USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 730 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 75 TYR OH : rot -174:sc= 0.69 USER MOD Set 1.2: A 94 SER OG : rot 59:sc= 0.542 USER MOD Set 2.1: A 41 TYR OH : rot 13:sc= 1.3 USER MOD Set 2.2: A 53 HIS : no HD1:sc= 1.08 K(o=3.8,f=-4.8!) USER MOD Set 2.3: A 85 SER OG : rot -70:sc= 1.42 USER MOD Set 3.1: A 34 SER OG : rot -6:sc= 0.648 USER MOD Set 3.2: A 36 TYR OH : rot -44:sc= 0.731 USER MOD Set 3.3: A 86 GLN : amide:sc= 0.841 K(o=2.2,f=1.3) USER MOD Single : A 1 THR N :NH3+ 180:sc=-0.00481 (180deg=-0.00481) USER MOD Single : A 1 THR OG1 : rot -47:sc= 0.145 USER MOD Single : A 7 THR OG1 : rot -48:sc= 0.0697 USER MOD Single : A 10 THR OG1 : rot -150:sc= 0.0555 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc= 0.678 (180deg=0.554) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 43 SER OG : rot 130:sc= -0.115 USER MOD Single : A 45 SER OG : rot 81:sc= 0.767 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.51 K(o=-1.5,f=-2.2!) USER MOD Single : A 60 SER OG : rot -32:sc= 0.0665 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -79:sc= 1.25 USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -148:sc= 0.406 USER MOD Single : A 81 ASN : amide:sc= 1.08 K(o=1.1,f=-0.25) USER MOD Single : A 84 GLN : amide:sc= 1.13 K(o=1.1,f=-0.095) USER MOD Single : A 87 MET CE :methyl -128:sc=-0.00645 (180deg=-0.207) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0256 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 84:sc= 1.12 USER MOD Single : A 98 THR OG1 : rot 20:sc= 0.512 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -16.259 -4.485 0.631 1.00 0.00 N ATOM 2 CA THR A 1 -16.859 -5.654 -0.031 1.00 0.00 C ATOM 3 C THR A 1 -16.600 -5.698 -1.555 1.00 0.00 C ATOM 4 O THR A 1 -17.388 -6.282 -2.302 1.00 0.00 O ATOM 5 CB THR A 1 -18.350 -5.729 0.365 1.00 0.00 C ATOM 6 OG1 THR A 1 -18.895 -7.005 0.094 1.00 0.00 O ATOM 7 CG2 THR A 1 -19.211 -4.637 -0.286 1.00 0.00 C ATOM 0 H1 THR A 1 -16.470 -4.516 1.649 1.00 0.00 H new ATOM 0 H2 THR A 1 -15.229 -4.497 0.490 1.00 0.00 H new ATOM 0 H3 THR A 1 -16.654 -3.614 0.222 1.00 0.00 H new ATOM 0 HA THR A 1 -16.366 -6.560 0.322 1.00 0.00 H new ATOM 0 HB THR A 1 -18.374 -5.553 1.440 1.00 0.00 H new ATOM 0 HG1 THR A 1 -18.639 -7.285 -0.810 1.00 0.00 H new ATOM 0 HG21 THR A 1 -20.246 -4.750 0.036 1.00 0.00 H new ATOM 0 HG22 THR A 1 -18.842 -3.656 0.014 1.00 0.00 H new ATOM 0 HG23 THR A 1 -19.156 -4.729 -1.371 1.00 0.00 H new ATOM 16 N ALA A 2 -15.498 -5.117 -2.040 1.00 0.00 N ATOM 17 CA ALA A 2 -15.021 -5.321 -3.402 1.00 0.00 C ATOM 18 C ALA A 2 -13.507 -5.080 -3.417 1.00 0.00 C ATOM 19 O ALA A 2 -13.088 -3.920 -3.484 1.00 0.00 O ATOM 20 CB ALA A 2 -15.735 -4.352 -4.356 1.00 0.00 C ATOM 0 H ALA A 2 -14.911 -4.489 -1.491 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.235 -6.337 -3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.374 -4.510 -5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.809 -4.532 -4.321 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.529 -3.325 -4.053 1.00 0.00 H new ATOM 26 N PRO A 3 -12.666 -6.123 -3.362 1.00 0.00 N ATOM 27 CA PRO A 3 -11.222 -5.979 -3.458 1.00 0.00 C ATOM 28 C PRO A 3 -10.770 -5.853 -4.918 1.00 0.00 C ATOM 29 O PRO A 3 -11.583 -5.966 -5.843 1.00 0.00 O ATOM 30 CB PRO A 3 -10.669 -7.251 -2.807 1.00 0.00 C ATOM 31 CG PRO A 3 -11.707 -8.300 -3.183 1.00 0.00 C ATOM 32 CD PRO A 3 -13.010 -7.508 -3.082 1.00 0.00 C ATOM 0 HA PRO A 3 -10.862 -5.075 -2.966 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.680 -7.505 -3.190 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.575 -7.144 -1.726 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.545 -8.693 -4.187 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.693 -9.151 -2.502 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.747 -7.878 -3.795 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.450 -7.607 -2.090 1.00 0.00 H new ATOM 40 N ILE A 4 -9.474 -5.644 -5.134 1.00 0.00 N ATOM 41 CA ILE A 4 -8.836 -5.628 -6.439 1.00 0.00 C ATOM 42 C ILE A 4 -7.727 -6.675 -6.386 1.00 0.00 C ATOM 43 O ILE A 4 -6.830 -6.601 -5.543 1.00 0.00 O ATOM 44 CB ILE A 4 -8.292 -4.231 -6.820 1.00 0.00 C ATOM 45 CG1 ILE A 4 -9.238 -3.057 -6.478 1.00 0.00 C ATOM 46 CG2 ILE A 4 -8.020 -4.214 -8.333 1.00 0.00 C ATOM 47 CD1 ILE A 4 -8.983 -2.463 -5.092 1.00 0.00 C ATOM 0 H ILE A 4 -8.817 -5.475 -4.372 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.561 -5.862 -7.218 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.390 -4.079 -6.228 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.122 -2.275 -7.228 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.270 -3.402 -6.534 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.635 -3.236 -8.623 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.285 -4.981 -8.579 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.947 -4.413 -8.872 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.679 -1.644 -4.913 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.127 -3.233 -4.334 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -7.961 -2.088 -5.039 1.00 0.00 H new ATOM 59 N ALA A 5 -7.792 -7.666 -7.269 1.00 0.00 N ATOM 60 CA ALA A 5 -6.734 -8.646 -7.404 1.00 0.00 C ATOM 61 C ALA A 5 -5.708 -7.991 -8.319 1.00 0.00 C ATOM 62 O ALA A 5 -5.979 -7.795 -9.506 1.00 0.00 O ATOM 63 CB ALA A 5 -7.288 -9.939 -8.001 1.00 0.00 C ATOM 0 H ALA A 5 -8.577 -7.807 -7.905 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.288 -8.923 -6.449 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.484 -10.669 -8.098 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.064 -10.338 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.712 -9.734 -8.984 1.00 0.00 H new ATOM 69 N ILE A 6 -4.558 -7.608 -7.770 1.00 0.00 N ATOM 70 CA ILE A 6 -3.522 -6.883 -8.501 1.00 0.00 C ATOM 71 C ILE A 6 -2.454 -7.887 -8.950 1.00 0.00 C ATOM 72 O ILE A 6 -2.605 -9.079 -8.677 1.00 0.00 O ATOM 73 CB ILE A 6 -3.050 -5.659 -7.677 1.00 0.00 C ATOM 74 CG1 ILE A 6 -2.594 -5.874 -6.217 1.00 0.00 C ATOM 75 CG2 ILE A 6 -4.202 -4.647 -7.616 1.00 0.00 C ATOM 76 CD1 ILE A 6 -1.243 -6.569 -6.079 1.00 0.00 C ATOM 0 H ILE A 6 -4.317 -7.794 -6.796 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.886 -6.432 -9.424 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.154 -5.341 -8.211 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.545 -4.906 -5.717 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.348 -6.464 -5.696 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.891 -3.776 -7.039 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.468 -4.337 -8.627 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.067 -5.108 -7.138 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.998 -6.681 -5.023 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.290 -7.552 -6.547 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.474 -5.971 -6.569 1.00 0.00 H new ATOM 88 N THR A 7 -1.411 -7.468 -9.674 1.00 0.00 N ATOM 89 CA THR A 7 -0.432 -8.410 -10.239 1.00 0.00 C ATOM 90 C THR A 7 0.954 -8.256 -9.592 1.00 0.00 C ATOM 91 O THR A 7 1.969 -8.633 -10.175 1.00 0.00 O ATOM 92 CB THR A 7 -0.474 -8.344 -11.782 1.00 0.00 C ATOM 93 OG1 THR A 7 0.068 -9.544 -12.292 1.00 0.00 O ATOM 94 CG2 THR A 7 0.286 -7.152 -12.376 1.00 0.00 C ATOM 0 H THR A 7 -1.221 -6.488 -9.883 1.00 0.00 H new ATOM 0 HA THR A 7 -0.705 -9.434 -9.985 1.00 0.00 H new ATOM 0 HB THR A 7 -1.517 -8.211 -12.070 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.913 -9.741 -11.836 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.209 -7.177 -13.463 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.145 -6.223 -12.003 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.335 -7.208 -12.085 1.00 0.00 H new ATOM 102 N CYS A 8 1.021 -7.706 -8.374 1.00 0.00 N ATOM 103 CA CYS A 8 2.268 -7.535 -7.627 1.00 0.00 C ATOM 104 C CYS A 8 3.308 -6.662 -8.366 1.00 0.00 C ATOM 105 O CYS A 8 4.513 -6.857 -8.230 1.00 0.00 O ATOM 106 CB CYS A 8 2.796 -8.903 -7.170 1.00 0.00 C ATOM 107 SG CYS A 8 1.819 -9.782 -5.921 1.00 0.00 S ATOM 0 H CYS A 8 0.200 -7.364 -7.875 1.00 0.00 H new ATOM 0 HA CYS A 8 2.054 -6.958 -6.727 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.881 -9.544 -8.047 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.803 -8.764 -6.777 1.00 0.00 H new ATOM 112 N PHE A 9 2.833 -5.745 -9.213 1.00 0.00 N ATOM 113 CA PHE A 9 3.612 -4.717 -9.916 1.00 0.00 C ATOM 114 C PHE A 9 3.012 -3.320 -9.666 1.00 0.00 C ATOM 115 O PHE A 9 3.675 -2.287 -9.773 1.00 0.00 O ATOM 116 CB PHE A 9 3.634 -5.044 -11.416 1.00 0.00 C ATOM 117 CG PHE A 9 4.422 -4.066 -12.269 1.00 0.00 C ATOM 118 CD1 PHE A 9 5.782 -3.847 -11.994 1.00 0.00 C ATOM 119 CD2 PHE A 9 3.818 -3.394 -13.351 1.00 0.00 C ATOM 120 CE1 PHE A 9 6.539 -2.986 -12.804 1.00 0.00 C ATOM 121 CE2 PHE A 9 4.582 -2.536 -14.165 1.00 0.00 C ATOM 122 CZ PHE A 9 5.944 -2.334 -13.895 1.00 0.00 C ATOM 0 H PHE A 9 1.840 -5.696 -9.441 1.00 0.00 H new ATOM 0 HA PHE A 9 4.634 -4.710 -9.537 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.053 -6.041 -11.550 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.608 -5.078 -11.781 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.247 -4.343 -11.155 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.767 -3.538 -13.556 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.584 -2.825 -12.587 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.118 -2.032 -15.000 1.00 0.00 H new ATOM 0 HZ PHE A 9 6.531 -1.680 -14.523 1.00 0.00 H new ATOM 132 N THR A 10 1.717 -3.325 -9.364 1.00 0.00 N ATOM 133 CA THR A 10 0.773 -2.243 -9.181 1.00 0.00 C ATOM 134 C THR A 10 1.186 -1.292 -8.053 1.00 0.00 C ATOM 135 O THR A 10 1.611 -1.722 -6.980 1.00 0.00 O ATOM 136 CB THR A 10 -0.576 -2.945 -8.929 1.00 0.00 C ATOM 137 OG1 THR A 10 -0.710 -4.066 -9.800 1.00 0.00 O ATOM 138 CG2 THR A 10 -1.790 -2.042 -9.126 1.00 0.00 C ATOM 0 H THR A 10 1.247 -4.219 -9.224 1.00 0.00 H new ATOM 0 HA THR A 10 0.721 -1.588 -10.051 1.00 0.00 H new ATOM 0 HB THR A 10 -0.559 -3.248 -7.882 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.658 -4.214 -9.999 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.700 -2.609 -8.930 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.732 -1.199 -8.437 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.806 -1.672 -10.151 1.00 0.00 H new ATOM 146 N ARG A 11 1.050 0.010 -8.301 1.00 0.00 N ATOM 147 CA ARG A 11 1.424 1.114 -7.420 1.00 0.00 C ATOM 148 C ARG A 11 0.188 1.750 -6.805 1.00 0.00 C ATOM 149 O ARG A 11 -0.933 1.513 -7.259 1.00 0.00 O ATOM 150 CB ARG A 11 2.146 2.170 -8.277 1.00 0.00 C ATOM 151 CG ARG A 11 3.407 1.624 -8.979 1.00 0.00 C ATOM 152 CD ARG A 11 3.834 2.531 -10.133 1.00 0.00 C ATOM 153 NE ARG A 11 2.760 2.610 -11.140 1.00 0.00 N ATOM 154 CZ ARG A 11 2.560 3.614 -11.994 1.00 0.00 C ATOM 155 NH1 ARG A 11 3.492 4.548 -12.158 1.00 0.00 N ATOM 156 NH2 ARG A 11 1.405 3.688 -12.639 1.00 0.00 N ATOM 0 H ARG A 11 0.650 0.342 -9.179 1.00 0.00 H new ATOM 0 HA ARG A 11 2.062 0.743 -6.618 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.456 2.552 -9.029 