USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=31 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 67 TYR OH : rot -110:sc= 0.677 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 63 ASN : amide:sc= -0.548 K(o=-2.7,f=-2.2) USER MOD Set 2.2: A 74 TYR OH : rot 113:sc= -2.14! USER MOD Set 3.1: A 48 TYR OH : rot 60:sc= -0.995 USER MOD Set 3.2: A 52 ASN : amide:sc= -4.19! C(o=-7.8!,f=-14!) USER MOD Set 3.3: A 104 HEC O2A : rot -118:sc= -2.64! USER MOD Set 4.1: A 46 TYR OH : rot -81:sc= -0.502 USER MOD Set 4.2: A 104 HEC O2D : rot 170:sc= -1.47 USER MOD Set 5.1: A 39 HIS : no HD1:sc= -6.7! C(o=-7.8!,f=-8.7!) USER MOD Set 5.2: A 56 ASN : amide:sc= -1.08 K(o=-7.8,f=-10) USER MOD Set 6.1: A 19 THR OG1 : rot -94:sc= -2.97! USER MOD Set 6.2: A 31 ASN : amide:sc= -6.06! C(o=-9!,f=-5.5!) USER MOD Single : A 2 SER OG : rot 56:sc= 1.24 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -138:sc= -0.239 (180deg=-1.18) 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+ -108:sc= 0.0484 (180deg=-0.0333) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0125) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.49) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -2.28 K(o=-2.3,f=-2.8) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -3.24! C(o=-3.2!,f=-6.1!) USER MOD Single : A 40 SER OG : rot 120:sc= -0.891 USER MOD Single : A 42 GLN : amide:sc= -3.43! C(o=-3.4!,f=-2.7!) USER MOD Single : A 47 SER OG : rot 12:sc= 0.737 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 54 LYS NZ :NH3+ -101:sc= 0.254 (180deg=0.000147) USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= 1.07 (180deg=1.06) USER MOD Single : A 62 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.042) USER MOD Single : A 64 MET CE :methyl 176:sc= -2.7! (180deg=-2.96!) USER MOD Single : A 65 SER OG : rot -86:sc= 0.898 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.28 X(o=-0.28,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -153:sc= -0.0662 (180deg=-0.454) USER MOD Single : A 79 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0928) USER MOD Single : A 80 MET CE :methyl 162:sc= -0.911 (180deg=-2.12) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0297) USER MOD Single : A 92 ASN : amide:sc= -5.83! C(o=-5.8!,f=-4.8!) USER MOD Single : A 96 THR OG1 : rot -100:sc= 0.354 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 60:sc= -0.896! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 9.736 -15.956 -10.214 1.00 0.00 N ATOM 2 CA THR A -5 8.578 -15.865 -9.342 1.00 0.00 C ATOM 3 C THR A -5 8.993 -16.054 -7.882 1.00 0.00 C ATOM 4 O THR A -5 9.935 -16.789 -7.591 1.00 0.00 O ATOM 5 CB THR A -5 7.546 -16.889 -9.819 1.00 0.00 C ATOM 6 OG1 THR A -5 6.409 -16.646 -8.994 1.00 0.00 O ATOM 7 CG2 THR A -5 7.949 -18.326 -9.483 1.00 0.00 C ATOM 0 H1 THR A -5 9.968 -15.012 -10.582 1.00 0.00 H new ATOM 0 H2 THR A -5 10.546 -16.328 -9.678 1.00 0.00 H new ATOM 0 H3 THR A -5 9.524 -16.594 -11.007 1.00 0.00 H new ATOM 0 HA THR A -5 8.122 -14.876 -9.391 1.00 0.00 H new ATOM 0 HB THR A -5 7.410 -16.792 -10.896 1.00 0.00 H new ATOM 0 HG1 THR A -5 5.690 -17.266 -9.237 1.00 0.00 H new ATOM 0 HG21 THR A -5 7.183 -19.012 -9.843 1.00 0.00 H new ATOM 0 HG22 THR A -5 8.900 -18.559 -9.963 1.00 0.00 H new ATOM 0 HG23 THR A -5 8.052 -18.432 -8.403 1.00 0.00 H new ATOM 15 N GLU A -4 8.269 -15.379 -7.002 1.00 0.00 N ATOM 16 CA GLU A -4 8.550 -15.464 -5.579 1.00 0.00 C ATOM 17 C GLU A -4 7.354 -14.955 -4.770 1.00 0.00 C ATOM 18 O GLU A -4 7.414 -13.879 -4.178 1.00 0.00 O ATOM 19 CB GLU A -4 9.821 -14.689 -5.224 1.00 0.00 C ATOM 20 CG GLU A -4 10.291 -15.027 -3.808 1.00 0.00 C ATOM 21 CD GLU A -4 10.464 -13.759 -2.970 1.00 0.00 C ATOM 22 OE1 GLU A -4 9.703 -12.800 -3.228 1.00 0.00 O ATOM 23 OE2 GLU A -4 11.352 -13.776 -2.091 1.00 0.00 O ATOM 0 H GLU A -4 7.488 -14.771 -7.247 1.00 0.00 H new ATOM 0 HA GLU A -4 8.718 -16.510 -5.324 1.00 0.00 H new ATOM 0 HB2 GLU A -4 10.608 -14.927 -5.939 1.00 0.00 H new ATOM 0 HB3 GLU A -4 9.632 -13.618 -5.303 1.00 0.00 H new ATOM 0 HG2 GLU A -4 9.568 -15.688 -3.329 1.00 0.00 H new ATOM 0 HG3 GLU A -4 11.236 -15.568 -3.854 1.00 0.00 H new ATOM 30 N PHE A -3 6.297 -15.754 -4.772 1.00 0.00 N ATOM 31 CA PHE A -3 5.090 -15.399 -4.046 1.00 0.00 C ATOM 32 C PHE A -3 4.046 -16.513 -4.139 1.00 0.00 C ATOM 33 O PHE A -3 3.307 -16.597 -5.119 1.00 0.00 O ATOM 34 CB PHE A -3 4.529 -14.135 -4.702 1.00 0.00 C ATOM 35 CG PHE A -3 3.012 -13.985 -4.567 1.00 0.00 C ATOM 36 CD1 PHE A -3 2.442 -13.917 -3.335 1.00 0.00 C ATOM 37 CD2 PHE A -3 2.234 -13.919 -5.681 1.00 0.00 C ATOM 38 CE1 PHE A -3 1.035 -13.778 -3.210 1.00 0.00 C ATOM 39 CE2 PHE A -3 0.827 -13.779 -5.556 1.00 0.00 C ATOM 40 CZ PHE A -3 0.257 -13.711 -4.323 1.00 0.00 C ATOM 0 H PHE A -3 6.252 -16.646 -5.265 1.00 0.00 H new ATOM 0 HA PHE A -3 5.322 -15.243 -2.993 1.00 0.00 H new ATOM 0 HB2 PHE A -3 5.011 -13.263 -4.259 1.00 0.00 H new ATOM 0 HB3 PHE A -3 4.791 -14.140 -5.760 1.00 0.00 H new ATOM 0 HD1 PHE A -3 3.060 -13.969 -2.451 1.00 0.00 H new ATOM 0 HD2 PHE A -3 2.687 -13.973 -6.660 1.00 0.00 H new ATOM 0 HE1 PHE A -3 0.582 -13.725 -2.231 1.00 0.00 H new ATOM 0 HE2 PHE A -3 0.209 -13.726 -6.440 1.00 0.00 H new ATOM 0 HZ PHE A -3 -0.813 -13.604 -4.228 1.00 0.00 H new ATOM 50 N LYS A -2 4.018 -17.342 -3.106 1.00 0.00 N ATOM 51 CA LYS A -2 3.077 -18.448 -3.058 1.00 0.00 C ATOM 52 C LYS A -2 1.650 -17.897 -3.026 1.00 0.00 C ATOM 53 O LYS A -2 1.309 -17.096 -2.157 1.00 0.00 O ATOM 54 CB LYS A -2 3.402 -19.379 -1.889 1.00 0.00 C ATOM 55 CG LYS A -2 2.543 -19.046 -0.667 1.00 0.00 C ATOM 56 CD LYS A -2 3.005 -19.836 0.559 1.00 0.00 C ATOM 57 CE LYS A -2 2.125 -21.068 0.781 1.00 0.00 C ATOM 58 NZ LYS A -2 2.734 -22.260 0.150 1.00 0.00 N ATOM 0 H LYS A -2 4.632 -17.270 -2.295 1.00 0.00 H new ATOM 0 HA LYS A -2 3.164 -19.060 -3.956 1.00 0.00 H new ATOM 0 HB2 LYS A -2 3.233 -20.414 -2.186 1.00 0.00 H new ATOM 0 HB3 LYS A -2 4.457 -19.290 -1.631 1.00 0.00 H new ATOM 0 HG2 LYS A -2 2.600 -17.978 -0.458 1.00 0.00 H new ATOM 0 HG3 LYS A -2 1.498 -19.274 -0.879 1.00 0.00 H new ATOM 0 HD2 LYS A -2 4.042 -20.144 0.428 1.00 0.00 H new ATOM 0 HD3 LYS A -2 2.972 -19.197 1.441 1.00 0.00 H new ATOM 0 HE2 LYS A -2 1.994 -21.241 1.849 1.00 0.00 H new ATOM 0 HE3 LYS A -2 1.134 -20.894 0.363 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 2.124 -23.087 0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 2.836 -22.098 -0.872 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 3.670 -22.434 0.568 1.00 0.00 H new ATOM 72 N ALA A -1 0.854 -18.347 -3.985 1.00 0.00 N ATOM 73 CA ALA A -1 -0.529 -17.909 -4.078 1.00 0.00 C ATOM 74 C ALA A -1 -1.286 -18.358 -2.826 1.00 0.00 C ATOM 75 O ALA A -1 -0.894 -19.322 -2.171 1.00 0.00 O ATOM 76 CB ALA A -1 -1.152 -18.455 -5.364 1.00 0.00 C ATOM 0 H ALA A -1 1.140 -19.011 -4.705 1.00 0.00 H new ATOM 0 HA ALA A -1 -0.586 -16.821 -4.125 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -2.189 -18.127 -5.434 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -0.595 -18.084 -6.224 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -1.116 -19.544 -5.352 1.00 0.00 H new ATOM 82 N GLY A 1 -2.358 -17.637 -2.532 1.00 0.00 N ATOM 83 CA GLY A 1 -3.174 -17.949 -1.371 1.00 0.00 C ATOM 84 C GLY A 1 -4.564 -18.430 -1.791 1.00 0.00 C ATOM 85 O GLY A 1 -4.690 -19.313 -2.639 1.00 0.00 O ATOM 0 H GLY A 1 -2.680 -16.838 -3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.684 -18.718 -0.774 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.267 -17.066 -0.739 1.00 0.00 H new ATOM 89 N SER A 2 -5.574 -17.828 -1.180 1.00 0.00 N ATOM 90 CA SER A 2 -6.950 -18.184 -1.480 1.00 0.00 C ATOM 91 C SER A 2 -7.906 -17.215 -0.780 1.00 0.00 C ATOM 92 O SER A 2 -8.478 -16.333 -1.419 1.00 0.00 O ATOM 93 CB SER A 2 -7.251 -19.623 -1.058 1.00 0.00 C ATOM 94 OG SER A 2 -6.944 -20.557 -2.089 1.00 0.00 O ATOM 0 H SER A 2 -5.466 -17.096 -0.478 1.00 0.00 H new ATOM 0 HA SER A 2 -7.094 -18.112 -2.558 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.676 -19.867 -0.165 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.304 -19.710 -0.792 1.00 0.00 H new ATOM 0 HG SER A 2 -6.009 -20.449 -2.360 1.00 0.00 H new ATOM 100 N ALA A 3 -8.048 -17.411 0.522 1.00 0.00 N ATOM 101 CA ALA A 3 -8.925 -16.566 1.315 1.00 0.00 C ATOM 102 C ALA A 3 -8.631 -16.785 2.800 1.00 0.00 C ATOM 103 O ALA A 3 -9.539 -16.747 3.629 1.00 0.00 O ATOM 104 CB ALA A 3 -10.382 -16.865 0.959 1.00 0.00 C ATOM 0 H ALA A 3 -7.571 -18.143 1.048 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.745 -15.514 1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -11.039 -16.231 1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.546 -16.665 -0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.600 -17.912 1.169 1.00 0.00 H new ATOM 110 N LYS A 4 -7.358 -17.010 3.092 1.00 0.00 N ATOM 111 CA LYS A 4 -6.933 -17.235 4.463 1.00 0.00 C ATOM 112 C LYS A 4 -7.208 -15.978 5.291 1.00 0.00 C ATOM 113 O LYS A 4 -8.178 -15.264 5.039 1.00 0.00 O ATOM 114 CB LYS A 4 -5.473 -17.690 4.503 1.00 0.00 C ATOM 115 CG LYS A 4 -5.267 -18.779 5.558 1.00 0.00 C ATOM 116 CD LYS A 4 -3.886 -19.423 5.419 1.00 0.00 C ATOM 117 CE LYS A 4 -4.000 -20.866 4.924 1.00 0.00 C ATOM 118 NZ LYS A 4 -2.704 -21.333 4.384 1.00 0.00 N ATOM 0 H LYS A 4 -6.607 -17.041 2.402 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.508 -18.045 4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.179 -18.067 3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.829 -16.839 4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.373 -18.350 6.554 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.040 -19.541 5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.279 -18.843 4.724 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.374 -19.404 6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.314 -21.514 5.743 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.767 -20.932 4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.799 -22.314 4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.420 -20.725 3.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.981 -21.288 5.130 1.00 0.00 H new ATOM 132 N LYS A 5 -6.338 -15.745 6.262 1.00 0.00 N ATOM 133 CA LYS A 5 -6.475 -14.587 7.128 1.00 0.00 C ATOM 134 C LYS A 5 -6.040 -13.332 6.368 1.00 0.00 C ATOM 135 O LYS A 5 -5.130 -12.625 6.799 1.00 0.00 O ATOM 136 CB LYS A 5 -5.717 -14.805 8.439 1.00 0.00 C ATOM 137 CG LYS A 5 -4.228 -15.041 8.179 1.00 0.00 C ATOM 138 CD LYS A 5 -3.417 -14.904 9.469 1.00 0.00 C ATOM 139 CE LYS A 5 -3.367 -13.447 9.933 1.00 0.00 C ATOM 140 NZ LYS A 5 -4.339 -13.218 11.026 1.00 0.00 N ATOM 0 H LYS A 5 -5.535 -16.339 6.468 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.518 -14.444 7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.844 -13.936 9.085 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.137 -15.660 8.968 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.082 -16.036 7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.866 -14.326 7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.861 -15.523 10.249 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.404 -15.273 9.307 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.361 -13.202 10.275 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.589 -12.785 9.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.822 -12.310 10.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.040 -13.986 11.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.838 -13.197 11.937 1.00 0.00 H new ATOM 154 N GLY A 6 -6.710 -13.094 5.250 1.00 0.00 N ATOM 155 CA GLY A 6 -6.404 -11.937 4.426 1.00 0.00 C ATOM 156 C GLY A 6 -7.339 -10.771 4.750 1.00 0.00 C ATOM 157 O GLY A 6 -6.883 -9.656 5.002 1.00 0.00 O ATOM 0 H GLY A 6 -7.464 -13.683 4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.370 -11.634 4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -6.498 -12.201 3.373 1.00 0.00 H new ATOM 161 N ALA A 7 -8.630 -11.067 4.732 1.00 0.00 N ATOM 162 CA ALA A 7 -9.634 -10.056 5.021 1.00 0.00 C ATOM 163 C ALA A 7 -9.299 -9.376 6.349 1.00 0.00 C ATOM 164 O ALA A 7 -9.046 -8.173 6.388 1.00 0.00 O ATOM 165 CB ALA A 7 -11.021 -10.702 5.030 1.00 0.00 C ATOM 0 H ALA A 7 -9.004 -11.992 4.522 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.638 -9.287 4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.774 -9.944 5.247 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.222 -11.145 4.055 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.056 -11.478 5.795 1.00 0.00 H new ATOM 171 N THR A 8 -9.308 -10.175 7.406 1.00 0.00 N ATOM 172 CA THR A 8 -9.009 -9.665 8.733 1.00 0.00 C ATOM 173 C THR A 8 -7.693 -8.884 8.720 1.00 0.00 C ATOM 174 O THR A 8 -7.449 -8.057 9.597 1.00 0.00 O ATOM 175 CB THR A 8 -9.004 -10.847 9.704 1.00 0.00 C ATOM 176 OG1 THR A 8 -10.149 -10.629 10.523 1.00 0.00 O ATOM 177 CG2 THR A 8 -7.830 -10.796 10.684 1.00 0.00 C ATOM 0 H THR A 8 -9.518 -11.173 7.370 1.00 0.00 H new ATOM 0 HA THR A 8 -9.768 -8.957 9.065 1.00 0.00 H new ATOM 0 HB THR A 8 -8.965 -11.779 9.140 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.223 -11.352 11.181 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.874 -11.658 11.350 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.892 -10.814 10.129 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.886 -9.880 11.272 1.00 0.00 H new ATOM 185 N LEU A 9 -6.880 -9.174 7.715 1.00 0.00 N ATOM 186 CA LEU A 9 -5.595 -8.510 7.575 1.00 0.00 C ATOM 187 C LEU A 9 -5.822 -7.053 7.166 1.00 0.00 C ATOM 188 O LEU A 9 -5.704 -6.147 7.990 1.00 0.00 O ATOM 189 CB LEU A 9 -4.692 -9.285 6.614 1.00 0.00 C ATOM 190 CG LEU A 9 -3.205 -9.317 6.970 1.00 0.00 C ATOM 191 CD1 LEU A 9 -2.623 -10.717 6.770 1.00 0.00 C ATOM 192 CD2 LEU A 9 -2.430 -8.257 6.184 1.00 0.00 C ATOM 0 H LEU A 9 -7.086 -9.860 6.989 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.067 -8.496 8.529 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.053 -10.312 6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.798 -8.853 5.619 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.102 -9.074 8.027 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.565 -10.712 7.030 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.150 -11.425 7.409 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.739 -11.014 5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.375 -8.301 6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.538 -8.445 5.116 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.824 -7.269 6.420 1.00 0.00 H new ATOM 204 N PHE A 10 -6.142 -6.872 5.893 1.00 0.00 N ATOM 205 CA PHE A 10 -6.386 -5.541 5.365 1.00 0.00 C ATOM 206 C PHE A 10 -7.324 -4.751 6.280 1.00 0.00 C ATOM 207 O PHE A 10 -7.338 -3.521 6.248 1.00 0.00 O ATOM 208 CB PHE A 10 -7.054 -5.717 4.000 1.00 0.00 C ATOM 209 CG PHE A 10 -7.118 -4.434 3.168 1.00 0.00 C ATOM 210 CD1 PHE A 10 -5.970 -3.847 2.736 1.00 0.00 C ATOM 211 CD2 PHE A 10 -8.322 -3.882 2.861 1.00 0.00 C ATOM 212 CE1 PHE A 10 -6.029 -2.656 1.964 1.00 0.00 C ATOM 213 CE2 PHE A 10 -8.381 -2.691 2.089 1.00 0.00 C ATOM 214 CZ PHE A 10 -7.233 -2.104 1.657 1.00 0.00 C ATOM 0 H PHE A 10 -6.238 -7.625 5.212 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.447 -4.992 5.291 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.512 -6.476 3.437 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.066 -6.093 4.148 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.014 -4.286 2.980 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -9.233 -4.349 3.204 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.118 -2.189 1.621 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.337 -2.252 1.845 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.278 -1.199 1.070 1.00 0.00 H new ATOM 224 N LYS A 11 -8.084 -5.489 7.075 1.00 0.00 N ATOM 225 CA LYS A 11 -9.022 -4.873 7.997 1.00 0.00 C ATOM 226 C LYS A 11 -8.255 -4.292 9.186 1.00 0.00 C ATOM 227 O LYS A 11 -8.595 -3.221 9.686 1.00 0.00 O ATOM 228 CB LYS A 11 -10.113 -5.869 8.397 1.00 0.00 C ATOM 229 CG LYS A 11 -11.483 -5.189 8.451 1.00 0.00 C ATOM 230 CD LYS A 11 -12.548 -6.144 8.994 1.00 0.00 C ATOM 231 CE LYS A 11 -13.066 -5.672 10.354 1.00 0.00 C ATOM 232 NZ LYS A 11 -11.993 -5.747 11.371 1.00 0.00 N ATOM 0 H LYS A 11 -8.069 -6.509 7.100 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.540 -4.044 7.515 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.139 -6.692 7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.878 -6.300 9.370 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.428 -4.302 9.083 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.766 -4.853 7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.376 -6.210 8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.129 -7.146 9.088 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.430 -4.648 10.276 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.911 -6.288 10.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.382 -5.505 12.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.606 -6.712 11.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.236 -5.077 11.127 1.00 0.00 H new ATOM 246 N THR A 12 -7.232 -5.024 9.605 1.00 0.00 N ATOM 247 CA THR A 12 -6.414 -4.594 10.726 1.00 0.00 C ATOM 248 C THR A 12 -4.965 -4.386 10.279 1.00 0.00 C ATOM 249 O THR A 12 -4.349 -5.290 9.717 1.00 0.00 O ATOM 250 CB THR A 12 -6.562 -5.629 11.843 1.00 0.00 C ATOM 251 OG1 THR A 12 -7.409 -4.992 12.795 1.00 0.00 O ATOM 252 CG2 THR A 12 -5.255 -5.860 12.604 1.00 0.00 C ATOM 0 H THR A 12 -6.952 -5.912 9.188 1.00 0.00 H new ATOM 0 HA THR A 12 -6.745 -3.629 11.111 1.00 0.00 H new ATOM 0 HB THR A 12 -6.908 -6.572 11.421 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.559 -5.594 13.553 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.415 -6.603 13.385 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.491 -6.218 11.914 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.927 -4.924 13.056 1.00 0.00 H new ATOM 260 N ARG A 13 -4.464 -3.188 10.545 1.00 0.00 N ATOM 261 CA ARG A 13 -3.100 -2.850 10.178 1.00 0.00 C ATOM 262 C ARG A 13 -3.044 -2.373 8.725 1.00 0.00 C ATOM 263 O ARG A 13 -1.991 -2.421 8.092 1.00 0.00 O ATOM 264 CB ARG A 13 -2.169 -4.052 10.349 1.00 0.00 C ATOM 265 CG ARG A 13 -2.402 -4.739 11.696 1.00 0.00 C ATOM 266 CD ARG A 13 -1.324 -4.344 12.707 1.00 0.00 C ATOM 267 NE ARG A 13 -0.894 -5.531 13.478 1.00 0.00 N ATOM 268 CZ ARG A 13 -0.331 -5.475 14.693 1.00 0.00 C ATOM 269 NH1 ARG A 13 -0.126 -4.289 15.282 1.00 0.00 N ATOM 270 NH2 ARG A 13 0.028 -6.604 15.319 1.00 0.00 N ATOM 0 H ARG A 13 -4.979 -2.440 11.010 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.767 -2.050 10.840 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.336 -4.764 9.540 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.131 -3.726 10.278 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.384 -4.467 12.082 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.401 -5.821 11.562 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.470 -3.908 12.189 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.710 -3.581 13.383 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.035 -6.450 13.059 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.398 -3.429 14.806 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.302 -4.246 16.207 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.127 -7.507 14.871 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.456 -6.560 16.244 1.00 0.00 H new ATOM 284 N CYS A 14 -4.192 -1.923 8.239 1.00 0.00 N ATOM 285 CA CYS A 14 -4.287 -1.438 6.873 1.00 0.00 C ATOM 286 C CYS A 14 -5.498 -0.508 6.777 1.00 0.00 