 -0.922 10.909 1.00 0.00 O ATOM 5 CB THR A 20 -7.297 -0.239 10.651 1.00 0.00 C ATOM 6 OG1 THR A 20 -7.879 0.184 9.401 1.00 0.00 O ATOM 7 CG2 THR A 20 -5.817 -0.608 10.429 1.00 0.00 C ATOM 0 HA THR A 20 -7.564 -1.822 12.107 1.00 0.00 H new ATOM 0 HB THR A 20 -7.340 0.575 11.374 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.362 -0.566 8.995 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.286 0.250 10.018 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.366 -0.892 11.380 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.751 -1.443 9.732 1.00 0.00 H new ATOM 15 N GLU A 21 -9.614 -0.687 13.014 1.00 0.00 N ATOM 16 CA GLU A 21 -10.868 -0.236 13.654 1.00 0.00 C ATOM 17 C GLU A 21 -10.841 1.292 13.799 1.00 0.00 C ATOM 18 O GLU A 21 -11.860 1.965 13.638 1.00 0.00 O ATOM 19 CB GLU A 21 -11.037 -0.951 15.029 1.00 0.00 C ATOM 20 CG GLU A 21 -9.806 -0.865 15.965 1.00 0.00 C ATOM 21 CD GLU A 21 -9.935 -1.709 17.246 1.00 0.00 C ATOM 22 OE1 GLU A 21 -9.920 -2.955 17.150 1.00 0.00 O ATOM 23 OE2 GLU A 21 -10.034 -1.132 18.355 1.00 0.00 O ATOM 0 H GLU A 21 -8.830 -0.752 13.664 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.727 -0.499 13.037 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.896 -0.520 15.543 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.266 -2.001 14.850 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.922 -1.189 15.416 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.645 0.177 16.243 1.00 0.00 H new ATOM 30 N THR A 22 -9.648 1.820 14.098 1.00 0.00 N ATOM 31 CA THR A 22 -9.351 3.256 14.066 1.00 0.00 C ATOM 32 C THR A 22 -8.395 3.511 12.880 1.00 0.00 C ATOM 33 O THR A 22 -7.343 2.870 12.781 1.00 0.00 O ATOM 34 CB THR A 22 -8.749 3.766 15.424 1.00 0.00 C ATOM 35 OG1 THR A 22 -8.470 5.174 15.338 1.00 0.00 O ATOM 36 CG2 THR A 22 -7.476 2.998 15.861 1.00 0.00 C ATOM 0 H THR A 22 -8.848 1.250 14.374 1.00 0.00 H new ATOM 0 HA THR A 22 -10.273 3.820 13.929 1.00 0.00 H new ATOM 0 HB THR A 22 -9.502 3.577 16.189 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.096 5.486 16.189 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.114 3.402 16.806 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.713 1.941 15.985 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.704 3.110 15.099 1.00 0.00 H new ATOM 44 N SER A 23 -8.805 4.374 11.934 1.00 0.00 N ATOM 45 CA SER A 23 -8.033 4.641 10.705 1.00 0.00 C ATOM 46 C SER A 23 -6.892 5.667 10.930 1.00 0.00 C ATOM 47 O SER A 23 -6.970 6.813 10.479 1.00 0.00 O ATOM 48 CB SER A 23 -8.988 5.098 9.570 1.00 0.00 C ATOM 49 OG SER A 23 -9.892 4.066 9.209 1.00 0.00 O ATOM 0 H SER A 23 -9.675 4.903 11.998 1.00 0.00 H new ATOM 0 HA SER A 23 -7.549 3.710 10.409 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.546 5.976 9.894 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.404 5.394 8.698 1.00 0.00 H new ATOM 0 HG SER A 23 -10.482 4.383 8.494 1.00 0.00 H new ATOM 55 N GLN A 24 -5.845 5.251 11.673 1.00 0.00 N ATOM 56 CA GLN A 24 -4.538 5.941 11.661 1.00 0.00 C ATOM 57 C GLN A 24 -3.794 5.487 10.394 1.00 0.00 C ATOM 58 O GLN A 24 -3.099 6.262 9.732 1.00 0.00 O ATOM 59 CB GLN A 24 -3.703 5.627 12.935 1.00 0.00 C ATOM 60 CG GLN A 24 -2.389 6.441 13.044 1.00 0.00 C ATOM 61 CD GLN A 24 -1.508 6.037 14.231 1.00 0.00 C ATOM 62 OE1 GLN A 24 -0.644 5.171 14.110 1.00 0.00 O ATOM 63 NE2 GLN A 24 -1.718 6.663 15.377 1.00 0.00 N ATOM 0 H GLN A 24 -5.880 4.439 12.290 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.691 7.020 11.657 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.315 5.824 13.815 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.462 4.564 12.946 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.819 6.319 12.123 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.634 7.500 13.129 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.444 7.377 15.443 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.154 6.432 16.195 1.00 0.00 H new ATOM 72 N GLN A 25 -3.952 4.193 10.092 1.00 0.00 N ATOM 73 CA GLN A 25 -3.503 3.582 8.841 1.00 0.00 C ATOM 74 C GLN A 25 -4.696 2.875 8.161 1.00 0.00 C ATOM 75 O GLN A 25 -5.646 2.434 8.829 1.00 0.00 O ATOM 76 CB GLN A 25 -2.339 2.595 9.114 1.00 0.00 C ATOM 77 CG GLN A 25 -2.692 1.453 10.081 1.00 0.00 C ATOM 78 CD GLN A 25 -1.523 0.529 10.429 1.00 0.00 C ATOM 79 OE1 GLN A 25 -0.594 0.350 9.640 1.00 0.00 O ATOM 80 NE2 GLN A 25 -1.558 -0.057 11.618 1.00 0.00 N ATOM 0 H GLN A 25 -4.404 3.531 10.723 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.129 4.353 8.168 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.012 2.166 8.167 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.494 3.151 9.520 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.085 1.883 11.002 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.491 0.856 9.642 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.342 0.113 12.247 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.800 -0.678 11.903 1.00 0.00 H new ATOM 89 N LEU A 26 -4.633 2.796 6.832 1.00 0.00 N ATOM 90 CA LEU A 26 -5.651 2.175 5.979 1.00 0.00 C ATOM 91 C LEU A 26 -5.098 0.841 5.445 1.00 0.00 C ATOM 92 O LEU A 26 -3.941 0.788 5.009 1.00 0.00 O ATOM 93 CB LEU A 26 -5.981 3.130 4.795 1.00 0.00 C ATOM 94 CG LEU A 26 -6.302 4.613 5.174 1.00 0.00 C ATOM 95 CD1 LEU A 26 -6.524 5.476 3.919 1.00 0.00 C ATOM 96 CD2 LEU A 26 -7.506 4.709 6.135 1.00 0.00 C ATOM 0 H LEU A 26 -3.848 3.174 6.301 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.562 1.990 6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.136 3.127 4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.834 2.722 4.253 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.432 5.007 5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.745 6.501 4.217 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.624 5.463 3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.361 5.076 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.698 5.755 6.375 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.387 4.279 5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.285 4.161 7.051 1.00 0.00 H new ATOM 108 N GLN A 27 -5.915 -0.227 5.486 1.00 0.00 N ATOM 109 CA GLN A 27 -5.516 -1.543 4.945 1.00 0.00 C ATOM 110 C GLN A 27 -5.767 -1.555 3.431 1.00 0.00 C ATOM 111 O GLN A 27 -6.899 -1.716 2.981 1.00 0.00 O ATOM 112 CB GLN A 27 -6.306 -2.678 5.647 1.00 0.00 C ATOM 113 CG GLN A 27 -6.073 -2.772 7.167 1.00 0.00 C ATOM 114 CD GLN A 27 -6.762 -3.976 7.826 1.00 0.00 C ATOM 115 OE1 GLN A 27 -6.265 -4.523 8.808 1.00 0.00 O ATOM 116 NE2 GLN A 27 -7.931 -4.368 7.336 1.00 0.00 N ATOM 0 H GLN A 27 -6.853 -0.207 5.886 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.456 -1.713 5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.370 -2.530 5.464 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.033 -3.630 5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.001 -2.829 7.358 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.433 -1.857 7.638 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.325 -3.900 6.520 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.436 -5.138 7.775 1.00 0.00 H new ATOM 125 N LEU A 28 -4.702 -1.377 2.650 1.00 0.00 N ATOM 126 CA LEU A 28 -4.801 -1.166 1.199 1.00 0.00 C ATOM 127 C LEU A 28 -4.264 -2.374 0.425 1.00 0.00 C ATOM 128 O LEU A 28 -3.121 -2.797 0.620 1.00 0.00 O ATOM 129 CB LEU A 28 -4.038 0.132 0.831 1.00 0.00 C ATOM 130 CG LEU A 28 -4.569 1.422 1.542 1.00 0.00 C ATOM 131 CD1 LEU A 28 -3.738 2.661 1.181 1.00 0.00 C ATOM 132 CD2 LEU A 28 -6.067 1.649 1.238 1.00 0.00 C ATOM 0 H LEU A 28 -3.745 -1.374 3.002 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.848 -1.057 0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.985 0.002 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.094 0.278 -0.248 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.461 1.264 2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.142 3.533 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.703 2.506 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.778 2.825 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.408 2.552 1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.207 1.761 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.644 0.794 1.592 1.00 0.00 H new ATOM 144 N ARG A 29 -5.114 -2.925 -0.450 1.00 0.00 N ATOM 145 CA ARG A 29 -4.737 -4.018 -1.347 1.00 0.00 C ATOM 146 C ARG A 29 -4.145 -3.431 -2.637 1.00 0.00 C ATOM 147 O ARG A 29 -4.648 -2.444 -3.173 1.00 0.00 O ATOM 148 CB ARG A 29 -5.957 -4.917 -1.677 1.00 0.00 C ATOM 149 CG ARG A 29 -6.527 -5.706 -0.472 1.00 0.00 C ATOM 150 CD ARG A 29 -7.706 -6.602 -0.897 1.00 0.00 C ATOM 151 NE ARG A 29 -8.249 -7.434 0.198 1.00 0.00 N ATOM 152 CZ ARG A 29 -9.424 -8.089 0.141 1.00 0.00 C ATOM 153 NH1 ARG A 29 -10.258 -7.895 -0.882 1.00 0.00 N ATOM 154 NH2 ARG A 29 -9.778 -8.905 1.125 1.00 0.00 N ATOM 0 H ARG A 29 -6.083 -2.623 -0.554 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.992 -4.639 -0.850 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.749 -4.293 -2.092 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.669 -5.625 -2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.741 -6.320 -0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.856 -5.009 0.299 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.504 -5.973 -1.293 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.381 -7.253 -1.709 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.698 -7.517 1.052 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.007 -7.247 -1.628 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.146 -8.395 -0.918 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.160 -9.037 1.926 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.668 -9.401 1.081 1.00 0.00 H new ATOM 168 N VAL A 30 -3.074 -4.059 -3.099 1.00 0.00 N ATOM 169 CA VAL A 30 -2.342 -3.699 -4.318 1.00 0.00 C ATOM 170 C VAL A 30 -2.238 -4.951 -5.199 1.00 0.00 C ATOM 171 O VAL A 30 -1.748 -5.992 -4.750 1.00 0.00 O ATOM 172 CB VAL A 30 -0.903 -3.094 -4.000 1.00 0.00 C ATOM 173 CG1 VAL A 30 -0.940 -1.555 -3.951 1.00 0.00 C ATOM 174 CG2 VAL A 30 -0.318 -3.647 -2.674 1.00 0.00 C ATOM 0 H VAL A 30 -2.671 -4.865 -2.621 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.886 -2.914 -4.844 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.250 -3.406 -4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.057 -1.174 -3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.273 -1.168 -4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.631 -1.232 -3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.664 -3.207 -2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.983 -3.392 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.223 -4.731 -2.742 1.00 0.00 H new ATOM 184 N GLN A 31 -2.708 -4.847 -6.454 1.00 0.00 N ATOM 185 CA GLN A 31 -2.768 -5.986 -7.394 1.00 0.00 C ATOM 186 C GLN A 31 -1.984 -5.636 -8.655 1.00 0.00 C ATOM 187 O GLN A 31 -2.222 -4.579 -9.254 1.00 0.00 O ATOM 188 CB GLN A 31 -4.227 -6.344 -7.767 1.00 0.00 C ATOM 189 CG GLN A 31 -5.076 -6.894 -6.606 1.00 0.00 C ATOM 190 CD GLN A 31 -6.486 -7.342 -7.016 1.00 0.00 C ATOM 191 OE1 GLN A 31 -6.643 -7.849 -8.237 1.00 0.00 O flip ATOM 192 NE2 GLN A 31 -7.427 -7.264 -6.223 1.00 0.00 N flip ATOM 0 H GLN A 31 -3.057 -3.973 -6.848 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.329 -6.856 -6.906 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.714 -5.453 -8.164 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.211 -7.083 -8.568 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.554 -7.739 -6.158 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.160 -6.127 -5.836 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.279 -6.871 -5.293 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.353 -7.592 -6.497 1.00 0.00 H new ATOM 201 N GLY A 32 -1.071 -6.532 -9.060 1.00 0.00 N ATOM 202 CA GLY A 32 -0.193 -6.282 -10.205 1.00 0.00 C ATOM 203 C GLY A 32 -0.868 -6.400 -11.562 1.00 0.00 C ATOM 204 O GLY A 32 -2.053 -6.740 -11.666 1.00 0.00 O ATOM 0 H GLY A 32 -0.924 -7.435 -8.609 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.229 -5.281 -10.110 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.640 -6.984 -10.167 1.00 0.00 H new ATOM 208 N LYS A 33 -0.104 -6.024 -12.609 1.00 0.00 N ATOM 209 CA LYS A 33 -0.309 -6.452 -14.008 1.00 0.00 C ATOM 210 C LYS A 33 -0.801 -7.912 -14.112 1.00 0.00 C ATOM 211 O LYS A 33 -1.654 -8.237 -14.940 1.00 0.00 O ATOM 212 CB LYS A 33 1.045 -6.239 -14.751 1.00 0.00 C ATOM 213 CG LYS A 33 2.272 -6.836 -14.005 1.00 0.00 C ATOM 214 CD LYS A 33 3.645 -6.567 -14.675 1.00 0.00 C ATOM 215 CE LYS A 33 3.866 -7.330 -15.996 1.00 0.00 C ATOM 216 NZ LYS A 33 3.131 -6.744 -17.146 1.00 0.00 N ATOM 0 H LYS A 33 0.694 -5.398 -12.501 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.097 -5.858 -14.470 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.980 -6.689 -15.742 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.205 -5.171 -14.896 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.294 -6.432 -12.993 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.134 -7.913 -13.915 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.740 -5.498 -14.866 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.436 -6.837 -13.976 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.932 -7.344 -16.225 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.554 -8.366 -15.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.272 -7.301 -17.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.867 -5.763 -16.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.739 -6.758 -17.990 1.00 0.00 H new ATOM 230 N GLU A 34 -0.235 -8.771 -13.262 1.00 0.00 N ATOM 231 CA GLU A 34 -0.766 -10.100 -13.005 1.00 0.00 C ATOM 232 C GLU A 34 -1.900 -9.913 -11.979 1.00 0.00 C ATOM 233 O GLU A 34 -1.628 -9.716 -10.797 1.00 0.00 O ATOM 234 CB GLU A 34 0.357 -11.033 -12.460 1.00 0.00 C ATOM 235 CG GLU A 34 1.711 -10.948 -13.207 1.00 0.00 C ATOM 236 CD GLU A 34 1.599 -11.129 -14.733 1.00 0.00 C ATOM 237 OE1 GLU A 34 1.469 -12.283 -15.200 1.00 0.00 O ATOM 238 OE2 GLU A 34 1.651 -10.121 -15.475 1.00 0.00 O ATOM 0 H GLU A 34 0.610 -8.557 -12.732 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.144 -10.572 -13.912 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.525 -10.796 -11.410 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.002 -12.063 -12.501 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.169 -9.981 -12.999 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.382 -11.710 -12.810 1.00 0.00 H new ATOM 245 N LYS A 35 -3.159 -9.886 -12.450 1.00 0.00 N ATOM 246 CA LYS A 35 -4.332 -9.535 -11.603 1.00 0.00 C ATOM 247 C LYS A 35 -4.619 -10.606 -10.525 1.00 0.00 C ATOM 248 O LYS A 35 -5.251 -10.316 -9.499 1.00 0.00 O ATOM 249 CB LYS A 35 -5.577 -9.274 -12.493 1.00 0.00 C ATOM 250 CG LYS A 35 -5.988 -10.446 -13.419 1.00 0.00 C ATOM 251 CD LYS A 35 -7.155 -10.087 -14.378 1.00 0.00 C ATOM 252 CE LYS A 35 -6.816 -8.903 -15.303 1.00 0.00 C ATOM 253 NZ LYS A 35 -7.896 -8.610 -16.275 1.00 0.00 N ATOM 0 H LYS A 35 -3.400 -10.103 -13.417 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.091 -8.618 -11.066 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.420 -9.031 -11.847 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.384 -8.396 -13.110 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.124 -10.755 -14.008 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.279 -11.300 -12.807 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.404 -10.958 -14.984 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.041 -9.844 -13.792 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.627 -8.017 -14.698 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.895 -9.122 -15.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.617 -7.806 -16.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.061 -9.445 -16.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.770 -8.374 -15.763 1.00 0.00 H new ATOM 267 N HIS A 36 -4.138 -11.839 -10.780 1.00 0.00 N ATOM 268 CA HIS A 36 -4.170 -12.953 -9.810 1.00 0.00 C ATOM 269 C HIS A 36 -3.178 -12.691 -8.649 1.00 0.00 C ATOM 270 O HIS A 36 -3.388 -13.161 -7.521 1.00 0.00 O ATOM 271 CB HIS A 36 -3.848 -14.286 -10.539 1.00 0.00 C ATOM 272 CG HIS A 36 -3.796 -15.496 -9.647 1.00 0.00 C ATOM 273 ND1 HIS A 36 -2.633 -16.196 -9.394 1.00 0.00 N ATOM 274 CD2 HIS A 36 -4.771 -16.130 -8.952 1.00 0.00 C ATOM 275 CE1 HIS A 36 -2.895 -17.203 -8.587 1.00 0.00 C ATOM 276 NE2 HIS A 36 -4.183 -17.184 -8.303 1.00 0.00 N ATOM 0 H HIS A 36 -3.713 -12.092 -11.672 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.168 -13.027 -9.378 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.600 -14.453 -11.310 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -2.888 -14.184 -11.046 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.815 -15.856 -8.916 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -2.178 -17.922 -8.220 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.665 -17.848 -7.697 1.00 0.00 H new ATOM 285 N GLN A 37 -2.096 -11.939 -8.946 1.00 0.00 N ATOM 286 CA GLN A 37 -1.132 -11.479 -7.934 1.00 0.00 C ATOM 287 C GLN A 37 -1.779 -10.383 -7.074 1.00 0.00 C ATOM 288 O GLN A 37 -2.092 -9.292 -7.568 1.00 0.00 O ATOM 289 CB GLN A 37 0.175 -10.952 -8.599 1.00 0.00 C ATOM 290 CG GLN A 37 1.248 -10.425 -7.623 1.00 0.00 C ATOM 291 CD GLN A 37 1.762 -11.490 -6.643 1.00 0.00 C ATOM 292 OE1 GLN A 37 1.227 -11.658 -5.542 1.00 0.00 O ATOM 293 NE2 GLN A 37 2.802 -12.212 -7.036 1.00 0.00 N ATOM 0 H GLN A 37 -1.870 -11.636 -9.894 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.861 -12.323 -7.300 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.611 -11.756 -9.192 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.087 -10.152 -9.291 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.089 -10.035 -8.196 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.834 -9.591 -7.056 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.220 -12.048 -7.952 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.184 -12.932 -6.423 1.00 0.00 H new ATOM 302 N THR A 38 -2.005 -10.705 -5.797 1.00 0.00 N ATOM 303 CA THR A 38 -2.583 -9.785 -4.817 1.00 0.00 