USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 885 hydrogens (51 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 72 M3L H2 : A 72 M3L N : A 71 PRO C :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 52 ASN : amide:sc= -3.49! C(o=-7.1!,f=-4.9!) USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 104 HEC O2A : rot 151:sc= -3.58! USER MOD Set 2.1: A 39 HIS : no HD1:sc= -1.6 X(o=-4.1,f=-4.5) USER MOD Set 2.2: A 56 ASN : amide:sc= -2.49! C(o=-4.1!,f=-6.1!) USER MOD Set 3.1: A 19 THR OG1 : rot -78:sc= 0.0434 USER MOD Set 3.2: A 31 ASN : amide:sc= -9.27! C(o=-9.2!,f=-9.4!) USER MOD Set 4.1: A 2 SER OG : rot 180:sc= -0.0935 USER MOD Set 4.2: A 4 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0367) USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.108) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ 158:sc= 0.0114 (180deg=0) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.214 X(o=-0.21,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -2.04 K(o=-2,f=-2.7) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -3.76! X(o=-3.8!,f=-4.2) USER MOD Single : A 40 SER OG : rot -14:sc= 0.178 USER MOD Single : A 42 GLN : amide:sc= -6.02! C(o=-6!,f=-7!) USER MOD Single : A 46 TYR OH : rot 122:sc= -0.577 USER MOD Single : A 47 SER OG : rot 48:sc= 1.14 USER MOD Single : A 48 TYR OH : rot 70:sc= -0.225 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0666 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.526 X(o=-0.53,f=-0.068) USER MOD Single : A 63 ASN : amide:sc= -4.76! K(o=-4.8!,f=-1.8) USER MOD Single : A 64 MET CE :methyl -107:sc= -9.47! (180deg=-16.7!) USER MOD Single : A 65 SER OG : rot 180:sc= -0.678 USER MOD Single : A 67 TYR OH : rot -106:sc= 1.18 USER MOD Single : A 69 THR OG1 : rot -68:sc= 0.463 USER MOD Single : A 70 ASN : amide:sc= -0.0665 X(o=-0.066,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 30:sc=-0.00237 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 171:sc= -2.37 (180deg=-3.08!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00804) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -2.92! C(o=-2.9!,f=-5!) USER MOD Single : A 96 THR OG1 : rot -70:sc= 0.302 USER MOD Single : A 97 TYR OH : rot 171:sc= 0.279 USER MOD Single : A 99 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0388) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -65:sc= 0.974 USER MOD Single : A 104 HEC O2D : rot 12:sc= 0.892 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 6.796 -23.220 -6.298 1.00 0.00 N ATOM 2 CA THR A -5 7.463 -22.178 -5.536 1.00 0.00 C ATOM 3 C THR A -5 7.294 -20.823 -6.227 1.00 0.00 C ATOM 4 O THR A -5 8.258 -20.263 -6.747 1.00 0.00 O ATOM 5 CB THR A -5 8.925 -22.589 -5.353 1.00 0.00 C ATOM 6 OG1 THR A -5 8.864 -23.709 -4.475 1.00 0.00 O ATOM 7 CG2 THR A -5 9.733 -21.548 -4.575 1.00 0.00 C ATOM 0 H1 THR A -5 7.207 -24.144 -6.056 1.00 0.00 H new ATOM 0 H2 THR A -5 5.781 -23.222 -6.070 1.00 0.00 H new ATOM 0 H3 THR A -5 6.922 -23.041 -7.315 1.00 0.00 H new ATOM 0 HA THR A -5 7.017 -22.062 -4.548 1.00 0.00 H new ATOM 0 HB THR A -5 9.382 -22.747 -6.330 1.00 0.00 H new ATOM 0 HG1 THR A -5 9.770 -24.040 -4.304 1.00 0.00 H new ATOM 0 HG21 THR A -5 10.763 -21.889 -4.473 1.00 0.00 H new ATOM 0 HG22 THR A -5 9.716 -20.599 -5.111 1.00 0.00 H new ATOM 0 HG23 THR A -5 9.296 -21.413 -3.586 1.00 0.00 H new ATOM 15 N GLU A -4 6.062 -20.335 -6.209 1.00 0.00 N ATOM 16 CA GLU A -4 5.755 -19.056 -6.826 1.00 0.00 C ATOM 17 C GLU A -4 4.499 -18.451 -6.197 1.00 0.00 C ATOM 18 O GLU A -4 3.438 -18.428 -6.819 1.00 0.00 O ATOM 19 CB GLU A -4 5.593 -19.203 -8.341 1.00 0.00 C ATOM 20 CG GLU A -4 6.864 -18.766 -9.073 1.00 0.00 C ATOM 21 CD GLU A -4 7.042 -17.248 -9.001 1.00 0.00 C ATOM 22 OE1 GLU A -4 6.608 -16.673 -7.980 1.00 0.00 O ATOM 23 OE2 GLU A -4 7.610 -16.697 -9.969 1.00 0.00 O ATOM 0 H GLU A -4 5.265 -20.802 -5.777 1.00 0.00 H new ATOM 0 HA GLU A -4 6.590 -18.379 -6.647 1.00 0.00 H new ATOM 0 HB2 GLU A -4 5.366 -20.240 -8.587 1.00 0.00 H new ATOM 0 HB3 GLU A -4 4.749 -18.602 -8.680 1.00 0.00 H new ATOM 0 HG2 GLU A -4 7.730 -19.259 -8.632 1.00 0.00 H new ATOM 0 HG3 GLU A -4 6.815 -19.081 -10.115 1.00 0.00 H new ATOM 30 N PHE A -3 4.660 -17.976 -4.971 1.00 0.00 N ATOM 31 CA PHE A -3 3.551 -17.373 -4.250 1.00 0.00 C ATOM 32 C PHE A -3 2.348 -18.317 -4.204 1.00 0.00 C ATOM 33 O PHE A -3 1.650 -18.487 -5.202 1.00 0.00 O ATOM 34 CB PHE A -3 3.160 -16.105 -5.012 1.00 0.00 C ATOM 35 CG PHE A -3 1.722 -15.646 -4.761 1.00 0.00 C ATOM 36 CD1 PHE A -3 1.422 -14.929 -3.645 1.00 0.00 C ATOM 37 CD2 PHE A -3 0.744 -15.956 -5.653 1.00 0.00 C ATOM 38 CE1 PHE A -3 0.088 -14.504 -3.411 1.00 0.00 C ATOM 39 CE2 PHE A -3 -0.590 -15.531 -5.420 1.00 0.00 C ATOM 40 CZ PHE A -3 -0.890 -14.814 -4.304 1.00 0.00 C ATOM 0 H PHE A -3 5.541 -17.996 -4.458 1.00 0.00 H new ATOM 0 HA PHE A -3 3.848 -17.157 -3.224 1.00 0.00 H new ATOM 0 HB2 PHE A -3 3.841 -15.301 -4.733 1.00 0.00 H new ATOM 0 HB3 PHE A -3 3.294 -16.279 -6.080 1.00 0.00 H new ATOM 0 HD1 PHE A -3 2.199 -14.683 -2.936 1.00 0.00 H new ATOM 0 HD2 PHE A -3 0.982 -16.526 -6.539 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -0.150 -13.935 -2.525 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -1.367 -15.777 -6.129 1.00 0.00 H new ATOM 0 HZ PHE A -3 -1.905 -14.491 -4.127 1.00 0.00 H new ATOM 50 N LYS A -2 2.144 -18.906 -3.035 1.00 0.00 N ATOM 51 CA LYS A -2 1.037 -19.829 -2.846 1.00 0.00 C ATOM 52 C LYS A -2 -0.240 -19.035 -2.560 1.00 0.00 C ATOM 53 O LYS A -2 -0.431 -18.538 -1.452 1.00 0.00 O ATOM 54 CB LYS A -2 1.376 -20.857 -1.765 1.00 0.00 C ATOM 55 CG LYS A -2 1.989 -20.181 -0.537 1.00 0.00 C ATOM 56 CD LYS A -2 1.864 -21.073 0.700 1.00 0.00 C ATOM 57 CE LYS A -2 0.636 -20.692 1.529 1.00 0.00 C ATOM 58 NZ LYS A -2 0.291 -21.777 2.474 1.00 0.00 N ATOM 0 H LYS A -2 2.726 -18.762 -2.210 1.00 0.00 H new ATOM 0 HA LYS A -2 0.860 -20.403 -3.756 1.00 0.00 H new ATOM 0 HB2 LYS A -2 0.474 -21.396 -1.475 1.00 0.00 H new ATOM 0 HB3 LYS A -2 2.073 -21.594 -2.165 1.00 0.00 H new ATOM 0 HG2 LYS A -2 3.040 -19.960 -0.726 1.00 0.00 H new ATOM 0 HG3 LYS A -2 1.491 -19.229 -0.355 1.00 0.00 H new ATOM 0 HD2 LYS A -2 1.791 -22.117 0.394 1.00 0.00 H new ATOM 0 HD3 LYS A -2 2.762 -20.982 1.311 1.00 0.00 H new ATOM 0 HE2 LYS A -2 0.833 -19.772 2.079 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -0.209 -20.495 0.869 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -0.545 -21.502 3.029 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 0.083 -22.647 1.943 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 1.092 -21.946 3.116 1.00 0.00 H new ATOM 72 N ALA A -1 -1.080 -18.942 -3.580 1.00 0.00 N ATOM 73 CA ALA A -1 -2.333 -18.218 -3.453 1.00 0.00 C ATOM 74 C ALA A -1 -2.964 -18.533 -2.096 1.00 0.00 C ATOM 75 O ALA A -1 -2.659 -19.559 -1.489 1.00 0.00 O ATOM 76 CB ALA A -1 -3.253 -18.579 -4.622 1.00 0.00 C ATOM 0 H ALA A -1 -0.917 -19.356 -4.498 1.00 0.00 H new ATOM 0 HA ALA A -1 -2.160 -17.143 -3.494 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -4.193 -18.036 -4.526 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -2.771 -18.308 -5.561 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -3.451 -19.651 -4.612 1.00 0.00 H new ATOM 82 N GLY A 1 -3.833 -17.633 -1.659 1.00 0.00 N ATOM 83 CA GLY A 1 -4.510 -17.803 -0.384 1.00 0.00 C ATOM 84 C GLY A 1 -5.983 -18.160 -0.589 1.00 0.00 C ATOM 85 O GLY A 1 -6.301 -19.125 -1.282 1.00 0.00 O ATOM 0 H GLY A 1 -4.084 -16.784 -2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.019 -18.588 0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.432 -16.885 0.198 1.00 0.00 H new ATOM 89 N SER A 2 -6.843 -17.362 0.026 1.00 0.00 N ATOM 90 CA SER A 2 -8.276 -17.581 -0.080 1.00 0.00 C ATOM 91 C SER A 2 -9.033 -16.373 0.474 1.00 0.00 C ATOM 92 O SER A 2 -8.434 -15.485 1.080 1.00 0.00 O ATOM 93 CB SER A 2 -8.694 -18.854 0.659 1.00 0.00 C ATOM 94 OG SER A 2 -8.230 -18.867 2.006 1.00 0.00 O ATOM 0 H SER A 2 -6.575 -16.562 0.600 1.00 0.00 H new ATOM 0 HA SER A 2 -8.526 -17.706 -1.134 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.781 -18.938 0.649 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.302 -19.724 0.132 1.00 0.00 H new ATOM 0 HG SER A 2 -8.519 -19.695 2.444 1.00 0.00 H new ATOM 100 N ALA A 3 -10.338 -16.378 0.247 1.00 0.00 N ATOM 101 CA ALA A 3 -11.183 -15.293 0.716 1.00 0.00 C ATOM 102 C ALA A 3 -11.531 -15.523 2.188 1.00 0.00 C ATOM 103 O ALA A 3 -12.704 -15.525 2.560 1.00 0.00 O ATOM 104 CB ALA A 3 -12.428 -15.196 -0.169 1.00 0.00 C ATOM 0 H ALA A 3 -10.831 -17.116 -0.255 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.658 -14.340 0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -13.062 -14.382 0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -12.128 -15.003 -1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -12.982 -16.134 -0.122 1.00 0.00 H new ATOM 110 N LYS A 4 -10.491 -15.712 2.987 1.00 0.00 N ATOM 111 CA LYS A 4 -10.672 -15.943 4.410 1.00 0.00 C ATOM 112 C LYS A 4 -9.303 -16.016 5.088 1.00 0.00 C ATOM 113 O LYS A 4 -8.964 -17.026 5.704 1.00 0.00 O ATOM 114 CB LYS A 4 -11.543 -17.178 4.646 1.00 0.00 C ATOM 115 CG LYS A 4 -10.829 -18.449 4.179 1.00 0.00 C ATOM 116 CD LYS A 4 -11.695 -19.232 3.190 1.00 0.00 C ATOM 117 CE LYS A 4 -11.725 -20.719 3.545 1.00 0.00 C ATOM 118 NZ LYS A 4 -10.376 -21.312 3.410 1.00 0.00 N ATOM 0 H LYS A 4 -9.520 -15.710 2.676 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.210 -15.112 4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.784 -17.260 5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -12.487 -17.069 4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.881 -18.186 3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.595 -19.076 5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.709 -18.833 3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.306 -19.103 2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.085 -20.848 4.566 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.425 -21.241 2.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.427 -22.335 3.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.019 -21.146 2.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.733 -20.872 4.099 1.00 0.00 H new ATOM 132 N LYS A 5 -8.551 -14.934 4.953 1.00 0.00 N ATOM 133 CA LYS A 5 -7.226 -14.863 5.545 1.00 0.00 C ATOM 134 C LYS A 5 -6.656 -13.458 5.342 1.00 0.00 C ATOM 135 O LYS A 5 -6.025 -12.904 6.242 1.00 0.00 O ATOM 136 CB LYS A 5 -6.332 -15.975 4.992 1.00 0.00 C ATOM 137 CG LYS A 5 -6.174 -17.108 6.009 1.00 0.00 C ATOM 138 CD LYS A 5 -4.784 -17.740 5.913 1.00 0.00 C ATOM 139 CE LYS A 5 -4.743 -19.085 6.640 1.00 0.00 C ATOM 140 NZ LYS A 5 -5.433 -20.125 5.844 1.00 0.00 N ATOM 0 H LYS A 5 -8.834 -14.098 4.442 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.280 -15.033 6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.761 -16.367 4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.353 -15.568 4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.334 -16.723 7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.936 -17.868 5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.516 -17.880 4.866 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.044 -17.066 6.344 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.708 -19.379 6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.217 -18.992 7.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.184 -21.066 6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.462 -19.988 5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.138 -20.053 4.849 1.00 0.00 H new ATOM 154 N GLY A 6 -6.899 -12.921 4.156 1.00 0.00 N ATOM 155 CA GLY A 6 -6.417 -11.591 3.824 1.00 0.00 C ATOM 156 C GLY A 6 -7.459 -10.527 4.175 1.00 0.00 C ATOM 157 O GLY A 6 -7.112 -9.444 4.645 1.00 0.00 O ATOM 0 H GLY A 6 -7.423 -13.383 3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.491 -11.391 4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -6.184 -11.540 2.761 1.00 0.00 H new ATOM 161 N ALA A 7 -8.715 -10.872 3.934 1.00 0.00 N ATOM 162 CA ALA A 7 -9.810 -9.960 4.219 1.00 0.00 C ATOM 163 C ALA A 7 -9.657 -9.415 5.641 1.00 0.00 C ATOM 164 O ALA A 7 -9.510 -8.210 5.835 1.00 0.00 O ATOM 165 CB ALA A 7 -11.143 -10.682 4.011 1.00 0.00 C ATOM 0 H ALA A 7 -8.999 -11.771 3.544 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.790 -9.110 3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.964 -9.998 4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.215 -11.024 2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.201 -11.539 4.682 1.00 0.00 H new ATOM 171 N THR A 8 -9.697 -10.330 6.598 1.00 0.00 N ATOM 172 CA THR A 8 -9.565 -9.957 7.996 1.00 0.00 C ATOM 173 C THR A 8 -8.252 -9.206 8.226 1.00 0.00 C ATOM 174 O THR A 8 -8.085 -8.538 9.245 1.00 0.00 O ATOM 175 CB THR A 8 -9.694 -11.227 8.839 1.00 0.00 C ATOM 176 OG1 THR A 8 -10.941 -11.073 9.511 1.00 0.00 O ATOM 177 CG2 THR A 8 -8.666 -11.285 9.971 1.00 0.00 C ATOM 0 H THR A 8 -9.819 -11.329 6.433 1.00 0.00 H new ATOM 0 HA THR A 8 -10.354 -9.268 8.297 1.00 0.00 H new ATOM 0 HB THR A 8 -9.578 -12.101 8.198 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.105 -11.854 10.079 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.801 -12.206 10.538 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.660 -11.262 9.551 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.803 -10.429 10.631 1.00 0.00 H new ATOM 185 N LEU A 9 -7.354 -9.340 7.261 1.00 0.00 N ATOM 186 CA LEU A 9 -6.061 -8.683 7.345 1.00 0.00 C ATOM 187 C LEU A 9 -6.231 -7.192 7.045 1.00 0.00 C ATOM 188 O LEU A 9 -6.224 -6.367 7.958 1.00 0.00 O ATOM 189 CB LEU A 9 -5.045 -9.380 6.437 1.00 0.00 C ATOM 190 CG LEU A 9 -3.626 -9.509 