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.426 3.012 -7.644 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.220 1.541 -8.258 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.211 0.620 -9.355 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.064 3.528 -9.756 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.745 2.145 -10.591 1.00 0.00 H new ATOM 0 HE ARG A 11 2.111 1.825 -11.188 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.363 4.498 -11.630 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.336 5.315 -12.812 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.685 2.983 -12.479 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.236 4.450 -13.296 1.00 0.00 H new ATOM 170 N GLY A 12 0.392 2.636 -5.833 1.00 0.00 N ATOM 171 CA GLY A 12 -0.694 3.419 -5.262 1.00 0.00 C ATOM 172 C GLY A 12 -1.295 4.366 -6.309 1.00 0.00 C ATOM 173 O GLY A 12 -2.441 4.766 -6.155 1.00 0.00 O ATOM 0 H GLY A 12 1.307 2.828 -5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.468 2.752 -4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.325 3.995 -4.414 1.00 0.00 H new ATOM 177 N LEU A 13 -0.569 4.681 -7.393 1.00 0.00 N ATOM 178 CA LEU A 13 -1.062 5.472 -8.526 1.00 0.00 C ATOM 179 C LEU A 13 -2.107 4.683 -9.295 1.00 0.00 C ATOM 180 O LEU A 13 -3.068 5.245 -9.820 1.00 0.00 O ATOM 181 CB LEU A 13 0.063 5.773 -9.532 1.00 0.00 C ATOM 182 CG LEU A 13 1.106 6.774 -9.033 1.00 0.00 C ATOM 183 CD1 LEU A 13 2.322 6.738 -9.953 1.00 0.00 C ATOM 184 CD2 LEU A 13 0.577 8.209 -8.987 1.00 0.00 C ATOM 0 H LEU A 13 0.400 4.384 -7.506 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.467 6.395 -8.111 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.565 4.840 -9.786 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.381 6.157 -10.451 1.00 0.00 H new ATOM 0 HG LEU A 13 1.367 6.480 -8.016 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.067 7.451 -9.599 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.750 5.735 -9.952 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.020 7.002 -10.966 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.361 8.874 -8.625 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.273 8.517 -9.987 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.280 8.259 -8.315 1.00 0.00 H new ATOM 196 N ASP A 14 -1.888 3.378 -9.400 1.00 0.00 N ATOM 197 CA ASP A 14 -2.755 2.510 -10.168 1.00 0.00 C ATOM 198 C ASP A 14 -4.066 2.324 -9.400 1.00 0.00 C ATOM 199 O ASP A 14 -5.114 2.181 -10.032 1.00 0.00 O ATOM 200 CB ASP A 14 -2.043 1.187 -10.480 1.00 0.00 C ATOM 201 CG ASP A 14 -0.765 1.383 -11.307 1.00 0.00 C ATOM 202 OD1 ASP A 14 -0.811 2.063 -12.354 1.00 0.00 O ATOM 203 OD2 ASP A 14 0.319 0.904 -10.894 1.00 0.00 O ATOM 0 H ASP A 14 -1.106 2.898 -8.955 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.995 2.957 -11.133 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.793 0.685 -9.546 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.725 0.531 -11.022 1.00 0.00 H new ATOM 208 N ILE A 15 -4.055 2.369 -8.057 1.00 0.00 N ATOM 209 CA ILE A 15 -5.271 2.331 -7.243 1.00 0.00 C ATOM 210 C ILE A 15 -5.264 3.538 -6.292 1.00 0.00 C ATOM 211 O ILE A 15 -4.849 3.451 -5.135 1.00 0.00 O ATOM 212 CB ILE A 15 -5.420 0.951 -6.557 1.00 0.00 C ATOM 213 CG1 ILE A 15 -5.345 -0.164 -7.629 1.00 0.00 C ATOM 214 CG2 ILE A 15 -6.754 0.860 -5.789 1.00 0.00 C ATOM 215 CD1 ILE A 15 -5.629 -1.574 -7.123 1.00 0.00 C ATOM 0 H ILE A 15 -3.197 2.433 -7.509 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.167 2.428 -7.856 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.609 0.825 -5.840 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.055 0.069 -8.423 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.351 -0.149 -8.076 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.835 -0.119 -5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.788 1.637 -5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.583 0.998 -6.483 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.551 -2.280 -7.950 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.904 -1.837 -6.352 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.635 -1.615 -6.704 1.00 0.00 H new ATOM 227 N ARG A 16 -5.889 4.635 -6.728 1.00 0.00 N ATOM 228 CA ARG A 16 -6.007 5.891 -5.977 1.00 0.00 C ATOM 229 C ARG A 16 -7.375 5.986 -5.303 1.00 0.00 C ATOM 230 O ARG A 16 -7.984 7.057 -5.253 1.00 0.00 O ATOM 231 CB ARG A 16 -5.670 7.090 -6.895 1.00 0.00 C ATOM 232 CG ARG A 16 -4.153 7.163 -7.114 1.00 0.00 C ATOM 233 CD ARG A 16 -3.680 8.337 -7.976 1.00 0.00 C ATOM 234 NE ARG A 16 -3.492 7.946 -9.378 1.00 0.00 N ATOM 235 CZ ARG A 16 -2.830 8.637 -10.307 1.00 0.00 C ATOM 236 NH1 ARG A 16 -2.188 9.753 -10.001 1.00 0.00 N ATOM 237 NH2 ARG A 16 -2.810 8.200 -11.556 1.00 0.00 N ATOM 0 H ARG A 16 -6.341 4.676 -7.641 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.278 5.913 -5.167 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.181 6.983 -7.852 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.027 8.016 -6.445 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.663 7.225 -6.142 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.823 6.234 -7.579 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.409 9.146 -7.919 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.742 8.725 -7.578 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.907 7.061 -9.670 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.194 10.098 -9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.687 10.268 -10.725 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.299 7.340 -11.803 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.306 8.724 -12.271 1.00 0.00 H new ATOM 251 N LYS A 17 -7.913 4.858 -4.840 1.00 0.00 N ATOM 252 CA LYS A 17 -9.159 4.819 -4.082 1.00 0.00 C ATOM 253 C LYS A 17 -8.896 5.345 -2.672 1.00 0.00 C ATOM 254 O LYS A 17 -7.752 5.358 -2.212 1.00 0.00 O ATOM 255 CB LYS A 17 -9.690 3.373 -4.054 1.00 0.00 C ATOM 256 CG LYS A 17 -10.430 2.951 -5.337 1.00 0.00 C ATOM 257 CD LYS A 17 -9.706 3.290 -6.645 1.00 0.00 C ATOM 258 CE LYS A 17 -10.449 2.689 -7.828 1.00 0.00 C ATOM 259 NZ LYS A 17 -9.946 3.213 -9.113 1.00 0.00 N ATOM 0 H LYS A 17 -7.492 3.940 -4.983 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.915 5.449 -4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.854 2.693 -3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.364 3.261 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.601 1.875 -5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.409 3.429 -5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.637 4.372 -6.761 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.686 2.907 -6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.343 1.604 -7.811 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.513 2.907 -7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.477 2.780 -9.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.070 4.245 -9.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.936 2.983 -9.210 1.00 0.00 H new ATOM 273 N GLU A 18 -9.970 5.719 -1.982 1.00 0.00 N ATOM 274 CA GLU A 18 -9.953 6.168 -0.593 1.00 0.00 C ATOM 275 C GLU A 18 -9.384 5.081 0.315 1.00 0.00 C ATOM 276 O GLU A 18 -8.607 5.363 1.222 1.00 0.00 O ATOM 277 CB GLU A 18 -11.387 6.510 -0.170 1.00 0.00 C ATOM 278 CG GLU A 18 -11.500 6.831 1.326 1.00 0.00 C ATOM 279 CD GLU A 18 -12.896 7.330 1.671 1.00 0.00 C ATOM 280 OE1 GLU A 18 -13.775 6.499 1.993 1.00 0.00 O ATOM 281 OE2 GLU A 18 -13.102 8.569 1.673 1.00 0.00 O ATOM 0 H GLU A 18 -10.906 5.718 -2.387 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.318 7.049 -0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.739 7.364 -0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.042 5.672 -0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.273 5.940 1.911 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.762 7.586 1.597 1.00 0.00 H new ATOM 288 N LYS A 19 -9.789 3.835 0.108 1.00 0.00 N ATOM 289 CA LYS A 19 -9.265 2.675 0.805 1.00 0.00 C ATOM 290 C LYS A 19 -9.537 1.494 -0.104 1.00 0.00 C ATOM 291 O LYS A 19 -10.567 1.486 -0.790 1.00 0.00 O ATOM 292 CB LYS A 19 -9.867 2.546 2.217 1.00 0.00 C ATOM 293 CG LYS A 19 -11.395 2.724 2.330 1.00 0.00 C ATOM 294 CD LYS A 19 -11.791 2.832 3.809 1.00 0.00 C ATOM 295 CE LYS A 19 -13.280 3.125 4.029 1.00 0.00 C ATOM 296 NZ LYS A 19 -13.631 4.554 3.878 1.00 0.00 N ATOM 0 H LYS A 19 -10.513 3.600 -0.571 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.194 2.749 0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.608 1.563 2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.389 3.284 2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.708 3.619 1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.905 1.879 1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.535 1.900 4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.202 3.620 4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.866 2.539 3.321 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.563 2.794 5.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.601 4.711 4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.971 5.134 4.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.568 4.823 2.875 1.00 0.00 H new ATOM 310 N ALA A 20 -8.616 0.540 -0.155 1.00 0.00 N ATOM 311 CA ALA A 20 -8.694 -0.571 -1.080 1.00 0.00 C ATOM 312 C ALA A 20 -8.210 -1.851 -0.424 1.00 0.00 C ATOM 313 O ALA A 20 -7.201 -1.851 0.280 1.00 0.00 O ATOM 314 CB ALA A 20 -7.839 -0.260 -2.312 1.00 0.00 C ATOM 0 H ALA A 20 -7.794 0.520 0.448 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.733 -0.713 -1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.894 -1.093 -3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.211 0.644 -2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.803 -0.109 -2.008 1.00 0.00 H new ATOM 320 N ASP A 21 -8.940 -2.934 -0.663 1.00 0.00 N ATOM 321 CA ASP A 21 -8.575 -4.279 -0.247 1.00 0.00 C ATOM 322 C ASP A 21 -7.870 -4.833 -1.477 1.00 0.00 C ATOM 323 O ASP A 21 -8.500 -4.923 -2.533 1.00 0.00 O ATOM 324 CB ASP A 21 -9.807 -5.145 0.049 1.00 0.00 C ATOM 325 CG ASP A 21 -10.442 -4.927 1.413 1.00 0.00 C ATOM 326 OD1 ASP A 21 -9.771 -5.116 2.449 1.00 0.00 O ATOM 327 OD2 ASP A 21 -11.675 -4.704 1.463 1.00 0.00 O ATOM 0 H ASP A 21 -9.827 -2.898 -1.166 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.978 -4.275 0.665 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.558 -4.954 -0.718 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.523 -6.194 -0.038 1.00 0.00 H new ATOM 332 N VAL A 22 -6.582 -5.147 -1.401 1.00 0.00 N ATOM 333 CA VAL A 22 -5.833 -5.646 -2.555 1.00 0.00 C ATOM 334 C VAL A 22 -5.240 -7.017 -2.241 1.00 0.00 C ATOM 335 O VAL A 22 -4.876 -7.285 -1.099 1.00 0.00 O ATOM 336 CB VAL A 22 -4.806 -4.600 -3.041 1.00 0.00 C ATOM 337 CG1 VAL A 22 -5.515 -3.329 -3.533 1.00 0.00 C ATOM 338 CG2 VAL A 22 -3.790 -4.196 -1.964 1.00 0.00 C ATOM 0 H VAL A 22 -6.029 -5.065 -0.548 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.506 -5.795 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.264 -5.083 -3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.773 -2.606 -3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.179 -3.580 -4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.097 -2.898 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.099 -3.459 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.315 -3.766 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.233 -5.075 -1.641 1.00 0.00 H new ATOM 348 N LEU A 23 -5.148 -7.894 -3.243 1.00 0.00 N ATOM 349 CA LEU A 23 -4.540 -9.218 -3.115 1.00 0.00 C ATOM 350 C LEU A 23 -3.276 -9.200 -3.953 1.00 0.00 C ATOM 351 O LEU A 23 -3.368 -8.864 -5.136 1.00 0.00 O ATOM 352 CB LEU A 23 -5.454 -10.353 -3.632 1.00 0.00 C ATOM 353 CG LEU A 23 -6.791 -10.615 -2.915 1.00 0.00 C ATOM 354 CD1 LEU A 23 -6.647 -10.574 -1.393 1.00 0.00 C ATOM 355 CD2 LEU A 23 -7.901 -9.657 -3.364 1.00 0.00 C ATOM 0 H LEU A 23 -5.500 -7.700 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.352 -9.416 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.676 -10.146 -4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.878 -11.278 -3.605 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.084 -11.624 -3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.616 -10.764 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.937 -11.337 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.286 -9.592 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.820 -9.888 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.604 -8.630 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.069 -9.771 -4.435 1.00 0.00 H new ATOM 367 N CYS A 24 -2.123 -9.549 -3.372 1.00 0.00 N ATOM 368 CA CYS A 24 -0.882 -9.683 -4.120 1.00 0.00 C ATOM 369 C CYS A 24 -0.644 -11.181 -4.405 1.00 0.00 C ATOM 370 O CYS A 24 -0.360 -11.916 -3.451 1.00 0.00 O ATOM 371 CB CYS A 24 0.288 -9.084 -3.316 1.00 0.00 C ATOM 372 SG CYS A 24 1.755 -8.603 -4.265 1.00 0.00 S ATOM 0 H CYS A 24 -2.031 -9.744 -2.375 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.949 -9.140 -5.063 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.078 -8.206 -2.784 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.592 -9.810 -2.562 1.00 0.00 H new ATOM 377 N PRO A 25 -0.869 -11.682 -5.637 1.00 0.00 N ATOM 378 CA PRO A 25 -0.536 -13.042 -6.016 1.00 0.00 C ATOM 379 C PRO A 25 0.901 -13.120 -6.509 1.00 0.00 C ATOM 380 O PRO A 25 1.318 -12.404 -7.422 1.00 0.00 O ATOM 381 CB PRO A 25 -1.475 -13.443 -7.128 1.00 0.00 C ATOM 382 CG PRO A 25 -1.807 -12.110 -7.801 1.00 0.00 C ATOM 383 CD PRO A 25 -1.644 -11.064 -6.695 1.00 0.00 C ATOM 0 HA PRO A 25 -0.636 -13.708 -5.159 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.003 -14.138 -7.822 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.369 -13.934 -6.743 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.136 -11.910 -8.637 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.821 -12.110 -8.200 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.138 -10.176 -7.075 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.616 -10.742 -6.323 1.00 0.00 H new ATOM 391 N GLY A 26 1.590 -14.125 -6.008 1.00 0.00 N ATOM 392 CA GLY A 26 3.017 -14.326 -6.217 1.00 0.00 C ATOM 393 C GLY A 26 3.760 -13.767 -5.010 1.00 0.00 C ATOM 394 O GLY A 26 3.177 -13.076 -4.172 1.00 0.00 O ATOM 0 H GLY A 26 1.164 -14.847 -5.427 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.237 -15.386 -6.341 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.342 -13.824 -7.129 1.00 0.00 H new ATOM 398 N GLY A 27 5.053 -14.064 -4.912 1.00 0.00 N ATOM 399 CA GLY A 27 5.829 -13.695 -3.743 1.00 0.00 C ATOM 400 C GLY A 27 6.230 -12.227 -3.689 1.00 0.00 C ATOM 401 O GLY A 27 6.634 -11.775 -2.620 1.00 0.00 O ATOM 0 H GLY A 27 5.581 -14.559 -5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.252 -13.934 -2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.731 -14.306 -3.713 1.00 0.00 H new ATOM 405 N CYS A 28 6.049 -11.496 -4.793 1.00 0.00 N ATOM 406 CA CYS A 28 6.465 -10.123 -5.051 1.00 0.00 C ATOM 407 C CYS A 28 7.879 -9.926 -4.481 1.00 0.00 C ATOM 408 O CYS A 28 8.051 -9.319 -3.420 1.00 0.00 O ATOM 409 CB CYS A 28 5.433 -9.114 -4.548 1.00 0.00 C ATOM 410 SG CYS A 28 5.631 -7.529 -5.404 1.00 0.00 S ATOM 0 H CYS A 28 5.563 -11.890 -5.599 1.00 0.00 H new ATOM 0 HA CYS A 28 6.515 -9.935 -6.124 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.427 -9.500 -4.712 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.548 -8.971 -3.474 1.00 0.00 H new ATOM 415 N PRO A 29 8.899 -10.468 -5.172 1.00 0.00 N ATOM 416 CA PRO A 29 10.260 -10.477 -4.673 1.00 0.00 C ATOM 417 C PRO A 29 10.871 -9.086 -4.558 1.00 0.00 C ATOM 418 O PRO A 29 10.431 -8.149 -5.230 1.00 0.00 O ATOM 419 CB PRO A 29 11.041 -11.388 -5.624 1.00 0.00 C ATOM 420 CG PRO A 29 10.277 -11.265 -6.941 1.00 0.00 C ATOM 421 CD PRO A 29 8.831 -11.091 -6.486 1.00 0.00 C ATOM 0 HA PRO A 29 10.292 -10.850 -3.649 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.077 -11.065 -5.729 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.062 -12.418 -5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.620 -10.413 -7.528 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.400 -12.152 -7.563 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.274 -10.468 -7.185 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.319 -12.052 -6.437 1.00 0.00 H new ATOM 429 N LEU A 30 11.939 -8.980 -3.752 1.00 0.00 N ATOM 430 CA LEU A 30 12.750 -7.771 -3.596 1.00 0.00 C ATOM 431 C LEU A 30 13.598 -7.603 -4.868 1.00 0.00 C ATOM 432 O LEU A 30 14.828 -7.659 -4.824 1.00 0.00 O ATOM 433 CB LEU A 30 13.679 -7.909 -2.361 1.00 0.00 C ATOM 434 CG LEU A 30 13.027 -8.111 -0.980 1.00 0.00 C ATOM 435 CD1 LEU A 30 14.107 -8.456 0.053 1.00 0.00 C ATOM 436 CD2 LEU A 30 12.301 -6.856 -0.497 1.00 0.00 C ATOM 0 H LEU A 30 12.268 -9.756 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 30 12.108 -6.903 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 30 14.348 -8.751 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.299 -7.014 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 30 12.303 -8.919 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.644 -8.599 1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.616 -9.373 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.830 -7.642 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.857 -7.046 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.011 -6.032 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.517 -6.594 -1.207 1.00 0.00 H new ATOM 448 N GLU A 31 12.947 -7.408 -6.006 1.00 0.00 N ATOM 449 CA GLU A 31 13.536 -7.302 -7.329 1.00 0.00 C ATOM 450 C GLU A 31 13.710 -5.824 -7.664 1.00 0.00 C ATOM 451 O GLU A 31 14.827 -5.319 -7.747 1.00 0.00 O ATOM 452 CB GLU A 31 12.636 -8.060 -8.314 1.00 0.00 C ATOM 453 CG GLU A 31 13.191 -8.068 -9.740 1.00 0.00 C ATOM 454 CD GLU A 31 12.226 -8.789 -10.676 1.00 0.00 C ATOM 455 OE1 GLU A 31 11.142 -8.238 -10.974 1.00 0.00 O ATOM 456 OE2 GLU A 31 12.523 -9.917 -11.125 1.00 0.00 O ATOM 0 H GLU A 31 11.932 -7.314 -6.029 1.00 0.00 H new ATOM 0 HA GLU A 31 14.526 -7.755 -7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.514 -9.087 -7.971 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.645 -7.605 -8.317 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.347 -7.045 -10.083 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.163 -8.561 -9.757 1.00 0.00 H new ATOM 463 N GLU A 32 12.600 -5.105 -7.814 1.00 0.00 N ATOM 464 CA GLU A 32 12.554 -3.695 -8.156 1.00 0.00 C ATOM 465 C GLU A 32 11.532 -3.052 -7.231 1.00 0.00 C ATOM 466 O GLU A 32 10.330 -3.155 -7.481 1.00 0.00 O ATOM 467 CB GLU A 32 12.116 -3.497 -9.615 1.00 0.00 C ATOM 468 CG GLU A 32 13.173 -3.781 -10.685 1.00 0.00 C ATOM 469 CD GLU A 32 12.601 -3.573 -12.093 1.00 0.00 C ATOM 470 OE1 GLU A 32 11.670 -2.747 -12.269 1.00 0.00 O ATOM 471 OE2 GLU A 32 13.109 -4.181 -13.059 1.00 0.00 O ATOM 0 H GLU A 32 11.672 -5.511 -7.694 1.00 0.00 H new ATOM 0 HA GLU A 32 13.541 -3.247 -8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.256 -4.140 -9.804 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.777 -2.468 -9.734 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.031 -3.125 -10.537 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.533 -4.805 -10.583 1.00 0.00 H new ATOM 478 N PHE A 33 11.986 -2.411 -6.157 1.00 0.00 N ATOM 479 CA PHE A 33 11.126 -1.647 -5.268 1.00 0.00 C ATOM 480 C PHE A 33 11.741 -0.272 -5.074 1.00 0.00 C ATOM 481 O PHE A 33 12.829 -0.149 -4.511 1.00 0.00 O ATOM 482 CB PHE A 33 10.887 -2.360 -3.930 1.00 0.00 C ATOM 483 CG PHE A 33 10.035 -3.616 -3.979 1.00 0.00 C ATOM 484 CD1 PHE A 33 8.900 -3.696 -4.813 1.00 0.00 C ATOM 485 CD2 PHE A 33 10.362 -4.707 -3.151 1.00 0.00 C ATOM 486 CE1 PHE A 33 8.144 -4.876 -4.863 1.00 0.00 C ATOM 487 CE2 PHE A 33 9.569 -5.867 -3.165 1.00 0.00 C ATOM 488 CZ PHE A 33 8.473 -5.955 -4.030 1.00 0.00 C ATOM 0 H PHE A 33 12.968 -2.409 -5.880 1.00 0.00 H new ATOM 0 HA PHE A 33 10.140 -1.548 -5.723 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.856 -2.620 -3.503 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.417 -1.654 -3.246 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.613 -2.846 -5.414 1.00 0.00 H new ATOM 0 HD2 PHE A 33 11.225 -4.652 -2.503 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.309 -4.954 -5.543 1.00 0.00 H new ATOM 0 HE2 PHE A 33 9.806 -6.691 -2.508 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.879 -6.856 -4.056 1.00 0.00 H new ATOM 498 N SER A 34 11.048 0.752 -5.559 1.00 0.00 N ATOM 499 CA SER A 34 11.395 2.141 -5.364 1.00 0.00 C ATOM 500 C SER A 34 10.207 2.674 -4.576 1.00 0.00 C ATOM 501 O SER A 34 9.080 2.745 -5.085 1.00 0.00 O ATOM 502 CB SER A 34 11.598 2.781 -6.743 1.00 0.00 C ATOM 503 OG SER A 34 12.199 4.059 -6.674 1.00 0.00 O ATOM 0 H SER A 34 10.203 0.626 -6.116 1.00 0.00 H new ATOM 0 HA SER A 34 12.321 2.343 -4.826 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.219 2.126 -7.354 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.634 2.865 -7.244 1.00 0.00 H new ATOM 0 HG SER A 34 12.287 4.329 -5.736 1.00 0.00 H new ATOM 509 N VAL A 35 10.450 3.047 -3.325 1.00 0.00 N ATOM 510 CA VAL A 35 9.411 3.451 -2.394 1.00 0.00 C ATOM 511 C VAL A 35 9.671 4.913 -2.063 1.00 0.00 C ATOM 512 O VAL A 35 10.806 5.393 -2.158 1.00 0.00 O ATOM 513 CB VAL A 35 9.397 2.464 -1.209 1.00 0.00 C ATOM 514 CG1 VAL A 35 8.312 2.779 -0.182 1.00 0.00 C ATOM 515 CG2 VAL A 35 9.105 1.041 -1.718 1.00 0.00 C ATOM 0 H VAL A 35 11.388 3.077 -2.926 1.00 0.00 H new ATOM 0 HA VAL A 35 8.398 3.402 -2.792 1.00 0.00 H new ATOM 0 HB VAL A 35 10.377 2.550 -0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.354 2.049 0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.473 3.778 0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.334 2.734 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.096 0.348 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.134 1.024 -2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.878 0.742 -2.426 1.00 0.00 H new ATOM 525 N TYR A 36 8.623 5.641 -1.689 1.00 0.00 N ATOM 526 CA TYR A 36 8.724 7.068 -1.489 1.00 0.00 C ATOM 527 C TYR A 36 7.970 7.491 -0.237 1.00 