C ATOM 304 C THR A 38 -1.674 -9.744 -3.575 1.00 0.00 C ATOM 305 O THR A 38 -1.335 -10.783 -2.994 1.00 0.00 O ATOM 306 CB THR A 38 -4.047 -10.207 -4.433 1.00 0.00 C ATOM 307 OG1 THR A 38 -4.841 -10.331 -5.631 1.00 0.00 O ATOM 308 CG2 THR A 38 -4.718 -9.191 -3.478 1.00 0.00 C ATOM 0 H THR A 38 -1.788 -11.624 -5.411 1.00 0.00 H new ATOM 0 HA THR A 38 -2.644 -8.788 -5.254 1.00 0.00 H new ATOM 0 HB THR A 38 -3.987 -11.162 -3.912 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.754 -10.596 -5.392 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.728 -9.526 -3.241 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.136 -9.116 -2.559 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.763 -8.214 -3.960 1.00 0.00 H new ATOM 316 N LEU A 39 -1.282 -8.527 -3.205 1.00 0.00 N ATOM 317 CA LEU A 39 -0.410 -8.231 -2.059 1.00 0.00 C ATOM 318 C LEU A 39 -1.157 -7.172 -1.250 1.00 0.00 C ATOM 319 O LEU A 39 -1.750 -6.281 -1.840 1.00 0.00 O ATOM 320 CB LEU A 39 0.971 -7.714 -2.592 1.00 0.00 C ATOM 321 CG LEU A 39 2.215 -7.668 -1.623 1.00 0.00 C ATOM 322 CD1 LEU A 39 2.190 -6.481 -0.638 1.00 0.00 C ATOM 323 CD2 LEU A 39 2.407 -9.011 -0.887 1.00 0.00 C ATOM 0 H LEU A 39 -1.570 -7.688 -3.709 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.197 -9.099 -1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.245 -8.336 -3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.816 -6.704 -2.971 1.00 0.00 H new ATOM 0 HG LEU A 39 3.082 -7.502 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.076 -6.515 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.179 -5.545 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.297 -6.543 -0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.273 -8.944 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.518 -9.233 -0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.566 -9.806 -1.616 1.00 0.00 H new ATOM 335 N GLU A 40 -1.196 -7.280 0.076 1.00 0.00 N ATOM 336 CA GLU A 40 -1.928 -6.307 0.911 1.00 0.00 C ATOM 337 C GLU A 40 -0.994 -5.712 1.979 1.00 0.00 C ATOM 338 O GLU A 40 -0.294 -6.429 2.701 1.00 0.00 O ATOM 339 CB GLU A 40 -3.183 -6.974 1.533 1.00 0.00 C ATOM 340 CG GLU A 40 -2.873 -8.114 2.514 1.00 0.00 C ATOM 341 CD GLU A 40 -4.125 -8.708 3.167 1.00 0.00 C ATOM 342 OE1 GLU A 40 -4.569 -8.178 4.208 1.00 0.00 O ATOM 343 OE2 GLU A 40 -4.685 -9.697 2.633 1.00 0.00 O ATOM 0 H GLU A 40 -0.735 -8.023 0.601 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.273 -5.482 0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.765 -6.212 2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.809 -7.362 0.730 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.338 -8.903 1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.207 -7.743 3.293 1.00 0.00 H new ATOM 350 N VAL A 41 -0.971 -4.381 2.034 1.00 0.00 N ATOM 351 CA VAL A 41 -0.115 -3.600 2.941 1.00 0.00 C ATOM 352 C VAL A 41 -0.933 -2.483 3.618 1.00 0.00 C ATOM 353 O VAL A 41 -1.822 -1.887 3.005 1.00 0.00 O ATOM 354 CB VAL A 41 1.128 -3.007 2.156 1.00 0.00 C ATOM 355 CG1 VAL A 41 0.705 -2.385 0.804 1.00 0.00 C ATOM 356 CG2 VAL A 41 1.928 -1.988 3.014 1.00 0.00 C ATOM 0 H VAL A 41 -1.558 -3.798 1.438 1.00 0.00 H new ATOM 0 HA VAL A 41 0.266 -4.259 3.721 1.00 0.00 H new ATOM 0 HB VAL A 41 1.793 -3.844 1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.584 -1.989 0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.239 -3.149 0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.006 -1.578 0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.770 -1.608 2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.278 -1.160 3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.298 -2.481 3.913 1.00 0.00 H new ATOM 366 N SER A 42 -0.603 -2.205 4.892 1.00 0.00 N ATOM 367 CA SER A 42 -1.267 -1.155 5.668 1.00 0.00 C ATOM 368 C SER A 42 -0.444 0.141 5.545 1.00 0.00 C ATOM 369 O SER A 42 0.657 0.255 6.101 1.00 0.00 O ATOM 370 CB SER A 42 -1.409 -1.611 7.133 1.00 0.00 C ATOM 371 OG SER A 42 -2.111 -2.848 7.210 1.00 0.00 O ATOM 0 H SER A 42 0.126 -2.700 5.405 1.00 0.00 H new ATOM 0 HA SER A 42 -2.270 -0.963 5.286 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.422 -1.719 7.583 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.939 -0.850 7.706 1.00 0.00 H new ATOM 0 HG SER A 42 -2.189 -3.122 8.148 1.00 0.00 H new ATOM 377 N LEU A 43 -0.990 1.092 4.776 1.00 0.00 N ATOM 378 CA LEU A 43 -0.380 2.419 4.548 1.00 0.00 C ATOM 379 C LEU A 43 -0.932 3.428 5.554 1.00 0.00 C ATOM 380 O LEU A 43 -2.137 3.500 5.744 1.00 0.00 O ATOM 381 CB LEU A 43 -0.657 2.912 3.103 1.00 0.00 C ATOM 382 CG LEU A 43 -0.198 4.371 2.760 1.00 0.00 C ATOM 383 CD1 LEU A 43 1.302 4.568 3.018 1.00 0.00 C ATOM 384 CD2 LEU A 43 -0.557 4.752 1.311 1.00 0.00 C ATOM 0 H LEU A 43 -1.876 0.966 4.287 1.00 0.00 H new ATOM 0 HA LEU A 43 0.698 2.328 4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.167 2.229 2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.729 2.839 2.918 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.742 5.040 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.583 5.591 2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.518 4.378 4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.872 3.875 2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.224 5.770 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.065 4.066 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.637 4.690 1.175 1.00 0.00 H new ATOM 396 N SER A 44 -0.044 4.237 6.148 1.00 0.00 N ATOM 397 CA SER A 44 -0.433 5.261 7.125 1.00 0.00 C ATOM 398 C SER A 44 -1.023 6.479 6.382 1.00 0.00 C ATOM 399 O SER A 44 -0.528 6.846 5.316 1.00 0.00 O ATOM 400 CB SER A 44 0.793 5.652 7.966 1.00 0.00 C ATOM 401 OG SER A 44 1.388 4.510 8.561 1.00 0.00 O ATOM 0 H SER A 44 0.959 4.200 5.966 1.00 0.00 H new ATOM 0 HA SER A 44 -1.197 4.873 7.799 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.523 6.160 7.336 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.496 6.357 8.742 1.00 0.00 H new ATOM 0 HG SER A 44 2.167 4.784 9.089 1.00 0.00 H new ATOM 407 N ARG A 45 -2.081 7.091 6.951 1.00 0.00 N ATOM 408 CA ARG A 45 -2.846 8.174 6.283 1.00 0.00 C ATOM 409 C ARG A 45 -1.989 9.438 6.020 1.00 0.00 C ATOM 410 O ARG A 45 -2.274 10.205 5.088 1.00 0.00 O ATOM 411 CB ARG A 45 -4.116 8.532 7.102 1.00 0.00 C ATOM 412 CG ARG A 45 -3.842 9.159 8.491 1.00 0.00 C ATOM 413 CD ARG A 45 -5.126 9.368 9.312 1.00 0.00 C ATOM 414 NE ARG A 45 -6.057 10.314 8.662 1.00 0.00 N ATOM 415 CZ ARG A 45 -7.390 10.164 8.569 1.00 0.00 C ATOM 416 NH1 ARG A 45 -7.990 9.064 9.005 1.00 0.00 N ATOM 417 NH2 ARG A 45 -8.113 11.120 8.019 1.00 0.00 N ATOM 0 H ARG A 45 -2.431 6.854 7.879 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.148 7.792 5.308 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.722 9.226 6.520 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.709 7.628 7.239 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.161 8.515 9.047 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.340 10.117 8.360 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.625 8.409 9.453 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.865 9.741 10.303 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.653 11.154 8.248 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.439 8.313 9.420 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.002 8.970 8.925 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.660 11.964 7.669 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.125 11.015 7.944 1.00 0.00 H new ATOM 431 N ASP A 46 -0.941 9.633 6.843 1.00 0.00 N ATOM 432 CA ASP A 46 -0.023 10.793 6.748 1.00 0.00 C ATOM 433 C ASP A 46 1.218 10.438 5.891 1.00 0.00 C ATOM 434 O ASP A 46 1.943 11.331 5.432 1.00 0.00 O ATOM 435 CB ASP A 46 0.390 11.243 8.179 1.00 0.00 C ATOM 436 CG ASP A 46 1.295 12.493 8.204 1.00 0.00 C ATOM 437 OD1 ASP A 46 0.785 13.607 7.953 1.00 0.00 O ATOM 438 OD2 ASP A 46 2.519 12.367 8.455 1.00 0.00 O ATOM 0 H ASP A 46 -0.703 8.989 7.597 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.535 11.620 6.255 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.510 11.446 8.759 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.909 10.421 8.672 1.00 0.00 H new ATOM 443 N SER A 47 1.441 9.129 5.669 1.00 0.00 N ATOM 444 CA SER A 47 2.537 8.627 4.832 1.00 0.00 C ATOM 445 C SER A 47 2.045 8.537 3.368 1.00 0.00 C ATOM 446 O SER A 47 0.939 8.037 3.122 1.00 0.00 O ATOM 447 CB SER A 47 3.009 7.240 5.341 1.00 0.00 C ATOM 448 OG SER A 47 3.451 7.313 6.690 1.00 0.00 O ATOM 0 H SER A 47 0.862 8.391 6.068 1.00 0.00 H new ATOM 0 HA SER A 47 3.386 9.308 4.885 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.192 6.523 5.261 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.818 6.873 4.709 1.00 0.00 H new ATOM 0 HG SER A 47 3.742 6.426 6.988 1.00 0.00 H new ATOM 454 N PRO A 48 2.839 9.046 2.376 1.00 0.00 N ATOM 455 CA PRO A 48 2.452 9.008 0.955 1.00 0.00 C ATOM 456 C PRO A 48 2.449 7.595 0.364 1.00 0.00 C ATOM 457 O PRO A 48 3.038 6.666 0.914 1.00 0.00 O ATOM 458 CB PRO A 48 3.483 9.915 0.218 1.00 0.00 C ATOM 459 CG PRO A 48 4.475 10.370 1.248 1.00 