6.994 1.00 0.00 C ATOM 191 CD1 LEU A 9 -3.096 -10.933 6.820 1.00 0.00 C ATOM 192 CD2 LEU A 9 -2.695 -8.470 6.366 1.00 0.00 C ATOM 0 H LEU A 9 -7.497 -9.894 6.417 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.659 -8.762 8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.417 -10.379 6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.996 -8.835 5.494 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.659 -9.307 8.065 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.086 -10.997 7.224 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.744 -11.630 7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.080 -11.188 5.760 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.693 -8.583 6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.662 -8.617 5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.067 -7.469 6.585 1.00 0.00 H new ATOM 204 N PHE A 10 -6.380 -6.892 5.764 1.00 0.00 N ATOM 205 CA PHE A 10 -6.552 -5.515 5.333 1.00 0.00 C ATOM 206 C PHE A 10 -7.375 -4.721 6.349 1.00 0.00 C ATOM 207 O PHE A 10 -7.001 -3.611 6.725 1.00 0.00 O ATOM 208 CB PHE A 10 -7.307 -5.554 4.002 1.00 0.00 C ATOM 209 CG PHE A 10 -7.358 -4.208 3.276 1.00 0.00 C ATOM 210 CD1 PHE A 10 -6.206 -3.609 2.871 1.00 0.00 C ATOM 211 CD2 PHE A 10 -8.555 -3.610 3.037 1.00 0.00 C ATOM 212 CE1 PHE A 10 -6.253 -2.360 2.198 1.00 0.00 C ATOM 213 CE2 PHE A 10 -8.603 -2.360 2.363 1.00 0.00 C ATOM 214 CZ PHE A 10 -7.451 -1.762 1.958 1.00 0.00 C ATOM 0 H PHE A 10 -6.385 -7.579 5.010 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.580 -5.032 5.236 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.835 -6.289 3.350 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.326 -5.896 4.184 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.255 -4.084 3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -9.470 -4.085 3.359 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.338 -1.885 1.877 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.554 -1.885 2.172 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.487 -0.812 1.446 1.00 0.00 H new ATOM 224 N LYS A 11 -8.481 -5.321 6.765 1.00 0.00 N ATOM 225 CA LYS A 11 -9.360 -4.684 7.731 1.00 0.00 C ATOM 226 C LYS A 11 -8.524 -4.127 8.885 1.00 0.00 C ATOM 227 O LYS A 11 -8.685 -2.970 9.271 1.00 0.00 O ATOM 228 CB LYS A 11 -10.458 -5.652 8.177 1.00 0.00 C ATOM 229 CG LYS A 11 -11.791 -4.923 8.358 1.00 0.00 C ATOM 230 CD LYS A 11 -12.867 -5.873 8.887 1.00 0.00 C ATOM 231 CE LYS A 11 -12.808 -5.973 10.413 1.00 0.00 C ATOM 232 NZ LYS A 11 -12.266 -7.287 10.825 1.00 0.00 N ATOM 0 H LYS A 11 -8.788 -6.241 6.451 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.878 -3.840 7.276 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.571 -6.445 7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.170 -6.128 9.114 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.663 -4.091 9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.111 -4.500 7.406 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.852 -5.520 8.580 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.732 -6.862 8.449 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.183 -5.174 10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.805 -5.837 10.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.233 -7.339 11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.878 -8.045 10.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.306 -7.402 10.442 1.00 0.00 H new ATOM 246 N THR A 12 -7.650 -4.977 9.404 1.00 0.00 N ATOM 247 CA THR A 12 -6.789 -4.585 10.507 1.00 0.00 C ATOM 248 C THR A 12 -5.352 -4.391 10.019 1.00 0.00 C ATOM 249 O THR A 12 -4.763 -5.299 9.436 1.00 0.00 O ATOM 250 CB THR A 12 -6.920 -5.640 11.607 1.00 0.00 C ATOM 251 OG1 THR A 12 -7.776 -5.033 12.571 1.00 0.00 O ATOM 252 CG2 THR A 12 -5.608 -5.864 12.362 1.00 0.00 C ATOM 0 H THR A 12 -7.520 -5.936 9.081 1.00 0.00 H new ATOM 0 HA THR A 12 -7.091 -3.623 10.922 1.00 0.00 H new ATOM 0 HB THR A 12 -7.252 -6.581 11.169 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.916 -5.650 13.319 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.756 -6.622 13.131 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.840 -6.199 11.665 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.292 -4.931 12.828 1.00 0.00 H new ATOM 260 N ARG A 13 -4.831 -3.200 10.274 1.00 0.00 N ATOM 261 CA ARG A 13 -3.474 -2.874 9.867 1.00 0.00 C ATOM 262 C ARG A 13 -3.465 -2.325 8.439 1.00 0.00 C ATOM 263 O ARG A 13 -2.447 -2.390 7.752 1.00 0.00 O ATOM 264 CB ARG A 13 -2.568 -4.105 9.939 1.00 0.00 C ATOM 265 CG ARG A 13 -2.764 -4.855 11.258 1.00 0.00 C ATOM 266 CD ARG A 13 -1.622 -4.558 12.232 1.00 0.00 C ATOM 267 NE ARG A 13 -1.194 -5.804 12.905 1.00 0.00 N ATOM 268 CZ ARG A 13 -0.303 -6.665 12.396 1.00 0.00 C ATOM 269 NH1 ARG A 13 0.260 -6.420 11.204 1.00 0.00 N ATOM 270 NH2 ARG A 13 0.026 -7.771 13.077 1.00 0.00 N ATOM 0 H ARG A 13 -5.324 -2.449 10.757 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.095 -2.116 10.553 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.785 -4.770 9.103 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.526 -3.800 9.842 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.714 -4.566 11.707 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.814 -5.927 11.067 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.781 -4.117 11.696 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.946 -3.827 12.973 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.603 -6.021 13.814 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.010 -5.578 10.685 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.939 -7.075 10.816 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.402 -7.958 13.984 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.705 -8.426 12.689 1.00 0.00 H new ATOM 284 N CYS A 14 -4.611 -1.796 8.035 1.00 0.00 N ATOM 285 CA CYS A 14 -4.748 -1.236 6.702 1.00 0.00 C ATOM 286 C CYS A 14 -5.945 -0.283 6.701 1.00 0.00 C ATOM 287 O CYS A 14 -5.775 0.932 6.618 1.00 0.00 O ATOM 288 CB CYS A 14 -4.888 -2.329 5.641 1.00 0.00 C ATOM 289 SG CYS A 14 -3.564 -2.347 4.377 1.00 0.00 S ATOM 0 H CYS A 14 -5.453 -1.744 8.608 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.845 -0.683 6.443 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.909 -3.298 6.139 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.848 -2.208 5.139 1.00 0.00 H new ATOM 294 N LEU A 15 -7.128 -0.871 6.796 1.00 0.00 N ATOM 295 CA LEU A 15 -8.353 -0.090 6.808 1.00 0.00 C ATOM 296 C LEU A 15 -8.193 1.088 7.771 1.00 0.00 C ATOM 297 O LEU A 15 -8.632 2.199 7.477 1.00 0.00 O ATOM 298 CB LEU A 15 -9.555 -0.983 7.123 1.00 0.00 C ATOM 299 CG LEU A 15 -10.594 -1.128 6.008 1.00 0.00 C ATOM 300 CD1 LEU A 15 -9.953 -1.672 4.730 1.00 0.00 C ATOM 301 CD2 LEU A 15 -11.774 -1.986 6.467 1.00 0.00 C ATOM 0 H LEU A 15 -7.264 -1.879 6.865 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.547 0.329 5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.187 -1.976 7.381 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.054 -0.588 8.008 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.987 -0.138 5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.712 -1.766 3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.173 -0.988 4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.516 -2.650 4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.497 -2.073 5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.417 -2.978 6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.250 -1.519 7.329 1.00 0.00 H new ATOM 313 N GLN A 16 -7.562 0.805 8.901 1.00 0.00 N ATOM 314 CA GLN A 16 -7.338 1.827 9.909 1.00 0.00 C ATOM 315 C GLN A 16 -6.756 3.088 9.267 1.00 0.00 C ATOM 316 O GLN A 16 -6.917 4.188 9.793 1.00 0.00 O ATOM 317 CB GLN A 16 -6.427 1.309 11.023 1.00 0.00 C ATOM 318 CG GLN A 16 -5.036 0.971 10.481 1.00 0.00 C ATOM 319 CD GLN A 16 -4.017 0.861 11.616 1.00 0.00 C ATOM 320 OE1 GLN A 16 -3.306 1.798 11.940 1.00 0.00 O ATOM 321 NE2 GLN A 16 -3.986 -0.333 12.201 1.00 0.00 N ATOM 0 H GLN A 16 -7.199 -0.117 9.141 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.298 2.082 10.359 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.343 2.061 11.808 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.870 0.422 11.477 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.075 0.031 9.930 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.719 1.740 9.777 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.609 -1.074 11.880 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.339 -0.507 12.970 1.00 0.00 H new ATOM 330 N CYS A 17 -6.092 2.886 8.138 1.00 0.00 N ATOM 331 CA CYS A 17 -5.485 3.992 7.418 1.00 0.00 C ATOM 332 C CYS A 17 -6.259 4.199 6.114 1.00 0.00 C ATOM 333 O CYS A 17 -6.814 5.236 5.739 1.00 0.00 O ATOM 334 CB CYS A 17 -3.995 3.754 7.166 1.00 0.00 C ATOM 335 SG CYS A 17 -3.017 3.361 8.662 1.00 0.00 S ATOM 0 H CYS A 17 -5.961 1.972 7.704 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.543 4.898 8.022 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.887 2.936 6.454 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.574 4.643 6.697 1.00 0.00 H new ATOM 340 N HIS A 18 -6.325 3.091 5.293 1.00 0.00 N ATOM 341 CA HIS A 18 -6.693 3.158 3.865 1.00 0.00 C ATOM 342 C HIS A 18 -8.065 2.594 3.524 1.00 0.00 C ATOM 343 O HIS A 18 -8.816 2.056 4.336 1.00 0.00 O ATOM 344 CB HIS A 18 -5.737 2.298 3.025 1.00 0.00 C ATOM 345 CG HIS A 18 -4.258 2.579 2.981 1.00 0.00 C ATOM 346 ND1 HIS A 18 -3.715 3.531 2.196 1.00 0.00 N ATOM 347 CD2 HIS A 18 -3.210 1.942 3.615 1.00 0.00 C ATOM 348 CE1 HIS A 18 -2.475 3.535 2.356 1.00 0.00 C ATOM 349 NE2 HIS A 18 -2.068 2.541 3.202 1.00 0.00 N ATOM 0 H HIS A 18 -6.123 2.145 5.618 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.661 4.226 3.650 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.854 1.269 3.366 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.097 2.336 1.997 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.233 4.149 1.571 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.287 1.119 4.311 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.806 4.239 1.883 1.00 0.00 H new ATOM 357 N THR A 19 -8.348 2.771 2.242 1.00 0.00 N ATOM 358 CA THR A 19 -9.614 2.324 1.687 1.00 0.00 C ATOM 359 C THR A 19 -9.402 1.711 0.301 1.00 0.00 C ATOM 360 O THR A 19 -8.677 2.266 -0.523 1.00 0.00 O ATOM 361 CB THR A 19 -10.576 3.514 1.684 1.00 0.00 C ATOM 362 OG1 THR A 19 -11.392 3.298 0.536 1.00 0.00 O ATOM 363 CG2 THR A 19 -9.867 4.839 1.395 1.00 0.00 C ATOM 0 H THR A 19 -7.722 3.218 1.572 1.00 0.00 H new ATOM 0 HA THR A 19 -10.054 1.533 2.294 1.00 0.00 H new ATOM 0 HB THR A 19 -11.081 3.576 2.648 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.896 3.552 -0.270 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.595 5.651 1.404 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.111 5.021 2.158 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.390 4.791 0.416 1.00 0.00 H new ATOM 371 N VAL A 20 -10.048 0.574 0.087 1.00 0.00 N ATOM 372 CA VAL A 20 -9.939 -0.121 -1.184 1.00 0.00 C ATOM 373 C VAL A 20 -10.983 0.435 -2.155 1.00 0.00 C ATOM 374 O VAL A 20 -10.707 0.599 -3.342 1.00 0.00 O ATOM 375 CB VAL A 20 -10.068 -1.630 -0.969 1.00 0.00 C ATOM 376 CG1 VAL A 20 -11.309 -1.962 -0.138 1.00 0.00 C ATOM 377 CG2 VAL A 20 -10.087 -2.375 -2.305 1.00 0.00 C ATOM 0 H VAL A 20 -10.649 0.117 0.773 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.958 0.048 -1.628 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.193 -1.964 -0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.377 -3.041 -0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.236 -1.476 0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -12.200 -1.606 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.179 -3.446 -2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.934 -2.034 -2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.161 -2.177 -2.845 1.00 0.00 H new ATOM 387 N GLU A 21 -12.161 0.710 -1.614 1.00 0.00 N ATOM 388 CA GLU A 21 -13.247 1.244 -2.417 1.00 0.00 C ATOM 389 C GLU A 21 -12.842 2.584 -3.035 1.00 0.00 C ATOM 390 O GLU A 21 -11.660 2.830 -3.271 1.00 0.00 O ATOM 391 CB GLU A 21 -14.525 1.387 -1.587 1.00 0.00 C ATOM 392 CG GLU A 21 -15.768 1.162 -2.450 1.00 0.00 C ATOM 393 CD GLU A 21 -16.643 0.049 -1.870 1.00 0.00 C ATOM 394 OE1 GLU A 21 -17.235 0.293 -0.796 1.00 0.00 O ATOM 395 OE2 GLU A 21 -16.701 -1.021 -2.514 1.00 0.00 O ATOM 0 H GLU A 21 -12.387 0.573 -0.629 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.454 0.542 -3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.512 0.669 -0.767 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.563 2.380 -1.140 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.343 2.086 -2.514 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.468 0.902 -3.465 1.00 0.00 H new ATOM 402 N LYS A 22 -13.845 3.415 -3.278 1.00 0.00 N ATOM 403 CA LYS A 22 -13.608 4.723 -3.864 1.00 0.00 C ATOM 404 C LYS A 22 -14.276 5.793 -2.998 1.00 0.00 C ATOM 405 O LYS A 22 -13.614 6.715 -2.523 1.00 0.00 O ATOM 406 CB LYS A 22 -14.058 4.746 -5.326 1.00 0.00 C ATOM 407 CG LYS A 22 -12.880 5.038 -6.258 1.00 0.00 C ATOM 408 CD LYS A 22 -13.321 5.017 -7.722 1.00 0.00 C ATOM 409 CE LYS A 22 -12.151 5.343 -8.652 1.00 0.00 C ATOM 410 NZ LYS A 22 -12.647 5.814 -9.965 1.00 0.00 N ATOM 0 H LYS A 22 -14.824 3.208 -3.080 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.541 4.945 -3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.504 3.787 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.830 5.504 -5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.454 6.012 -6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.095 4.298 -6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.724 4.035 -7.970 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.123 5.739 -7.874 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.521 6.109 -8.199 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.529 4.458 -8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.840 6.031 -10.