0.00 C ATOM 528 O TYR A 36 6.741 7.442 -0.226 1.00 0.00 O ATOM 529 CB TYR A 36 8.218 7.767 -2.751 1.00 0.00 C ATOM 530 CG TYR A 36 9.032 7.522 -4.008 1.00 0.00 C ATOM 531 CD1 TYR A 36 8.884 6.329 -4.743 1.00 0.00 C ATOM 532 CD2 TYR A 36 9.962 8.490 -4.429 1.00 0.00 C ATOM 533 CE1 TYR A 36 9.710 6.074 -5.849 1.00 0.00 C ATOM 534 CE2 TYR A 36 10.778 8.252 -5.545 1.00 0.00 C ATOM 535 CZ TYR A 36 10.676 7.028 -6.238 1.00 0.00 C ATOM 536 OH TYR A 36 11.486 6.782 -7.302 1.00 0.00 O ATOM 0 H TYR A 36 7.694 5.256 -1.520 1.00 0.00 H new ATOM 0 HA TYR A 36 9.761 7.360 -1.326 1.00 0.00 H new ATOM 0 HB2 TYR A 36 7.193 7.447 -2.936 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.188 8.840 -2.563 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.133 5.609 -4.455 1.00 0.00 H new ATOM 0 HD2 TYR A 36 10.048 9.422 -3.890 1.00 0.00 H new ATOM 0 HE1 TYR A 36 9.607 5.151 -6.401 1.00 0.00 H new ATOM 0 HE2 TYR A 36 11.482 9.003 -5.872 1.00 0.00 H new ATOM 0 HH TYR A 36 11.818 5.861 -7.255 1.00 0.00 H new ATOM 546 N GLY A 37 8.716 7.896 0.794 1.00 0.00 N ATOM 547 CA GLY A 37 8.208 8.287 2.100 1.00 0.00 C ATOM 548 C GLY A 37 8.000 7.065 2.992 1.00 0.00 C ATOM 549 O GLY A 37 7.608 6.010 2.485 1.00 0.00 O ATOM 0 H GLY A 37 9.732 7.961 0.733 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.907 8.975 2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.265 8.821 1.983 1.00 0.00 H new ATOM 553 N ASN A 38 8.326 7.165 4.290 1.00 0.00 N ATOM 554 CA ASN A 38 8.043 6.107 5.273 1.00 0.00 C ATOM 555 C ASN A 38 6.727 6.492 5.969 1.00 0.00 C ATOM 556 O ASN A 38 6.500 7.689 6.184 1.00 0.00 O ATOM 557 CB ASN A 38 9.181 5.904 6.277 1.00 0.00 C ATOM 558 CG ASN A 38 9.169 6.899 7.424 1.00 0.00 C ATOM 559 OD1 ASN A 38 9.454 8.081 7.255 1.00 0.00 O ATOM 560 ND2 ASN A 38 8.841 6.422 8.614 1.00 0.00 N ATOM 0 H ASN A 38 8.793 7.980 4.688 1.00 0.00 H new ATOM 0 HA ASN A 38 7.951 5.146 4.767 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.119 4.894 6.683 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.134 5.979 5.753 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.820 7.042 9.424 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.609 5.434 8.721 1.00 0.00 H new ATOM 567 N ILE A 39 5.925 5.512 6.411 1.00 0.00 N ATOM 568 CA ILE A 39 4.569 5.648 6.964 1.00 0.00 C ATOM 569 C ILE A 39 3.630 6.183 5.868 1.00 0.00 C ATOM 570 O ILE A 39 2.636 5.528 5.543 1.00 0.00 O ATOM 571 CB ILE A 39 4.516 6.399 8.325 1.00 0.00 C ATOM 572 CG1 ILE A 39 4.874 5.444 9.481 1.00 0.00 C ATOM 573 CG2 ILE A 39 3.167 7.089 8.612 1.00 0.00 C ATOM 574 CD1 ILE A 39 3.767 4.426 9.794 1.00 0.00 C ATOM 0 H ILE A 39 6.227 4.538 6.390 1.00 0.00 H new ATOM 0 HA ILE A 39 4.198 4.663 7.248 1.00 0.00 H new ATOM 0 HB ILE A 39 5.256 7.196 8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.790 4.909 9.230 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.082 6.030 10.376 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.213 7.589 9.579 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.961 7.823 7.833 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.373 6.343 8.627 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.084 3.785 10.617 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.856 4.954 10.075 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.574 3.815 8.912 1.00 0.00 H new ATOM 586 N VAL A 40 3.928 7.360 5.321 1.00 0.00 N ATOM 587 CA VAL A 40 3.270 7.986 4.199 1.00 0.00 C ATOM 588 C VAL A 40 3.967 7.518 2.929 1.00 0.00 C ATOM 589 O VAL A 40 5.037 8.029 2.588 1.00 0.00 O ATOM 590 CB VAL A 40 3.361 9.516 4.322 1.00 0.00 C ATOM 591 CG1 VAL A 40 2.734 10.173 3.089 1.00 0.00 C ATOM 592 CG2 VAL A 40 2.630 9.990 5.571 1.00 0.00 C ATOM 0 H VAL A 40 4.690 7.933 5.683 1.00 0.00 H new ATOM 0 HA VAL A 40 2.216 7.711 4.174 1.00 0.00 H new ATOM 0 HB VAL A 40 4.411 9.798 4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.801 11.257 3.181 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.267 9.851 2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.687 9.879 3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.703 11.075 5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.581 9.700 5.511 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.082 9.535 6.452 1.00 0.00 H new ATOM 602 N TYR A 41 3.368 6.555 2.238 1.00 0.00 N ATOM 603 CA TYR A 41 3.828 6.098 0.947 1.00 0.00 C ATOM 604 C TYR A 41 3.185 7.035 -0.059 1.00 0.00 C ATOM 605 O TYR A 41 1.957 7.096 -0.149 1.00 0.00 O ATOM 606 CB TYR A 41 3.394 4.646 0.686 1.00 0.00 C ATOM 607 CG TYR A 41 4.073 3.653 1.603 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.451 3.414 1.470 1.00 0.00 C ATOM 609 CD2 TYR A 41 3.374 3.101 2.691 1.00 0.00 C ATOM 610 CE1 TYR A 41 6.140 2.669 2.444 1.00 0.00 C ATOM 611 CE2 TYR A 41 4.057 2.360 3.672 1.00 0.00 C ATOM 612 CZ TYR A 41 5.451 2.164 3.568 1.00 0.00 C ATOM 613 OH TYR A 41 6.138 1.631 4.611 1.00 0.00 O ATOM 0 H TYR A 41 2.537 6.067 2.571 1.00 0.00 H new ATOM 0 HA TYR A 41 4.916 6.109 0.882 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.314 4.567 0.810 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.616 4.387 -0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.984 3.804 0.616 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.307 3.247 2.774 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.198 2.483 2.332 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.514 1.940 4.506 1.00 0.00 H new ATOM 0 HH TYR A 41 7.088 1.855 4.526 1.00 0.00 H new ATOM 623 N ALA A 42 3.970 7.841 -0.772 1.00 0.00 N ATOM 624 CA ALA A 42 3.381 8.632 -1.840 1.00 0.00 C ATOM 625 C ALA A 42 2.873 7.636 -2.881 1.00 0.00 C ATOM 626 O ALA A 42 3.440 6.544 -3.029 1.00 0.00 O ATOM 627 CB ALA A 42 4.388 9.593 -2.444 1.00 0.00 C ATOM 0 H ALA A 42 4.974 7.959 -0.636 1.00 0.00 H new ATOM 0 HA ALA A 42 2.569 9.252 -1.460 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.912 10.167 -3.239 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.750 10.273 -1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.226 9.031 -2.855 1.00 0.00 H new ATOM 633 N SER A 43 1.859 8.050 -3.638 1.00 0.00 N ATOM 634 CA SER A 43 1.128 7.233 -4.597 1.00 0.00 C ATOM 635 C SER A 43 2.047 6.391 -5.499 1.00 0.00 C ATOM 636 O SER A 43 1.741 5.236 -5.785 1.00 0.00 O ATOM 637 CB SER A 43 0.223 8.186 -5.387 1.00 0.00 C ATOM 638 OG SER A 43 -0.856 7.526 -5.990 1.00 0.00 O ATOM 0 H SER A 43 1.511 9.008 -3.596 1.00 0.00 H new ATOM 0 HA SER A 43 0.529 6.486 -4.076 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.156 8.959 -4.719 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.812 8.688 -6.154 1.00 0.00 H new ATOM 0 HG SER A 43 -1.689 7.996 -5.775 1.00 0.00 H new ATOM 644 N VAL A 44 3.193 6.923 -5.926 1.00 0.00 N ATOM 645 CA VAL A 44 4.112 6.247 -6.839 1.00 0.00 C ATOM 646 C VAL A 44 4.742 4.963 -6.269 1.00 0.00 C ATOM 647 O VAL A 44 5.270 4.158 -7.037 1.00 0.00 O ATOM 648 CB VAL A 44 5.130 7.295 -7.333 1.00 0.00 C ATOM 649 CG1 VAL A 44 5.979 7.894 -6.201 1.00 0.00 C ATOM 650 CG2 VAL A 44 6.016 6.786 -8.472 1.00 0.00 C ATOM 0 H VAL A 44 3.512 7.849 -5.642 1.00 0.00 H new ATOM 0 HA VAL A 44 3.556 5.858 -7.692 1.00 0.00 H new ATOM 0 HB VAL A 44 4.519 8.102 -7.738 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.675 8.624 -6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.327 8.384 -5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.538 7.100 -5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.709 7.572 -8.773 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.578 5.915 -8.134 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.392 6.508 -9.322 1.00 0.00 H new ATOM 660 N SER A 45 4.687 4.729 -4.958 1.00 0.00 N ATOM 661 CA SER A 45 5.223 3.520 -4.344 1.00 0.00 C ATOM 662 C SER A 45 4.441 2.277 -4.798 1.00 0.00 C ATOM 663 O SER A 45 3.214 2.332 -4.935 1.00 0.00 O ATOM 664 CB SER A 45 5.142 3.654 -2.818 1.00 0.00 C ATOM 665 OG SER A 45 5.727 4.871 -2.377 1.00 0.00 O ATOM 0 H SER A 45 4.267 5.377 -4.291 1.00 0.00 H new ATOM 0 HA SER A 45 6.261 3.400 -4.655 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.100 3.613 -2.502 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.651 2.812 -2.349 1.00 0.00 H new ATOM 0 HG SER A 45 5.088 5.604 -2.499 1.00 0.00 H new ATOM 671 N SER A 46 5.142 1.160 -5.027 1.00 0.00 N ATOM 672 CA SER A 46 4.513 -0.125 -5.323 1.00 0.00 C ATOM 673 C SER A 46 3.654 -0.509 -4.119 1.00 0.00 C ATOM 674 O SER A 46 4.002 -0.183 -2.982 1.00 0.00 O ATOM 675 CB SER A 46 5.592 -1.181 -5.605 1.00 0.00 C ATOM 676 OG SER A 46 5.073 -2.496 -5.652 1.00 0.00 O ATOM 0 H SER A 46 6.161 1.126 -5.011 1.00 0.00 H new ATOM 0 HA SER A 46 3.885 -0.060 -6.211 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.078 -0.953 -6.554 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.359 -1.125 -4.833 1.00 0.00 H new ATOM 0 HG SER A 46 5.799 -3.128 -5.836 1.00 0.00 H new ATOM 682 N ILE A 47 2.559 -1.231 -4.349 1.00 0.00 N ATOM 683 CA ILE A 47 1.727 -1.773 -3.283 1.00 0.00 C ATOM 684 C ILE A 47 2.575 -2.788 -2.504 1.00 0.00 C ATOM 685 O ILE A 47 2.549 -2.769 -1.273 1.00 0.00 O ATOM 686 CB ILE A 47 0.434 -2.378 -3.889 1.00 0.00 C ATOM 687 CG1 ILE A 47 -0.477 -1.232 -4.397 1.00 0.00 C ATOM 688 CG2 ILE A 47 -0.333 -3.264 -2.890 1.00 0.00 C ATOM 689 CD1 ILE A 47 -1.696 -1.699 -5.202 1.00 0.00 C ATOM 0 H ILE A 47 2.224 -1.456 -5.286 1.00 0.00 H new ATOM 0 HA ILE A 47 1.398 -1.003 -2.586 1.00 0.00 H new ATOM 0 HB ILE A 47 0.728 -3.023 -4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.823 -0.653 -3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.117 -0.560 -5.017 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.229 -3.660 -3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.304 -4.089 -2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.618 -2.670 -2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.277 -0.833 -5.518 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.362 -2.251 -6.080 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.316 -2.345 -4.581 1.00 0.00 H new ATOM 701 N CYS A 48 3.357 -3.631 -3.197 1.00 0.00 N ATOM 702 CA CYS A 48 4.276 -4.545 -2.532 1.00 0.00 C ATOM 703 C CYS A 48 5.333 -3.746 -1.792 1.00 0.00 C ATOM 704 O CYS A 48 5.523 -3.959 -0.601 1.00 0.00 O ATOM 705 CB CYS A 48 5.031 -5.436 -3.507 1.00 0.00 C ATOM 706 SG CYS A 48 4.120 -6.352 -4.739 1.00 0.00 S ATOM 0 H CYS A 48 3.365 -3.692 -4.215 1.00 0.00 H new ATOM 0 HA CYS A 48 3.667 -5.161 -1.871 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.753 -4.810 -4.032 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.601 -6.155 -2.919 1.00 0.00 H new ATOM 711 N GLY A 49 6.020 -2.844 -2.504 1.00 0.00 N ATOM 712 CA GLY A 49 7.123 -2.073 -1.954 1.00 0.00 C ATOM 713 C GLY A 49 6.691 -1.395 -0.661 1.00 0.00 C ATOM 714 O GLY A 49 7.392 -1.488 0.339 1.00 0.00 O ATOM 0 H GLY A 49 5.819 -2.633 -3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.975 -2.726 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.449 -1.324 -2.676 1.00 0.00 H new ATOM 718 N ALA A 50 5.512 -0.772 -0.664 1.00 0.00 N ATOM 719 CA ALA A 50 4.902 -0.179 0.507 1.00 0.00 C ATOM 720 C ALA A 50 4.650 -1.220 1.602 1.00 