0.00 C ATOM 460 CD PRO A 48 4.140 9.702 2.575 1.00 0.00 C ATOM 0 HA PRO A 48 1.426 9.358 0.837 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.980 9.365 -0.581 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.986 10.768 -0.244 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.487 10.110 0.939 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.442 11.455 1.352 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.905 8.977 2.852 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.089 10.435 3.380 1.00 0.00 H new ATOM 468 N LEU A 49 1.787 7.489 -0.785 1.00 0.00 N ATOM 469 CA LEU A 49 1.668 6.267 -1.579 1.00 0.00 C ATOM 470 C LEU A 49 3.039 5.704 -1.970 1.00 0.00 C ATOM 471 O LEU A 49 3.149 4.508 -2.156 1.00 0.00 O ATOM 472 CB LEU A 49 0.770 6.540 -2.838 1.00 0.00 C ATOM 473 CG LEU A 49 -0.774 6.393 -2.633 1.00 0.00 C ATOM 474 CD1 LEU A 49 -1.160 4.914 -2.436 1.00 0.00 C ATOM 475 CD2 LEU A 49 -1.287 7.257 -1.467 1.00 0.00 C ATOM 0 H LEU A 49 1.300 8.281 -1.205 1.00 0.00 H new ATOM 0 HA LEU A 49 1.187 5.503 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.974 7.551 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.076 5.858 -3.631 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.258 6.758 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.238 4.835 -2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.866 4.341 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.649 4.519 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.364 7.123 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.792 6.954 -0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.070 8.306 -1.668 1.00 0.00 H new ATOM 487 N LYS A 50 4.076 6.564 -2.060 1.00 0.00 N ATOM 488 CA LYS A 50 5.438 6.146 -2.451 1.00 0.00 C ATOM 489 C LYS A 50 6.029 5.069 -1.510 1.00 0.00 C ATOM 490 O LYS A 50 6.750 4.177 -1.972 1.00 0.00 O ATOM 491 CB LYS A 50 6.390 7.368 -2.524 1.00 0.00 C ATOM 492 CG LYS A 50 6.678 8.068 -1.173 1.00 0.00 C ATOM 493 CD LYS A 50 7.812 9.116 -1.266 1.00 0.00 C ATOM 494 CE LYS A 50 8.160 9.738 0.103 1.00 0.00 C ATOM 495 NZ LYS A 50 9.356 10.615 0.037 1.00 0.00 N ATOM 0 H LYS A 50 3.993 7.562 -1.865 1.00 0.00 H new ATOM 0 HA LYS A 50 5.349 5.697 -3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.337 7.044 -2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.962 8.100 -3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.769 8.555 -0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.945 7.316 -0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.702 8.646 -1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.515 9.907 -1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.309 10.315 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.336 8.942 0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.550 11.009 0.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.176 10.060 -0.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.181 11.391 -0.633 1.00 0.00 H new ATOM 509 N THR A 51 5.739 5.167 -0.193 1.00 0.00 N ATOM 510 CA THR A 51 6.259 4.206 0.798 1.00 0.00 C ATOM 511 C THR A 51 5.540 2.835 0.662 1.00 0.00 C ATOM 512 O THR A 51 6.128 1.781 0.925 1.00 0.00 O ATOM 513 CB THR A 51 6.166 4.767 2.265 1.00 0.00 C ATOM 514 OG1 THR A 51 6.986 3.988 3.150 1.00 0.00 O ATOM 515 CG2 THR A 51 4.736 4.788 2.819 1.00 0.00 C ATOM 0 H THR A 51 5.150 5.899 0.204 1.00 0.00 H new ATOM 0 HA THR A 51 7.318 4.054 0.588 1.00 0.00 H new ATOM 0 HB THR A 51 6.518 5.797 2.213 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.920 4.348 4.059 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.745 5.186 3.834 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.110 5.418 2.187 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.335 3.774 2.830 1.00 0.00 H new ATOM 523 N LEU A 52 4.262 2.881 0.226 1.00 0.00 N ATOM 524 CA LEU A 52 3.448 1.688 -0.095 1.00 0.00 C ATOM 525 C LEU A 52 3.948 1.034 -1.400 1.00 0.00 C ATOM 526 O LEU A 52 3.991 -0.195 -1.513 1.00 0.00 O ATOM 527 CB LEU A 52 1.939 2.100 -0.183 1.00 0.00 C ATOM 528 CG LEU A 52 0.934 1.080 -0.856 1.00 0.00 C ATOM 529 CD1 LEU A 52 -0.415 1.040 -0.110 1.00 0.00 C ATOM 530 CD2 LEU A 52 0.701 1.411 -2.356 1.00 0.00 C ATOM 0 H LEU A 52 3.761 3.758 0.085 1.00 0.00 H new ATOM 0 HA LEU A 52 3.551 0.944 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.587 2.299 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.880 3.040 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 52 1.395 0.095 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.081 0.329 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.251 0.732 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.868 2.031 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.005 0.689 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.284 2.414 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.649 1.362 -2.891 1.00 0.00 H new ATOM 542 N MET A 53 4.296 1.889 -2.381 1.00 0.00 N ATOM 543 CA MET A 53 4.926 1.481 -3.656 1.00 0.00 C ATOM 544 C MET A 53 6.211 0.704 -3.391 1.00 0.00 C ATOM 545 O MET A 53 6.438 -0.357 -3.978 1.00 0.00 O ATOM 546 CB MET A 53 5.234 2.716 -4.547 1.00 0.00 C ATOM 547 CG MET A 53 3.996 3.492 -4.982 1.00 0.00 C ATOM 548 SD MET A 53 4.402 5.043 -5.802 1.00 0.00 S ATOM 549 CE MET A 53 2.766 5.687 -6.125 1.00 0.00 C ATOM 0 H MET A 53 4.146 2.896 -2.311 1.00 0.00 H new ATOM 0 HA MET A 53 4.222 0.839 -4.185 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.898 3.387 -4.002 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.773 2.385 -5.435 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.403 2.874 -5.656 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.376 3.698 -4.110 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.754 6.178 -7.098 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.046 4.869 -6.122 1.00 0.00 H new ATOM 0 HE3 MET A 53 2.499 6.408 -5.352 1.00 0.00 H new ATOM 559 N SER A 54 6.995 1.241 -2.438 1.00 0.00 N ATOM 560 CA SER A 54 8.261 0.657 -2.000 1.00 0.00 C ATOM 561 C SER A 54 8.006 -0.714 -1.348 1.00 0.00 C ATOM 562 O SER A 54 8.701 -1.678 -1.640 1.00 0.00 O ATOM 563 CB SER A 54 8.981 1.617 -1.015 1.00 0.00 C ATOM 564 OG SER A 54 10.233 1.099 -0.583 1.00 0.00 O ATOM 0 H SER A 54 6.757 2.104 -1.949 1.00 0.00 H new ATOM 0 HA SER A 54 8.909 0.512 -2.865 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.135 2.582 -1.498 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.343 1.792 -0.149 1.00 0.00 H new ATOM 0 HG SER A 54 10.654 1.733 0.034 1.00 0.00 H new ATOM 570 N HIS A 55 6.941 -0.793 -0.534 1.00 0.00 N ATOM 571 CA HIS A 55 6.625 -1.986 0.266 1.00 0.00 C ATOM 572 C HIS A 55 6.233 -3.175 -0.644 1.00 0.00 C ATOM 573 O HIS A 55 6.693 -4.300 -0.426 1.00 0.00 O ATOM 574 CB HIS A 55 5.483 -1.656 1.268 1.00 0.00 C ATOM 575 CG HIS A 55 5.384 -2.619 2.422 1.00 0.00 C ATOM 576 ND1 HIS A 55 5.739 -2.275 3.705 1.00 0.00 N ATOM 577 CD2 HIS A 55 4.948 -3.902 2.490 1.00 0.00 C ATOM 578 CE1 HIS A 55 5.536 -3.294 4.508 1.00 0.00 C ATOM 579 NE2 HIS A 55 5.058 -4.297 3.800 1.00 0.00 N ATOM 0 H HIS A 55 6.275 -0.030 -0.412 1.00 0.00 H new ATOM 0 HA HIS A 55 7.513 -2.279 0.826 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.636 -0.650 1.659 1.00 0.00 H new ATOM 0 HB3 HIS A 55 4.534 -1.648 0.732 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.583 -4.500 1.668 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.729 -3.308 5.571 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.810 -5.216 4.165 1.00 0.00 H new ATOM 588 N TYR A 56 5.357 -2.907 -1.640 1.00 0.00 N ATOM 589 CA TYR A 56 4.906 -3.913 -2.632 1.00 0.00 C ATOM 590 C TYR A 56 6.099 -4.554 -3.379 1.00 0.00 C ATOM 591 O TYR A 56 6.300 -5.775 -3.301 1.00 0.00 O ATOM 592 CB TYR A 56 3.922 -3.244 -3.646 1.00 0.00 C ATOM 593 CG TYR A 56 3.432 -4.153 -4.803 1.00 0.00 C ATOM 594 CD1 TYR A 56 2.282 -4.929 -4.675 1.00 0.00 C ATOM 595 CD2 TYR A 56 4.124 -4.228 -6.024 1.00 0.00 C ATOM 596 CE1 TYR A 56 1.839 -5.742 -5.702 1.00 0.00 C ATOM 597 CE2 TYR A 56 3.685 -5.041 -7.051 1.00 0.00 C ATOM 598 CZ TYR A 56 2.541 -5.794 -6.888 1.00 0.00 C ATOM 599 OH TYR A 56 2.108 -6.619 -7.905 1.00 0.00 O ATOM 0 H TYR A 56 4.942 -1.986 -1.779 1.00 0.00 H new ATOM 0 HA TYR A 56 4.391 -4.712 -2.098 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.052 -2.884 -3.097 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.411 -2.370 -4.077 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.723 -4.895 -3.751 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.018 -3.638 -6.162 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.945 -6.335 -5.576 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.236 -5.087 -7.979 1.00 0.00 H new ATOM 0 HH TYR A 56 2.629 -7.449 -7.897 1.00 0.00 H new ATOM 609 N GLU A 57 6.873 -3.706 -4.094 1.00 0.00 N ATOM 610 CA GLU A 57 8.009 -4.167 -4.926 1.00 0.00 C ATOM 611 C GLU A 57 9.073 -4.910 -4.084 1.00 0.00 C ATOM 612 O GLU A 57 9.586 -5.940 -4.522 1.00 0.00 O ATOM 613 CB GLU A 57 8.647 -3.015 -5.757 1.00 0.00 C ATOM 614 CG GLU A 57 9.092 -1.794 -4.935 1.00 0.00 C ATOM 615 CD GLU A 57 9.963 -0.805 -5.717 1.00 0.00 C ATOM 616 OE1 GLU