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.229 5.072 -10.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.221 6.671 -9.832 1.00 0.00 H new ATOM 424 N GLY A 23 -15.579 5.635 -2.819 1.00 0.00 N ATOM 425 CA GLY A 23 -16.344 6.576 -2.019 1.00 0.00 C ATOM 426 C GLY A 23 -15.561 7.003 -0.776 1.00 0.00 C ATOM 427 O GLY A 23 -15.677 8.142 -0.325 1.00 0.00 O ATOM 0 H GLY A 23 -16.125 4.869 -3.214 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.589 7.453 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.288 6.121 -1.720 1.00 0.00 H new ATOM 431 N GLY A 24 -14.781 6.066 -0.257 1.00 0.00 N ATOM 432 CA GLY A 24 -13.978 6.331 0.925 1.00 0.00 C ATOM 433 C GLY A 24 -12.975 7.456 0.666 1.00 0.00 C ATOM 434 O GLY A 24 -12.179 7.380 -0.269 1.00 0.00 O ATOM 0 H GLY A 24 -14.688 5.122 -0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.628 6.603 1.757 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.447 5.426 1.218 1.00 0.00 H new ATOM 438 N PRO A 25 -13.047 8.502 1.533 1.00 0.00 N ATOM 439 CA PRO A 25 -12.155 9.642 1.407 1.00 0.00 C ATOM 440 C PRO A 25 -10.747 9.292 1.892 1.00 0.00 C ATOM 441 O PRO A 25 -10.469 8.140 2.225 1.00 0.00 O ATOM 442 CB PRO A 25 -12.808 10.745 2.224 1.00 0.00 C ATOM 443 CG PRO A 25 -13.792 10.050 3.151 1.00 0.00 C ATOM 444 CD PRO A 25 -13.977 8.626 2.652 1.00 0.00 C ATOM 0 HA PRO A 25 -12.020 9.958 0.373 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.064 11.303 2.792 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.318 11.460 1.578 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.417 10.050 4.175 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.746 10.578 3.161 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.755 7.900 3.434 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.004 8.448 2.335 1.00 0.00 H new ATOM 452 N HIS A 26 -9.895 10.306 1.918 1.00 0.00 N ATOM 453 CA HIS A 26 -8.522 10.120 2.357 1.00 0.00 C ATOM 454 C HIS A 26 -8.442 10.289 3.875 1.00 0.00 C ATOM 455 O HIS A 26 -9.027 11.217 4.432 1.00 0.00 O ATOM 456 CB HIS A 26 -7.579 11.062 1.605 1.00 0.00 C ATOM 457 CG HIS A 26 -7.597 10.881 0.106 1.00 0.00 C ATOM 458 ND1 HIS A 26 -7.576 9.637 -0.500 1.00 0.00 N ATOM 459 CD2 HIS A 26 -7.636 11.799 -0.902 1.00 0.00 C ATOM 460 CE1 HIS A 26 -7.600 9.810 -1.813 1.00 0.00 C ATOM 461 NE2 HIS A 26 -7.637 11.151 -2.060 1.00 0.00 N ATOM 0 H HIS A 26 -10.129 11.260 1.642 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.195 9.107 2.121 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.848 12.092 1.840 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.563 10.907 1.967 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.662 12.872 -0.779 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -7.592 9.027 -2.557 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -7.661 11.584 -2.983 1.00 0.00 H new ATOM 469 N LYS A 27 -7.713 9.377 4.502 1.00 0.00 N ATOM 470 CA LYS A 27 -7.548 9.414 5.945 1.00 0.00 C ATOM 471 C LYS A 27 -6.057 9.474 6.283 1.00 0.00 C ATOM 472 O LYS A 27 -5.452 10.544 6.249 1.00 0.00 O ATOM 473 CB LYS A 27 -8.280 8.238 6.597 1.00 0.00 C ATOM 474 CG LYS A 27 -9.684 8.647 7.046 1.00 0.00 C ATOM 475 CD LYS A 27 -10.252 7.644 8.052 1.00 0.00 C ATOM 476 CE LYS A 27 -10.822 6.416 7.339 1.00 0.00 C ATOM 477 NZ LYS A 27 -11.859 5.768 8.173 1.00 0.00 N ATOM 0 H LYS A 27 -7.230 8.608 4.037 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.004 10.314 6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.347 7.410 5.891 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.710 7.880 7.454 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.651 9.639 7.496 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.342 8.711 6.180 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.469 7.336 8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.033 8.120 8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.249 6.710 6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.022 5.707 7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.236 4.936 7.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.441 5.470 9.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.630 6.442 8.354 1.00 0.00 H new ATOM 491 N VAL A 28 -5.508 8.311 6.601 1.00 0.00 N ATOM 492 CA VAL A 28 -4.099 8.218 6.945 1.00 0.00 C ATOM 493 C VAL A 28 -3.299 7.834 5.698 1.00 0.00 C ATOM 494 O VAL A 28 -2.107 8.125 5.608 1.00 0.00 O ATOM 495 CB VAL A 28 -3.907 7.238 8.104 1.00 0.00 C ATOM 496 CG1 VAL A 28 -2.447 7.209 8.560 1.00 0.00 C ATOM 497 CG2 VAL A 28 -4.839 7.577 9.269 1.00 0.00 C ATOM 0 H VAL A 28 -6.013 7.425 6.628 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.724 9.183 7.288 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.167 6.241 7.747 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.337 6.505 9.385 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.813 6.898 7.730 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.149 8.204 8.891 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.682 6.865 10.079 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.625 8.585 9.625 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.875 7.523 8.934 1.00 0.00 H new ATOM 507 N GLY A 29 -3.986 7.188 4.768 1.00 0.00 N ATOM 508 CA GLY A 29 -3.355 6.762 3.531 1.00 0.00 C ATOM 509 C GLY A 29 -4.273 7.008 2.333 1.00 0.00 C ATOM 510 O GLY A 29 -5.493 7.070 2.483 1.00 0.00 O ATOM 0 H GLY A 29 -4.974 6.949 4.846 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.418 7.301 3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.107 5.702 3.592 1.00 0.00 H new ATOM 514 N PRO A 30 -3.637 7.146 1.139 1.00 0.00 N ATOM 515 CA PRO A 30 -4.383 7.384 -0.084 1.00 0.00 C ATOM 516 C PRO A 30 -5.076 6.106 -0.562 1.00 0.00 C ATOM 517 O PRO A 30 -4.547 5.009 -0.392 1.00 0.00 O ATOM 518 CB PRO A 30 -3.358 7.910 -1.075 1.00 0.00 C ATOM 519 CG PRO A 30 -2.000 7.509 -0.521 1.00 0.00 C ATOM 520 CD PRO A 30 -2.194 7.079 0.923 1.00 0.00 C ATOM 0 HA PRO A 30 -5.192 8.102 0.051 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.517 7.484 -2.065 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.434 8.992 -1.178 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.574 6.695 -1.108 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.302 8.344 -0.580 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.815 6.071 1.090 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.660 7.738 1.608 1.00 0.00 H new ATOM 528 N ASN A 31 -6.249 6.291 -1.149 1.00 0.00 N ATOM 529 CA ASN A 31 -7.019 5.167 -1.653 1.00 0.00 C ATOM 530 C ASN A 31 -6.160 4.363 -2.631 1.00 0.00 C ATOM 531 O ASN A 31 -5.594 4.921 -3.569 1.00 0.00 O ATOM 532 CB ASN A 31 -8.266 5.643 -2.400 1.00 0.00 C ATOM 533 CG ASN A 31 -9.532 5.018 -1.810 1.00 0.00 C ATOM 534 OD1 ASN A 31 -9.802 3.838 -1.962 1.00 0.00 O ATOM 535 ND2 ASN A 31 -10.290 5.873 -1.129 1.00 0.00 N ATOM 0 H ASN A 31 -6.685 7.203 -1.287 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.320 4.557 -0.802 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.334 6.730 -2.346 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.184 5.381 -3.455 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.156 5.553 -0.695 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.005 6.848 -1.040 1.00 0.00 H new ATOM 542 N LEU A 32 -6.091 3.064 -2.378 1.00 0.00 N ATOM 543 CA LEU A 32 -5.310 2.178 -3.225 1.00 0.00 C ATOM 544 C LEU A 32 -6.165 1.730 -4.412 1.00 0.00 C ATOM 545 O LEU A 32 -5.855 2.046 -5.559 1.00 0.00 O ATOM 546 CB LEU A 32 -4.740 1.018 -2.405 1.00 0.00 C ATOM 547 CG LEU A 32 -3.924 1.407 -1.171 1.00 0.00 C ATOM 548 CD1 LEU A 32 -3.577 0.175 -0.333 1.00 0.00 C ATOM 549 CD2 LEU A 32 -2.678 2.201 -1.565 1.00 0.00 C ATOM 0 H LEU A 32 -6.563 2.604 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.447 2.704 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.567 0.385 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.110 0.413 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.537 2.059 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.997 0.479 0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.495 -0.313 -0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.991 -0.521 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.116 2.465 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.052 1.595 -2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.976 3.110 -2.087 1.00 0.00 H new ATOM 561 N HIS A 33 -7.225 1.000 -4.095 1.00 0.00 N ATOM 562 CA HIS A 33 -8.127 0.505 -5.121 1.00 0.00 C ATOM 563 C HIS A 33 -7.434 -0.596 -5.926 1.00 0.00 C ATOM 564 O HIS A 33 -6.622 -1.346 -5.387 1.00 0.00 O ATOM 565 CB HIS A 33 -8.633 1.652 -5.998 1.00 0.00 C ATOM 566 CG HIS A 33 -10.098 1.555 -6.352 1.00 0.00 C ATOM 567 ND1 HIS A 33 -10.862 0.434 -6.078 1.00 0.00 N ATOM 568 CD2 HIS A 33 -10.929 2.449 -6.959 1.00 0.00 C ATOM 569 CE1 HIS A 33 -12.097 0.655 -6.506 1.00 0.00 C ATOM 570 NE2 HIS A 33 -12.136 1.904 -7.052 1.00 0.00 N ATOM 0 H HIS A 33 -7.479 0.740 -3.142 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.008 0.065 -4.654 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.456 2.596 -5.482 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.049 1.678 -6.918 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -10.531 -0.417 -5.624 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.652 3.434 -7.306 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.926 -0.033 -6.435 1.00 0.00 H new ATOM 578 N GLY A 34 -7.781 -0.659 -7.203 1.00 0.00 N ATOM 579 CA GLY A 34 -7.203 -1.656 -8.088 1.00 0.00 C ATOM 580 C GLY A 34 -5.797 -1.247 -8.530 1.00 0.00 C ATOM 581 O GLY A 34 -5.537 -1.094 -9.723 1.00 0.00 O ATOM 0 H GLY A 34 -8.456 -0.035 -7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.162 -2.619 -7.579 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.840 -1.784 -8.963 1.00 0.00 H new ATOM 585 N ILE A 35 -4.926 -1.081 -7.545 1.00 0.00 N ATOM 586 CA ILE A 35 -3.553 -0.692 -7.818 1.00 0.00 C ATOM 587 C ILE A 35 -2.892 -1.755 -8.699 1.00 0.00 C ATOM 588 O ILE A 35 -3.534 -2.322 -9.581 1.00 0.00 O ATOM 589 CB ILE A 35 -2.803 -0.423 -6.512 1.00 0.00 C ATOM 590 CG1 ILE A 35 -2.544 -1.724 -5.749 1.00 0.00 C ATOM 591 CG2 ILE A 35 -3.544 0.606 -5.656 1.00 0.00 C ATOM 592 CD1 ILE A 35 -3.475 -1.845 -4.541 1.00 0.00 C ATOM 0 H ILE A 35 -5.145 -1.209 -6.557 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.526 0.245 -8.374 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.831 0.004 -6.759 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.692 -2.575 -6.414 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.506 -1.755 -5.417 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.990 0.779 -4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.632 1.542 -6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.539 0.231 -5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.271 -2.778 -4.016 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.307 -1.005 -3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.511 -1.838 -4.878 1.00 0.00 H new ATOM 604 N PHE A 36 -1.617 -1.993 -8.428 1.00 0.00 N ATOM 605 CA PHE A 36 -0.862 -2.977 -9.185 1.00 0.00 C ATOM 606 C PHE A 36 -0.875 -2.648 -10.679 1.00 0.00 C ATOM 607 O PHE A 36 -1.928 -2.665 -11.313 1.00 0.00 O ATOM 608 CB PHE A 36 -1.545 -4.329 -8.967 1.00 0.00 C ATOM 609 CG PHE A 36 -1.541 -4.800 -7.511 1.00 0.00 C ATOM 610 CD1 PHE A 36 -0.417 -4.670 -6.757 1.00 0.00 C ATOM 611 CD2 PHE A 36 -2.662 -5.350 -6.971 1.00 0.00 C ATOM 612 CE1 PHE A 36 -0.413 -5.108 -5.406 1.00 0.00 C ATOM 613 CE2 PHE A 36 -2.659 -5.788 -5.621 1.00 0.00 C ATOM 614 CZ PHE A 36 -1.534 -5.658 -4.867 1.00 0.00 C ATOM 0 H PHE A 36 -1.088 -1.521 -7.695 1.00 0.00 H new ATOM 0 HA PHE A 36 0.176 -2.986 -8.852 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.576 -4.264 -9.314 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.048 -5.079 -9.582 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.473 -4.234 -7.186 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.555 -5.453 -7.570 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.480 -5.004 -4.807 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.549 -6.224 -5.193 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.531 -5.992 -3.840 1.00 0.00 H new ATOM 624 N GLY A 37 0.309 -2.355 -11.197 1.00 0.00 N ATOM 625 CA GLY A 37 0.447 -2.022 -12.605 1.00 0.00 C ATOM 626 C GLY A 37 0.858 -0.559 -12.784 1.00 0.00 C ATOM 627 O GLY A 37 1.557 -0.220 -13.738 1.00 0.00 O ATOM 0 H GLY A 37 1.181 -2.341 -10.668 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.192 -2.672 -13.065 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.496 -2.204 -13.120 1.00 0.00 H new ATOM 631 N ARG A 38 0.407 0.268 -11.853 1.00 0.00 N ATOM 632 CA ARG A 38 0.719 1.686 -11.896 1.00 0.00 C ATOM 633 C ARG A 38 2.039 1.961 -11.174 1.00 0.00 C ATOM 634 O ARG A 38 2.589 1.077 -10.520 1.00 0.00 O ATOM 635 CB ARG A 38 -0.392 2.515 -11.248 1.00 0.00 C ATOM 636 CG ARG A 38 -1.393 3.005 -12.295 1.00 0.00 C ATOM 637 CD ARG A 38 -0.857 4.235 -13.032 1.00 0.00 C ATOM 638 NE ARG A 38 -1.654 4.479 -14.255 1.00 0.00 N ATOM 639 CZ ARG A 38 -1.426 3.882 -15.433 1.00 0.00 C ATOM 640 NH1 ARG A 38 -0.422 3.003 -15.554 1.00 0.00 N ATOM 641 NH2 ARG A 38 -2.200 4.165 -16.489 1.00 0.00 N ATOM 0 H ARG A 38 -0.173 -0.017 -11.064 1.00 0.00 H new ATOM 0 HA ARG A 38 0.807 1.974 -12.943 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.909 1.915 -10.499 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.043 3.369 -10.728 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.596 2.208 -13.010 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.339 3.249 -11.812 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.900 5.107 -12.380 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.190 4.084 -13.294 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.426 5.144 -14.198 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.168 2.789 -14.750 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.248 2.548 -16.450 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.963 4.835 -16.397 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.026 3.710 -17.385 1.00 0.00 H new ATOM 655 N HIS A 39 2.510 3.192 -11.318 1.00 0.00 N ATOM 656 CA HIS A 39 3.755 3.595 -10.687 1.00 0.00 C ATOM 657 C HIS A 39 3.453 4.377 -9.408 1.00 0.00 C ATOM 658 O HIS A 39 2.872 5.460 -9.461 1.00 0.00 O ATOM 659 CB HIS A 39 4.632 4.376 -11.667 1.00 0.00 C ATOM 660 CG HIS A 39 4.759 3.732 -13.027 1.00 0.00 C ATOM 661 ND1 HIS A 39 3.800 3.871 -14.015 1.00 0.00 N ATOM 662 CD2 HIS A 39 5.742 2.945 -13.552 1.00 0.00 C ATOM 663 CE1 HIS A 39 4.197 3.193 -15.082 1.00 0.00 C ATOM 664 NE2 HIS A 39 5.400 2.619 -14.793 1.00 0.00 N ATOM 0 H HIS A 39 2.052 3.923 -11.862 1.00 0.00 H new ATOM 0 HA HIS A 39 4.326 2.711 -10.404 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.220 5.378 -11.788 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.627 4.490 -11.236 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.645 2.639 -13.044 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.662 3.110 -16.016 1.00 0.00 H new ATOM 0 HE2 HIS A 39 5.947 2.035 -15.426 1.00 0.00 H new ATOM 672 N SER A 40 3.861 3.798 -8.288 1.00 0.00 N ATOM 673 CA SER A 40 3.641 4.428 -6.997 1.00 0.00 C ATOM 674 C SER A 40 2.280 5.126 -6.980 1.00 0.00 C ATOM 675 O SER A 40 1.383 4.763 -7.739 1.00 0.00 O ATOM 676 CB SER A 40 4.754 5.427 -6.675 1.00 0.00 C ATOM 677 OG SER A 40 4.693 6.582 -7.508 1.00 0.00 O ATOM 0 H SER A 40 4.343 2.900 -8.248 1.00 0.00 H new ATOM 0 HA SER A 40 3.653 3.652 -6.232 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.679 5.729 -5.630 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.723 4.942 -6.798 1.00 0.00 H new ATOM 0 HG SER A 40 4.100 6.406 -8.268 1.00 0.00 H new ATOM 683 N GLY A 41 2.169 6.116 -6.107 1.00 0.00 N ATOM 684 CA GLY A 41 0.933 6.869 -5.981 1.00 0.00 C ATOM 685 C GLY A 41 0.249 7.031 -7.341 1.00 0.00 C ATOM 686 O GLY A 41 0.914 7.056 -8.375 1.00 0.00 O ATOM 0 H GLY A 41 2.916 6.414 -5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.261 6.359 -5.290 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.143 7.851 -5.556 1.00 0.00 H new ATOM 690 N GLN A 42 -1.071 7.136 -7.294 1.00 0.00 N ATOM 691 CA GLN A 42 -1.852 7.295 -8.509 1.00 0.00 C ATOM 692 C GLN A 42 -3.000 8.279 -8.278 1.00 0.00 C ATOM 693 O GLN A 42 -4.043 8.184 -8.922 1.00 0.00 O ATOM 694 CB GLN A 42 -2.378 5.945 -9.003 1.00 0.00 C ATOM 695 CG GLN A 42 -1.307 4.860 -8.878 1.00 0.00 C ATOM 696 CD GLN A 42 -1.924 3.465 -8.993 1.00 0.00 C ATOM 697 OE1 GLN A 42 -2.929 3.255 -9.652 1.00 0.00 O ATOM 698 NE2 GLN A 42 -1.267 2.526 -8.317 1.00 0.00 N ATOM 0 H GLN A 42 -1.619 7.114 -6.434 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.202 7.701 -9.284 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.258 5.660 -8.426 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.693 6.032 -10.043 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.556 4.994 -9.656 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.795 4.958 -7.920 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.432 2.771 -7.785 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.599 1.562 -8.331 1.00 0.00 H new ATOM 707 N ALA A 43 -2.769 9.202 -7.356 1.00 0.00 N ATOM 708 CA ALA A 43 -3.770 10.203 -7.031 1.00 0.00 C ATOM 709 C ALA A 43 -3.073 11.507 -6.635 1.00 0.00 C ATOM 710 O ALA A 43 -1.960 11.485 -6.113 1.00 0.00 O ATOM 711 CB ALA A 43 -4.684 9.671 -5.925 1.00 0.00 C ATOM 0 H ALA A 43 -1.902 9.277 -6.823 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.396 10.415 -7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.435 10.422 -5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.178 8.762 -6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.091 9.450 -5.038 1.00 0.00 H new ATOM 717 N GLU A 44 -3.758 12.610 -6.899 1.00 0.00 N ATOM 718 CA GLU A 44 -3.218 13.920 -6.577 1.00 0.00 C ATOM 719 C GLU A 44 -3.988 14.538 -5.408 1.00 0.00 C ATOM 720 O GLU A 44 -3.407 15.233 -4.576 1.00 0.00 O ATOM 721 CB GLU A 44 -3.246 14.840 -7.799 1.00 0.00 C ATOM 722 CG GLU A 44 -2.056 14.562 -8.721 1.00 0.00 C ATOM 723 CD GLU A 44 -1.626 15.832 -9.459 1.00 0.00 C ATOM 724 OE1 GLU A 44 -1.792 16.918 -8.863 1.00 0.00 O ATOM 725 OE2 GLU A 44 -1.141 15.687 -10.602 1.00 0.00 O ATOM 0 H GLU A 44 -4.681 12.624 -7.332 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.177 13.799 -6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.177 14.695 -8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.225 15.881 -7.476 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.221 14.176 -8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.323 13.790 -9.443 1.00 0.00 H new ATOM 732 N GLY A 45 -5.284 14.263 -5.383 1.00 0.00 N ATOM 733 CA GLY A 45 -6.139 14.784 -4.330 1.00 0.00 C ATOM 734 C GLY A 45 -5.431 14.737 -2.975 1.00 0.00 C ATOM 735 O GLY A 45 -5.345 15.749 -2.280 1.00 0.00 O ATOM 0 H GLY A 45 -5.763 13.686 -6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.422 15.811 -4.561 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.060 14.203 -4.283 1.00 0.00 H new ATOM 739 N TYR A 46 -4.942 13.552 -2.640 1.00 0.00 N ATOM 740 CA TYR A 46 -4.243 13.360 -1.380 1.00 0.00 C ATOM 741 C TYR A 46 -2.858 14.009 -1.416 1.00 0.00 C ATOM 742 O TYR A 46 -2.086 13.779 -2.346 1.00 0.00 O ATOM 743 CB TYR A 46 -4.081 11.848 -1.214 1.00 0.00 C ATOM 744 CG TYR A 46 -3.806 11.406 0.225 1.00 0.00 C ATOM 745 CD1 TYR A 46 -2.766 11.971 0.934 1.00 0.00 C ATOM 746 CD2 TYR A 46 -4.599 10.442 0.814 1.00 0.00 C ATOM 747 CE1 TYR A 46 -2.507 11.555 2.288 1.00 0.00 C ATOM 748 CE2 TYR A 46 -4.340 10.025 2.168 1.00 0.00 C ATOM 749 CZ TYR A 46 -3.307 10.603 2.838 1.00 0.00 C ATOM 750 OH TYR A 46 -3.063 10.209 4.117 1.00 0.00 O ATOM 0 H TYR A 46 -5.016 12.715 -3.219 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.799 13.813 -0.560 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.986 11.355 -1.568 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.264 11.508 -1.850 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.146 12.726 0.473 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.414 10.000 0.259 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.696 11.989 2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.952 9.271 2.640 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.862 10.362 4.664 1.00 0.00 H new ATOM 760 N SER A 47 -2.586 14.806 -0.394 1.00 0.00 N ATOM 761 CA SER A 47 -1.307 15.489 -0.297 1.00 0.00 C ATOM 762 C SER A 47 -0.180 14.469 -0.130 1.00 0.00 C ATOM 763 O SER A 47 0.273 14.216 0.986 1.00 0.00 O ATOM 764 CB SER A 47 -1.300 16.483 0.866 1.00 0.00 C ATOM 765 OG SER A 47 -1.398 15.829 2.128 1.00 0.00 O ATOM 0 H SER A 47 -3.229 14.994 0.375 1.00 0.00 H new ATOM 0 HA SER A 47 -1.148 16.049 -1.219 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.384 17.073 0.833 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.131 17.179 0.753 1.00 0.00 H new ATOM 0 HG SER A 47 -0.758 15.088 2.163 1.00 0.00 H new ATOM 771 N TYR A 48 0.241 13.910 -1.255 1.00 0.00 N ATOM 772 CA TYR A 48 1.307 12.923 -1.247 1.00 0.00 C ATOM 773 C TYR A 48 2.642 13.559 -0.853 1.00 0.00 C ATOM 774 O TYR A 48 2.697 14.746 -0.535 1.00 0.00 O ATOM 775 CB TYR A 48 1.409 12.400 -2.681 1.00 0.00 C ATOM 776 CG TYR A 48 0.755 11.033 -2.893 1.00 0.00 C ATOM 777 CD1 TYR A 48 -0.617 10.905 -2.818 1.00 0.00 C ATOM 778 CD2 TYR A 48 1.538 9.928 -3.160 1.00 0.00 C ATOM 779 CE1 TYR A 48 -1.232 9.618 -3.018 1.00 0.00 C ATOM 780 CE2 TYR A 48 0.923 8.641 -3.359 1.00 0.00 C ATOM 781 CZ TYR A 48 -0.431 8.550 -3.278 1.00 0.00 C ATOM 782 OH TYR A 48 -1.012 7.334 -3.467 1.00 0.00 O ATOM 0 H TYR A 48 -0.137 14.122 -2.178 1.00 0.00 H new ATOM 0 HA TYR A 48 1.092 12.133 -0.528 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.945 13.121 -3.354 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.461 12.335 -2.959 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.230 11.770 -2.609 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.612 10.029 -3.220 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.305 9.504 -2.963 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.524 7.768 -3.568 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.498 7.332 -4.318 1.00 0.00 H new ATOM 792 N THR A 49 3.684 12.742 -0.888 1.00 0.00 N ATOM 793 CA THR A 49 5.014 13.210 -0.538 1.00 0.00 C ATOM 794 C THR A 49 5.896 13.290 -1.786 1.00 0.00 C ATOM 795 O THR A 49 5.430 13.041 -2.897 1.00 0.00 O ATOM 796 CB THR A 49 5.573 12.284 0.543 1.00 0.00 C ATOM 797 OG1 THR A 49 5.922 11.096 -0.163 1.00 0.00 O ATOM 798 CG2 THR A 49 4.500 11.826 1.534 1.00 0.00 C ATOM 0 H THR A 49 3.634 11.758 -1.153 1.00 0.00 H new ATOM 0 HA THR A 49 4.984 14.222 -0.134 1.00 0.00 H new ATOM 0 HB THR A 49 6.371 12.796 1.082 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.295 10.441 0.463 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.950 11.171 2.280 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.066 12.695 2.028 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.719 11.285 1.000 1.00 0.00 H new ATOM 806 N ASP A 50 7.155 13.637 -1.560 1.00 0.00 N ATOM 807 CA ASP A 50 8.106 13.752 -2.652 1.00 0.00 C ATOM 808 C ASP A 50 9.059 12.555 -2.621 1.00 0.00 C ATOM 809 O ASP A 50 10.162 12.621 -3.162 1.00 0.00 O ATOM 810 CB ASP A 50 8.943 15.026 -2.522 1.00 0.00 C ATOM 811 CG ASP A 50 8.756 16.041 -3.651 1.00 0.00 C ATOM 812 OD1 ASP A 50 7.727 15.928 -4.351 1.00 0.00 O ATOM 813 OD2 ASP A 50 9.646 16.908 -3.788 1.00 0.00 O ATOM 0 H ASP A 50 7.538 13.842 -0.637 1.00 0.00 H new ATOM 0 HA ASP A 50 7.545 13.783 -3.586 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.698 15.509 -1.576 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.996 14.748 -2.475 1.00 0.00 H new ATOM 818 N ALA A 51 8.599 11.489 -1.983 1.00 0.00 N ATOM 819 CA ALA A 51 9.396 10.279 -1.874 1.00 0.00 C ATOM 820 C ALA A 51 8.734 9.163 -2.684 1.00 0.00 C ATOM 821 O ALA A 51 9.348 8.600 -3.589 1.00 0.00 O ATOM 822 CB ALA A 51 9.564 9.909 -0.399 1.00 0.00 C ATOM 0 H ALA A 51 7.684 11.438 -1.536 1.00 0.00 H new ATOM 0 HA ALA A 51 10.393 10.438 -2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.162 9.001 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.066 10.722 0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.584 9.739 0.047 1.00 0.00 H new ATOM 828 N ASN A 52 7.490 8.876 -2.329 1.00 0.00 N ATOM 829 CA ASN A 52 6.738 7.836 -3.011 1.00 0.00 C ATOM 830 C ASN A 52 6.615 8.192 -4.494 1.00 0.00 C ATOM 831 O ASN A 52 7.267 7.581 -5.339 1.00 0.00 O ATOM 832 CB ASN A 52 5.326 7.710 -2.436 1.00 0.00 C ATOM 833 CG ASN A 52 5.053 6.282 -1.960 1.00 0.00 C ATOM 834 OD1 ASN A 52 5.222 5.316 -2.686 1.00 0.00 O ATOM 835 ND2 ASN A 52 4.623 6.204 -0.704 1.00 0.00 N ATOM 0 H ASN A 52 6.984 9.345 -1.578 1.00 0.00 H new ATOM 0 HA ASN A 52 7.267 6.893 -2.876 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.205 8.404 -1.604 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.595 7.991 -3.194 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.413 5.295 -0.293 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.504 7.053 -0.152 1.00 0.00 H new ATOM 842 N ILE A 53 5.775 9.180 -4.765 1.00 0.00 N ATOM 843 CA ILE A 53 5.558 9.625 -6.131 1.00 0.00 C ATOM 844 C ILE A 53 6.892 9.628 -6.880 1.00 0.00 C ATOM 845 O ILE A 53 6.948 9.278 -8.058 1.00 0.00 O ATOM 846 CB ILE A 53 4.840 10.976 -6.147 1.00 0.00 C ATOM 847 CG1 ILE A 53 3.332 10.798 -5.963 1.00 0.00 C ATOM 848 CG2 ILE A 53 5.173 11.758 -7.419 1.00 0.00 C ATOM 849 CD1 ILE A 53 2.653 12.137 -5.669 1.00 0.00 C ATOM 0 H ILE A 53 5.236 9.685 -4.061 1.00 0.00 H new ATOM 0 HA ILE A 53 4.899 8.934 -6.657 1.00 0.00 H new ATOM 0 HB ILE A 53 5.200 11.564 -5.303 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.902 10.358 -6.863 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.141 10.103 -5.146 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.650 12.714 -7.406 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.248 11.933 -7.468 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.859 11.185 -8.291 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.582 11.982 -5.543 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.068 12.563 -4.755 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.825 12.822 -6.499 1.00 0.00 H new ATOM 861 N LYS A 54 7.934 10.027 -6.165 1.00 0.00 N ATOM 862 CA LYS A 54 9.264 10.081 -6.747 1.00 0.00 C ATOM 863 C LYS A 54 9.935 8.714 -6.602 1.00 0.00 C ATOM 864 O LYS A 54 11.093 8.626 -6.195 1.00 0.00 O ATOM 865 CB LYS A 54 10.070 11.229 -6.137 1.00 0.00 C ATOM 866 CG LYS A 54 9.340 12.563 -6.306 1.00 0.00 C ATOM 867 CD LYS A 54 9.676 13.205 -7.654 1.00 0.00 C ATOM 868 CE LYS A 54 9.147 14.639 -7.725 1.00 0.00 C ATOM 869 NZ LYS A 54 10.269 15.604 -7.753 1.00 0.00 N ATOM 0 H LYS A 54 7.884 10.316 -5.188 1.00 0.00 H new ATOM 0 HA LYS A 54 9.204 10.296 -7.814 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.241 11.036 -5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.049 11.284 -6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.264 12.405 -6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.619 13.239 -5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.756 13.204 -7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.243 12.613 -8.461 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.531 14.762 -8.616 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.508 14.840 -6.