0.00 C ATOM 721 O ALA A 50 5.062 -1.002 2.732 1.00 0.00 O ATOM 722 CB ALA A 50 3.607 0.531 0.101 1.00 0.00 C ATOM 0 H ALA A 50 4.947 -0.668 -1.507 1.00 0.00 H new ATOM 0 HA ALA A 50 5.591 0.554 0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.146 0.978 0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.832 1.311 -0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.920 -0.190 -0.341 1.00 0.00 H new ATOM 728 N ALA A 51 3.958 -2.328 1.315 1.00 0.00 N ATOM 729 CA ALA A 51 3.567 -3.306 2.333 1.00 0.00 C ATOM 730 C ALA A 51 4.775 -4.000 2.976 1.00 0.00 C ATOM 731 O ALA A 51 4.793 -4.222 4.190 1.00 0.00 O ATOM 732 CB ALA A 51 2.606 -4.320 1.706 1.00 0.00 C ATOM 0 H ALA A 51 3.654 -2.571 0.372 1.00 0.00 H new ATOM 0 HA ALA A 51 3.063 -2.778 3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.309 -5.052 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.722 -3.802 1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.102 -4.828 0.879 1.00 0.00 H new ATOM 738 N VAL A 52 5.765 -4.374 2.169 1.00 0.00 N ATOM 739 CA VAL A 52 7.027 -4.932 2.627 1.00 0.00 C ATOM 740 C VAL A 52 7.808 -3.862 3.407 1.00 0.00 C ATOM 741 O VAL A 52 8.333 -4.164 4.474 1.00 0.00 O ATOM 742 CB VAL A 52 7.799 -5.548 1.437 1.00 0.00 C ATOM 743 CG1 VAL A 52 9.081 -6.237 1.914 1.00 0.00 C ATOM 744 CG2 VAL A 52 6.987 -6.629 0.698 1.00 0.00 C ATOM 0 H VAL A 52 5.707 -4.294 1.154 1.00 0.00 H new ATOM 0 HA VAL A 52 6.859 -5.754 3.323 1.00 0.00 H new ATOM 0 HB VAL A 52 8.009 -4.712 0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.606 -6.662 1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.723 -5.508 2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.828 -7.032 2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.577 -7.027 -0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.741 -7.435 1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.068 -6.191 0.309 1.00 0.00 H new ATOM 754 N HIS A 53 7.870 -2.604 2.951 1.00 0.00 N ATOM 755 CA HIS A 53 8.553 -1.529 3.684 1.00 0.00 C ATOM 756 C HIS A 53 7.857 -1.212 5.014 1.00 0.00 C ATOM 757 O HIS A 53 8.509 -0.899 6.013 1.00 0.00 O ATOM 758 CB HIS A 53 8.654 -0.282 2.804 1.00 0.00 C ATOM 759 CG HIS A 53 9.469 0.810 3.433 1.00 0.00 C ATOM 760 ND1 HIS A 53 8.974 1.880 4.179 1.00 0.00 N ATOM 761 CD2 HIS A 53 10.826 0.885 3.373 1.00 0.00 C ATOM 762 CE1 HIS A 53 10.060 2.582 4.543 1.00 0.00 C ATOM 763 NE2 HIS A 53 11.182 2.006 4.080 1.00 0.00 N ATOM 0 H HIS A 53 7.452 -2.304 2.070 1.00 0.00 H new ATOM 0 HA HIS A 53 9.559 -1.871 3.928 1.00 0.00 H new ATOM 0 HB2 HIS A 53 9.097 -0.554 1.846 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.652 0.093 2.596 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.491 0.199 2.869 1.00 0.00 H new ATOM 0 HE1 HIS A 53 10.035 3.488 5.130 1.00 0.00 H new ATOM 0 HE2 HIS A 53 12.133 2.343 4.228 1.00 0.00 H new ATOM 771 N ARG A 54 6.526 -1.317 5.058 1.00 0.00 N ATOM 772 CA ARG A 54 5.725 -1.180 6.274 1.00 0.00 C ATOM 773 C ARG A 54 6.101 -2.301 7.251 1.00 0.00 C ATOM 774 O ARG A 54 5.903 -2.165 8.458 1.00 0.00 O ATOM 775 CB ARG A 54 4.226 -1.136 5.915 1.00 0.00 C ATOM 776 CG ARG A 54 3.324 -0.677 7.073 1.00 0.00 C ATOM 777 CD ARG A 54 3.392 0.840 7.307 1.00 0.00 C ATOM 778 NE ARG A 54 2.936 1.188 8.655 1.00 0.00 N ATOM 779 CZ ARG A 54 1.741 1.620 9.063 1.00 0.00 C ATOM 780 NH1 ARG A 54 0.692 1.668 8.254 1.00 0.00 N ATOM 781 NH2 ARG A 54 1.639 2.035 10.317 1.00 0.00 N ATOM 0 H ARG A 54 5.963 -1.504 4.228 1.00 0.00 H new ATOM 0 HA ARG A 54 5.937 -0.238 6.780 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.084 -0.465 5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.910 -2.128 5.592 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.294 -0.963 6.862 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.618 -1.196 7.986 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.415 1.187 7.165 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.776 1.353 6.568 1.00 0.00 H new ATOM 0 HE ARG A 54 3.635 1.085 9.390 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.783 1.369 7.283 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.206 2.004 8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.455 2.016 10.928 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.744 2.374 10.671 1.00 0.00 H new ATOM 795 N GLY A 55 6.638 -3.407 6.732 1.00 0.00 N ATOM 796 CA GLY A 55 7.167 -4.503 7.507 1.00 0.00 C ATOM 797 C GLY A 55 6.043 -5.363 8.047 1.00 0.00 C ATOM 798 O GLY A 55 6.027 -5.625 9.254 1.00 0.00 O ATOM 0 H GLY A 55 6.713 -3.558 5.726 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.830 -5.107 6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.766 -4.117 8.332 1.00 0.00 H new ATOM 802 N VAL A 56 5.074 -5.730 7.197 1.00 0.00 N ATOM 803 CA VAL A 56 3.884 -6.457 7.635 1.00 0.00 C ATOM 804 C VAL A 56 3.701 -7.742 6.811 1.00 0.00 C ATOM 805 O VAL A 56 3.437 -8.795 7.395 1.00 0.00 O ATOM 806 CB VAL A 56 2.640 -5.538 7.619 1.00 0.00 C ATOM 807 CG1 VAL A 56 1.563 -6.103 8.551 1.00 0.00 C ATOM 808 CG2 VAL A 56 2.919 -4.084 8.028 1.00 0.00 C ATOM 0 H VAL A 56 5.096 -5.532 6.197 1.00 0.00 H new ATOM 0 HA VAL A 56 4.018 -6.770 8.670 1.00 0.00 H new ATOM 0 HB VAL A 56 2.308 -5.519 6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.690 -5.451 8.535 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.278 -7.100 8.215 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.954 -6.160 9.567 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.993 -3.511 7.989 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.317 -4.061 9.042 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.646 -3.646 7.343 1.00 0.00 H new ATOM 818 N ILE A 57 3.860 -7.701 5.478 1.00 0.00 N ATOM 819 CA ILE A 57 3.825 -8.921 4.661 1.00 0.00 C ATOM 820 C ILE A 57 5.256 -9.425 4.470 1.00 0.00 C ATOM 821 O ILE A 57 6.215 -8.657 4.592 1.00 0.00 O ATOM 822 CB ILE A 57 3.074 -8.733 3.316 1.00 0.00 C ATOM 823 CG1 ILE A 57 3.770 -7.796 2.304 1.00 0.00 C ATOM 824 CG2 ILE A 57 1.627 -8.292 3.594 1.00 0.00 C ATOM 825 CD1 ILE A 57 3.127 -7.818 0.903 1.00 0.00 C ATOM 0 H ILE A 57 4.013 -6.843 4.948 1.00 0.00 H new ATOM 0 HA ILE A 57 3.246 -9.678 5.191 1.00 0.00 H new ATOM 0 HB ILE A 57 3.082 -9.705 2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.747 -6.777 2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.819 -8.081 2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.099 -8.160 2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.122 -9.054 4.188 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.633 -7.349 4.141 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.666 -7.137 0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.174 -8.829 0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.086 -7.504 0.976 1.00 0.00 H new ATOM 837 N SER A 58 5.399 -10.716 4.188 1.00 0.00 N ATOM 838 CA SER A 58 6.677 -11.331 3.846 1.00 0.00 C ATOM 839 C SER A 58 6.778 -11.353 2.317 1.00 0.00 C ATOM 840 O SER A 58 5.813 -10.995 1.627 1.00 0.00 O ATOM 841 CB SER A 58 6.726 -12.773 4.374 1.00 0.00 C ATOM 842 OG SER A 58 6.123 -12.902 5.652 1.00 0.00 O ATOM 0 H SER A 58 4.619 -11.374 4.191 1.00 0.00 H new ATOM 0 HA SER A 58 7.499 -10.770 4.289 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.221 -13.433 3.669 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.764 -13.101 4.430 1.00 0.00 H new ATOM 0 HG SER A 58 6.176 -13.835 5.946 1.00 0.00 H new ATOM 848 N ASN A 59 7.912 -11.803 1.770 1.00 0.00 N ATOM 849 CA ASN A 59 8.052 -11.998 0.327 1.00 0.00 C ATOM 850 C ASN A 59 7.298 -13.308 0.030 1.00 0.00 C ATOM 851 O ASN A 59 7.894 -14.355 -0.225 1.00 0.00 O ATOM 852 CB ASN A 59 9.572 -12.103 0.060 1.00 0.00 C ATOM 853 CG ASN A 59 10.050 -12.285 -1.380 1.00 0.00 C ATOM 854 OD1 ASN A 59 11.081 -11.717 -1.735 1.00 0.00 O ATOM 855 ND2 ASN A 59 9.423 -13.112 -2.197 1.00 0.00 N ATOM 0 H ASN A 59 8.746 -12.039 2.307 1.00 0.00 H new ATOM 0 HA ASN A 59 7.650 -11.204 -0.302 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.040 -11.201 0.453 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.954 -12.940 0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.794 -13.284 -3.132 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.568 -13.579 -1.893 1.00 0.00 H new ATOM 862 N SER A 60 5.968 -13.257 0.088 1.00 0.00 N ATOM 863 CA SER A 60 5.039 -14.313 -0.270 1.00 0.00 C ATOM 864 C SER A 60 3.725 -13.763 -0.853 1.00 0.00 C ATOM 865 O SER A 60 2.942 -14.540 -1.403 1.00 0.00 O ATOM 866 CB SER A 60 4.826 -15.269 0.913 1.00 0.00 C ATOM 867 OG SER A 60 4.321 -16.512 0.448 1.00 0.00 O ATOM 0 H SER A 60 5.485 -12.418 0.409 1.00 0.00 H new ATOM 0 HA SER A 60 5.484 -14.897 -1.076 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.767 -15.424 1.440 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.130 -14.828 1.627 1.00 0.00 H new ATOM 0 HG SER A 60 3.755 -16.362 -0.338 1.00 0.00 H new ATOM 873 N GLY A 61 3.448 -12.459 -0.715 1.00 0.00 N ATOM 874 CA GLY A 61 2.164 -11.911 -1.127 1.00 0.00 C ATOM 875 C GLY A 61 1.077 -12.275 -0.109 1.00 0.00 C ATOM 876 O GLY A 61 1.369 -12.785 0.983 1.00 0.00 O ATOM 0 H GLY A 61 4.095 -11.775 -0.324 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.237 -10.827 -1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.895 -12.297 -2.110 1.00 0.00 H new ATOM 880 N GLY A 62 -0.176 -11.950 -0.430 1.00 0.00 N ATOM 881 CA GLY A 62 -1.340 -12.110 0.439 1.00 0.00 C ATOM 882 C GLY A 62 -2.283 -10.908 0.351 1.00 0.00 C ATOM 883 O GLY A 62 -2.023 -9.995 -0.444 1.00 0.00 O ATOM 0 H GLY A 62 -0.416 -11.553 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.879 -13.016 0.162 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.009 -12.238 1.470 1.00 0.00 H new ATOM 887 N PRO A 63 -3.403 -10.908 1.093 1.00 0.00 N ATOM 888 CA PRO A 63 -4.290 -9.756 1.187 1.00 0.00 C ATOM 889 C PRO A 63 -3.554 -8.577 1.829 1.00 0.00 C ATOM 890 O PRO A 63 -2.634 -8.781 2.621 1.00 0.00 O ATOM 891 CB PRO A 63 -5.465 -10.194 2.074 1.00 0.00 C ATOM 892 CG PRO A 63 -5.424 -11.719 2.022 1.00 0.00 C ATOM 893 CD PRO A 63 -3.936 -12.021 1.856 1.00 0.00 C ATOM 0 HA PRO A 63 -4.632 -9.434 0.204 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.353 -9.827 3.094 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.413 -9.808 1.699 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.826 -12.164 2.932 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.010 -12.110 1.190 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.442 -12.107 2.824 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.782 -12.965 1.334 1.00 0.00 H new ATOM 901 N VAL A 64 -3.983 -7.353 1.535 1.00 0.00 N ATOM 902 CA VAL A 64 -3.490 -6.117 2.125 1.00 0.00 C ATOM 903 C VAL A 64 -4.654 -5.118 2.123 1.00 0.00 C ATOM 904 O VAL A 64 -5.542 -5.211 1.271 1.00 0.00 O ATOM 905 CB VAL A 64 -2.290 -5.564 1.310 1.00 0.00 C ATOM 906 CG1 VAL A 64 -1.449 -4.600 2.141 1.00 0.00 C ATOM 907 CG2 VAL A 64 -1.314 -6.600 0.731 1.00 0.00 C ATOM 0 H VAL A 64 -4.718 -7.191 0.847 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.136 -6.290 3.141 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.791 -5.081 0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.617 -4.232 1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.066 -3.760 2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.061 -5.118 3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.522 -6.088 0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.877 -7.182 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.849 -7.266 0.054 1.00 0.00 H new ATOM 917 N ARG A 65 -4.654 -4.133 3.027 1.00 0.00 N ATOM 918 CA ARG A 65 -5.636 -3.055 3.039 1.00 0.00 C ATOM 919 C ARG A 65 -4.898 -1.725 3.009 1.00 0.00 C ATOM 920 O ARG A 65 -4.229 -1.348 3.976 1.00 0.00 O ATOM 921 CB ARG A 65 -6.615 -3.190 4.213 1.00 0.00 C ATOM 922 CG ARG A 65 -7.694 -2.098 4.111 1.00 0.00 C ATOM 923 CD ARG A 65 -8.846 -2.314 5.095 1.00 0.00 C ATOM 924 NE ARG A 65 -9.739 -3.395 4.653 1.00 0.00 N ATOM 925 CZ ARG A 65 -10.980 -3.616 5.092 1.00 0.00 C ATOM 926 NH1 ARG A 65 -11.497 -2.882 6.068 1.00 0.00 N ATOM 927 NH2 ARG A 65 -11.690 -4.578 4.527 1.00 0.00 N ATOM 0 H ARG A 65 -3.964 -4.065 3.776 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.264 -3.112 2.150 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -7.079 -4.176 4.202 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.080 -3.100 5.158 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.239 -1.125 4.298 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.088 -2.076 3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.444 -2.553 6.080 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.415 -1.390 5.198 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.377 -4.035 3.946 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.945 -2.137 6.493 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.447 -3.062 6.393 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.287 -5.133 3.772 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -12.641 -4.765 4.846 1.00 0.00 H new ATOM 941 N VAL A 66 -4.982 -1.047 1.872 1.00 0.00 N ATOM 942 CA VAL A 66 -4.458 0.295 1.664 1.00 0.00 C ATOM 943 C VAL A 66 -5.501 1.303 2.165 1.00 0.00 C ATOM 944 O VAL A 66 -6.704 1.087 1.992 1.00 0.00 O ATOM 945 CB VAL A 66 -4.161 0.471 0.156 1.00 0.00 C ATOM 946 CG1 VAL A 66 -3.728 1.899 -0.206 1.00 0.00 C ATOM 947 CG2 VAL A 66 -3.056 -0.497 -0.308 1.00 0.00 C ATOM 0 H VAL A 66 -5.433 -1.430 1.041 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.533 0.460 2.216 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.100 0.253 -0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.534 1.960 -1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.521 2.598 0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.821 2.154 0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.868 -0.351 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.142 -0.301 0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.375 -1.524 -0.133 1.00 0.00 H new ATOM 957 N TYR A 67 -5.034 2.416 2.733 1.00 0.00 N ATOM 958 CA TYR A 67 -5.804 3.574 3.169 1.00 0.00 C ATOM 959 C TYR A 67 -5.163 4.836 2.609 1.00 0.00 C ATOM 960 O TYR A 67 -3.943 4.990 2.661 1.00 0.00 O ATOM 961 CB TYR A 67 -5.868 3.653 4.698 1.00 0.00 C ATOM 962 CG TYR A 67 -6.922 2.764 5.317 1.00 0.00 C ATOM 963 CD1 TYR A 67 -8.209 3.296 5.494 1.00 0.00 C ATOM 964 CD2 TYR A 67 -6.641 1.451 5.738 1.00 0.00 C ATOM 965 CE1 TYR A 67 -9.217 2.536 6.097 1.00 0.00 C ATOM 966 CE2 TYR A 67 -7.650 0.680 6.348 1.00 0.00 C ATOM 967 CZ TYR A 67 -8.949 1.217 6.513 1.00 0.00 C ATOM 968 OH TYR A 67 -9.941 0.477 7.080 1.00 0.00 O ATOM 0 H TYR A 67 -4.037 2.537 2.911 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.824 3.477 2.797 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.894 3.383 5.106 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.061 4.685 4.990 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.423 4.301 5.162 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.655 1.036 5.594 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.199 2.960 6.243 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.432 -0.321 6.690 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.596 -0.411 7.311 1.00 0.00 H new ATOM 978 N SER A 68 -5.982 5.735 2.065 1.00 0.00 N ATOM 979 CA SER A 68 -5.550 7.039 1.594 1.00 0.00 C ATOM 980 C SER A 68 -4.951 7.845 2.741 1.00 0.00 C ATOM 981 O SER A 68 -5.269 7.646 3.917 1.00 0.00 O ATOM 982 CB SER A 68 -6.719 7.809 0.960 1.00 0.00 C ATOM 983 OG SER A 68 -7.875 7.807 1.782 1.00 0.00 O ATOM 0 H SER A 68 -6.981 5.569 1.940 1.00 0.00 H new ATOM 0 HA SER A 68 -4.786 6.888 0.831 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.413 8.838 0.770 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.962 7.365 -0.006 1.00 0.00 H new ATOM 0 HG SER A 68 -8.340 6.949 1.690 1.00 0.00 H new ATOM 989 N LEU A 69 -4.073 8.770 2.379 1.00 0.00 N ATOM 990 CA LEU A 69 -3.470 9.736 3.270 1.00 0.00 C ATOM 991 C LEU A 69 -3.521 11.057 2.494 1.00 0.00 C ATOM 992 O LEU A 69 -3.417 11.015 1.260 1.00 0.00 O ATOM 993 CB LEU A 69 -2.069 9.214 3.611 1.00 0.00 C ATOM 994 CG LEU A 69 -1.473 9.791 4.900 1.00 0.00 C ATOM 995 CD1 LEU A 69 -0.721 8.657 5.601 1.00 0.00 C ATOM 996 CD2 LEU A 69 -0.589 11.024 4.635 1.00 0.00 C ATOM 0 H LEU A 69 -3.752 8.867 1.416 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.964 9.892 4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.111 8.128 3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.399 9.441 2.782 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.265 10.162 5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.281 9.030 6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.414 7.847 5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.068 8.285 4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.190 11.396 5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.235 10.746 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.185 11.804 4.161 1.00 0.00 H new ATOM 1008 N PRO A 70 -3.697 12.215 3.149 1.00 0.00 N ATOM 1009 CA PRO A 70 -3.885 13.469 2.437 1.00 0.00 C ATOM 1010 C PRO A 70 -2.703 13.849 1.552 1.00 0.00 C ATOM 1011 O PRO A 70 -1.601 13.304 1.662 1.00 0.00 O ATOM 1012 CB PRO A 70 -4.114 14.530 3.519 1.00 0.00 C ATOM 1013 CG PRO A 70 -3.567 13.903 4.793 1.00 0.00 C ATOM 1014 CD PRO A 70 -3.855 12.429 4.579 1.00 0.00 C ATOM 0 HA PRO A 70 -4.727 13.381 1.751 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.596 15.458 3.280 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.172 14.772 3.619 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.501 14.095 4.915 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.065 14.289 5.682 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.166 11.806 5.149 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.862 12.173 4.907 1.00 0.00 H new ATOM 1022 N GLY A 71 -2.960 14.779 0.629 1.00 0.00 N ATOM 1023 CA GLY A 71 -1.923 15.361 -0.197 1.00 0.00 C ATOM 1024 C GLY A 71 -0.893 15.950 0.759 1.00 0.00 C ATOM 1025 O GLY A 71 -1.244 16.826 1.555 1.00 0.00 O ATOM 0 H GLY A 71 -3.894 15.143 0.441 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.470 14.607 -0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.333 16.132 -0.850 1.00 0.00 H new ATOM 1029 N ARG A 72 0.345 15.463 0.709 1.00 0.00 N ATOM 1030 CA ARG A 72 1.409 15.822 1.636 1.00 0.00 C ATOM 1031 C ARG A 72 2.617 16.353 0.900 1.00 0.00 C ATOM 1032 O ARG A 72 2.704 16.308 -0.329 1.00 0.00 O ATOM 1033 CB ARG A 72 1.729 14.660 2.606 1.00 0.00 C ATOM 1034 CG ARG A 72 0.756 14.593 3.790 1.00 0.00 C ATOM 1035 CD ARG A 72 1.446 13.888 4.963 1.00 0.00 C ATOM 1036 NE ARG A 72 0.596 13.890 6.154 1.00 0.00 N ATOM 1037 CZ ARG A 72 0.857 13.310 7.327 1.00 0.00 C ATOM 1038 NH1 ARG A 72 2.005 12.677 7.560 1.00 0.00 N ATOM 1039 NH2 ARG A 72 -0.085 13.364 8.259 1.00 0.00 N ATOM 0 H ARG A 72 0.641 14.790 0.002 1.00 0.00 H new ATOM 0 HA ARG A 72 1.060 16.641 2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.696 13.717 2.060 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.745 14.776 2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.449 15.597 4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.147 14.054 3.505 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.684 12.861 4.685 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.390 14.385 5.186 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.291 14.388 6.080 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.716 12.625 6.830 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.173 12.244 8.468 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.968 13.836 8.065 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.074 12.933 9.170 1.00 0.00 H new ATOM 1053 N GLU A 73 3.501 16.953 1.673 1.00 0.00 N ATOM 1054 CA GLU A 73 4.782 17.511 1.314 1.00 0.00 C ATOM 1055 C GLU A 73 5.680 17.292 2.535 1.00 0.00 C ATOM 1056 O GLU A 73 5.210 16.790 3.559 1.00 0.00 O ATOM 1057 CB GLU A 73 4.626 18.991 0.916 1.00 0.00 C ATOM 1058 CG GLU A 73 4.155 19.947 2.027 1.00 0.00 C ATOM 1059 CD GLU A 73 2.703 19.741 2.478 1.00 0.00 C ATOM 1060 OE1 GLU A 73 1.791 19.682 1.621 1.00 0.00 O ATOM 1061 OE2 GLU A 73 2.457 19.672 3.704 1.00 0.00 O ATOM 0 H GLU A 73 3.317 17.072 2.669 1.00 0.00 H new ATOM 0 HA GLU A 73 5.228 17.034 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.585 19.348 0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.918 19.051 0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.809 19.829 2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.270 20.973 1.678 1.00 0.00 H new ATOM 1068 N ASN A 74 6.954 17.679 2.445 1.00 0.00 N ATOM 1069 CA ASN A 74 7.919 17.570 3.542 1.00 0.00 C ATOM 1070 C ASN A 74 7.950 16.136 4.093 1.00 0.00 C ATOM 1071 O ASN A 74 7.822 15.889 5.296 1.00 0.00 O ATOM 1072 CB ASN A 74 7.649 18.655 4.603 1.00 0.00 C ATOM 1073 CG ASN A 74 8.034 20.033 4.085 1.00 0.00 C ATOM 1074 OD1 ASN A 74 7.283 20.696 3.369 1.00 0.00 O ATOM 1075 ND2 ASN A 74 9.232 20.481 4.393 1.00 0.00 N ATOM 0 H ASN A 74 7.350 18.083 1.596 1.00 0.00 H new ATOM 0 HA ASN A 74 8.926 17.762 3.173 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.594 18.647 4.876 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.214 18.432 5.508 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.545 21.384 4.038 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.847 19.925 4.987 1.00 0.00 H new ATOM 1082 N TYR A 75 8.131 15.181 3.178 1.00 0.00 N ATOM 1083 CA TYR A 75 8.210 13.748 3.448 1.00 0.00 C ATOM 1084 C TYR A 75 9.559 13.409 4.101 1.00 0.00 C ATOM 1085 O TYR A 75 10.402 14.291 4.287 1.00 0.00 O ATOM 1086 CB TYR A 75 8.066 12.997 2.119 1.00 0.00 C ATOM 1087 CG TYR A 75 6.746 13.161 1.407 1.00 0.00 C ATOM 1088 CD1 TYR A 75 6.564 14.222 0.498 1.00 0.00 C ATOM 1089 CD2 TYR A 75 5.736 12.199 1.590 1.00 0.00 C ATOM 1090 CE1 TYR A 75 5.372 14.315 -0.235 1.00 0.00 C ATOM 1091 CE2 TYR A 75 4.547 12.288 0.851 1.00 0.00 C ATOM 1092 CZ TYR A 75 4.367 13.343 -0.058 1.00 0.00 C ATOM 1093 OH TYR A 75 3.236 13.403 -0.792 1.00 0.00 O ATOM 0 H TYR A 75 8.231 15.397 2.186 1.00 0.00 H new ATOM 0 HA TYR A 75 7.414 13.453 4.131 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.861 13.327 1.450 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.226 