A 57 9.418 0.071 -6.426 1.00 0.00 O ATOM 617 OE2 GLU A 57 11.207 -0.902 -5.636 1.00 0.00 O ATOM 0 H GLU A 57 6.731 -2.696 -4.112 1.00 0.00 H new ATOM 0 HA GLU A 57 7.596 -4.879 -5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.511 -3.408 -6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.928 -2.687 -6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.208 -1.273 -4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.645 -2.138 -4.061 1.00 0.00 H new ATOM 624 N GLU A 58 9.372 -4.409 -2.869 1.00 0.00 N ATOM 625 CA GLU A 58 10.321 -5.075 -1.947 1.00 0.00 C ATOM 626 C GLU A 58 9.803 -6.448 -1.475 1.00 0.00 C ATOM 627 O GLU A 58 10.588 -7.393 -1.386 1.00 0.00 O ATOM 628 CB GLU A 58 10.659 -4.175 -0.727 1.00 0.00 C ATOM 629 CG GLU A 58 11.439 -2.888 -1.076 1.00 0.00 C ATOM 630 CD GLU A 58 12.830 -3.141 -1.688 1.00 0.00 C ATOM 631 OE1 GLU A 58 13.803 -3.327 -0.919 1.00 0.00 O ATOM 632 OE2 GLU A 58 12.970 -3.155 -2.938 1.00 0.00 O ATOM 0 H GLU A 58 8.972 -3.546 -2.501 1.00 0.00 H new ATOM 0 HA GLU A 58 11.237 -5.242 -2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.730 -3.898 -0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.243 -4.756 -0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.848 -2.297 -1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.555 -2.290 -0.172 1.00 0.00 H new ATOM 639 N ALA A 59 8.483 -6.553 -1.180 1.00 0.00 N ATOM 640 CA ALA A 59 7.844 -7.804 -0.696 1.00 0.00 C ATOM 641 C ALA A 59 8.033 -8.974 -1.674 1.00 0.00 C ATOM 642 O ALA A 59 8.375 -10.093 -1.269 1.00 0.00 O ATOM 643 CB ALA A 59 6.342 -7.563 -0.442 1.00 0.00 C ATOM 0 H ALA A 59 7.831 -5.773 -1.271 1.00 0.00 H new ATOM 0 HA ALA A 59 8.336 -8.081 0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.880 -8.485 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.221 -6.784 0.310 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.862 -7.250 -1.369 1.00 0.00 H new ATOM 649 N MET A 60 7.826 -8.692 -2.963 1.00 0.00 N ATOM 650 CA MET A 60 7.890 -9.709 -4.044 1.00 0.00 C ATOM 651 C MET A 60 9.126 -9.513 -4.958 1.00 0.00 C ATOM 652 O MET A 60 9.122 -9.972 -6.105 1.00 0.00 O ATOM 653 CB MET A 60 6.565 -9.674 -4.845 1.00 0.00 C ATOM 654 CG MET A 60 6.146 -8.289 -5.349 1.00 0.00 C ATOM 655 SD MET A 60 4.599 -8.335 -6.269 1.00 0.00 S ATOM 656 CE MET A 60 3.471 -8.897 -4.993 1.00 0.00 C ATOM 0 H MET A 60 7.608 -7.754 -3.299 1.00 0.00 H new ATOM 0 HA MET A 60 8.010 -10.695 -3.595 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.658 -10.342 -5.701 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.768 -10.071 -4.216 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.042 -7.613 -4.501 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.932 -7.883 -5.985 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.462 -8.553 -5.222 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.482 -9.986 -4.951 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.782 -8.494 -4.029 1.00 0.00 H new ATOM 666 N GLY A 61 10.194 -8.930 -4.370 1.00 0.00 N ATOM 667 CA GLY A 61 11.484 -8.664 -5.044 1.00 0.00 C ATOM 668 C GLY A 61 11.418 -8.282 -6.534 1.00 0.00 C ATOM 669 O GLY A 61 11.890 -9.037 -7.391 1.00 0.00 O ATOM 0 H GLY A 61 10.183 -8.626 -3.396 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.989 -7.860 -4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.108 -9.552 -4.947 1.00 0.00 H new ATOM 673 N LEU A 62 10.851 -7.108 -6.838 1.00 0.00 N ATOM 674 CA LEU A 62 10.714 -6.614 -8.231 1.00 0.00 C ATOM 675 C LEU A 62 11.956 -5.791 -8.628 1.00 0.00 C ATOM 676 O LEU A 62 11.914 -4.559 -8.734 1.00 0.00 O ATOM 677 CB LEU A 62 9.368 -5.836 -8.431 1.00 0.00 C ATOM 678 CG LEU A 62 8.234 -6.615 -9.185 1.00 0.00 C ATOM 679 CD1 LEU A 62 8.618 -6.889 -10.657 1.00 0.00 C ATOM 680 CD2 LEU A 62 7.863 -7.923 -8.459 1.00 0.00 C ATOM 0 H LEU A 62 10.474 -6.471 -6.137 1.00 0.00 H new ATOM 0 HA LEU A 62 10.666 -7.467 -8.908 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.991 -5.542 -7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.579 -4.918 -8.980 1.00 0.00 H new ATOM 0 HG LEU A 62 7.351 -5.975 -9.184 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.810 -7.430 -11.149 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.787 -5.943 -11.171 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.528 -7.488 -10.690 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.075 -8.435 -9.011 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.740 -8.567 -8.399 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.511 -7.694 -7.453 1.00 0.00 H new ATOM 692 N SER A 63 13.075 -6.515 -8.771 1.00 0.00 N ATOM 693 CA SER A 63 14.365 -5.973 -9.207 1.00 0.00 C ATOM 694 C SER A 63 14.587 -6.300 -10.703 1.00 0.00 C ATOM 695 O SER A 63 14.775 -7.469 -11.072 1.00 0.00 O ATOM 696 CB SER A 63 15.485 -6.565 -8.313 1.00 0.00 C ATOM 697 OG SER A 63 15.396 -7.984 -8.231 1.00 0.00 O ATOM 0 H SER A 63 13.107 -7.517 -8.582 1.00 0.00 H new ATOM 0 HA SER A 63 14.381 -4.888 -9.103 1.00 0.00 H new ATOM 0 HB2 SER A 63 16.459 -6.284 -8.714 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.417 -6.137 -7.313 1.00 0.00 H new ATOM 0 HG SER A 63 15.178 -8.350 -9.114 1.00 0.00 H new ATOM 703 N GLY A 64 14.515 -5.268 -11.556 1.00 0.00 N ATOM 704 CA GLY A 64 14.693 -5.418 -13.003 1.00 0.00 C ATOM 705 C GLY A 64 13.702 -4.544 -13.751 1.00 0.00 C ATOM 706 O GLY A 64 14.030 -3.422 -14.149 1.00 0.00 O ATOM 0 H GLY A 64 14.332 -4.309 -11.261 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.711 -5.145 -13.281 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.554 -6.461 -13.287 1.00 0.00 H new ATOM 710 N ARG A 65 12.475 -5.057 -13.926 1.00 0.00 N ATOM 711 CA ARG A 65 11.349 -4.270 -14.460 1.00 0.00 C ATOM 712 C ARG A 65 10.717 -3.445 -13.321 1.00 0.00 C ATOM 713 O ARG A 65 10.508 -3.963 -12.213 1.00 0.00 O ATOM 714 CB ARG A 65 10.287 -5.198 -15.129 1.00 0.00 C ATOM 715 CG ARG A 65 9.711 -6.302 -14.214 1.00 0.00 C ATOM 716 CD ARG A 65 8.604 -7.138 -14.887 1.00 0.00 C ATOM 717 NE ARG A 65 9.075 -7.863 -16.082 1.00 0.00 N ATOM 718 CZ ARG A 65 8.413 -8.867 -16.682 1.00 0.00 C ATOM 719 NH1 ARG A 65 7.275 -9.342 -16.176 1.00 0.00 N ATOM 720 NH2 ARG A 65 8.914 -9.408 -17.779 1.00 0.00 N ATOM 0 H ARG A 65 12.234 -6.023 -13.703 1.00 0.00 H new ATOM 0 HA ARG A 65 11.722 -3.592 -15.228 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.464 -4.581 -15.490 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.738 -5.670 -16.002 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.519 -6.965 -13.904 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.311 -5.843 -13.310 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.209 -7.854 -14.167 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.781 -6.481 -15.168 1.00 0.00 H new ATOM 0 HE ARG A 65 9.970 -7.581 -16.483 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.892 -8.943 -15.319 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.787 -10.105 -16.646 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.794 -9.063 -18.162 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.420 -10.171 -18.243 1.00 0.00 H new ATOM 734 N LYS A 66 10.442 -2.150 -13.572 1.00 0.00 N ATOM 735 CA LYS A 66 9.777 -1.284 -12.581 1.00 0.00 C ATOM 736 C LYS A 66 8.323 -1.046 -13.002 1.00 0.00 C ATOM 737 O LYS A 66 7.982 -1.126 -14.188 1.00 0.00 O ATOM 738 CB LYS A 66 10.546 0.054 -12.369 1.00 0.00 C ATOM 739 CG LYS A 66 10.293 0.757 -10.992 1.00 0.00 C ATOM 740 CD LYS A 66 11.235 0.271 -9.841 1.00 0.00 C ATOM 741 CE LYS A 66 11.012 -1.191 -9.395 1.00 0.00 C ATOM 742 NZ LYS A 66 11.990 -1.610 -8.364 1.00 0.00 N ATOM 0 H LYS A 66 10.670 -1.683 -14.450 1.00 0.00 H new ATOM 0 HA LYS A 66 9.782 -1.792 -11.617 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.614 -0.139 -12.469 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.270 0.743 -13.167 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.417 1.833 -11.118 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.258 0.588 -10.695 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.270 0.383 -10.165 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.099 0.924 -8.979 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.001 -1.300 -9.002 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.091 -1.850 -10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.065 -2.647 -8.