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.893 16.572 -7.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.840 15.497 -6.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.863 15.422 -8.587 1.00 0.00 H new ATOM 883 N LYS A 55 9.179 7.680 -6.944 1.00 0.00 N ATOM 884 CA LYS A 55 9.686 6.321 -6.857 1.00 0.00 C ATOM 885 C LYS A 55 9.212 5.526 -8.074 1.00 0.00 C ATOM 886 O LYS A 55 10.000 4.824 -8.707 1.00 0.00 O ATOM 887 CB LYS A 55 9.297 5.689 -5.519 1.00 0.00 C ATOM 888 CG LYS A 55 10.311 4.623 -5.100 1.00 0.00 C ATOM 889 CD LYS A 55 11.528 5.259 -4.424 1.00 0.00 C ATOM 890 CE LYS A 55 12.660 5.479 -5.429 1.00 0.00 C ATOM 891 NZ LYS A 55 13.976 5.322 -4.769 1.00 0.00 N ATOM 0 H LYS A 55 8.220 7.757 -7.282 1.00 0.00 H new ATOM 0 HA LYS A 55 10.776 6.318 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.238 6.461 -4.752 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.306 5.242 -5.598 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.840 3.916 -4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.631 4.057 -5.975 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.244 6.211 -3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.875 4.618 -3.614 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.570 4.766 -6.249 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.581 6.476 -5.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.734 5.474 -5.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.065 6.019 -4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.055 4.362 -4.376 1.00 0.00 H new ATOM 905 N ASN A 56 7.927 5.661 -8.366 1.00 0.00 N ATOM 906 CA ASN A 56 7.339 4.964 -9.497 1.00 0.00 C ATOM 907 C ASN A 56 7.297 3.464 -9.200 1.00 0.00 C ATOM 908 O ASN A 56 7.212 2.648 -10.117 1.00 0.00 O ATOM 909 CB ASN A 56 8.169 5.172 -10.765 1.00 0.00 C ATOM 910 CG ASN A 56 7.395 5.992 -11.799 1.00 0.00 C ATOM 911 OD1 ASN A 56 7.103 5.540 -12.895 1.00 0.00 O ATOM 912 ND2 ASN A 56 7.081 7.218 -11.392 1.00 0.00 N ATOM 0 H ASN A 56 7.276 6.243 -7.839 1.00 0.00 H new ATOM 0 HA ASN A 56 6.336 5.362 -9.654 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.100 5.681 -10.515 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.438 4.205 -11.190 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.565 7.844 -12.010 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.356 7.533 -10.462 1.00 0.00 H new ATOM 919 N VAL A 57 7.360 3.145 -7.916 1.00 0.00 N ATOM 920 CA VAL A 57 7.330 1.758 -7.486 1.00 0.00 C ATOM 921 C VAL A 57 6.157 1.044 -8.161 1.00 0.00 C ATOM 922 O VAL A 57 5.038 1.064 -7.652 1.00 0.00 O ATOM 923 CB VAL A 57 7.276 1.683 -5.959 1.00 0.00 C ATOM 924 CG1 VAL A 57 6.186 2.602 -5.404 1.00 0.00 C ATOM 925 CG2 VAL A 57 7.071 0.242 -5.487 1.00 0.00 C ATOM 0 H VAL A 57 7.432 3.824 -7.159 1.00 0.00 H new ATOM 0 HA VAL A 57 8.242 1.245 -7.791 1.00 0.00 H new ATOM 0 HB VAL A 57 8.235 2.028 -5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.168 2.530 -4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.394 3.631 -5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.218 2.300 -5.803 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.036 0.217 -4.398 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.134 -0.143 -5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.897 -0.377 -5.838 1.00 0.00 H new ATOM 935 N LEU A 58 6.454 0.431 -9.298 1.00 0.00 N ATOM 936 CA LEU A 58 5.438 -0.287 -10.048 1.00 0.00 C ATOM 937 C LEU A 58 4.834 -1.380 -9.164 1.00 0.00 C ATOM 938 O LEU A 58 5.420 -2.451 -9.007 1.00 0.00 O ATOM 939 CB LEU A 58 6.014 -0.810 -11.365 1.00 0.00 C ATOM 940 CG LEU A 58 5.004 -1.054 -12.489 1.00 0.00 C ATOM 941 CD1 LEU A 58 5.588 -0.657 -13.846 1.00 0.00 C ATOM 942 CD2 LEU A 58 4.512 -2.503 -12.479 1.00 0.00 C ATOM 0 H LEU A 58 7.384 0.417 -9.718 1.00 0.00 H new ATOM 0 HA LEU A 58 4.625 0.384 -10.326 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.759 -0.098 -11.721 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.537 -1.745 -11.164 1.00 0.00 H new ATOM 0 HG LEU A 58 4.137 -0.418 -12.313 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.850 -0.840 -14.627 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.849 0.401 -13.834 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.482 -1.249 -14.045 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.796 -2.650 -13.287 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.358 -3.176 -12.618 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.031 -2.717 -11.525 1.00 0.00 H new ATOM 954 N TRP A 59 3.671 -1.073 -8.608 1.00 0.00 N ATOM 955 CA TRP A 59 2.982 -2.016 -7.744 1.00 0.00 C ATOM 956 C TRP A 59 2.625 -3.247 -8.578 1.00 0.00 C ATOM 957 O TRP A 59 2.162 -3.122 -9.711 1.00 0.00 O ATOM 958 CB TRP A 59 1.764 -1.366 -7.085 1.00 0.00 C ATOM 959 CG TRP A 59 2.074 -0.053 -6.363 1.00 0.00 C ATOM 960 CD1 TRP A 59 1.583 1.167 -6.623 1.00 0.00 C ATOM 961 CD2 TRP A 59 2.969 0.124 -5.245 1.00 0.00 C ATOM 962 NE1 TRP A 59 2.095 2.113 -5.758 1.00 0.00 N ATOM 963 CE2 TRP A 59 2.964 1.458 -4.893 1.00 0.00 C ATOM 964 CE3 TRP A 59 3.757 -0.813 -4.554 1.00 0.00 C ATOM 965 CZ2 TRP A 59 3.728 1.977 -3.841 1.00 0.00 C ATOM 966 CZ3 TRP A 59 4.515 -0.279 -3.504 1.00 0.00 C ATOM 967 CH2 TRP A 59 4.521 1.061 -3.138 1.00 0.00 C ATOM 0 H TRP A 59 3.188 -0.184 -8.739 1.00 0.00 H new ATOM 0 HA TRP A 59 3.626 -2.328 -6.922 1.00 0.00 H new ATOM 0 HB2 TRP A 59 1.007 -1.180 -7.847 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.332 -2.068 -6.372 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.876 1.383 -7.410 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.876 3.109 -5.754 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.776 -1.861 -4.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.707 3.026 -3.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 5.138 -0.957 -2.939 1.00 0.00 H new ATOM 0 HH2 TRP A 59 5.135 1.395 -2.315 1.00 0.00 H new ATOM 978 N ASP A 60 2.852 -4.410 -7.985 1.00 0.00 N ATOM 979 CA ASP A 60 2.560 -5.664 -8.659 1.00 0.00 C ATOM 980 C ASP A 60 2.094 -6.695 -7.630 1.00 0.00 C ATOM 981 O ASP A 60 1.563 -6.334 -6.581 1.00 0.00 O ATOM 982 CB ASP A 60 3.805 -6.219 -9.354 1.00 0.00 C ATOM 983 CG ASP A 60 3.534 -6.989 -10.648 1.00 0.00 C ATOM 984 OD1 ASP A 60 2.745 -6.467 -11.464 1.00 0.00 O ATOM 985 OD2 ASP A 60 4.123 -8.083 -10.791 1.00 0.00 O ATOM 0 H ASP A 60 3.235 -4.510 -7.045 1.00 0.00 H new ATOM 0 HA ASP A 60 1.786 -5.474 -9.403 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.478 -5.391 -9.576 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.327 -6.877 -8.660 1.00 0.00 H new ATOM 990 N GLU A 61 2.309 -7.958 -7.965 1.00 0.00 N ATOM 991 CA GLU A 61 1.917 -9.044 -7.083 1.00 0.00 C ATOM 992 C GLU A 61 3.039 -9.351 -6.088 1.00 0.00 C ATOM 993 O GLU A 61 2.785 -9.861 -4.998 1.00 0.00 O ATOM 994 CB GLU A 61 1.538 -10.292 -7.883 1.00 0.00 C ATOM 995 CG GLU A 61 0.907 -11.353 -6.979 1.00 0.00 C ATOM 996 CD GLU A 61 1.820 -12.574 -6.847 1.00 0.00 C ATOM 997 OE1 GLU A 61 1.790 -13.408 -7.778 1.00 0.00 O ATOM 998 OE2 GLU A 61 2.526 -12.646 -5.819 1.00 0.00 O ATOM 0 H GLU A 61 2.750 -8.254 -8.836 1.00 0.00 H new ATOM 0 HA GLU A 61 1.036 -8.730 -6.523 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.840 -10.022 -8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.425 -10.702 -8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.716 -10.929 -5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.057 -11.657 -7.387 1.00 0.00 H new ATOM 1005 N ASN A 62 4.256 -9.027 -6.499 1.00 0.00 N ATOM 1006 CA ASN A 62 5.417 -9.261 -5.658 1.00 0.00 C ATOM 1007 C ASN A 62 6.064 -7.920 -5.304 1.00 0.00 C ATOM 1008 O ASN A 62 6.454 -7.698 -4.159 1.00 0.00 O ATOM 1009 CB ASN A 62 6.461 -10.113 -6.384 1.00 0.00 C ATOM 1010 CG ASN A 62 7.832 -9.984 -5.718 1.00 0.00 C ATOM 1011 OD1 ASN A 62 8.164 -10.690 -4.779 1.00 0.00 O ATOM 1012 ND2 ASN A 62 8.609 -9.048 -6.255 1.00 0.00 N ATOM 0 H ASN A 62 4.463 -8.604 -7.404 1.00 0.00 H new ATOM 0 HA ASN A 62 5.084 -9.785 -4.762 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.149 -11.157 -6.382 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.528 -9.802 -7.427 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.544 -8.886 -5.882 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.270 -8.492 -7.040 1.00 0.00 H new ATOM 1019 N ASN A 63 6.159 -7.062 -6.309 1.00 0.00 N ATOM 1020 CA ASN A 63 6.752 -5.749 -6.119 1.00 0.00 C ATOM 1021 C ASN A 63 6.279 -5.169 -4.784 1.00 0.00 C ATOM 1022 O ASN A 63 7.093 -4.837 -3.924 1.00 0.00 O ATOM 1023 CB ASN A 63 6.328 -4.786 -7.230 1.00 0.00 C ATOM 1024 CG ASN A 63 7.287 -3.599 -7.322 1.00 0.00 C ATOM 1025 OD1 ASN A 63 8.426 -3.719 -7.743 1.00 0.00 O ATOM 1026 ND2 ASN A 63 6.765 -2.448 -6.907 1.00 0.00 N ATOM 0 H ASN A 63 5.835 -7.250 -7.258 1.00 0.00 H new ATOM 0 HA ASN A 63 7.836 -5.863 -6.136 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.304 -5.313 -8.184 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.317 -4.427 -7.039 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.326 -1.596 -6.930 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.804 -2.417 -6.566 1.00 0.00 H new ATOM 1033 N MET A 64 4.964 -5.065 -4.654 1.00 0.00 N ATOM 1034 CA MET A 64 4.373 -4.531 -3.438 1.00 0.00 C ATOM 1035 C MET A 64 4.787 -5.357 -2.219 1.00 0.00 C ATOM 1036 O MET A 64 5.104 -4.802 -1.168 1.00 0.00 O ATOM 1037 CB MET A 64 2.849 -4.538 -3.567 1.00 0.00 C ATOM 1038 CG MET A 64 2.280 -3.125 -3.424 1.00 0.00 C ATOM 1039 SD MET A 64 0.854 -3.146 -2.351 1.00 0.00 S ATOM 1040 CE MET A 64 -0.445 -2.937 -3.557 1.00 0.00 C ATOM 0 H MET A 64 4.292 -5.341 -5.370 1.00 0.00 H new ATOM 0 HA MET A 64 4.730 -3.511 -3.299 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.564 -4.952 -4.534 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.419 -5.186 -2.803 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.040 -2.457 -3.019 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.003 -2.735 -4.403 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.853 -1.929 -3.482 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.041 -3.091 -4.557 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.236 -3.663 -3.369 1.00 0.00 H new ATOM 1050 N SER A 65 4.771 -6.669 -2.399 1.00 0.00 N ATOM 1051 CA SER A 65 5.140 -7.577 -1.326 1.00 0.00 C ATOM 1052 C SER A 65 6.443 -7.112 -0.673 1.00 0.00 C ATOM 1053 O SER A 65 6.587 -7.174 0.547 1.00 0.00 O ATOM 1054 CB SER A 65 5.287 -9.009 -1.843 1.00 0.00 C ATOM 1055 OG SER A 65 5.221 -9.966 -0.789 1.00 0.00 O ATOM 0 H SER A 65 4.508 -7.126 -3.272 1.00 0.00 H new ATOM 0 HA SER A 65 4.344 -7.568 -0.581 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.501 -9.215 -2.569 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.238 -9.110 -2.366 1.00 0.00 H new ATOM 0 HG SER A 65 5.317 -10.868 -1.160 1.00 0.00 H new ATOM 1061 N GLU A 66 7.360 -6.656 -1.514 1.00 0.00 N ATOM 1062 CA GLU A 66 8.646 -6.181 -1.034 1.00 0.00 C ATOM 1063 C GLU A 66 8.470 -4.888 -0.235 1.00 0.00 C ATOM 1064 O GLU A 66 8.986 -4.766 0.875 1.00 0.00 O ATOM 1065 CB GLU A 66 9.624 -5.979 -2.194 1.00 0.00 C ATOM 1066 CG GLU A 66 11.060 -5.845 -1.683 1.00 0.00 C ATOM 1067 CD GLU A 66 11.659 -4.495 -2.082 1.00 0.00 C ATOM 1068 OE1 GLU A 66 12.223 -4.431 -3.196 1.00 0.00 O ATOM 1069 OE2 GLU A 66 11.541 -3.557 -1.264 1.00 0.00 O ATOM 0 H GLU A 66 7.237 -6.606 -2.525 1.00 0.00 H new ATOM 0 HA GLU A 66 9.067 -6.939 -0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.556 -6.821 -2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.349 -5.086 -2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.075 -5.947 -0.598 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.671 -6.652 -2.088 1.00 0.00 H new ATOM 1076 N TYR A 67 7.739 -3.957 -0.830 1.00 0.00 N ATOM 1077 CA TYR A 67 7.488 -2.678 -0.187 1.00 0.00 C ATOM 1078 C TYR A 67 6.732 -2.866 1.130 1.00 0.00 C ATOM 1079 O TYR A 67 7.203 -2.446 2.186 1.00 0.00 O ATOM 1080 CB TYR A 67 6.611 -1.884 -1.157 1.00 0.00 C ATOM 1081 CG TYR A 67 5.870 -0.713 -0.508 1.00 0.00 C ATOM 1082 CD1 TYR A 67 6.516 0.493 -0.320 1.00 0.00 C ATOM 1083 CD2 TYR A 67 4.557 -0.862 -0.112 1.00 0.00 C ATOM 1084 CE1 TYR A 67 5.818 1.595 0.290 1.00 0.00 C ATOM 1085 CE2 TYR A 67 3.859 0.241 0.498 1.00 0.00 C ATOM 1086 CZ TYR A 67 4.524 1.415 0.669 1.00 0.00 C ATOM 1087 OH TYR A 67 3.866 2.456 1.245 1.00 0.00 O ATOM 0 H TYR A 67 7.312 -4.063 -1.750 1.00 0.00 H new ATOM 0 HA TYR A 67 8.426 -2.171 0.039 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.234 -1.503 -1.966 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.882 -2.558 -1.607 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.544 0.610 -0.630 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.052 -1.805 -0.259 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.311 2.544 0.443 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.831 0.138 0.812 1.00 0.00 H new ATOM 0 HH TYR A 67 3.772 2.292 2.207 1.00 0.00 H new ATOM 1097 N LEU A 68 5.571 -3.496 1.024 1.00 0.00 N ATOM 1098 CA LEU A 68 4.745 -3.744 2.193 1.00 0.00 C ATOM 1099 C LEU A 68 5.624 -4.265 3.332 1.00 0.00 C ATOM 1100 O LEU A 68 5.462 -3.857 4.481 1.00 0.00 O ATOM 1101 CB LEU A 68 3.582 -4.674 1.840 1.00 0.00 C ATOM 1102 CG LEU A 