C ATOM 287 O CYS A 14 -5.345 0.705 6.644 1.00 0.00 O ATOM 288 CB CYS A 14 -4.370 -2.589 5.868 1.00 0.00 C ATOM 289 SG CYS A 14 -2.834 -3.568 5.695 1.00 0.00 S ATOM 0 H CYS A 14 -5.064 -1.884 8.767 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.384 -0.884 6.617 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.178 -3.257 6.167 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.637 -2.183 4.893 1.00 0.00 H new ATOM 294 N LEU A 15 -6.675 -1.112 6.847 1.00 0.00 N ATOM 295 CA LEU A 15 -7.912 -0.354 6.770 1.00 0.00 C ATOM 296 C LEU A 15 -7.808 0.876 7.674 1.00 0.00 C ATOM 297 O LEU A 15 -8.319 1.944 7.337 1.00 0.00 O ATOM 298 CB LEU A 15 -9.111 -1.250 7.086 1.00 0.00 C ATOM 299 CG LEU A 15 -10.091 -1.489 5.936 1.00 0.00 C ATOM 300 CD1 LEU A 15 -9.393 -2.158 4.750 1.00 0.00 C ATOM 301 CD2 LEU A 15 -11.308 -2.287 6.410 1.00 0.00 C ATOM 0 H LEU A 15 -6.798 -2.119 6.956 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.074 0.008 5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.738 -2.216 7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.659 -0.809 7.919 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.455 -0.521 5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.112 -2.316 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.586 -1.517 4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.982 -3.118 5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.989 -2.443 5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.982 -3.252 6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.821 -1.735 7.197 1.00 0.00 H new ATOM 313 N GLN A 16 -7.143 0.686 8.804 1.00 0.00 N ATOM 314 CA GLN A 16 -6.966 1.767 9.759 1.00 0.00 C ATOM 315 C GLN A 16 -6.513 3.040 9.041 1.00 0.00 C ATOM 316 O GLN A 16 -6.728 4.146 9.535 1.00 0.00 O ATOM 317 CB GLN A 16 -5.974 1.373 10.855 1.00 0.00 C ATOM 318 CG GLN A 16 -4.591 1.088 10.266 1.00 0.00 C ATOM 319 CD GLN A 16 -3.571 0.808 11.372 1.00 0.00 C ATOM 320 OE1 GLN A 16 -2.576 1.497 11.524 1.00 0.00 O ATOM 321 NE2 GLN A 16 -3.874 -0.239 12.135 1.00 0.00 N ATOM 0 H GLN A 16 -6.720 -0.200 9.080 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.925 1.965 10.237 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.902 2.174 11.590 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.339 0.490 11.380 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.648 0.232 9.593 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.263 1.940 9.671 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.723 -0.774 11.953 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.257 -0.507 12.902 1.00 0.00 H new ATOM 330 N CYS A 17 -5.893 2.842 7.887 1.00 0.00 N ATOM 331 CA CYS A 17 -5.408 3.961 7.096 1.00 0.00 C ATOM 332 C CYS A 17 -6.239 4.040 5.815 1.00 0.00 C ATOM 333 O CYS A 17 -6.911 5.000 5.426 1.00 0.00 O ATOM 334 CB CYS A 17 -3.912 3.836 6.799 1.00 0.00 C ATOM 335 SG CYS A 17 -2.835 3.817 8.279 1.00 0.00 S ATOM 0 H CYS A 17 -5.715 1.924 7.481 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.524 4.886 7.660 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.744 2.920 6.233 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.612 4.666 6.159 1.00 0.00 H new ATOM 340 N HIS A 18 -6.215 2.902 5.032 1.00 0.00 N ATOM 341 CA HIS A 18 -6.633 2.880 3.616 1.00 0.00 C ATOM 342 C HIS A 18 -7.984 2.230 3.352 1.00 0.00 C ATOM 343 O HIS A 18 -8.534 1.436 4.113 1.00 0.00 O ATOM 344 CB HIS A 18 -5.661 2.031 2.785 1.00 0.00 C ATOM 345 CG HIS A 18 -4.204 2.391 2.667 1.00 0.00 C ATOM 346 ND1 HIS A 18 -3.735 3.260 1.749 1.00 0.00 N ATOM 347 CD2 HIS A 18 -3.107 1.908 3.353 1.00 0.00 C ATOM 348 CE1 HIS A 18 -2.495 3.360 1.877 1.00 0.00 C ATOM 349 NE2 HIS A 18 -2.012 2.513 2.836 1.00 0.00 N ATOM 0 H HIS A 18 -5.905 1.994 5.380 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.665 3.936 3.349 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.705 1.018 3.184 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.061 1.993 1.772 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.301 3.756 1.061 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.120 1.183 4.153 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.880 4.034 1.300 1.00 0.00 H new ATOM 357 N THR A 19 -8.494 2.642 2.201 1.00 0.00 N ATOM 358 CA THR A 19 -9.788 2.165 1.742 1.00 0.00 C ATOM 359 C THR A 19 -9.699 1.700 0.287 1.00 0.00 C ATOM 360 O THR A 19 -9.288 2.461 -0.588 1.00 0.00 O ATOM 361 CB THR A 19 -10.809 3.284 1.961 1.00 0.00 C ATOM 362 OG1 THR A 19 -10.550 4.202 0.903 1.00 0.00 O ATOM 363 CG2 THR A 19 -10.530 4.090 3.231 1.00 0.00 C ATOM 0 H THR A 19 -8.035 3.301 1.572 1.00 0.00 H new ATOM 0 HA THR A 19 -10.113 1.293 2.310 1.00 0.00 H new ATOM 0 HB THR A 19 -11.810 2.857 2.015 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.938 4.900 1.218 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.283 4.871 3.339 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.566 3.429 4.097 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.542 4.546 3.163 1.00 0.00 H new ATOM 371 N VAL A 20 -10.093 0.453 0.073 1.00 0.00 N ATOM 372 CA VAL A 20 -10.063 -0.123 -1.260 1.00 0.00 C ATOM 373 C VAL A 20 -11.190 0.485 -2.099 1.00 0.00 C ATOM 374 O VAL A 20 -11.004 0.773 -3.280 1.00 0.00 O ATOM 375 CB VAL A 20 -10.138 -1.648 -1.174 1.00 0.00 C ATOM 376 CG1 VAL A 20 -11.412 -2.094 -0.454 1.00 0.00 C ATOM 377 CG2 VAL A 20 -10.043 -2.282 -2.563 1.00 0.00 C ATOM 0 H VAL A 20 -10.435 -0.174 0.801 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.122 0.114 -1.757 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.284 -1.992 -0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.441 -3.183 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.420 -1.686 0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -12.284 -1.731 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.099 -3.367 -2.472 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.867 -1.927 -3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.096 -2.005 -3.025 1.00 0.00 H new ATOM 387 N GLU A 21 -12.334 0.662 -1.454 1.00 0.00 N ATOM 388 CA GLU A 21 -13.491 1.229 -2.125 1.00 0.00 C ATOM 389 C GLU A 21 -13.079 2.450 -2.951 1.00 0.00 C ATOM 390 O GLU A 21 -11.965 2.951 -2.812 1.00 0.00 O ATOM 391 CB GLU A 21 -14.585 1.592 -1.119 1.00 0.00 C ATOM 392 CG GLU A 21 -14.793 0.466 -0.105 1.00 0.00 C ATOM 393 CD GLU A 21 -16.205 0.510 0.483 1.00 0.00 C ATOM 394 OE1 GLU A 21 -17.124 0.882 -0.278 1.00 0.00 O ATOM 395 OE2 GLU A 21 -16.332 0.172 1.679 1.00 0.00 O ATOM 0 H GLU A 21 -12.484 0.423 -0.474 