11.935 2.305 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.340 14.961 0.366 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.876 11.395 2.297 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.225 15.127 -0.931 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.772 11.547 0.981 1.00 0.00 H new ATOM 0 HH TYR A 75 2.606 12.720 -0.479 1.00 0.00 H new ATOM 1103 N SER A 76 9.786 12.136 4.416 1.00 0.00 N ATOM 1104 CA SER A 76 10.974 11.642 5.103 1.00 0.00 C ATOM 1105 C SER A 76 11.491 10.392 4.372 1.00 0.00 C ATOM 1106 O SER A 76 10.862 9.935 3.416 1.00 0.00 O ATOM 1107 CB SER A 76 10.605 11.385 6.572 1.00 0.00 C ATOM 1108 OG SER A 76 10.011 12.544 7.147 1.00 0.00 O ATOM 0 H SER A 76 9.123 11.394 4.191 1.00 0.00 H new ATOM 0 HA SER A 76 11.787 12.368 5.092 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.914 10.544 6.638 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.497 11.109 7.134 1.00 0.00 H new ATOM 0 HG SER A 76 9.780 12.364 8.082 1.00 0.00 H new ATOM 1114 N SER A 77 12.643 9.853 4.777 1.00 0.00 N ATOM 1115 CA SER A 77 13.304 8.740 4.098 1.00 0.00 C ATOM 1116 C SER A 77 13.808 7.751 5.158 1.00 0.00 C ATOM 1117 O SER A 77 14.441 8.187 6.126 1.00 0.00 O ATOM 1118 CB SER A 77 14.456 9.278 3.222 1.00 0.00 C ATOM 1119 OG SER A 77 14.094 10.433 2.470 1.00 0.00 O ATOM 0 H SER A 77 13.149 10.184 5.598 1.00 0.00 H new ATOM 0 HA SER A 77 12.608 8.219 3.440 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.307 9.519 3.859 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.781 8.494 2.538 1.00 0.00 H new ATOM 0 HG SER A 77 14.586 10.439 1.622 1.00 0.00 H new ATOM 1125 N VAL A 78 13.507 6.455 5.012 1.00 0.00 N ATOM 1126 CA VAL A 78 13.917 5.365 5.911 1.00 0.00 C ATOM 1127 C VAL A 78 14.039 4.087 5.062 1.00 0.00 C ATOM 1128 O VAL A 78 13.304 3.949 4.077 1.00 0.00 O ATOM 1129 CB VAL A 78 12.868 5.167 7.044 1.00 0.00 C ATOM 1130 CG1 VAL A 78 13.277 4.083 8.053 1.00 0.00 C ATOM 1131 CG2 VAL A 78 12.584 6.438 7.864 1.00 0.00 C ATOM 0 H VAL A 78 12.946 6.121 4.229 1.00 0.00 H new ATOM 0 HA VAL A 78 14.870 5.601 6.385 1.00 0.00 H new ATOM 0 HB VAL A 78 11.972 4.874 6.497 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.507 3.990 8.819 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.392 3.130 7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 78 14.222 4.359 8.520 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.843 6.217 8.633 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.505 6.780 8.335 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.202 7.218 7.205 1.00 0.00 H new ATOM 1141 N ASP A 79 14.907 3.141 5.423 1.00 0.00 N ATOM 1142 CA ASP A 79 15.020 1.827 4.774 1.00 0.00 C ATOM 1143 C ASP A 79 14.373 0.777 5.680 1.00 0.00 C ATOM 1144 O ASP A 79 14.462 0.879 6.908 1.00 0.00 O ATOM 1145 CB ASP A 79 16.484 1.455 4.485 1.00 0.00 C ATOM 1146 CG ASP A 79 16.605 0.249 3.537 1.00 0.00 C ATOM 1147 OD1 ASP A 79 16.231 -0.880 3.927 1.00 0.00 O ATOM 1148 OD2 ASP A 79 17.089 0.456 2.396 1.00 0.00 O ATOM 0 H ASP A 79 15.567 3.266 6.191 1.00 0.00 H new ATOM 0 HA ASP A 79 14.506 1.866 3.813 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.994 2.312 4.046 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.991 1.229 5.423 1.00 0.00 H new ATOM 1153 N ALA A 80 13.675 -0.198 5.103 1.00 0.00 N ATOM 1154 CA ALA A 80 13.108 -1.338 5.806 1.00 0.00 C ATOM 1155 C ALA A 80 13.069 -2.513 4.835 1.00 0.00 C ATOM 1156 O ALA A 80 12.756 -2.324 3.660 1.00 0.00 O ATOM 1157 CB ALA A 80 11.697 -1.012 6.299 1.00 0.00 C ATOM 0 H ALA A 80 13.484 -0.214 4.101 1.00 0.00 H new ATOM 0 HA ALA A 80 13.717 -1.585 6.676 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.286 -1.875 6.823 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.737 -0.160 6.978 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.061 -0.768 5.448 1.00 0.00 H new ATOM 1163 N ASN A 81 13.346 -3.725 5.329 1.00 0.00 N ATOM 1164 CA ASN A 81 13.475 -4.952 4.530 1.00 0.00 C ATOM 1165 C ASN A 81 14.448 -4.801 3.345 1.00 0.00 C ATOM 1166 O ASN A 81 14.358 -5.549 2.373 1.00 0.00 O ATOM 1167 CB ASN A 81 12.090 -5.498 4.113 1.00 0.00 C ATOM 1168 CG ASN A 81 11.411 -6.298 5.217 1.00 0.00 C ATOM 1169 OD1 ASN A 81 11.997 -7.217 5.777 1.00 0.00 O ATOM 1170 ND2 ASN A 81 10.166 -5.993 5.535 1.00 0.00 N ATOM 0 H ASN A 81 13.491 -3.885 6.326 1.00 0.00 H new ATOM 0 HA ASN A 81 13.932 -5.704 5.173 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.448 -4.665 3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 81 12.204 -6.129 3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.679 -6.525 6.256 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.692 -5.225 5.060 1.00 0.00 H new ATOM 1177 N GLY A 82 15.404 -3.865 3.411 1.00 0.00 N ATOM 1178 CA GLY A 82 16.348 -3.639 2.329 1.00 0.00 C ATOM 1179 C GLY A 82 15.718 -2.866 1.174 1.00 0.00 C ATOM 1180 O GLY A 82 16.250 -2.911 0.062 1.00 0.00 O ATOM 0 H GLY A 82 15.538 -3.251 4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.209 -3.088 2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.718 -4.597 1.965 1.00 0.00 H new ATOM 1184 N ILE A 83 14.610 -2.160 1.407 1.00 0.00 N ATOM 1185 CA ILE A 83 13.937 -1.282 0.463 1.00 0.00 C ATOM 1186 C ILE A 83 14.061 0.124 1.043 1.00 0.00 C ATOM 1187 O ILE A 83 13.768 0.330 2.221 1.00 0.00 O ATOM 1188 CB ILE A 83 12.447 -1.671 0.308 1.00 0.00 C ATOM 1189 CG1 ILE A 83 12.213 -3.173 0.030 1.00 0.00 C ATOM 1190 CG2 ILE A 83 11.834 -0.816 -0.815 1.00 0.00 C ATOM 1191 CD1 ILE A 83 10.735 -3.574 0.152 1.00 0.00 C ATOM 0 H ILE A 83 14.137 -2.191 2.310 1.00 0.00 H new ATOM 0 HA ILE A 83 14.384 -1.353 -0.529 1.00 0.00 H new ATOM 0 HB ILE A 83 11.960 -1.476 1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.569 -3.413 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.805 -3.764 0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.783 -1.077 -0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.918 0.239 -0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.366 -1.004 -1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.629 -4.639 -0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 83 10.383 -3.362 1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.143 -3.005 -0.565 1.00 0.00 H new ATOM 1203 N GLN A 84 14.396 1.113 0.220 1.00 0.00 N ATOM 1204 CA GLN A 84 14.608 2.475 0.667 1.00 0.00 C ATOM 1205 C GLN A 84 13.381 3.286 0.279 1.00 0.00 C ATOM 1206 O GLN A 84 12.909 3.221 -0.859 1.00 0.00 O ATOM 1207 CB GLN A 84 15.866 3.040 -0.016 1.00 0.00 C ATOM 1208 CG GLN A 84 16.182 4.502 0.338 1.00 0.00 C ATOM 1209 CD GLN A 84 16.561 4.694 1.803 1.00 0.00 C ATOM 1210 OE1 GLN A 84 17.560 4.169 2.279 1.00 0.00 O ATOM 1211 NE2 GLN A 84 15.807 5.468 2.564 1.00 0.00 N ATOM 0 H GLN A 84 14.528 0.985 -0.783 1.00 0.00 H new ATOM 0 HA GLN A 84 14.753 2.517 1.746 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.721 2.421 0.256 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.745 2.959 -1.096 1.00 0.00 H new ATOM 0 HG2 GLN A 84 16.999 4.854 -0.292 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.314 5.121 0.109 1.00 0.00 H new ATOM 0 HE21 GLN A 84 14.973 5.909 2.175 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.059 5.624 3.540 1.00 0.00 H new ATOM 1220 N SER A 85 12.868 4.061 1.234 1.00 0.00 N ATOM 1221 CA SER A 85 11.792 4.999 0.987 1.00 0.00 C ATOM 1222 C SER A 85 12.458 6.370 0.948 1.00 0.00 C ATOM 1223 O SER A 85 13.369 6.624 1.743 1.00 0.00 O ATOM 1224 CB SER A 85 10.686 4.877 2.035 1.00 0.00 C ATOM 1225 OG SER A 85 11.127 5.251 3.324 1.00 0.00 O ATOM 0 H SER A 85 13.193 4.050 2.201 1.00 0.00 H new ATOM 0 HA SER A 85 11.276 4.804 0.047 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.843 5.504 1.745 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.324 3.849 2.061 1.00 0.00 H new ATOM 0 HG SER A 85 11.760 4.582 3.660 1.00 0.00 H new ATOM 1231 N GLN A 86 12.050 7.241 0.029 1.00 0.00 N ATOM 1232 CA GLN A 86 12.696 8.531 -0.192 1.00 0.00 C ATOM 1233 C GLN A 86 11.666 9.658 -0.242 1.00 0.00 C ATOM 1234 O GLN A 86 10.602 9.501 -0.842 1.00 0.00 O ATOM 1235 CB GLN A 86 13.555 8.430 -1.464 1.00 0.00 C ATOM 1236 CG GLN A 86 12.746 8.191 -2.750 1.00 0.00 C ATOM 1237 CD GLN A 86 13.471 7.276 -3.731 1.00 0.00 C ATOM 1238 OE1 GLN A 86 14.449 7.679 -4.355 1.00 0.00 O ATOM 1239 NE2 GLN A 86 13.022 6.042 -3.886 1.00 0.00 N ATOM 0 H GLN A 86 11.256 7.070 -0.588 1.00 0.00 H new ATOM 0 HA GLN A 86 13.353 8.780 0.641 1.00 0.00 H new ATOM 0 HB2 GLN A 86 14.130 9.349 -1.575 1.00 0.00 H new ATOM 0 HB3 GLN A 86 14.272 7.618 -1.342 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.782 7.753 -2.493 1.00 0.00 H new ATOM 0 HG3 GLN A 86 12.543 9.148 -3.232 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.208 5.725 -3.359 1.00 0.00 H new ATOM 0 HE22 GLN A 86 13.489 5.407 -4.533 1.00 0.00 H new ATOM 1248 N MET A 87 11.959 10.777 0.416 1.00 0.00 N ATOM 1249 CA MET A 87 11.093 11.946 0.444 1.00 0.00 C ATOM 1250 C MET A 87 10.851 12.504 -0.970 1.00 0.00 C ATOM 1251 O MET A 87 11.691 12.343 -1.858 1.00 0.00 O ATOM 1252 CB MET A 87 11.688 12.972 1.422 1.00 0.00 C ATOM 1253 CG MET A 87 12.945 13.690 0.926 1.00 0.00 C ATOM 1254 SD MET A 87 12.612 15.310 0.178 1.00 0.00 S ATOM 1255 CE MET A 87 12.233 16.243 1.687 1.00 0.00 C ATOM 0 H MET A 87 12.819 10.896 0.952 1.00 0.00 H new ATOM 0 HA MET A 87 10.102 11.674 0.806 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.927 13.719 1.648 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.924 12.465 2.357 1.00 0.00 H new ATOM 0 HG2 MET A 87 13.632 13.820 1.762 1.00 0.00 H new ATOM 0 HG3 MET A 87 13.449 13.058 0.194 1.00 0.00 H new ATOM 0 HE1 MET A 87 11.278 16.755 1.568 1.00 0.00 H new ATOM 0 HE2 MET A 87 12.175 15.558 2.533 1.00 0.00 H new ATOM 0 HE3 MET A 87 13.018 16.977 1.868 1.00 0.00 H new ATOM 1265 N LEU A 88 9.721 13.194 -1.172 1.00 0.00 N ATOM 1266 CA LEU A 88 9.256 13.687 -2.475 1.00 0.00 C ATOM 1267 C LEU A 88 8.982 15.184 -2.449 1.00 0.00 C ATOM 1268 O LEU A 88 9.087 15.835 -1.405 1.00 0.00 O ATOM 1269 CB LEU A 88 7.945 13.023 -2.918 1.00 0.00 C ATOM 1270 CG LEU A 88 7.893 11.497 -2.788 1.00 0.00 C ATOM 1271 CD1 LEU A 88 7.276 11.114 -1.440 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.045 10.964 -3.940 1.00 0.00 C ATOM 0 H LEU A 88 9.086 13.432 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 88 10.063 13.445 -3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.129 13.447 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.760 13.287 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 88 8.894 11.068 -2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.241 10.028 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.882 11.525 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.265 11.516 -1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.987 9.877 -3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.041 11.385 -3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.500 11.249 -4.889 1.00 0.00 H new ATOM 1284 N SER A 89 8.519 15.704 -3.584 1.00 0.00 N ATOM 1285 CA SER A 89 8.139 17.074 -3.840 1.00 0.00 C ATOM 1286 C SER A 89 6.616 17.269 -3.926 1.00 0.00 C ATOM 