68 2.662 -4.198 0.714 1.00 0.00 C ATOM 1103 CD1 LEU A 68 1.639 -5.277 0.349 1.00 0.00 C ATOM 1104 CD2 LEU A 68 1.991 -2.872 1.076 1.00 0.00 C ATOM 0 H LEU A 68 5.183 -3.842 0.146 1.00 0.00 H new ATOM 0 HA LEU A 68 4.288 -2.817 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.991 -5.646 1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.979 -4.826 2.735 1.00 0.00 H new ATOM 0 HG LEU A 68 3.272 -4.018 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.997 -4.913 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.160 -6.175 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.030 -5.511 1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.343 -2.557 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.397 -3.000 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.754 -2.113 1.247 1.00 0.00 H new ATOM 1116 N THR A 69 6.535 -5.158 2.974 1.00 0.00 N ATOM 1117 CA THR A 69 7.439 -5.738 3.952 1.00 0.00 C ATOM 1118 C THR A 69 8.256 -4.642 4.639 1.00 0.00 C ATOM 1119 O THR A 69 8.188 -4.483 5.857 1.00 0.00 O ATOM 1120 CB THR A 69 8.301 -6.781 3.238 1.00 0.00 C ATOM 1121 OG1 THR A 69 7.852 -8.025 3.769 1.00 0.00 O ATOM 1122 CG2 THR A 69 9.772 -6.708 3.653 1.00 0.00 C ATOM 0 H THR A 69 6.666 -5.494 2.020 1.00 0.00 H new ATOM 0 HA THR A 69 6.890 -6.239 4.750 1.00 0.00 H new ATOM 0 HB THR A 69 8.221 -6.642 2.160 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.107 -8.089 4.713 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.339 -7.469 3.117 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.170 -5.722 3.412 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.856 -6.881 4.726 1.00 0.00 H new ATOM 1130 N ASN A 70 9.010 -3.914 3.828 1.00 0.00 N ATOM 1131 CA ASN A 70 9.839 -2.837 4.342 1.00 0.00 C ATOM 1132 C ASN A 70 9.638 -1.589 3.482 1.00 0.00 C ATOM 1133 O ASN A 70 10.493 -1.249 2.665 1.00 0.00 O ATOM 1134 CB ASN A 70 11.322 -3.212 4.293 1.00 0.00 C ATOM 1135 CG ASN A 70 11.827 -3.633 5.674 1.00 0.00 C ATOM 1136 OD1 ASN A 70 12.174 -4.778 5.914 1.00 0.00 O ATOM 1137 ND2 ASN A 70 11.849 -2.647 6.566 1.00 0.00 N ATOM 0 H ASN A 70 9.064 -4.049 2.818 1.00 0.00 H new ATOM 0 HA ASN A 70 9.548 -2.652 5.376 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.472 -4.026 3.584 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.904 -2.364 3.932 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.170 -2.827 7.517 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.545 -1.711 6.299 1.00 0.00 H new ATOM 1144 N PRO A 71 8.473 -0.922 3.699 1.00 0.00 N ATOM 1145 CA PRO A 71 8.148 0.282 2.952 1.00 0.00 C ATOM 1146 C PRO A 71 8.964 1.475 3.454 1.00 0.00 C ATOM 1147 O PRO A 71 9.234 2.348 2.648 1.00 0.00 O ATOM 1148 CB PRO A 71 6.651 0.467 3.135 1.00 0.00 C ATOM 1149 CG PRO A 71 6.273 -0.367 4.349 1.00 0.00 C ATOM 1150 CD PRO A 71 7.436 -1.296 4.657 1.00 0.00 C ATOM 0 HA PRO A 71 8.399 0.202 1.894 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.403 1.517 3.290 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.106 0.138 2.250 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.062 0.276 5.203 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.368 -0.941 4.151 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.781 -1.171 5.683 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.149 -2.341 4.542 1.00 0.00 H new HETATM 1158 N M3L A 72 9.295 1.427 4.736 1.00 0.00 N HETATM 1159 CA M3L A 72 10.047 2.517 5.392 1.00 0.00 C HETATM 1160 CB M3L A 72 9.984 2.310 6.919 1.00 0.00 C HETATM 1161 CG M3L A 72 9.729 3.716 7.464 1.00 0.00 C HETATM 1162 CD M3L A 72 9.447 3.713 8.979 1.00 0.00 C HETATM 1163 CE M3L A 72 9.167 5.180 9.359 1.00 0.00 C HETATM 1164 NZ M3L A 72 7.740 5.422 9.618 1.00 0.00 N HETATM 1165 C M3L A 72 11.498 2.656 5.017 1.00 0.00 C HETATM 1166 O M3L A 72 12.080 3.736 5.106 1.00 0.00 O HETATM 1167 CM1 M3L A 72 7.140 5.150 8.289 1.00 0.00 C HETATM 1168 CM2 M3L A 72 7.268 4.462 10.637 1.00 0.00 C HETATM 1169 CM3 M3L A 72 7.498 6.805 10.062 1.00 0.00 C HETATM 0 HM33 M3L A 72 8.052 6.994 10.982 1.00 0.00 H new HETATM 0 HM32 M3L A 72 7.830 7.499 9.289 1.00 0.00 H new HETATM 0 HM31 M3L A 72 6.433 6.948 10.244 1.00 0.00 H new HETATM 0 HM23 M3L A 72 7.408 3.445 10.271 1.00 0.00 H new HETATM 0 HM22 M3L A 72 7.837 4.598 11.557 1.00 0.00 H new HETATM 0 HM21 M3L A 72 6.210 4.634 10.836 1.00 0.00 H new HETATM 0 HM13 M3L A 72 7.563 5.832 7.552 1.00 0.00 H new HETATM 0 HM12 M3L A 72 7.354 4.122 7.997 1.00 0.00 H new HETATM 0 HM11 M3L A 72 6.061 5.295 8.340 1.00 0.00 H new HETATM 0 HG3 M3L A 72 10.595 4.345 7.259 1.00 0.00 H new HETATM 0 HG2 M3L A 72 8.882 4.159 6.940 1.00 0.00 H new HETATM 0 HE3 M3L A 72 9.745 5.441 10.245 1.00 0.00 H new HETATM 0 HE2 M3L A 72 9.505 5.833 8.554 1.00 0.00 H new HETATM 0 HD3 M3L A 72 8.593 3.078 9.216 1.00 0.00 H new HETATM 0 HD2 M3L A 72 10.299 3.321 9.534 1.00 0.00 H new HETATM 0 HB3 M3L A 72 9.186 1.622 7.197 1.00 0.00 H new HETATM 0 HB2 M3L A 72 10.914 1.893 7.306 1.00 0.00 H new HETATM 0 HA M3L A 72 9.562 3.429 5.044 1.00 0.00 H new HETATM 0 H M3L A 72 8.846 0.706 5.300 1.00 0.00 H new ATOM 1189 N LYS A 73 12.030 1.557 4.502 1.00 0.00 N ATOM 1190 CA LYS A 73 13.389 1.553 3.988 1.00 0.00 C ATOM 1191 C LYS A 73 13.357 1.744 2.470 1.00 0.00 C ATOM 1192 O LYS A 73 13.857 2.742 1.955 1.00 0.00 O ATOM 1193 CB LYS A 73 14.127 0.289 4.434 1.00 0.00 C ATOM 1194 CG LYS A 73 15.579 0.303 3.952 1.00 0.00 C ATOM 1195 CD LYS A 73 16.218 -1.080 4.095 1.00 0.00 C ATOM 1196 CE LYS A 73 15.811 -1.994 2.937 1.00 0.00 C ATOM 1197 NZ LYS A 73 15.176 -3.228 3.449 1.00 0.00 N ATOM 0 H LYS A 73 11.544 0.663 4.430 1.00 0.00 H new ATOM 0 HA LYS A 73 13.955 2.387 4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.102 0.213 5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.618 -0.591 4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.617 0.619 2.909 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.150 1.032 4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.303 -0.982 4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.915 -1.529 5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.120 -1.469 2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.688 -2.249 2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.906 -3.837 2.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.847 -3.736 4.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.328 -2.980 3.997 1.00 0.00 H new ATOM 1211 N TYR A 74 12.763 0.770 1.796 1.00 0.00 N ATOM 1212 CA TYR A 74 12.658 0.817 0.348 1.00 0.00 C ATOM 1213 C TYR A 74 12.404 2.246 -0.137 1.00 0.00 C ATOM 1214 O TYR A 74 13.092 2.734 -1.031 1.00 0.00 O ATOM 1215 CB TYR A 74 11.455 -0.054 -0.017 1.00 0.00 C ATOM 1216 CG TYR A 74 11.183 -0.142 -1.520 1.00 0.00 C ATOM 1217 CD1 TYR A 74 12.060 -0.821 -2.342 1.00 0.00 C ATOM 1218 CD2 TYR A 74 10.061 0.459 -2.055 1.00 0.00 C ATOM 1219 CE1 TYR A 74 11.804 -0.903 -3.757 1.00 0.00 C ATOM 1220 CE2 TYR A 74 9.805 0.377 -3.469 1.00 0.00 C ATOM 1221 CZ TYR A 74 10.689 -0.300 -4.250 1.00 0.00 C ATOM 1222 OH TYR A 74 10.447 -0.378 -5.587 1.00 0.00 O ATOM 0 H TYR A 74 12.349 -0.057 2.227 1.00 0.00 H new ATOM 0 HA TYR A 74 13.581 0.469 -0.115 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.616 -1.059 0.372 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.569 0.342 0.480 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.938 -1.291 -1.924 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.375 0.991 -1.412 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.482 -1.431 -4.411 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.931 0.842 -3.900 1.00 0.00 H new ATOM 0 HH TYR A 74 10.819 -1.214 -5.939 1.00 0.00 H new ATOM 1232 N ILE A 75 11.412 2.877 0.475 1.00 0.00 N ATOM 1233 CA ILE A 75 11.058 4.239 0.118 1.00 0.00 C ATOM 1234 C ILE A 75 11.474 5.183 1.248 1.00 0.00 C ATOM 1235 O ILE A 75 10.789 5.279 2.265 1.00 0.00 O ATOM 1236 CB ILE A 75 9.574 4.330 -0.244 1.00 0.00 C ATOM 1237 CG1 ILE A 75 9.312 3.746 -1.634 1.00 0.00 C ATOM 1238 CG2 ILE A 75 9.066 5.768 -0.122 1.00 0.00 C ATOM 1239 CD1 ILE A 75 7.843 3.349 -1.794 1.00 0.00 C ATOM 0 H ILE A 75 10.842 2.469 1.216 1.00 0.00 H new ATOM 0 HA ILE A 75 11.600 4.551 -0.775 1.00 0.00 H new ATOM 0 HB ILE A 75 9.011 3.728 0.470 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.580 4.478 -2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.947 2.874 -1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.009 5.804 -0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.197 6.114 0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.630 6.412 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.684 2.937 -2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.585 2.599 -1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.212 4.228 -1.660 1.00 0.00 H new ATOM 1251 N PRO A 76 12.624 5.875 1.025 1.00 0.00 N ATOM 1252 CA PRO A 76 13.139 6.808 2.012 1.00 0.00 C ATOM 1253 C PRO A 76 12.322 8.102 2.023 1.00 0.00 C ATOM 1254 O PRO A 76 12.717 9.094 1.412 1.00 0.00 O ATOM 1255 CB PRO A 76 14.593 7.026 1.626 1.00 0.00 C ATOM 1256 CG PRO A 76 14.711 6.577 0.179 1.00 0.00 C ATOM 1257 CD PRO A 76 13.460 5.787 -0.168 1.00 0.00 C ATOM 0 HA PRO A 76 13.064 6.427 3.030 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.873 8.074 1.734 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.259 6.450 2.269 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.813 7.439 -0.481 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.601 5.963 0.041 1.00 0.00 H new ATOM 0 HD2 PRO A 76 12.955 6.207 -1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.700 4.751 -0.408 1.00 0.00 H new ATOM 1265 N GLY A 77 11.199 8.049 2.724 1.00 0.00 N ATOM 1266 CA GLY A 77 10.324 9.204 2.822 1.00 0.00 C ATOM 1267 C GLY A 77 8.856 8.793 2.686 1.00 0.00 C ATOM 1268 O GLY A 77 8.088 9.446 1.981 1.00 0.00 O ATOM 0 H GLY A 77 10.875 7.224 3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.479 9.702 3.779 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.577 9.924 2.044 1.00 0.00 H new ATOM 1272 N THR A 78 8.511 7.714 3.372 1.00 0.00 N ATOM 1273 CA THR A 78 7.149 7.208 3.337 1.00 0.00 C ATOM 1274 C THR A 78 6.458 7.443 4.681 1.00 0.00 C ATOM 1275 O THR A 78 6.846 6.861 5.693 1.00 0.00 O ATOM 1276 CB THR A 78 7.203 5.734 2.930 1.00 0.00 C ATOM 1277 OG1 THR A 78 5.969 5.516 2.251 1.00 0.00 O ATOM 1278 CG2 THR A 78 7.137 4.792 4.134 1.00 0.00 C ATOM 0 H THR A 78 9.151 7.175 3.956 1.00 0.00 H new ATOM 0 HA THR A 78 6.547 7.741 2.601 1.00 0.00 H new ATOM 0 HB THR A 78 8.119 5.545 2.371 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.921 4.584 1.951 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.179 3.759 3.790 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.980 4.988 4.796 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.205 4.957 4.674 1.00 0.00 H new ATOM 1286 N LYS A 79 5.446 8.297 4.648 1.00 0.00 N ATOM 1287 CA LYS A 79 4.697 8.616 5.852 1.00 0.00 C ATOM 1288 C LYS A 79 4.026 7.347 6.382 1.00 0.00 C ATOM 1289 O LYS A 79 3.560 7.316 7.519 1.00 0.00 O ATOM 1290 CB LYS A 79 3.719 9.763 5.587 1.00 0.00 C ATOM 1291 CG LYS A 79 3.555 10.642 6.828 1.00 0.00 C ATOM 1292 CD LYS A 79 4.552 11.803 6.813 1.00 0.00 C ATOM 1293 CE LYS A 79 3.854 13.120 6.467 1.00 0.00 C ATOM 1294 NZ LYS A 79 4.676 13.908 5.522 1.00 0.00 N ATOM 0 H LYS A 79 5.127 8.778 3.807 1.00 0.00 H new ATOM 0 HA LYS A 79 5.368 8.973 6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.079 10.367 4.754 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.750 9.359 5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.538 11.032 6.870 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.704 10.042 7.726 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.033 11.887 7.788 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.339 11.602 6.086 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.878 12.917 6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.680 13.696 7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.189 14.799 5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.598 14.118 5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.820 13.362 4.649 1.00 0.00 H new ATOM 1308 N MET A 80 4.000 6.331 5.532 1.00 0.00 N ATOM 1309 CA MET A 80 3.394 5.063 5.900 1.00 0.00 C ATOM 1310 C MET A 80 4.096 4.452 7.115 1.00 0.00 C ATOM 1311 O MET A 80 5.138 3.813 6.978 1.00 0.00 O ATOM 1312 CB MET A 80 3.482 4.093 4.719 1.00 0.00 C ATOM 1313 CG MET A 80 2.847 2.745 5.068 1.00 0.00 C ATOM 1314 SD MET A 80 2.371 1.890 3.576 1.00 0.00 S ATOM 1315 CE MET A 80 2.088 0.254 4.233 1.00 0.00 C ATOM 0 H MET A 80 4.389 6.360 4.590 1.00 0.00 H new ATOM 0 HA MET A 80 2.350 5.242 6.158 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.979 4.523 3.853 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.526 3.946 4.441 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.552 2.138 5.636 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.975 2.898 5.703 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.630 -0.372 3.467 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.038 -0.184 4.539 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.423 0.318 5.094 1.00 0.00 H new ATOM 1325 N ALA A 81 3.496 4.671 8.276 1.00 0.00 N ATOM 1326 CA ALA A 81 4.051 4.150 9.514 1.00 0.00 C ATOM 1327 C ALA A 81 3.598 2.701 9.701 1.00 0.00 C ATOM 1328 O ALA A 81 2.907 2.382 10.668 1.00 0.00 O ATOM 1329 CB ALA A 81 3.629 5.047 10.679 1.00 0.00 C ATOM 0 H ALA A 81 2.632 5.202 8.386 1.00 0.00 H new ATOM 0 HA ALA A 81 5.140 4.153 9.477 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.045 4.657 11.608 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.000 6.058 10.512 