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.900 0.478 -2.801 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.314 2.510 -0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -15.518 1.788 -1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.626 -0.497 -0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -14.059 0.553 0.696 1.00 0.00 H new ATOM 402 N LYS A 22 -14.001 2.893 -3.794 1.00 0.00 N ATOM 403 CA LYS A 22 -13.748 4.045 -4.642 1.00 0.00 C ATOM 404 C LYS A 22 -14.110 5.322 -3.882 1.00 0.00 C ATOM 405 O LYS A 22 -13.273 6.208 -3.714 1.00 0.00 O ATOM 406 CB LYS A 22 -14.478 3.897 -5.978 1.00 0.00 C ATOM 407 CG LYS A 22 -13.781 4.702 -7.077 1.00 0.00 C ATOM 408 CD LYS A 22 -14.141 4.165 -8.463 1.00 0.00 C ATOM 409 CE LYS A 22 -12.890 3.699 -9.212 1.00 0.00 C ATOM 410 NZ LYS A 22 -12.919 4.173 -10.614 1.00 0.00 N ATOM 0 H LYS A 22 -14.924 2.474 -3.907 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.688 4.110 -4.889 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.515 2.845 -6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.509 4.236 -5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.070 5.750 -7.003 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.701 4.658 -6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.841 3.335 -8.365 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.646 4.941 -9.038 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.998 4.077 -8.712 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.830 2.611 -9.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.063 3.848 -11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.760 3.792 -11.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.954 5.212 -10.628 1.00 0.00 H new ATOM 424 N GLY A 23 -15.359 5.377 -3.442 1.00 0.00 N ATOM 425 CA GLY A 23 -15.842 6.531 -2.703 1.00 0.00 C ATOM 426 C GLY A 23 -15.304 6.531 -1.271 1.00 0.00 C ATOM 427 O GLY A 23 -16.075 6.503 -0.314 1.00 0.00 O ATOM 0 H GLY A 23 -16.051 4.641 -3.583 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.536 7.446 -3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.932 6.526 -2.686 1.00 0.00 H new ATOM 431 N GLY A 24 -13.983 6.561 -1.170 1.00 0.00 N ATOM 432 CA GLY A 24 -13.332 6.565 0.129 1.00 0.00 C ATOM 433 C GLY A 24 -12.500 7.834 0.323 1.00 0.00 C ATOM 434 O GLY A 24 -11.626 8.138 -0.488 1.00 0.00 O ATOM 0 H GLY A 24 -13.346 6.583 -1.966 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.083 6.495 0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.691 5.688 0.221 1.00 0.00 H new ATOM 438 N PRO A 25 -12.810 8.561 1.430 1.00 0.00 N ATOM 439 CA PRO A 25 -12.101 9.791 1.740 1.00 0.00 C ATOM 440 C PRO A 25 -10.702 9.495 2.283 1.00 0.00 C ATOM 441 O PRO A 25 -10.532 8.613 3.122 1.00 0.00 O ATOM 442 CB PRO A 25 -12.987 10.514 2.742 1.00 0.00 C ATOM 443 CG PRO A 25 -13.924 9.459 3.306 1.00 0.00 C ATOM 444 CD PRO A 25 -13.839 8.233 2.412 1.00 0.00 C ATOM 0 HA PRO A 25 -11.930 10.411 0.860 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.391 10.970 3.533 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.546 11.316 2.261 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.643 9.206 4.328 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.946 9.836 3.341 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.572 7.344 2.983 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.795 8.027 1.930 1.00 0.00 H new ATOM 452 N HIS A 26 -9.736 10.251 1.782 1.00 0.00 N ATOM 453 CA HIS A 26 -8.356 10.081 2.206 1.00 0.00 C ATOM 454 C HIS A 26 -8.261 10.260 3.723 1.00 0.00 C ATOM 455 O HIS A 26 -8.903 11.143 4.289 1.00 0.00 O ATOM 456 CB HIS A 26 -7.431 11.027 1.438 1.00 0.00 C ATOM 457 CG HIS A 26 -7.563 10.930 -0.063 1.00 0.00 C ATOM 458 ND1 HIS A 26 -7.652 9.721 -0.731 1.00 0.00 N ATOM 459 CD2 HIS A 26 -7.620 11.902 -1.017 1.00 0.00 C ATOM 460 CE1 HIS A 26 -7.757 9.967 -2.029 1.00 0.00 C ATOM 461 NE2 HIS A 26 -7.737 11.319 -2.204 1.00 0.00 N ATOM 0 H HIS A 26 -9.881 10.983 1.086 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.021 9.071 1.972 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.640 12.052 1.745 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.399 10.815 1.716 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.577 12.966 -0.838 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -7.843 9.227 -2.811 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -7.801 11.803 -3.100 1.00 0.00 H new ATOM 469 N LYS A 27 -7.453 9.407 4.337 1.00 0.00 N ATOM 470 CA LYS A 27 -7.265 9.460 5.777 1.00 0.00 C ATOM 471 C LYS A 27 -5.768 9.464 6.091 1.00 0.00 C ATOM 472 O LYS A 27 -5.133 10.518 6.095 1.00 0.00 O ATOM 473 CB LYS A 27 -8.034 8.327 6.460 1.00 0.00 C ATOM 474 CG LYS A 27 -9.354 8.834 7.044 1.00 0.00 C ATOM 475 CD LYS A 27 -10.479 7.823 6.817 1.00 0.00 C ATOM 476 CE LYS A 27 -11.806 8.344 7.373 1.00 0.00 C ATOM 477 NZ LYS A 27 -12.939 7.566 6.825 1.00 0.00 N ATOM 0 H LYS A 27 -6.922 8.676 3.864 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.679 10.384 6.182 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.232 7.532 5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.424 7.895 7.253 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.236 9.018 8.112 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.618 9.786 6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.582 7.621 5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.226 6.878 7.297 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.803 8.276 8.461 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.924 9.398 7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.832 7.933 7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.950 7.652 5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.833 6.565 7.088 1.00 0.00 H new ATOM 491 N VAL A 28 -5.246 8.273 6.347 1.00 0.00 N ATOM 492 CA VAL A 28 -3.835 8.126 6.661 1.00 0.00 C ATOM 493 C VAL A 28 -3.068 7.764 5.388 1.00 0.00 C ATOM 494 O VAL A 28 -1.902 8.125 5.238 1.00 0.00 O ATOM 495 CB VAL A 28 -3.653 7.098 7.781 1.00 0.00 C ATOM 496 CG1 VAL A 28 -2.172 6.898 8.105 1.00 0.00 C ATOM 497 CG2 VAL A 28 -4.438 7.503 9.030 1.00 0.00 C ATOM 0 H VAL A 28 -5.775 7.401 6.343 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.426 9.066 7.030 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.051 6.146 7.430 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.070 6.163 8.904 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.650 6.543 7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.739 7.845 8.426 