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.920 -1.197 -8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.673 -1.280 -7.430 1.00 0.00 H new ATOM 756 N LEU A 67 7.472 -0.762 -12.012 1.00 0.00 N ATOM 757 CA LEU A 67 6.015 -0.744 -12.169 1.00 0.00 C ATOM 758 C LEU A 67 5.416 0.570 -11.639 1.00 0.00 C ATOM 759 O LEU A 67 6.012 1.250 -10.794 1.00 0.00 O ATOM 760 CB LEU A 67 5.363 -2.015 -11.496 1.00 0.00 C ATOM 761 CG LEU A 67 5.980 -2.606 -10.159 1.00 0.00 C ATOM 762 CD1 LEU A 67 7.311 -3.336 -10.390 1.00 0.00 C ATOM 763 CD2 LEU A 67 6.126 -1.549 -9.046 1.00 0.00 C ATOM 0 H LEU A 67 7.780 -0.535 -11.066 1.00 0.00 H new ATOM 0 HA LEU A 67 5.782 -0.789 -13.233 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.319 -1.776 -11.294 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.369 -2.814 -12.237 1.00 0.00 H new ATOM 0 HG LEU A 67 5.255 -3.344 -9.816 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.686 -3.719 -9.441 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.156 -4.165 -11.080 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.038 -2.643 -10.814 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.553 -2.013 -8.157 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.782 -0.749 -9.388 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.146 -1.137 -8.805 1.00 0.00 H new ATOM 775 N SER A 68 4.238 0.919 -12.170 1.00 0.00 N ATOM 776 CA SER A 68 3.460 2.099 -11.753 1.00 0.00 C ATOM 777 C SER A 68 2.267 1.660 -10.889 1.00 0.00 C ATOM 778 O SER A 68 1.973 0.474 -10.799 1.00 0.00 O ATOM 779 CB SER A 68 2.986 2.882 -12.997 1.00 0.00 C ATOM 780 OG SER A 68 4.089 3.332 -13.769 1.00 0.00 O ATOM 0 H SER A 68 3.789 0.383 -12.913 1.00 0.00 H new ATOM 0 HA SER A 68 4.091 2.757 -11.155 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.346 2.246 -13.608 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.384 3.736 -12.686 1.00 0.00 H new ATOM 0 HG SER A 68 3.762 3.823 -14.551 1.00 0.00 H new ATOM 786 N PHE A 69 1.600 2.633 -10.251 1.00 0.00 N ATOM 787 CA PHE A 69 0.478 2.398 -9.311 1.00 0.00 C ATOM 788 C PHE A 69 -0.692 3.310 -9.693 1.00 0.00 C ATOM 789 O PHE A 69 -0.498 4.499 -9.960 1.00 0.00 O ATOM 790 CB PHE A 69 0.904 2.644 -7.828 1.00 0.00 C ATOM 791 CG PHE A 69 1.743 1.524 -7.200 1.00 0.00 C ATOM 792 CD1 PHE A 69 3.026 1.243 -7.662 1.00 0.00 C ATOM 793 CD2 PHE A 69 1.247 0.754 -6.146 1.00 0.00 C ATOM 794 CE1 PHE A 69 3.777 0.236 -7.100 1.00 0.00 C ATOM 795 CE2 PHE A 69 2.007 -0.255 -5.585 1.00 0.00 C ATOM 796 CZ PHE A 69 3.268 -0.515 -6.066 1.00 0.00 C ATOM 0 H PHE A 69 1.823 3.621 -10.371 1.00 0.00 H new ATOM 0 HA PHE A 69 0.174 1.354 -9.386 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.471 3.574 -7.778 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.006 2.786 -7.227 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.438 1.824 -8.474 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.256 0.950 -5.764 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.771 0.034 -7.472 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.610 -0.839 -4.768 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.859 -1.308 -5.632 1.00 0.00 H new ATOM 806 N PHE A 70 -1.898 2.720 -9.767 1.00 0.00 N ATOM 807 CA PHE A 70 -3.130 3.418 -10.178 1.00 0.00 C ATOM 808 C PHE A 70 -4.253 3.214 -9.142 1.00 0.00 C ATOM 809 O PHE A 70 -4.625 2.092 -8.837 1.00 0.00 O ATOM 810 CB PHE A 70 -3.584 2.927 -11.581 1.00 0.00 C ATOM 811 CG PHE A 70 -2.665 3.345 -12.738 1.00 0.00 C ATOM 812 CD1 PHE A 70 -1.433 2.723 -12.949 1.00 0.00 C ATOM 813 CD2 PHE A 70 -3.035 4.361 -13.615 1.00 0.00 C ATOM 814 CE1 PHE A 70 -0.615 3.096 -13.996 1.00 0.00 C ATOM 815 CE2 PHE A 70 -2.216 4.729 -14.664 1.00 0.00 C ATOM 816 CZ PHE A 70 -1.009 4.098 -14.852 1.00 0.00 C ATOM 0 H PHE A 70 -2.047 1.736 -9.541 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.916 4.485 -10.234 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.653 1.839 -11.565 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.587 3.307 -11.777 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.115 1.936 -12.281 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.977 4.869 -13.473 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.334 2.602 -14.143 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.524 5.514 -15.338 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.370 4.389 -15.672 1.00 0.00 H new ATOM 826 N PHE A 71 -4.769 4.319 -8.598 1.00 0.00 N ATOM 827 CA PHE A 71 -5.963 4.318 -7.729 1.00 0.00 C ATOM 828 C PHE A 71 -7.163 4.803 -8.555 1.00 0.00 C ATOM 829 O PHE A 71 -7.233 5.989 -8.890 1.00 0.00 O ATOM 830 CB PHE A 71 -5.720 5.218 -6.487 1.00 0.00 C ATOM 831 CG PHE A 71 -6.950 5.449 -5.609 1.00 0.00 C ATOM 832 CD1 PHE A 71 -7.587 4.387 -4.971 1.00 0.00 C ATOM 833 CD2 PHE A 71 -7.466 6.734 -5.418 1.00 0.00 C ATOM 834 CE1 PHE A 71 -8.694 4.602 -4.182 1.00 0.00 C ATOM 835 CE2 PHE A 71 -8.576 6.942 -4.624 1.00 0.00 C ATOM 836 CZ PHE A 71 -9.189 5.877 -4.006 1.00 0.00 C ATOM 0 H PHE A 71 -4.373 5.247 -8.745 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.169 3.312 -7.362 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -4.936 4.768 -5.878 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.346 6.185 -6.824 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.208 3.384 -5.097 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.990 7.576 -5.898 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -9.178 3.767 -3.698 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.963 7.941 -4.488 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.057 6.039 -3.384 1.00 0.00 H new ATOM 846 N ASP A 72 -8.100 3.879 -8.860 1.00 0.00 N ATOM 847 CA ASP A 72 -9.239 4.112 -9.789 1.00 0.00 C ATOM 848 C ASP A 72 -8.741 4.654 -11.161 1.00 0.00 C ATOM 849 O ASP A 72 -9.335 5.555 -11.766 1.00 0.00 O ATOM 850 CB ASP A 72 -10.306 5.039 -9.122 1.00 0.00 C ATOM 851 CG ASP A 72 -11.671 5.034 -9.841 1.00 0.00 C ATOM 852 OD1 ASP A 72 -12.437 4.058 -9.668 1.00 0.00 O ATOM 853 OD2 ASP A 72 -11.988 5.999 -10.573 1.00 0.00 O ATOM 0 H ASP A 72 -8.091 2.938 -8.466 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.728 3.160 -9.995 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.449 4.727 -8.088 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.923 6.059 -9.097 1.00 0.00 H new ATOM 858 N GLY A 73 -7.620 4.073 -11.631 1.00 0.00 N ATOM 859 CA GLY A 73 -6.995 4.453 -12.906 1.00 0.00 C ATOM 860 C GLY A 73 -6.254 5.801 -12.886 1.00 0.00 C ATOM 861 O GLY A 73 -5.767 6.245 -13.928 1.00 0.00 O ATOM 0 H GLY A 73 -7.126 3.330 -11.137 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.292 3.672 -13.196 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.766 4.490 -13.676 1.00 0.00 H new ATOM 865 N THR A 74 -6.170 6.451 -11.715 1.00 0.00 N ATOM 866 CA THR A 74 -5.368 7.679 -11.525 1.00 0.00 C ATOM 867 C THR A 74 -3.897 7.293 -11.311 1.00 0.00 C ATOM 868 O THR A 74 -3.596 6.544 -10.375 1.00 0.00 O ATOM 869 CB THR A 74 -5.892 8.493 -10.287 1.00 0.00 C ATOM 870 OG1 THR A 74 -7.264 8.864 -10.496 1.00 0.00 O ATOM 871 CG2 THR A 74 -5.052 9.756 -9.987 1.00 0.00 C ATOM 0 H THR A 74 -6.654 6.144 -10.871 1.00 0.00 H new ATOM 0 HA THR A 74 -5.459 8.305 -12.412 1.00 0.00 H new ATOM 0 HB THR A 74 -5.800 7.839 -9.420 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.588 9.370 -9.722 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.467 10.272 -9.121 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.022 9.467 -9.778 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.074 10.421 -10.850 1.00 0.00 H new ATOM 879 N LYS A 75 -2.990 7.784 -12.187 1.00 0.00 N ATOM 880 CA LYS A 75 -1.549 7.513 -12.051 1.00 0.00 C ATOM 881 C LYS A 75 -1.031 8.268 -10.812 1.00 0.00 C ATOM 882 O LYS A 75 -1.020 9.503 -10.778 1.00 0.00 O ATOM 883 CB LYS A 75 -0.763 7.919 -13.349 1.00 0.00 C ATOM 884 CG LYS A 75 0.581 7.160 -13.592 1.00 0.00 C ATOM 885 CD LYS A 75 1.694 7.466 -12.561 1.00 0.00 C ATOM 886 CE LYS A 75 2.976 6.642 -12.794 1.00 0.00 C ATOM 887 NZ LYS A 75 3.572 6.851 -14.147 1.00 0.00 N ATOM 0 H LYS A 75 -3.233 8.366 -12.989 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.386 6.443 -11.920 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.411 7.757 -14.210 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.553 8.988 -13.305 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.383 6.088 -13.585 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.948 7.410 -14.587 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.939 8.527 -12.603 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.317 7.265 -11.558 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.713 6.906 -12.035 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.749 5.584 -12.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.457 6.310 -14.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.904 6.526 -14.