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.541 5.066 10.748 1.00 0.00 H new ATOM 1335 N PHE A 82 4.005 1.861 8.760 1.00 0.00 N ATOM 1336 CA PHE A 82 3.650 0.453 8.809 1.00 0.00 C ATOM 1337 C PHE A 82 4.801 -0.384 9.371 1.00 0.00 C ATOM 1338 O PHE A 82 5.940 -0.260 8.922 1.00 0.00 O ATOM 1339 CB PHE A 82 3.368 0.012 7.372 1.00 0.00 C ATOM 1340 CG PHE A 82 2.800 -1.404 7.254 1.00 0.00 C ATOM 1341 CD1 PHE A 82 1.661 -1.736 7.918 1.00 0.00 C ATOM 1342 CD2 PHE A 82 3.435 -2.330 6.487 1.00 0.00 C ATOM 1343 CE1 PHE A 82 1.133 -3.050 7.809 1.00 0.00 C ATOM 1344 CE2 PHE A 82 2.907 -3.644 6.378 1.00 0.00 C ATOM 1345 CZ PHE A 82 1.768 -3.976 7.041 1.00 0.00 C ATOM 0 H PHE A 82 4.577 2.129 7.959 1.00 0.00 H new ATOM 0 HA PHE A 82 2.784 0.310 9.455 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.666 0.712 6.919 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.292 0.070 6.797 1.00 0.00 H new ATOM 0 HD1 PHE A 82 1.158 -1.001 8.528 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.341 -2.066 5.961 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.228 -3.314 8.336 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.411 -4.379 5.768 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.367 -4.975 6.958 1.00 0.00 H new ATOM 1355 N GLY A 83 4.465 -1.218 10.344 1.00 0.00 N ATOM 1356 CA GLY A 83 5.456 -2.075 10.971 1.00 0.00 C ATOM 1357 C GLY A 83 6.371 -2.713 9.924 1.00 0.00 C ATOM 1358 O GLY A 83 7.585 -2.514 9.950 1.00 0.00 O ATOM 0 H GLY A 83 3.520 -1.318 10.714 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.052 -1.493 11.674 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.956 -2.855 11.546 1.00 0.00 H new ATOM 1362 N GLY A 84 5.754 -3.467 9.026 1.00 0.00 N ATOM 1363 CA GLY A 84 6.497 -4.135 7.971 1.00 0.00 C ATOM 1364 C GLY A 84 6.398 -5.655 8.109 1.00 0.00 C ATOM 1365 O GLY A 84 6.945 -6.234 9.047 1.00 0.00 O ATOM 0 H GLY A 84 4.747 -3.630 9.007 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.110 -3.829 6.999 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.543 -3.830 8.009 1.00 0.00 H new ATOM 1369 N LEU A 85 5.696 -6.259 7.162 1.00 0.00 N ATOM 1370 CA LEU A 85 5.518 -7.701 7.166 1.00 0.00 C ATOM 1371 C LEU A 85 6.846 -8.376 6.820 1.00 0.00 C ATOM 1372 O LEU A 85 7.792 -7.712 6.398 1.00 0.00 O ATOM 1373 CB LEU A 85 4.366 -8.101 6.241 1.00 0.00 C ATOM 1374 CG LEU A 85 3.012 -7.453 6.537 1.00 0.00 C ATOM 1375 CD1 LEU A 85 1.974 -7.846 5.484 1.00 0.00 C ATOM 1376 CD2 LEU A 85 2.543 -7.784 7.955 1.00 0.00 C ATOM 0 H LEU A 85 5.243 -5.776 6.386 1.00 0.00 H new ATOM 0 HA LEU A 85 5.234 -8.047 8.160 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.647 -7.857 5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.247 -9.183 6.289 1.00 0.00 H new ATOM 0 HG LEU A 85 3.133 -6.371 6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.021 -7.372 5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.311 -7.518 4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.850 -8.929 5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.578 -7.311 8.139 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.444 -8.864 8.063 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.272 -7.413 8.675 1.00 0.00 H new ATOM 1388 N LYS A 86 6.876 -9.686 7.012 1.00 0.00 N ATOM 1389 CA LYS A 86 8.073 -10.458 6.726 1.00 0.00 C ATOM 1390 C LYS A 86 7.677 -11.894 6.377 1.00 0.00 C ATOM 1391 O LYS A 86 8.141 -12.445 5.380 1.00 0.00 O ATOM 1392 CB LYS A 86 9.065 -10.358 7.886 1.00 0.00 C ATOM 1393 CG LYS A 86 10.058 -9.216 7.661 1.00 0.00 C ATOM 1394 CD LYS A 86 11.117 -9.184 8.765 1.00 0.00 C ATOM 1395 CE LYS A 86 10.517 -8.695 10.085 1.00 0.00 C ATOM 1396 NZ LYS A 86 10.577 -7.218 10.166 1.00 0.00 N ATOM 0 H LYS A 86 6.090 -10.233 7.363 1.00 0.00 H new ATOM 0 HA LYS A 86 8.591 -10.050 5.858 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.524 -10.196 8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.605 -11.299 7.990 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.542 -9.336 6.692 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.525 -8.266 7.636 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.538 -10.180 8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.937 -8.529 8.469 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.482 -9.028 10.166 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.060 -9.133 10.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.166 -6.903 11.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.568 -6.907 10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.039 -6.805 9.377 1.00 0.00 H new ATOM 1410 N LYS A 87 6.824 -12.460 7.218 1.00 0.00 N ATOM 1411 CA LYS A 87 6.361 -13.822 7.012 1.00 0.00 C ATOM 1412 C LYS A 87 5.559 -13.891 5.711 1.00 0.00 C ATOM 1413 O LYS A 87 4.410 -13.454 5.662 1.00 0.00 O ATOM 1414 CB LYS A 87 5.590 -14.317 8.237 1.00 0.00 C ATOM 1415 CG LYS A 87 6.545 -14.857 9.304 1.00 0.00 C ATOM 1416 CD LYS A 87 7.098 -16.226 8.903 1.00 0.00 C ATOM 1417 CE LYS A 87 6.120 -17.343 9.274 1.00 0.00 C ATOM 1418 NZ LYS A 87 6.224 -17.666 10.715 1.00 0.00 N ATOM 0 H LYS A 87 6.441 -12.000 8.044 1.00 0.00 H new ATOM 0 HA LYS A 87 7.207 -14.500 6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.998 -13.502 8.653 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.891 -15.099 7.940 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.368 -14.157 9.449 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.023 -14.937 10.258 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.287 -16.245 7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.054 -16.395 9.399 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.101 -17.036 9.037 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.332 -18.232 8.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.630 -18.492 10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.214 -17.881 10.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.902 -16.852 11.277 1.00 0.00 H new ATOM 1432 N GLU A 88 6.196 -14.444 4.689 1.00 0.00 N ATOM 1433 CA GLU A 88 5.556 -14.576 3.391 1.00 0.00 C ATOM 1434 C GLU A 88 4.100 -15.016 3.560 1.00 0.00 C ATOM 1435 O GLU A 88 3.244 -14.665 2.750 1.00 0.00 O ATOM 1436 CB GLU A 88 6.324 -15.551 2.497 1.00 0.00 C ATOM 1437 CG GLU A 88 7.225 -14.801 1.515 1.00 0.00 C ATOM 1438 CD GLU A 88 7.390 -15.587 0.212 1.00 0.00 C ATOM 1439 OE1 GLU A 88 8.040 -16.653 0.271 1.00 0.00 O ATOM 1440 OE2 GLU A 88 6.862 -15.104 -0.813 1.00 0.00 O ATOM 0 H GLU A 88 7.149 -14.806 4.734 1.00 0.00 H new ATOM 0 HA GLU A 88 5.566 -13.602 2.902 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.927 -16.217 3.114 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.621 -16.176 1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.799 -13.821 1.301 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.202 -14.632 1.968 1.00 0.00 H new ATOM 1447 N LYS A 89 3.865 -15.780 4.616 1.00 0.00 N ATOM 1448 CA LYS A 89 2.528 -16.273 4.901 1.00 0.00 C ATOM 1449 C LYS A 89 1.522 -15.133 4.727 1.00 0.00 C ATOM 1450 O LYS A 89 0.700 -15.161 3.813 1.00 0.00 O ATOM 1451 CB LYS A 89 2.482 -16.928 6.283 1.00 0.00 C ATOM 1452 CG LYS A 89 3.678 -17.860 6.488 1.00 0.00 C ATOM 1453 CD LYS A 89 3.223 -19.239 6.970 1.00 0.00 C ATOM 1454 CE LYS A 89 4.238 -20.317 6.587 1.00 0.00 C ATOM 1455 NZ LYS A 89 4.765 -20.987 7.797 1.00 0.00 N ATOM 0 H LYS A 89 4.578 -16.070 5.285 1.00 0.00 H new ATOM 0 HA LYS A 89 2.251 -17.055 4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.480 -16.158 7.054 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.555 -17.491 6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.229 -17.961 5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.363 -17.424 7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.093 -19.225 8.052 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.252 -19.478 6.535 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.768 -21.052 5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.058 -19.869 6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.453 -21.716 7.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.232 -20.286 8.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.981 -21.431 8.317 1.00 0.00 H new ATOM 1469 N ASP A 90 1.620 -14.159 5.620 1.00 0.00 N ATOM 1470 CA ASP A 90 0.728 -13.012 5.577 1.00 0.00 C ATOM 1471 C ASP A 90 0.847 -12.331 4.212 1.00 0.00 C ATOM 1472 O ASP A 90 -0.160 -12.031 3.574 1.00 0.00 O ATOM 1473 CB ASP A 90 1.096 -11.987 6.651 1.00 0.00 C ATOM 1474 CG ASP A 90 0.168 -11.963 7.867 1.00 0.00 C ATOM 1475 OD1 ASP A 90 -0.726 -12.835 7.915 1.00 0.00 O ATOM 1476 OD2 ASP A 90 0.374 -11.074 8.720 1.00 0.00 O ATOM 0 H ASP A 90 2.303 -14.140 6.377 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.288 -13.367 5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.111 -12.189 6.992 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.103 -10.995 6.198 1.00 0.00 H new ATOM 1481 N ARG A 91 2.088 -12.105 3.805 1.00 0.00 N ATOM 1482 CA ARG A 91 2.352 -11.464 2.528 1.00 0.00 C ATOM 1483 C ARG A 91 1.524 -12.122 1.423 1.00 0.00 C ATOM 1484 O ARG A 91 0.969 -11.435 0.566 1.00 0.00 O ATOM 1485 CB ARG A 91 3.836 -11.550 2.165 1.00 0.00 C ATOM 1486 CG ARG A 91 4.712 -11.059 3.319 1.00 0.00 C ATOM 1487 CD ARG A 91 6.107 -10.672 2.821 1.00 0.00 C ATOM 1488 NE ARG A 91 7.086 -11.717 3.197 1.00 0.00 N ATOM 1489 CZ ARG A 91 8.312 -11.823 2.667 1.00 0.00 C ATOM 1490 NH1 ARG A 91 8.717 -10.948 1.736 1.00 0.00 N ATOM 1491 NH2 ARG A 91 9.133 -12.803 3.068 1.00 0.00 N ATOM 0 H ARG A 91 2.922 -12.354 4.337 1.00 0.00 H new ATOM 0 HA ARG A 91 2.073 -10.414 2.619 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.095 -12.580 1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.032 -10.952 1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.241 -10.200 3.798 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.795 -11.840 4.075 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.094 -10.547 1.738 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.402 -9.714 3.249 1.00 0.00 H new ATOM 0 HE ARG A 91 6.810 -12.399 3.904 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.092 -10.202 1.431 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.650 -11.028 1.332 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.825 -13.469 3.777 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.066 -12.884 2.664 1.00 0.00 H new ATOM 1505 N ASN A 92 1.467 -13.444 1.478 1.00 0.00 N ATOM 1506 CA ASN A 92 0.716 -14.202 0.492 1.00 0.00 C ATOM 1507 C ASN A 92 -0.779 -13.935 0.679 1.00 0.00 C ATOM 1508 O ASN A 92 -1.448 -13.463 -0.238 1.00 0.00 O ATOM 1509 CB ASN A 92 0.952 -15.705 0.656 1.00 0.00 C ATOM 1510 CG ASN A 92 2.445 -16.035 0.601 1.00 0.00 C ATOM 1511 OD1 ASN A 92 3.284 -15.193 0.328 1.00 0.00 O ATOM 1512 ND2 ASN A 92 2.728 -17.306 0.873 1.00 0.00 N ATOM 0 H ASN A 92 1.929 -14.010 2.190 1.00 0.00 H new ATOM 0 HA ASN A 92 1.049 -13.890 -0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.537 -16.040 1.606 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.427 -16.247 -0.130 1.00 0.00 H new ATOM 0 HD21 ASN A 92 3.696 -17.627 0.861 1.00 0.00 H new ATOM 0 HD22 ASN A 92 1.977 -17.960 1.094 1.00 0.00 H new ATOM 1519 N ASP A 93 -1.258 -14.248 1.874 1.00 0.00 N ATOM 1520 CA ASP A 93 -2.661 -14.048 2.193 1.00 0.00 C ATOM 1521 C ASP A 93 -3.107 -12.679 1.675 1.00 0.00 C ATOM 1522 O ASP A 93 -4.084 -12.580 0.934 1.00 0.00 O ATOM 1523 CB ASP A 93 -2.892 -14.079 3.706 1.00 0.00 C ATOM 1524 CG ASP A 93 -2.989 -15.478 4.316 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -3.420 -16.391 3.579 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -2.630 -15.604 5.507 1.00 0.00 O ATOM 0 H ASP A 93 -0.699 -14.639 2.633 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.231 -14.850 1.725 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.079 -13.542 4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.811 -13.537 3.929 1.00 0.00 H new ATOM 1531 N LEU A 94 -2.370 -11.657 2.086 1.00 0.00 N ATOM 1532 CA LEU A 94 -2.677 -10.299 1.672 1.00 0.00 C ATOM 1533 C LEU A 94 -2.685 -10.225 0.144 1.00 0.00 C ATOM 1534 O LEU A 94 -3.736 -10.035 -0.467 1.00 0.00 O ATOM 1535 CB LEU A 94 -1.716 -9.308 2.331 1.00 0.00 C ATOM 1536 CG LEU A 94 -2.353 -8.274 3.263 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -1.282 -7.488 4.022 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -3.302 -7.354 2.493 1.00 0.00 C ATOM 0 H LEU A 94 -1.561 -11.743 2.701 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.673 -10.014 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.976 -9.873 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.178 -8.777 1.546 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.950 -8.804 4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.761 -6.760 4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.682 -8.174 4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.639 -6.969 3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.741 -6.629 3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.748 -6.829 1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.094 -7.948 2.037 1.00 0.00 H new ATOM 1550 N ILE A 95 -1.501 -10.379 -0.430 1.00 0.00 N ATOM 1551 CA ILE A 95 -1.358 -10.332 -1.875 1.00 0.00 C ATOM 1552 C ILE A 95 -2.531 -11.069 -2.524 1.00 0.00 C ATOM 1553 O ILE A 95 -3.017 -10.663 -3.578 1.00 0.00 O ATOM 1554 CB ILE A 95 0.013 -10.868 -2.296 1.00 0.00 C ATOM 1555 CG1 ILE A 95 1.107 -9.826 -2.052 1.00 0.00 C ATOM 1556 CG2 ILE A 95 -0.009 -11.348 -3.748 1.00 0.00 C ATOM 1557 CD1 ILE A 95 2.450 -10.499 -1.762 1.00 0.00 C ATOM 0 H ILE A 95 -0.632 -10.536 0.080 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.394 -9.301 -2.227 1.00 