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.291 6.756 9.810 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.084 8.471 9.384 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.498 7.571 8.787 1.00 0.00 H new ATOM 507 N GLY A 29 -3.755 7.057 4.502 1.00 0.00 N ATOM 508 CA GLY A 29 -3.152 6.643 3.246 1.00 0.00 C ATOM 509 C GLY A 29 -4.093 6.916 2.071 1.00 0.00 C ATOM 510 O GLY A 29 -5.306 7.015 2.252 1.00 0.00 O ATOM 0 H GLY A 29 -4.723 6.761 4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.213 7.176 3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.913 5.580 3.286 1.00 0.00 H new ATOM 514 N PRO A 30 -3.483 7.031 0.861 1.00 0.00 N ATOM 515 CA PRO A 30 -4.253 7.290 -0.344 1.00 0.00 C ATOM 516 C PRO A 30 -4.996 6.033 -0.800 1.00 0.00 C ATOM 517 O PRO A 30 -4.417 4.949 -0.850 1.00 0.00 O ATOM 518 CB PRO A 30 -3.237 7.782 -1.361 1.00 0.00 C ATOM 519 CG PRO A 30 -1.878 7.341 -0.841 1.00 0.00 C ATOM 520 CD PRO A 30 -2.049 6.919 0.609 1.00 0.00 C ATOM 0 HA PRO A 30 -5.036 8.033 -0.192 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.434 7.359 -2.346 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.282 8.866 -1.465 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.491 6.514 -1.436 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.157 8.155 -0.919 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.697 5.900 0.769 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.478 7.562 1.279 1.00 0.00 H new ATOM 528 N ASN A 31 -6.268 6.220 -1.121 1.00 0.00 N ATOM 529 CA ASN A 31 -7.096 5.115 -1.572 1.00 0.00 C ATOM 530 C ASN A 31 -6.341 4.319 -2.638 1.00 0.00 C ATOM 531 O ASN A 31 -5.962 4.865 -3.673 1.00 0.00 O ATOM 532 CB ASN A 31 -8.399 5.621 -2.194 1.00 0.00 C ATOM 533 CG ASN A 31 -9.574 5.437 -1.232 1.00 0.00 C ATOM 534 OD1 ASN A 31 -9.713 6.135 -0.240 1.00 0.00 O ATOM 535 ND2 ASN A 31 -10.410 4.462 -1.578 1.00 0.00 N ATOM 0 H ASN A 31 -6.745 7.120 -1.078 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.327 4.492 -0.708 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.297 6.675 -2.452 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.596 5.083 -3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.226 4.261 -1.000 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.235 3.916 -2.421 1.00 0.00 H new ATOM 542 N LEU A 32 -6.145 3.041 -2.349 1.00 0.00 N ATOM 543 CA LEU A 32 -5.442 2.164 -3.270 1.00 0.00 C ATOM 544 C LEU A 32 -6.397 1.729 -4.382 1.00 0.00 C ATOM 545 O LEU A 32 -6.207 2.087 -5.544 1.00 0.00 O ATOM 546 CB LEU A 32 -4.803 0.996 -2.516 1.00 0.00 C ATOM 547 CG LEU A 32 -3.998 1.364 -1.268 1.00 0.00 C ATOM 548 CD1 LEU A 32 -3.762 0.136 -0.386 1.00 0.00 C ATOM 549 CD2 LEU A 32 -2.687 2.058 -1.645 1.00 0.00 C ATOM 0 H LEU A 32 -6.461 2.592 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.618 2.694 -3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.592 0.303 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.147 0.461 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.582 2.074 -0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.188 0.425 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.721 -0.277 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.209 -0.616 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.135 2.309 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.087 1.391 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.905 2.970 -2.201 1.00 0.00 H new ATOM 561 N HIS A 33 -7.404 0.963 -3.988 1.00 0.00 N ATOM 562 CA HIS A 33 -8.389 0.475 -4.938 1.00 0.00 C ATOM 563 C HIS A 33 -7.781 -0.651 -5.776 1.00 0.00 C ATOM 564 O HIS A 33 -7.102 -1.528 -5.244 1.00 0.00 O ATOM 565 CB HIS A 33 -8.935 1.621 -5.792 1.00 0.00 C ATOM 566 CG HIS A 33 -10.311 1.364 -6.358 1.00 0.00 C ATOM 567 ND1 HIS A 33 -10.859 0.097 -6.451 1.00 0.00 N ATOM 568 CD2 HIS A 33 -11.244 2.225 -6.857 1.00 0.00 C ATOM 569 CE1 HIS A 33 -12.067 0.201 -6.984 1.00 0.00 C ATOM 570 NE2 HIS A 33 -12.304 1.521 -7.236 1.00 0.00 N ATOM 0 H HIS A 33 -7.559 0.668 -3.024 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.242 0.061 -4.401 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.965 2.528 -5.188 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.244 1.809 -6.614 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -10.409 -0.770 -6.159 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -11.138 3.297 -6.931 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.745 -0.615 -7.184 1.00 0.00 H new ATOM 578 N GLY A 34 -8.047 -0.591 -7.072 1.00 0.00 N ATOM 579 CA GLY A 34 -7.534 -1.595 -7.989 1.00 0.00 C ATOM 580 C GLY A 34 -6.142 -1.214 -8.496 1.00 0.00 C ATOM 581 O GLY A 34 -5.935 -1.064 -9.700 1.00 0.00 O ATOM 0 H GLY A 34 -8.611 0.137 -7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.490 -2.562 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.215 -1.704 -8.833 1.00 0.00 H new ATOM 585 N ILE A 35 -5.223 -1.068 -7.553 1.00 0.00 N ATOM 586 CA ILE A 35 -3.856 -0.707 -7.890 1.00 0.00 C ATOM 587 C ILE A 35 -3.259 -1.782 -8.801 1.00 0.00 C ATOM 588 O ILE A 35 -3.968 -2.375 -9.613 1.00 0.00 O ATOM 589 CB ILE A 35 -3.040 -0.456 -6.620 1.00 0.00 C ATOM 590 CG1 ILE A 35 -2.713 -1.771 -5.909 1.00 0.00 C ATOM 591 CG2 ILE A 35 -3.754 0.532 -5.696 1.00 0.00 C ATOM 592 CD1 ILE A 35 -3.609 -1.971 -4.685 1.00 0.00 C ATOM 0 H ILE A 35 -5.398 -1.193 -6.556 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.836 0.230 -8.446 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.092 -0.001 -6.908 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.844 -2.604 -6.600 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.667 -1.772 -5.602 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.153 0.693 -4.801 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.893 1.480 -6.215 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.726 0.128 -5.413 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.355 -2.913 -4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.458 -1.149 -3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.653 -1.994 -4.998 1.00 0.00 H new ATOM 604 N PHE A 36 -1.963 -1.999 -8.636 1.00 0.00 N ATOM 605 CA PHE A 36 -1.263 -2.991 -9.435 1.00 0.00 C ATOM 606 C PHE A 36 -1.417 -2.701 -10.929 1.00 0.00 C ATOM 607 O PHE A 36 -2.520 -2.777 -11.469 1.00 0.00 O ATOM 608 CB PHE A 36 -1.900 -4.347 -9.122 1.00 0.00 C ATOM 609 CG PHE A 36 -1.742 -4.787 -7.665 1.00 0.00 C ATOM 610 CD1 PHE A 36 -0.500 -4.951 -7.135 1.00 0.00 C ATOM 611 CD2 PHE A 36 -2.843 -5.015 -6.900 1.00 0.00 C ATOM 612 CE1 PHE A 36 -0.353 -5.360 -5.783 1.00 