1287 O SER A 89 6.052 17.392 -5.018 1.00 0.00 O ATOM 1288 CB SER A 89 8.885 17.533 -5.104 1.00 0.00 C ATOM 1289 OG SER A 89 8.898 16.501 -6.085 1.00 0.00 O ATOM 0 H SER A 89 8.393 15.121 -4.411 1.00 0.00 H new ATOM 0 HA SER A 89 8.430 17.702 -2.998 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.406 18.423 -5.512 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.907 17.811 -4.848 1.00 0.00 H new ATOM 0 HG SER A 89 9.376 16.813 -6.882 1.00 0.00 H new ATOM 1295 N ARG A 90 5.924 17.285 -2.770 1.00 0.00 N ATOM 1296 CA ARG A 90 4.488 17.621 -2.748 1.00 0.00 C ATOM 1297 C ARG A 90 3.600 16.701 -3.605 1.00 0.00 C ATOM 1298 O ARG A 90 3.080 17.114 -4.644 1.00 0.00 O ATOM 1299 CB ARG A 90 4.350 19.148 -2.943 1.00 0.00 C ATOM 1300 CG ARG A 90 2.953 19.756 -3.216 1.00 0.00 C ATOM 1301 CD ARG A 90 2.904 20.507 -4.558 1.00 0.00 C ATOM 1302 NE ARG A 90 3.437 19.676 -5.642 1.00 0.00 N ATOM 1303 CZ ARG A 90 4.287 20.072 -6.587 1.00 0.00 C ATOM 1304 NH1 ARG A 90 4.277 21.330 -7.012 1.00 0.00 N ATOM 1305 NH2 ARG A 90 5.160 19.195 -7.059 1.00 0.00 N ATOM 0 H ARG A 90 6.326 17.074 -1.857 1.00 0.00 H new ATOM 0 HA ARG A 90 4.058 17.394 -1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.747 19.629 -2.049 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.998 19.432 -3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.206 18.962 -3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.691 20.439 -2.408 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.876 20.790 -4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.480 21.429 -4.484 1.00 0.00 H new ATOM 0 HE ARG A 90 3.128 18.705 -5.675 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.616 21.997 -6.614 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.930 21.629 -7.736 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.170 18.241 -6.698 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.822 19.474 -7.783 1.00 0.00 H new ATOM 1319 N TRP A 91 3.543 15.411 -3.286 1.00 0.00 N ATOM 1320 CA TRP A 91 2.651 14.496 -4.001 1.00 0.00 C ATOM 1321 C TRP A 91 1.251 14.597 -3.390 1.00 0.00 C ATOM 1322 O TRP A 91 0.988 14.189 -2.256 1.00 0.00 O ATOM 1323 CB TRP A 91 3.152 13.050 -3.979 1.00 0.00 C ATOM 1324 CG TRP A 91 2.826 12.303 -5.234 1.00 0.00 C ATOM 1325 CD1 TRP A 91 1.602 11.921 -5.658 1.00 0.00 C ATOM 1326 CD2 TRP A 91 3.745 11.864 -6.264 1.00 0.00 C ATOM 1327 NE1 TRP A 91 1.706 11.260 -6.865 1.00 0.00 N ATOM 1328 CE2 TRP A 91 3.023 11.170 -7.275 1.00 0.00 C ATOM 1329 CE3 TRP A 91 5.134 11.989 -6.419 1.00 0.00 C ATOM 1330 CZ2 TRP A 91 3.674 10.593 -8.377 1.00 0.00 C ATOM 1331 CZ3 TRP A 91 5.809 11.325 -7.452 1.00 0.00 C ATOM 1332 CH2 TRP A 91 5.079 10.637 -8.440 1.00 0.00 C ATOM 0 H TRP A 91 4.096 14.977 -2.547 1.00 0.00 H new ATOM 0 HA TRP A 91 2.625 14.791 -5.050 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.232 13.047 -3.830 1.00 0.00 H new ATOM 0 HB3 TRP A 91 2.711 12.531 -3.128 1.00 0.00 H new ATOM 0 HD1 TRP A 91 0.678 12.106 -5.130 1.00 0.00 H new ATOM 0 HE1 TRP A 91 0.913 10.886 -7.387 1.00 0.00 H new ATOM 0 HE3 TRP A 91 5.692 12.607 -5.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 3.105 10.122 -9.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 6.888 11.341 -7.490 1.00 0.00 H new ATOM 0 HH2 TRP A 91 5.598 10.142 -9.247 1.00 0.00 H new ATOM 1343 N SER A 92 0.309 15.152 -4.145 1.00 0.00 N ATOM 1344 CA SER A 92 -1.056 15.378 -3.689 1.00 0.00 C ATOM 1345 C SER A 92 -1.913 14.103 -3.766 1.00 0.00 C ATOM 1346 O SER A 92 -3.109 14.154 -4.037 1.00 0.00 O ATOM 1347 CB SER A 92 -1.615 16.562 -4.467 1.00 0.00 C ATOM 1348 OG SER A 92 -0.796 17.701 -4.217 1.00 0.00 O ATOM 0 H SER A 92 0.475 15.461 -5.103 1.00 0.00 H new ATOM 0 HA SER A 92 -1.072 15.629 -2.628 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.635 16.338 -5.534 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.643 16.762 -4.164 1.00 0.00 H new ATOM 0 HG SER A 92 -1.145 18.470 -4.714 1.00 0.00 H new ATOM 1354 N ALA A 93 -1.299 12.946 -3.532 1.00 0.00 N ATOM 1355 CA ALA A 93 -1.896 11.633 -3.426 1.00 0.00 C ATOM 1356 C ALA A 93 -0.875 10.826 -2.635 1.00 0.00 C ATOM 1357 O ALA A 93 0.233 10.584 -3.120 1.00 0.00 O ATOM 1358 CB ALA A 93 -2.147 11.017 -4.809 1.00 0.00 C ATOM 0 H ALA A 93 -0.288 12.908 -3.402 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.873 11.658 -2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.596 10.031 -4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.822 11.658 -5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.201 10.924 -5.343 1.00 0.00 H new ATOM 1364 N SER A 94 -1.197 10.485 -1.395 1.00 0.00 N ATOM 1365 CA SER A 94 -0.368 9.611 -0.581 1.00 0.00 C ATOM 1366 C SER A 94 -1.261 8.539 0.048 1.00 0.00 C ATOM 1367 O SER A 94 -2.488 8.574 -0.110 1.00 0.00 O ATOM 1368 CB SER A 94 0.419 10.440 0.442 1.00 0.00 C ATOM 1369 OG SER A 94 1.106 11.527 -0.166 1.00 0.00 O ATOM 0 H SER A 94 -2.043 10.808 -0.925 1.00 0.00 H new ATOM 0 HA SER A 94 0.379 9.096 -1.185 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.264 10.822 1.201 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.137 9.798 0.953 1.00 0.00 H new ATOM 0 HG SER A 94 0.461 12.108 -0.621 1.00 0.00 H new ATOM 1375 N PHE A 95 -0.662 7.555 0.711 1.00 0.00 N ATOM 1376 CA PHE A 95 -1.371 6.475 1.365 1.00 0.00 C ATOM 1377 C PHE A 95 -0.513 5.848 2.451 1.00 0.00 C ATOM 1378 O PHE A 95 0.650 6.200 2.624 1.00 0.00 O ATOM 1379 CB PHE A 95 -1.777 5.420 0.305 1.00 0.00 C ATOM 1380 CG PHE A 95 -0.661 4.576 -0.306 1.00 0.00 C ATOM 1381 CD1 PHE A 95 0.024 5.013 -1.457 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -0.361 3.306 0.229 1.00 0.00 C ATOM 1383 CE1 PHE A 95 0.981 4.183 -2.075 1.00 0.00 C ATOM 1384 CE2 PHE A 95 0.577 2.469 -0.401 1.00 0.00 C ATOM 1385 CZ PHE A 95 1.240 2.900 -1.562 1.00 0.00 C ATOM 0 H PHE A 95 0.351 7.490 0.807 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.269 6.869 1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.500 4.744 0.762 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.291 5.937 -0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.185 5.989 -1.868 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.856 2.974 1.130 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.517 4.534 -2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.788 1.492 0.009 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.945 2.249 -2.058 1.00 0.00 H new ATOM 1395 N THR A 96 -1.103 4.937 3.209 1.00 0.00 N ATOM 1396 CA THR A 96 -0.434 4.122 4.197 1.00 0.00 C ATOM 1397 C THR A 96 -1.103 2.751 4.052 1.00 0.00 C ATOM 1398 O THR A 96 -2.297 2.645 3.747 1.00 0.00 O ATOM 1399 CB THR A 96 -0.447 4.753 5.601 1.00 0.00 C ATOM 1400 OG1 THR A 96 0.482 4.063 6.400 1.00 0.00 O ATOM 1401 CG2 THR A 96 -1.826 4.786 6.263 1.00 0.00 C ATOM 0 H THR A 96 -2.102 4.741 3.146 1.00 0.00 H new ATOM 0 HA THR A 96 0.640 4.028 4.039 1.00 0.00 H new ATOM 0 HB THR A 96 -0.170 5.802 5.495 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.378 4.432 6.253 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.746 5.246 7.248 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.512 5.367 5.646 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.204 3.769 6.367 1.00 0.00 H new ATOM 1409 N VAL A 97 -0.305 1.692 4.089 1.00 0.00 N ATOM 1410 CA VAL A 97 -0.770 0.327 3.905 1.00 0.00 C ATOM 1411 C VAL A 97 -0.753 -0.390 5.252 1.00 0.00 C ATOM 1412 O VAL A 97 0.076 -0.064 6.104 1.00 0.00 O ATOM 1413 CB VAL A 97 0.050 -0.316 2.780 1.00 0.00 C ATOM 1414 CG1 VAL A 97 1.550 -0.371 3.064 1.00 0.00 C ATOM 1415 CG2 VAL A 97 -0.448 -1.699 2.425 1.00 0.00 C ATOM 0 H VAL A 97 0.700 1.760 4.250 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.807 0.267 3.575 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.097 0.346 1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.063 -0.839 2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.931 0.641 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.728 -0.954 3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.165 -2.112 1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.384 -2.345 3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.485 -1.639 2.094 1.00 0.00 H new ATOM 1425 N THR A 98 -1.650 -1.356 5.429 1.00 0.00 N ATOM 1426 CA THR A 98 -1.890 -2.091 6.664 1.00 0.00 C ATOM 1427 C THR A 98 -2.472 -3.475 6.346 1.00 0.00 C ATOM 1428 O THR A 98 -2.831 -3.741 5.194 1.00 0.00 O ATOM 1429 CB THR A 98 -2.875 -1.275 7.535 1.00 0.00 C ATOM 1430 OG1 THR A 98 -3.904 -0.641 6.778 1.00 0.00 O ATOM 1431 CG2 THR A 98 -2.180 -0.174 8.330 1.00 0.00 C ATOM 0 H THR A 98 -2.262 -1.663 4.672 1.00 0.00 H new ATOM 0 HA THR A 98 -0.954 -2.234 7.205 1.00 0.00 H new ATOM 0 HB THR A 98 -3.307 -2.020 8.203 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.994 -1.088 5.910 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.917 0.367 8.923 1.00 0.00 H new ATOM 0 HG22 THR A 98 -1.436 -0.617 8.992 1.00 0.00 H new ATOM 0 HG23 THR A 98 -1.689 0.516 7.644 1.00 0.00 H new ATOM 1439 N LEU A 99 -2.568 -4.359 7.345 1.00 0.00 N ATOM 1440 CA LEU A 99 -3.232 -5.655 7.222 1.00 0.00 C ATOM 1441 C LEU A 99 -4.390 -5.600 8.202 1.00 0.00 C ATOM 1442 O LEU A 99 -4.178 -5.309 9.383 1.00 0.00 O ATOM 1443 CB LEU A 99 -2.327 -6.842 7.603 1.00 0.00 C ATOM 1444 CG LEU A 99 -1.199 -7.202 6.623 1.00 0.00 C ATOM 1445 CD1 LEU A 99 -0.644 -8.582 6.993 1.00 0.00 C ATOM 1446 CD2 LEU A 99 -1.657 -7.221 5.169 1.00 0.00 C ATOM 0 H LEU A 99 -2.180 -4.189 8.273 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.528 -5.817 6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.878 -6.628 8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.958 -7.722 7.731 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.434 -6.430 6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.158 -8.848 6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.254 -8.557 8.011 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.440 -9.324 6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.816 -7.481 4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.450 -7.959 5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.033 -6.236 4.893 1.00 0.00 H new ATOM 1458 N GLU A 100 -5.613 -5.814 7.728 1.00 0.00 N ATOM 1459 CA GLU A 100 -6.788 -5.923 8.581 1.00 0.00 C ATOM 1460 C GLU A 100 -7.075 -7.387 8.834 1.00 0.00 C ATOM 1461 O GLU A 100 -7.443 -7.747 9.970 1.00 0.00 O ATOM 1462 CB GLU A 100 -7.973 -5.155 7.988 1.00 0.00 C ATOM 1463 CG GLU A 100 -9.048 -4.965 9.070 1.00 0.00 C ATOM 1464 CD GLU A 100 -10.132 -3.988 8.626 1.00 0.00 C ATOM 1465 OE1 GLU A 100 -9.817 -2.798 8.372 1.00 0.00 O ATOM 1466 OE2 GLU A 100 -11.305 -4.406 8.497 1.00 0.00 O ATOM 1467 OXT GLU A 100 -6.979 -8.175 7.870 1.00 0.00 O ATOM 0 H GLU A 100 -5.817 -5.917 6.734 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.601 -5.454 9.547 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.642 -4.186 7.613 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.387 -5.700 7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.501 -5.928 9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.582 -4.600 9.985 1.00 0.00 H new TER 1474 GLU A 100