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.771 7.862 -14.286 1.00 0.00 H new ATOM 901 N LEU A 76 -0.631 7.490 -9.804 1.00 0.00 N ATOM 902 CA LEU A 76 -0.090 7.995 -8.540 1.00 0.00 C ATOM 903 C LEU A 76 1.416 8.278 -8.739 1.00 0.00 C ATOM 904 O LEU A 76 2.184 7.355 -9.037 1.00 0.00 O ATOM 905 CB LEU A 76 -0.322 6.929 -7.427 1.00 0.00 C ATOM 906 CG LEU A 76 -1.768 6.347 -7.334 1.00 0.00 C ATOM 907 CD1 LEU A 76 -1.899 5.308 -6.200 1.00 0.00 C ATOM 908 CD2 LEU A 76 -2.811 7.479 -7.211 1.00 0.00 C ATOM 0 H LEU A 76 -0.675 6.472 -9.844 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.587 8.917 -8.237 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.372 6.104 -7.590 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.067 7.374 -6.465 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.972 5.814 -8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.920 4.929 -6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.210 4.483 -6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.659 5.778 -5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.810 7.048 -7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.610 8.063 -6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.750 8.127 -8.086 1.00 0.00 H new ATOM 920 N SER A 77 1.817 9.551 -8.609 1.00 0.00 N ATOM 921 CA SER A 77 3.210 10.002 -8.822 1.00 0.00 C ATOM 922 C SER A 77 4.137 9.528 -7.680 1.00 0.00 C ATOM 923 O SER A 77 5.347 9.352 -7.872 1.00 0.00 O ATOM 924 CB SER A 77 3.240 11.544 -8.909 1.00 0.00 C ATOM 925 OG SER A 77 2.196 12.035 -9.739 1.00 0.00 O ATOM 0 H SER A 77 1.182 10.307 -8.351 1.00 0.00 H new ATOM 0 HA SER A 77 3.573 9.566 -9.753 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.143 11.969 -7.910 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.203 11.870 -9.302 1.00 0.00 H new ATOM 0 HG SER A 77 1.472 12.387 -9.180 1.00 0.00 H new ATOM 931 N GLY A 78 3.543 9.334 -6.488 1.00 0.00 N ATOM 932 CA GLY A 78 4.270 8.943 -5.280 1.00 0.00 C ATOM 933 C GLY A 78 3.973 9.860 -4.103 1.00 0.00 C ATOM 934 O GLY A 78 3.732 9.393 -2.985 1.00 0.00 O ATOM 0 H GLY A 78 2.540 9.446 -6.342 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.006 7.919 -5.015 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.341 8.953 -5.484 1.00 0.00 H new ATOM 938 N ARG A 79 3.969 11.174 -4.372 1.00 0.00 N ATOM 939 CA ARG A 79 3.876 12.223 -3.328 1.00 0.00 C ATOM 940 C ARG A 79 2.439 12.458 -2.839 1.00 0.00 C ATOM 941 O ARG A 79 2.229 13.285 -1.939 1.00 0.00 O ATOM 942 CB ARG A 79 4.491 13.552 -3.851 1.00 0.00 C ATOM 943 CG ARG A 79 5.991 13.456 -4.191 1.00 0.00 C ATOM 944 CD ARG A 79 6.584 14.800 -4.659 1.00 0.00 C ATOM 945 NE ARG A 79 5.926 15.319 -5.880 1.00 0.00 N ATOM 946 CZ ARG A 79 6.099 16.550 -6.392 1.00 0.00 C ATOM 947 NH1 ARG A 79 6.859 17.448 -5.776 1.00 0.00 N ATOM 948 NH2 ARG A 79 5.478 16.881 -7.514 1.00 0.00 N ATOM 0 H ARG A 79 4.030 11.547 -5.319 1.00 0.00 H new ATOM 0 HA ARG A 79 4.444 11.866 -2.469 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.946 13.867 -4.741 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.348 14.328 -3.099 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.536 13.109 -3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.135 12.709 -4.972 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.487 15.534 -3.859 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.650 14.676 -4.850 1.00 0.00 H new ATOM 0 HE ARG A 79 5.290 14.692 -6.372 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.323 17.208 -4.900 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.979 18.377 -6.179 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.875 16.204 -7.982 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.603 17.813 -7.910 1.00 0.00 H new ATOM 962 N GLU A 80 1.457 11.733 -3.408 1.00 0.00 N ATOM 963 CA GLU A 80 0.065 11.827 -2.962 1.00 0.00 C ATOM 964 C GLU A 80 -0.073 11.058 -1.656 1.00 0.00 C ATOM 965 O GLU A 80 0.593 10.053 -1.442 1.00 0.00 O ATOM 966 CB GLU A 80 -0.946 11.238 -3.991 1.00 0.00 C ATOM 967 CG GLU A 80 -0.956 11.894 -5.389 1.00 0.00 C ATOM 968 CD GLU A 80 0.316 11.643 -6.205 1.00 0.00 C ATOM 969 OE1 GLU A 80 0.844 10.516 -6.151 1.00 0.00 O ATOM 970 OE2 GLU A 80 0.786 12.560 -6.908 1.00 0.00 O ATOM 0 H GLU A 80 1.608 11.079 -4.176 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.170 12.885 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.732 10.176 -4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.948 11.315 -3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.814 11.520 -5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.095 12.969 -5.274 1.00 0.00 H new ATOM 977 N LEU A 81 -0.965 11.534 -0.829 1.00 0.00 N ATOM 978 CA LEU A 81 -1.355 10.911 0.428 1.00 0.00 C ATOM 979 C LEU A 81 -2.712 10.221 0.209 1.00 0.00 C ATOM 980 O LEU A 81 -3.495 10.691 -0.628 1.00 0.00 O ATOM 981 CB LEU A 81 -1.433 12.047 1.472 1.00 0.00 C ATOM 982 CG LEU A 81 -0.103 12.860 1.645 1.00 0.00 C ATOM 983 CD1 LEU A 81 -0.326 14.205 2.353 1.00 0.00 C ATOM 984 CD2 LEU A 81 0.967 12.029 2.376 1.00 0.00 C ATOM 0 H LEU A 81 -1.467 12.403 -1.012 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.652 10.155 0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.230 12.734 1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.712 11.620 2.435 1.00 0.00 H new ATOM 0 HG LEU A 81 0.259 13.082 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.625 14.728 2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.018 14.813 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.744 14.029 3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.877 12.619 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.599 11.750 3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.183 11.128 1.802 1.00 0.00 H new ATOM 996 N PRO A 82 -3.035 9.100 0.927 1.00 0.00 N ATOM 997 CA PRO A 82 -4.326 8.404 0.737 1.00 0.00 C ATOM 998 C PRO A 82 -5.514 9.284 1.203 1.00 0.00 C ATOM 999 O PRO A 82 -6.625 9.157 0.696 1.00 0.00 O ATOM 1000 CB PRO A 82 -4.164 7.105 1.566 1.00 0.00 C ATOM 1001 CG PRO A 82 -3.146 7.443 2.609 1.00 0.00 C ATOM 1002 CD PRO A 82 -2.192 8.426 1.959 1.00 0.00 C ATOM 0 HA PRO A 82 -4.554 8.188 -0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.109 6.804 2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.831 6.276 0.942 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.619 7.881 3.488 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.618 6.550 2.943 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.796 9.139 2.682 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.337 7.919 1.511 1.00 0.00 H new ATOM 1010 N ALA A 83 -5.234 10.205 2.140 1.00 0.00 N ATOM 1011 CA ALA A 83 -6.193 11.233 2.589 1.00 0.00 C ATOM 1012 C ALA A 83 -6.551 12.206 1.435 1.00 0.00 C ATOM 1013 O ALA A 83 -7.716 12.571 1.255 1.00 0.00 O ATOM 1014 CB ALA A 83 -5.599 11.997 3.780 1.00 0.00 C ATOM 0 H ALA A 83 -4.331 10.259 2.611 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.115 10.743 2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.305 12.757 4.114 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.401 11.302 4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.668 12.475 3.477 1.00 0.00 H new ATOM 1020 N ASP A 84 -5.524 12.588 0.650 1.00 0.00 N ATOM 1021 CA ASP A 84 -5.665 13.519 -0.499 1.00 0.00 C ATOM 1022 C ASP A 84 -6.457 12.868 -1.651 1.00 0.00 C ATOM 1023 O ASP A 84 -7.338 13.495 -2.253 1.00 0.00 O ATOM 1024 CB ASP A 84 -4.263 13.954 -1.004 1.00 0.00 C ATOM 1025 CG ASP A 84 -4.302 14.967 -2.172 1.00 0.00 C ATOM 1026 OD1 ASP A 84 -4.321 16.190 -1.912 1.00 0.00 O ATOM 1027 OD2 ASP A 84 -4.307 14.548 -3.354 1.00 0.00 O ATOM 0 H ASP A 84 -4.568 12.261 0.791 1.00 0.00 H new ATOM 0 HA ASP A 84 -6.217 14.395 -0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.709 14.393 -0.174 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.712 13.069 -1.322 1.00 0.00 H new ATOM 1032 N LEU A 85 -6.128 11.597 -1.931 1.00 0.00 N ATOM 1033 CA LEU A 85 -6.732 10.816 -3.033 1.00 0.00 C ATOM 1034 C LEU A 85 -8.190 10.420 -2.721 1.00 0.00 C ATOM 1035 O LEU A 85 -8.950 10.104 -3.638 1.00 0.00 O ATOM 1036 CB LEU A 85 -5.883 9.548 -3.298 1.00 0.00 C ATOM 1037 CG LEU A 85 -4.473 9.784 -3.939 1.00 0.00 C ATOM 1038 CD1 LEU A 85 -3.618 8.511 -3.854 1.00 0.00 C ATOM 1039 CD2 LEU A 85 -4.583 10.268 -5.413 1.00 0.00 C ATOM 0 H LEU A 85 -5.432 11.075 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.745 11.444 -3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.747 9.023 -2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.450 8.886 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.984 10.573 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.643 8.697 -4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.487 8.230 -2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.116 7.702 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.584 10.420 -5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.106 9.517 -6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.136 11.207 -5.447 1.00 0.00 H new ATOM 1051 N GLY A 86 -8.566 10.445 -1.426 1.00 0.00 N ATOM 1052 CA GLY A 86 -9.895 9.999 -0.986 1.00 0.00 C ATOM 1053 C GLY A 86 -9.981 8.479 -0.934 1.00 0.00 C ATOM 1054 O GLY A 86 -10.901 7.871 -1.486 1.00 0.00 O ATOM 0 H GLY A 86 -7.964 10.770 -0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.111 10.411 -0.000 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.654 10.385 -1.666 1.00 0.00 H new ATOM 1058 N MET A 87 -9.003 7.879 -0.252 1.00 0.00 N ATOM 1059 CA MET A 87 -8.814 6.421 -0.159 1.00 0.00 C ATOM 1060 C MET A 87 -9.233 5.945 1.249 1.00 0.00 C ATOM 1061 O MET A 87 -9.203 6.735 2.204 1.00 0.00 O ATOM 1062 CB MET A 87 -7.322 6.086 -0.454 1.00 0.00 C ATOM 1063 CG MET A 87 -7.022 4.619 -0.774 1.00 0.00 C ATOM 1064 SD MET A 87 -5.269 4.333 -1.096 1.00 0.00 S ATOM 1065 CE MET A 87 -4.954 5.404 -2.495 1.00 0.00 C ATOM 0 H MET A 87 -8.299 8.404 0.267 1.00 0.00 H new ATOM 0 HA MET A 87 -9.434 5.903 -0.891 1.00 0.00 H new ATOM 0 HB2 MET A 87 -6.991 6.697 -1.294 1.00 0.00 H new ATOM 0 HB3 MET A 87 -6.725 6.380 0.409 1.00 0.00 H new ATOM 0 HG2 MET A 87 -7.343 3.995 0.060 