0.00 C ATOM 613 CE2 PHE A 36 -2.696 -5.424 -5.548 1.00 0.00 C ATOM 614 CZ PHE A 36 -1.455 -5.588 -5.018 1.00 0.00 C ATOM 0 H PHE A 36 -1.379 -1.505 -7.961 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.199 -2.976 -9.198 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.962 -4.303 -9.364 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.456 -5.103 -9.769 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.374 -4.770 -7.742 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.829 -4.885 -7.321 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.633 -5.490 -5.362 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.571 -5.605 -4.941 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.344 -5.899 -3.990 1.00 0.00 H new ATOM 624 N GLY A 37 -0.296 -2.375 -11.555 1.00 0.00 N ATOM 625 CA GLY A 37 -0.293 -2.073 -12.976 1.00 0.00 C ATOM 626 C GLY A 37 0.055 -0.604 -13.224 1.00 0.00 C ATOM 627 O GLY A 37 0.677 -0.270 -14.231 1.00 0.00 O ATOM 0 H GLY A 37 0.617 -2.313 -11.104 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.428 -2.712 -13.486 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.272 -2.295 -13.401 1.00 0.00 H new ATOM 631 N ARG A 38 -0.362 0.236 -12.287 1.00 0.00 N ATOM 632 CA ARG A 38 -0.103 1.662 -12.391 1.00 0.00 C ATOM 633 C ARG A 38 1.223 2.011 -11.712 1.00 0.00 C ATOM 634 O ARG A 38 1.818 1.173 -11.036 1.00 0.00 O ATOM 635 CB ARG A 38 -1.228 2.475 -11.747 1.00 0.00 C ATOM 636 CG ARG A 38 -2.276 2.879 -12.786 1.00 0.00 C ATOM 637 CD ARG A 38 -1.776 4.041 -13.646 1.00 0.00 C ATOM 638 NE ARG A 38 -2.656 4.215 -14.823 1.00 0.00 N ATOM 639 CZ ARG A 38 -2.276 4.806 -15.964 1.00 0.00 C ATOM 640 NH1 ARG A 38 -1.030 5.283 -16.089 1.00 0.00 N ATOM 641 NH2 ARG A 38 -3.142 4.919 -16.980 1.00 0.00 N ATOM 0 H ARG A 38 -0.877 -0.044 -11.453 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.050 1.913 -13.450 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.700 1.889 -10.958 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.814 3.367 -11.277 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.510 2.026 -13.422 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.200 3.165 -12.284 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.757 4.958 -13.057 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.753 3.850 -13.971 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.611 3.863 -14.762 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.371 5.196 -15.316 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.741 5.733 -16.958 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.090 4.555 -16.885 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.853 5.369 -17.849 1.00 0.00 H new ATOM 655 N HIS A 39 1.647 3.250 -11.915 1.00 0.00 N ATOM 656 CA HIS A 39 2.891 3.720 -11.331 1.00 0.00 C ATOM 657 C HIS A 39 2.600 4.433 -10.008 1.00 0.00 C ATOM 658 O HIS A 39 1.514 4.980 -9.819 1.00 0.00 O ATOM 659 CB HIS A 39 3.659 4.598 -12.321 1.00 0.00 C ATOM 660 CG HIS A 39 4.846 3.915 -12.955 1.00 0.00 C ATOM 661 ND1 HIS A 39 4.870 3.534 -14.286 1.00 0.00 N ATOM 662 CD2 HIS A 39 6.050 3.549 -12.429 1.00 0.00 C ATOM 663 CE1 HIS A 39 6.039 2.965 -14.537 1.00 0.00 C ATOM 664 NE2 HIS A 39 6.769 2.975 -13.385 1.00 0.00 N ATOM 0 H HIS A 39 1.151 3.942 -12.476 1.00 0.00 H new ATOM 0 HA HIS A 39 3.537 2.870 -11.112 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.977 4.923 -13.107 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.002 5.495 -11.805 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.365 3.701 -11.407 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.358 2.563 -15.487 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.712 2.603 -13.276 1.00 0.00 H new ATOM 672 N SER A 40 3.589 4.404 -9.127 1.00 0.00 N ATOM 673 CA SER A 40 3.453 5.041 -7.828 1.00 0.00 C ATOM 674 C SER A 40 2.678 6.353 -7.967 1.00 0.00 C ATOM 675 O SER A 40 2.915 7.123 -8.896 1.00 0.00 O ATOM 676 CB SER A 40 4.821 5.297 -7.194 1.00 0.00 C ATOM 677 OG SER A 40 5.590 6.234 -7.944 1.00 0.00 O ATOM 0 H SER A 40 4.488 3.949 -9.287 1.00 0.00 H new ATOM 0 HA SER A 40 2.900 4.368 -7.173 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.686 5.669 -6.178 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.368 4.357 -7.119 1.00 0.00 H new ATOM 0 HG SER A 40 5.799 7.010 -7.383 1.00 0.00 H new ATOM 683 N GLY A 41 1.767 6.567 -7.029 1.00 0.00 N ATOM 684 CA GLY A 41 0.956 7.772 -7.035 1.00 0.00 C ATOM 685 C GLY A 41 -0.240 7.624 -7.978 1.00 0.00 C ATOM 686 O GLY A 41 -0.138 7.921 -9.167 1.00 0.00 O ATOM 0 H GLY A 41 1.573 5.926 -6.260 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.604 7.982 -6.025 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.564 8.622 -7.344 1.00 0.00 H new ATOM 690 N GLN A 42 -1.346 7.164 -7.412 1.00 0.00 N ATOM 691 CA GLN A 42 -2.560 6.972 -8.187 1.00 0.00 C ATOM 692 C GLN A 42 -3.667 7.898 -7.678 1.00 0.00 C ATOM 693 O GLN A 42 -4.850 7.588 -7.810 1.00 0.00 O ATOM 694 CB GLN A 42 -3.008 5.510 -8.151 1.00 0.00 C ATOM 695 CG GLN A 42 -2.071 4.628 -8.979 1.00 0.00 C ATOM 696 CD GLN A 42 -2.642 3.217 -9.136 1.00 0.00 C ATOM 697 OE1 GLN A 42 -3.744 3.016 -9.620 1.00 0.00 O ATOM 698 NE2 GLN A 42 -1.833 2.255 -8.702 1.00 0.00 N ATOM 0 H GLN A 42 -1.427 6.919 -6.425 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.349 7.227 -9.225 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.028 5.157 -7.120 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.025 5.428 -8.536 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.920 5.074 -9.962 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.094 4.577 -8.498 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.923 2.493 -8.307 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.122 1.279 -8.764 1.00 0.00 H new ATOM 707 N ALA A 43 -3.243 9.016 -7.107 1.00 0.00 N ATOM 708 CA ALA A 43 -4.183 9.989 -6.577 1.00 0.00 C ATOM 709 C ALA A 43 -3.501 11.355 -6.489 1.00 0.00 C ATOM 710 O ALA A 43 -2.398 11.469 -5.956 1.00 0.00 O ATOM 711 CB ALA A 43 -4.706 9.509 -5.222 1.00 0.00 C ATOM 0 H ALA A 43 -2.261 9.270 -7.000 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.043 10.092 -7.239 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.411 10.239 -4.825 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.208 8.549 -5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.872 9.396 -4.529 1.00 0.00 H new ATOM 717 N GLU A 44 -4.186 12.358 -7.018 1.00 0.00 N ATOM 718 CA GLU A 44 -3.660 13.713 -7.006 1.00 0.00 C ATOM 719 C GLU A 44 -4.225 14.491 -5.816 1.00 0.00 C ATOM 720 O GLU