0.00 H new ATOM 0 HB ILE A 95 0.248 -11.733 -1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.201 -9.180 -2.925 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.827 -9.189 -1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.977 -11.724 -4.022 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.744 -12.145 -3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.275 -10.517 -4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.210 -9.736 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.359 -11.125 -0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.739 -11.116 -2.613 1.00 0.00 H new ATOM 1569 N THR A 96 -2.952 -12.140 -1.866 1.00 0.00 N ATOM 1570 CA THR A 96 -4.060 -12.937 -2.365 1.00 0.00 C ATOM 1571 C THR A 96 -5.359 -12.130 -2.325 1.00 0.00 C ATOM 1572 O THR A 96 -6.088 -12.071 -3.313 1.00 0.00 O ATOM 1573 CB THR A 96 -4.120 -14.228 -1.546 1.00 0.00 C ATOM 1574 OG1 THR A 96 -3.712 -15.240 -2.462 1.00 0.00 O ATOM 1575 CG2 THR A 96 -5.552 -14.618 -1.173 1.00 0.00 C ATOM 0 H THR A 96 -2.546 -12.474 -0.992 1.00 0.00 H new ATOM 0 HA THR A 96 -3.914 -13.206 -3.411 1.00 0.00 H new ATOM 0 HB THR A 96 -3.528 -14.110 -0.639 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.410 -15.370 -3.138 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.538 -15.541 -0.593 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.003 -13.823 -0.579 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.136 -14.769 -2.081 1.00 0.00 H new ATOM 1583 N TYR A 97 -5.608 -11.529 -1.171 1.00 0.00 N ATOM 1584 CA TYR A 97 -6.807 -10.728 -0.988 1.00 0.00 C ATOM 1585 C TYR A 97 -6.695 -9.395 -1.732 1.00 0.00 C ATOM 1586 O TYR A 97 -7.592 -9.025 -2.487 1.00 0.00 O ATOM 1587 CB TYR A 97 -6.906 -10.453 0.514 1.00 0.00 C ATOM 1588 CG TYR A 97 -7.861 -9.314 0.877 1.00 0.00 C ATOM 1589 CD1 TYR A 97 -9.219 -9.549 0.949 1.00 0.00 C ATOM 1590 CD2 TYR A 97 -7.364 -8.052 1.131 1.00 0.00 C ATOM 1591 CE1 TYR A 97 -10.118 -8.477 1.291 1.00 0.00 C ATOM 1592 CE2 TYR A 97 -8.263 -6.980 1.473 1.00 0.00 C ATOM 1593 CZ TYR A 97 -9.595 -7.246 1.536 1.00 0.00 C ATOM 1594 OH TYR A 97 -10.444 -6.233 1.858 1.00 0.00 O ATOM 0 H TYR A 97 -5.000 -11.580 -0.353 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.681 -11.252 -1.376 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.233 -11.362 1.019 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.913 -10.216 0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -9.608 -10.537 0.749 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.301 -7.868 1.073 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -11.183 -8.647 1.351 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -7.888 -5.988 1.675 1.00 0.00 H new ATOM 0 HH TYR A 97 -9.927 -5.454 2.153 1.00 0.00 H new ATOM 1604 N LEU A 98 -5.585 -8.712 -1.491 1.00 0.00 N ATOM 1605 CA LEU A 98 -5.344 -7.429 -2.129 1.00 0.00 C ATOM 1606 C LEU A 98 -5.690 -7.530 -3.616 1.00 0.00 C ATOM 1607 O LEU A 98 -6.425 -6.696 -4.143 1.00 0.00 O ATOM 1608 CB LEU A 98 -3.913 -6.958 -1.862 1.00 0.00 C ATOM 1609 CG LEU A 98 -3.763 -5.526 -1.346 1.00 0.00 C ATOM 1610 CD1 LEU A 98 -4.334 -4.520 -2.347 1.00 0.00 C ATOM 1611 CD2 LEU A 98 -4.392 -5.374 0.041 1.00 0.00 C ATOM 0 H LEU A 98 -4.843 -9.023 -0.863 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.992 -6.664 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.459 -7.634 -1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.343 -7.052 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.700 -5.310 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.215 -3.510 -1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.802 -4.607 -3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.393 -4.725 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.271 -4.347 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.453 -5.617 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.900 -6.050 0.740 1.00 0.00 H new ATOM 1623 N LYS A 99 -5.145 -8.557 -4.249 1.00 0.00 N ATOM 1624 CA LYS A 99 -5.387 -8.778 -5.665 1.00 0.00 C ATOM 1625 C LYS A 99 -6.894 -8.858 -5.914 1.00 0.00 C ATOM 1626 O LYS A 99 -7.381 -8.408 -6.950 1.00 0.00 O ATOM 1627 CB LYS A 99 -4.617 -10.006 -6.155 1.00 0.00 C ATOM 1628 CG LYS A 99 -4.873 -10.256 -7.643 1.00 0.00 C ATOM 1629 CD LYS A 99 -3.563 -10.255 -8.433 1.00 0.00 C ATOM 1630 CE LYS A 99 -3.769 -10.826 -9.837 1.00 0.00 C ATOM 1631 NZ LYS A 99 -4.675 -9.957 -10.621 1.00 0.00 N ATOM 0 H LYS A 99 -4.536 -9.246 -3.808 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.011 -7.940 -6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.550 -9.862 -5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.917 -10.881 -5.579 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.379 -11.213 -7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.539 -9.487 -8.035 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.177 -9.238 -8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -2.814 -10.844 -7.903 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.809 -10.913 -10.345 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.187 -11.831 -9.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.711 -10.291 -11.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.629 -9.989 -10.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.322 -8.979 -10.601 1.00 0.00 H new ATOM 1645 N LYS A 100 -7.592 -9.433 -4.945 1.00 0.00 N ATOM 1646 CA LYS A 100 -9.034 -9.577 -5.046 1.00 0.00 C ATOM 1647 C LYS A 100 -9.701 -8.241 -4.714 1.00 0.00 C ATOM 1648 O LYS A 100 -10.317 -7.619 -5.578 1.00 0.00 O ATOM 1649 CB LYS A 100 -9.519 -10.739 -4.177 1.00 0.00 C ATOM 1650 CG LYS A 100 -10.990 -11.054 -4.452 1.00 0.00 C ATOM 1651 CD LYS A 100 -11.888 -10.487 -3.351 1.00 0.00 C ATOM 1652 CE LYS A 100 -13.055 -9.698 -3.948 1.00 0.00 C ATOM 1653 NZ LYS A 100 -13.869 -9.085 -2.874 1.00 0.00 N ATOM 0 H LYS A 100 -7.185 -9.804 -4.086 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.320 -9.831 -6.067 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.912 -11.623 -4.373 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.388 -10.490 -3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.281 -10.635 -5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.128 -12.133 -4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -12.272 -11.300 -2.735 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.303 -9.840 -2.697 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -12.675 -8.922 -4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -13.677 -10.358 -4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.657 -8.553 -3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.247 -9.831 -2.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -13.276 -8.439 -2.314 1.00 0.00 H new ATOM 1667 N ALA A 101 -9.555 -7.839 -3.460 1.00 0.00 N ATOM 1668 CA ALA A 101 -10.135 -6.587 -3.003 1.00 0.00 C ATOM 1669 C ALA A 101 -9.838 -5.489 -4.026 1.00 0.00 C ATOM 1670 O ALA A 101 -10.734 -4.743 -4.419 1.00 0.00 O ATOM 1671 CB ALA A 101 -9.593 -6.251 -1.613 1.00 0.00 C ATOM 0 H ALA A 101 -9.044 -8.358 -2.746 1.00 0.00 H new ATOM 0 HA ALA A 101 -11.218 -6.674 -2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -10.028 -5.312 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.856 -7.048 -0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.508 -6.153 -1.659 1.00 0.00 H new ATOM 1677 N SER A 102 -8.577 -5.424 -4.428 1.00 0.00 N ATOM 1678 CA SER A 102 -8.151 -4.429 -5.397 1.00 0.00 C ATOM 1679 C SER A 102 -8.767 -4.733 -6.764 1.00 0.00 C ATOM 1680 O SER A 102 -8.991 -3.825 -7.564 1.00 0.00 O ATOM 1681 CB SER A 102 -6.625 -4.381 -5.502 1.00 0.00 C ATOM 1682 OG SER A 102 -6.107 -5.473 -6.255 1.00 0.00 O ATOM 0 H SER A 102 -7.837 -6.044 -4.100 1.00 0.00 H new ATOM 0 HA SER A 102 -8.496 -3.452 -5.059 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.323 -3.443 -5.969 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.192 -4.393 -4.502 1.00 0.00 H new ATOM 0 HG SER A 102 -6.286 -6.312 -5.781 1.00 0.00 H new ATOM 1688 N GLU A 103 -9.024 -6.013 -6.991 1.00 0.00 N ATOM 1689 CA GLU A 103 -9.610 -6.448 -8.247 1.00 0.00 C ATOM 1690 C GLU A 103 -8.984 -5.685 -9.417 1.00 0.00 C ATOM 1691 O GLU A 103 -9.608 -5.528 -10.465 1.00 0.00 O ATOM 1692 CB GLU A 103 -11.130 -6.276 -8.232 1.00 0.00 C ATOM 1693 CG GLU A 103 -11.514 -4.797 -8.170 1.00 0.00 C ATOM 1694 CD GLU A 103 -13.034 -4.623 -8.199 1.00 0.00 C ATOM 1695 OE1 GLU A 103 -13.657 -5.226 -9.100 1.00 0.00 O ATOM 1696 OE2 GLU A 103 -13.539 -3.892 -7.320 1.00 0.00 O ATOM 0 H GLU A 103 -8.837 -6.763 -6.326 1.00 0.00 H new ATOM 0 HA GLU A 103 -9.399 -7.510 -8.375 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.560 -6.730 -9.125 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -11.550 -6.801 -7.374 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.111 -4.351 -7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.068 -4.266 -9.011 1.00 0.00 H new TER 1703 GLU A 103 HETATM 1704 FE HEC A 104 -0.186 2.016 3.554 1.00 0.00 FE HETATM 1705 CHA HEC A 104 1.104 4.469 1.455 1.00 0.00 C HETATM 1706 CHB HEC A 104 -0.644 0.064 0.886 1.00 0.00 C HETATM 1707 CHC HEC A 104 -0.948 -0.343 5.682 1.00 0.00 C HETATM 1708 CHD HEC A 104 -0.296 4.347 6.007 1.00 0.00 C HETATM 1709 NA HEC A 104 0.162 2.279 1.615 1.00 0.00 N HETATM 1710 C1A HEC A 104 0.679 3.279 0.883 1.00 0.00 C HETATM 1711 C2A HEC A 104 1.034 2.849 -0.491 1.00 0.00 C HETATM 1712 C3A HEC A 104 0.510 1.630 -0.619 1.00 0.00 C HETATM 1713 C4A HEC A 104 -0.002 1.204 0.608 1.00 0.00 C HETATM 1714 CMA HEC A 104 0.584 0.732 -1.912 1.00 0.00 C HETATM 1715 CAA HEC A 104 1.633 3.799 -1.489 1.00 0.00 C HETATM 1716 CBA HEC A 104 0.681 5.027 -1.660 1.00 0.00 C HETATM 1717 CGA HEC A 104 1.293 6.418 -1.603 1.00 0.00 C HETATM 1718 O1A HEC A 104 0.520 7.285 -1.179 1.00 0.00 O HETATM 1719 O2A HEC A 104 2.479 6.606 -1.950 1.00 0.00 O HETATM 1720 NB HEC A 104 -0.712 0.202 3.336 1.00 0.00 N HETATM 1721 C1B HEC A 104 -1.055 -0.398 2.130 1.00 0.00 C HETATM 1722 C2B HEC A 104 -1.481 -1.751 2.474 1.00 0.00 C HETATM 1723 C3B HEC A 104 -1.514 -1.922 3.819 1.00 0.00 C HETATM 1724 C4B HEC A 104 -1.075 -0.645 4.314 1.00 0.00 C HETATM 1725 CMB HEC A 104 -1.978 -2.755 1.371 1.00 0.00 C HETATM 1726 CAB HEC A 104 -1.958 -3.079 4.675 1.00 0.00 C HETATM 1727 CBB HEC A 104 -1.125 -4.357 4.488 1.00 0.00 C HETATM 1728 NC HEC A 104 -0.549 2.063 5.502 1.00 0.00 N HETATM 1729 C1C HEC A 104 -0.846 0.986 6.280 1.00 0.00 C HETATM 1730 C2C HEC A 104 -1.153 1.225 7.635 1.00 0.00 C HETATM 1731 C3C HEC A 104 -0.923 2.550 7.741 1.00 0.00 C HETATM 1732 C4C HEC A 104 -0.635 3.089 6.413 1.00 0.00 C HETATM 1733 CMC HEC A 104 -1.527 0.254 8.713 1.00 0.00 C HETATM 1734 CAC HEC A 104 -1.237 3.554 8.893 1.00 0.00 C HETATM 1735 CBC HEC A 104 -0.542 3.150 10.213 1.00 0.00 C HETATM 1736 ND HEC A 104 0.302 4.059 3.716 1.00 0.00 N HETATM 1737 C1D HEC A 104 0.183 4.848 4.854 1.00 0.00 C HETATM 1738 C2D HEC A 104 0.633 6.134 4.584 1.00 0.00 C HETATM 1739 C3D HEC A 104 1.061 6.167 3.311 1.00 0.00 C HETATM 1740 C4D HEC A 104 0.922 4.816 2.774 1.00 0.00 C HETATM 1741 CMD HEC A 104 0.722 7.337 5.630 1.00 0.00 C HETATM 1742 CAD HEC A 104 1.771 7.367 2.635 1.00 0.00 C HETATM 1743 CBD HEC A 104 1.170 7.724 1.296 1.00 0.00 C HETATM 1744 CGD HEC A 104 0.699 9.150 1.078 1.00 0.00 C HETATM 1745 O1D HEC A 104 0.151 9.727 2.056 1.00 0.00 O HETATM 1746 O2D HEC A 104 0.756 9.541 -0.109 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -0.271 7.550 6.025 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 1.386 7.059 6.449 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 1.112 8.224 5.132 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.437 -0.273 8.428 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -0.720 -0.465 8.851 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -1.696 0.793 9.645 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.850 -2.339 0.866 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -1.183 -2.920 0.644 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -2.247 -3.703 1.837 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 0.106 1.251 -2.743 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 1.627 0.535 -2.159 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.070 -0.212 -1.729 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 1.909 7.497 0.528 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 0.320 7.063 1.126 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -0.886 2.162 10.518 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 0.538 3.128 10.064 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -0.786 3.875 10.989 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -1.189 -4.684 3.450 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 -0.084 -4.153 4.741 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -1.510 -5.141 5.140 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 0.173 4.925 -2.619 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.084 4.967 -0.886 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 1.718 8.233 3.295 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 2.827 7.131 2.503 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 2.616 4.129 -1.152 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 1.776 3.298 -2.446 1.00 0.00 H new HETATM 0 HHD HEC A 104 -0.444 5.104 6.778 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.923 -1.190 6.368 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.872 -0.579 0.036 1.00 0.00 H new HETATM 0 HHA HEC A 104 1.620 5.182 0.812 1.00 0.00 H new HETATM 0 H2D HEC A 104 0.920 8.775 -0.698 1.00 0.00 H new HETATM 0 H2A HEC A 104 2.578 7.518 -2.295 1.00 0.00 H new