1.00 0.00 H new ATOM 0 HG3 MET A 87 -7.604 4.313 -1.644 1.00 0.00 H new ATOM 0 HE1 MET A 87 -4.352 4.872 -3.232 1.00 0.00 H new ATOM 0 HE2 MET A 87 -5.901 5.702 -2.946 1.00 0.00 H new ATOM 0 HE3 MET A 87 -4.417 6.291 -2.160 1.00 0.00 H new ATOM 1075 N GLU A 88 -9.593 4.657 1.385 1.00 0.00 N ATOM 1076 CA GLU A 88 -10.217 4.118 2.619 1.00 0.00 C ATOM 1077 C GLU A 88 -9.649 2.721 2.959 1.00 0.00 C ATOM 1078 O GLU A 88 -9.075 2.061 2.094 1.00 0.00 O ATOM 1079 CB GLU A 88 -11.757 4.059 2.400 1.00 0.00 C ATOM 1080 CG GLU A 88 -12.585 3.647 3.627 1.00 0.00 C ATOM 1081 CD GLU A 88 -14.092 3.599 3.343 1.00 0.00 C ATOM 1082 OE1 GLU A 88 -14.571 2.570 2.821 1.00 0.00 O ATOM 1083 OE2 GLU A 88 -14.803 4.588 3.633 1.00 0.00 O ATOM 0 H GLU A 88 -9.463 3.960 0.652 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.991 4.768 3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.097 5.040 2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.965 3.358 1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.254 2.667 3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.396 4.349 4.439 1.00 0.00 H new ATOM 1090 N SER A 89 -9.795 2.289 4.231 1.00 0.00 N ATOM 1091 CA SER A 89 -9.444 0.922 4.667 1.00 0.00 C ATOM 1092 C SER A 89 -10.311 -0.122 3.917 1.00 0.00 C ATOM 1093 O SER A 89 -11.540 -0.120 4.030 1.00 0.00 O ATOM 1094 CB SER A 89 -9.630 0.785 6.194 1.00 0.00 C ATOM 1095 OG SER A 89 -8.851 1.738 6.896 1.00 0.00 O ATOM 0 H SER A 89 -10.158 2.877 4.981 1.00 0.00 H new ATOM 0 HA SER A 89 -8.397 0.736 4.427 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.682 0.915 6.447 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.348 -0.220 6.508 1.00 0.00 H new ATOM 0 HG SER A 89 -8.485 1.328 7.707 1.00 0.00 H new ATOM 1101 N GLY A 90 -9.645 -0.986 3.142 1.00 0.00 N ATOM 1102 CA GLY A 90 -10.308 -1.984 2.301 1.00 0.00 C ATOM 1103 C GLY A 90 -10.685 -1.413 0.950 1.00 0.00 C ATOM 1104 O GLY A 90 -11.827 -1.551 0.492 1.00 0.00 O ATOM 0 H GLY A 90 -8.627 -1.011 3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.648 -2.841 2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.203 -2.349 2.805 1.00 0.00 H new ATOM 1108 N ASP A 91 -9.708 -0.747 0.315 1.00 0.00 N ATOM 1109 CA ASP A 91 -9.882 -0.122 -1.011 1.00 0.00 C ATOM 1110 C ASP A 91 -9.212 -1.020 -2.080 1.00 0.00 C ATOM 1111 O ASP A 91 -8.963 -2.212 -1.828 1.00 0.00 O ATOM 1112 CB ASP A 91 -9.274 1.325 -0.993 1.00 0.00 C ATOM 1113 CG ASP A 91 -10.082 2.351 -1.811 1.00 0.00 C ATOM 1114 OD1 ASP A 91 -10.433 2.058 -2.974 1.00 0.00 O ATOM 1115 OD2 ASP A 91 -10.364 3.458 -1.299 1.00 0.00 O ATOM 0 H ASP A 91 -8.773 -0.625 0.705 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.940 -0.030 -1.258 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -9.209 1.668 0.039 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -8.256 1.286 -1.381 1.00 0.00 H new ATOM 1120 N LEU A 92 -8.915 -0.454 -3.268 1.00 0.00 N ATOM 1121 CA LEU A 92 -8.229 -1.167 -4.345 1.00 0.00 C ATOM 1122 C LEU A 92 -7.268 -0.199 -5.055 1.00 0.00 C ATOM 1123 O LEU A 92 -7.684 0.769 -5.703 1.00 0.00 O ATOM 1124 CB LEU A 92 -9.222 -1.775 -5.369 1.00 0.00 C ATOM 1125 CG LEU A 92 -8.577 -2.715 -6.445 1.00 0.00 C ATOM 1126 CD1 LEU A 92 -7.960 -3.976 -5.796 1.00 0.00 C ATOM 1127 CD2 LEU A 92 -9.592 -3.083 -7.554 1.00 0.00 C ATOM 0 H LEU A 92 -9.148 0.512 -3.500 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.675 -1.996 -3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.981 -2.338 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.735 -0.961 -5.881 1.00 0.00 H new ATOM 0 HG LEU A 92 -7.765 -2.164 -6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.521 -4.606 -6.570 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.186 -3.679 -5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.737 -4.533 -5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.113 -3.735 -8.284 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -10.444 -3.598 -7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -9.935 -2.175 -8.049 1.00 0.00 H new ATOM 1139 N ILE A 93 -5.988 -0.447 -4.840 1.00 0.00 N ATOM 1140 CA ILE A 93 -4.901 0.159 -5.604 1.00 0.00 C ATOM 1141 C ILE A 93 -4.431 -0.886 -6.628 1.00 0.00 C ATOM 1142 O ILE A 93 -4.477 -2.099 -6.369 1.00 0.00 O ATOM 1143 CB ILE A 93 -3.716 0.617 -4.676 1.00 0.00 C ATOM 1144 CG1 ILE A 93 -4.250 1.495 -3.499 1.00 0.00 C ATOM 1145 CG2 ILE A 93 -2.619 1.373 -5.485 1.00 0.00 C ATOM 1146 CD1 ILE A 93 -3.201 1.862 -2.467 1.00 0.00 C ATOM 0 H ILE A 93 -5.664 -1.088 -4.116 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.254 1.060 -6.105 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.254 -0.276 -4.256 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.675 2.411 -3.909 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.060 0.962 -3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.815 1.675 -4.814 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.219 0.716 -6.257 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.055 2.257 -5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.656 2.471 -1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.791 0.953 -2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.400 2.425 -2.946 1.00 0.00 H new ATOM 1158 N GLU A 94 -3.972 -0.412 -7.777 1.00 0.00 N ATOM 1159 CA GLU A 94 -3.581 -1.245 -8.914 1.00 0.00 C ATOM 1160 C GLU A 94 -2.083 -1.036 -9.114 1.00 0.00 C ATOM 1161 O GLU A 94 -1.517 -0.048 -8.617 1.00 0.00 O ATOM 1162 CB GLU A 94 -4.358 -0.814 -10.186 1.00 0.00 C ATOM 1163 CG GLU A 94 -5.891 -0.806 -10.033 1.00 0.00 C ATOM 1164 CD GLU A 94 -6.593 -0.124 -11.217 1.00 0.00 C ATOM 1165 OE1 GLU A 94 -6.862 -0.806 -12.232 1.00 0.00 O ATOM 1166 OE2 GLU A 94 -6.851 1.102 -11.152 1.00 0.00 O ATOM 0 H GLU A 94 -3.857 0.586 -7.953 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.809 -2.295 -8.729 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.030 0.185 -10.474 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.092 -1.485 -11.003 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.250 -1.831 -9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.159 -0.292 -9.110 1.00 0.00 H new ATOM 1173 N VAL A 95 -1.433 -1.946 -9.836 1.00 0.00 N ATOM 1174 CA VAL A 95 0.006 -1.867 -10.104 1.00 0.00 C ATOM 1175 C VAL A 95 0.219 -2.259 -11.573 1.00 0.00 C ATOM 1176 O VAL A 95 0.134 -3.424 -11.919 1.00 0.00 O ATOM 1177 CB VAL A 95 0.864 -2.804 -9.158 1.00 0.00 C ATOM 1178 CG1 VAL A 95 2.375 -2.562 -9.357 1.00 0.00 C ATOM 1179 CG2 VAL A 95 0.469 -2.666 -7.668 1.00 0.00 C ATOM 0 H VAL A 95 -1.886 -2.759 -10.253 1.00 0.00 H new ATOM 0 HA VAL A 95 0.346 -0.851 -9.905 1.00 0.00 H new ATOM 0 HB VAL A 95 0.641 -3.831 -9.448 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.939 -3.219 -8.695 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.644 -2.772 -10.392 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.611 -1.523 -9.125 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.088 -3.330 -7.065 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.620 -1.636 -7.345 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.580 -2.935 -7.543 1.00 0.00 H new ATOM 1189 N TRP A 96 0.466 -1.273 -12.436 1.00 0.00 N ATOM 1190 CA TRP A 96 0.582 -1.482 -13.887 1.00 0.00 C ATOM 1191 C TRP A 96 2.020 -1.216 -14.347 1.00 0.00 C ATOM 1192 O TRP A 96 2.473 -0.075 -14.352 1.00 0.00 O ATOM 1193 CB TRP A 96 -0.434 -0.567 -14.622 1.00 0.00 C ATOM 1194 CG TRP A 96 -1.884 -0.967 -14.385 1.00 0.00 C ATOM 1195 CD1 TRP A 96 -2.799 -0.349 -13.579 1.00 0.00 C ATOM 1196 CD2 TRP A 96 -2.559 -2.100 -14.948 1.00 0.00 C ATOM 1197 NE1 TRP A 96 -3.998 -1.008 -13.627 1.00 0.00 N ATOM 1198 CE2 TRP A 96 -3.878 -2.086 -14.456 1.00 0.00 C ATOM 1199 CE3 TRP A 96 -2.182 -3.117 -15.831 1.00 0.00 C ATOM 1200 CZ2 TRP A 96 -4.816 -3.054 -14.804 1.00 0.00 C ATOM 1201 CZ3 TRP A 96 -3.113 -4.075 -16.177 1.00 0.00 C ATOM 1202 CH2 TRP A 96 -4.420 -4.036 -15.668 1.00 0.00 C ATOM 0 H TRP A 96 0.592 -0.302 -12.151 1.00 0.00 H new ATOM 0 HA TRP A 96 0.348 -2.518 -14.131 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -0.290 0.462 -14.293 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -0.227 -0.592 -15.692 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.604 0.534 -12.988 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -4.844 -0.737 -13.125 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -1.181 -3.152 -16.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -5.820 -3.030 -14.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -2.830 -4.869 -16.852 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -5.127 -4.797 -15.965 1.00 0.00 H new ATOM 1213 N GLY A 97 2.730 -2.295 -14.697 1.00 0.00 N ATOM 1214 CA GLY A 97 4.103 -2.220 -15.186 1.00 0.00 C ATOM 1215 C GLY A 97 4.200 -2.770 -16.605 1.00 0.00 C ATOM 1216 O GLY A 97 4.408 -3.989 -16.768 1.00 0.00 O ATOM 1217 OXT GLY A 97 4.037 -1.996 -17.567 1.00 0.00 O ATOM 0 H GLY A 97 2.363 -3.245 -14.647 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.445 -1.185 -15.167 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.761 -2.785 -14.526 1.00 0.00 H new TER 1221 GLY A 97