A 44 -3.497 15.218 -5.143 1.00 0.00 O ATOM 721 CB GLU A 44 -3.961 14.430 -8.323 1.00 0.00 C ATOM 722 CG GLU A 44 -2.846 14.194 -9.344 1.00 0.00 C ATOM 723 CD GLU A 44 -1.994 15.452 -9.526 1.00 0.00 C ATOM 724 OE1 GLU A 44 -2.578 16.553 -9.422 1.00 0.00 O ATOM 725 OE2 GLU A 44 -0.779 15.285 -9.766 1.00 0.00 O ATOM 0 H GLU A 44 -5.101 12.260 -7.458 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.577 13.660 -6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.909 14.074 -8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.073 15.499 -8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.216 13.368 -9.015 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.280 13.903 -10.301 1.00 0.00 H new ATOM 732 N GLY A 45 -5.519 14.310 -5.592 1.00 0.00 N ATOM 733 CA GLY A 45 -6.190 14.986 -4.495 1.00 0.00 C ATOM 734 C GLY A 45 -5.391 14.852 -3.197 1.00 0.00 C ATOM 735 O GLY A 45 -5.189 15.834 -2.484 1.00 0.00 O ATOM 0 H GLY A 45 -6.120 13.705 -6.152 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.321 16.040 -4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.186 14.565 -4.358 1.00 0.00 H new ATOM 739 N TYR A 46 -4.959 13.628 -2.930 1.00 0.00 N ATOM 740 CA TYR A 46 -4.186 13.353 -1.731 1.00 0.00 C ATOM 741 C TYR A 46 -2.775 13.932 -1.843 1.00 0.00 C ATOM 742 O TYR A 46 -2.088 13.715 -2.840 1.00 0.00 O ATOM 743 CB TYR A 46 -4.094 11.829 -1.630 1.00 0.00 C ATOM 744 CG TYR A 46 -3.746 11.318 -0.230 1.00 0.00 C ATOM 745 CD1 TYR A 46 -2.630 11.800 0.423 1.00 0.00 C ATOM 746 CD2 TYR A 46 -4.549 10.376 0.380 1.00 0.00 C ATOM 747 CE1 TYR A 46 -2.303 11.319 1.740 1.00 0.00 C ATOM 748 CE2 TYR A 46 -4.222 9.895 1.697 1.00 0.00 C ATOM 749 CZ TYR A 46 -3.115 10.390 2.312 1.00 0.00 C ATOM 750 OH TYR A 46 -2.806 9.936 3.557 1.00 0.00 O ATOM 0 H TYR A 46 -5.130 12.816 -3.523 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.659 13.802 -0.858 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.046 11.397 -1.937 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.341 11.473 -2.333 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.002 12.538 -0.054 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.423 9.999 -0.131 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.432 11.688 2.262 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.842 9.158 2.185 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.111 9.249 3.491 1.00 0.00 H new ATOM 760 N SER A 47 -2.383 14.656 -0.805 1.00 0.00 N ATOM 761 CA SER A 47 -1.065 15.268 -0.774 1.00 0.00 C ATOM 762 C SER A 47 -0.001 14.205 -0.490 1.00 0.00 C ATOM 763 O SER A 47 0.034 13.633 0.598 1.00 0.00 O ATOM 764 CB SER A 47 -0.998 16.380 0.275 1.00 0.00 C ATOM 765 OG SER A 47 -1.076 15.867 1.602 1.00 0.00 O ATOM 0 H SER A 47 -2.955 14.833 0.021 1.00 0.00 H new ATOM 0 HA SER A 47 -0.872 15.714 -1.750 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.068 16.936 0.155 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.814 17.084 0.110 1.00 0.00 H new ATOM 0 HG SER A 47 -0.963 14.894 1.584 1.00 0.00 H new ATOM 771 N TYR A 48 0.839 13.973 -1.488 1.00 0.00 N ATOM 772 CA TYR A 48 1.901 12.990 -1.359 1.00 0.00 C ATOM 773 C TYR A 48 3.186 13.636 -0.839 1.00 0.00 C ATOM 774 O TYR A 48 3.245 14.851 -0.656 1.00 0.00 O ATOM 775 CB TYR A 48 2.149 12.450 -2.769 1.00 0.00 C ATOM 776 CG TYR A 48 1.302 11.227 -3.125 1.00 0.00 C ATOM 777 CD1 TYR A 48 -0.070 11.273 -2.987 1.00 0.00 C ATOM 778 CD2 TYR A 48 1.911 10.077 -3.585 1.00 0.00 C ATOM 779 CE1 TYR A 48 -0.867 10.122 -3.322 1.00 0.00 C ATOM 780 CE2 TYR A 48 1.114 8.925 -3.921 1.00 0.00 C ATOM 781 CZ TYR A 48 -0.235 9.004 -3.773 1.00 0.00 C ATOM 782 OH TYR A 48 -0.988 7.917 -4.089 1.00 0.00 O ATOM 0 H TYR A 48 0.806 14.449 -2.390 1.00 0.00 H new ATOM 0 HA TYR A 48 1.616 12.207 -0.656 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.947 13.241 -3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.203 12.190 -2.867 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.546 12.173 -2.627 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.985 10.041 -3.693 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.942 10.145 -3.218 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.578 8.019 -4.282 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.620 8.152 -4.801 1.00 0.00 H new ATOM 792 N THR A 49 4.185 12.794 -0.615 1.00 0.00 N ATOM 793 CA THR A 49 5.466 13.267 -0.119 1.00 0.00 C ATOM 794 C THR A 49 6.520 13.210 -1.227 1.00 0.00 C ATOM 795 O THR A 49 6.192 12.981 -2.390 1.00 0.00 O ATOM 796 CB THR A 49 5.833 12.437 1.112 1.00 0.00 C ATOM 797 OG1 THR A 49 5.690 11.088 0.677 1.00 0.00 O ATOM 798 CG2 THR A 49 4.806 12.575 2.238 1.00 0.00 C ATOM 0 H THR A 49 4.133 11.787 -0.768 1.00 0.00 H new ATOM 0 HA THR A 49 5.412 14.313 0.182 1.00 0.00 H new ATOM 0 HB THR A 49 6.814 12.742 1.475 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.911 10.481 1.414 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.114 11.966 3.088 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.740 13.619 2.544 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.831 12.238 1.885 1.00 0.00 H new ATOM 806 N ASP A 50 7.765 13.422 -0.826 1.00 0.00 N ATOM 807 CA ASP A 50 8.870 13.397 -1.770 1.00 0.00 C ATOM 808 C ASP A 50 9.579 12.044 -1.683 1.00 0.00 C ATOM 809 O ASP A 50 10.748 11.927 -2.047 1.00 0.00 O ATOM 810 CB ASP A 50 9.893 14.488 -1.449 1.00 0.00 C ATOM 811 CG ASP A 50 10.036 15.574 -2.517 1.00 0.00 C ATOM 812 OD1 ASP A 50 9.009 15.875 -3.162 1.00 0.00 O ATOM 813 OD2 ASP A 50 11.170 16.079 -2.665 1.00 0.00 O ATOM 0 H ASP A 50 8.033 13.612 0.140 1.00 0.00 H new ATOM 0 HA ASP A 50 8.465 13.565 -2.768 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.615 14.960 -0.507 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.865 14.020 -1.296 1.00 0.00 H new ATOM 818 N ALA A 51 8.842 11.056 -1.197 1.00 0.00 N ATOM 819 CA ALA A 51 9.386 9.715 -1.058 1.00 0.00 C ATOM 820 C ALA A 51 8.662 8.773 -2.022 1.00 0.00 C ATOM 821 O ALA A 51 9.301 8.051 -2.786 1.00 0.00 O ATOM 822 CB ALA A 51 9.264 9.264 0.399 1.00 0.00 C ATOM 0 H ALA A 51 7.873 11.157 -0.895 1.00 0.00 H new ATOM 0 HA ALA A 51 10.445 9.701 -1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.672 8.259 0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.819 9.949 1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.214 9.262 0.693 1.00 0.00 H new ATOM 828 N ASN A 52 7.340 8.811 -1.956 1.00 0.00 N ATOM 829 CA ASN A 52 6.523 7.970 -2.813 1.00 0.00 C ATOM 830 C ASN A 52 6.750 8.364 -4.274 1.00 0.00 C ATOM 831 O ASN A 52 7.492 7.696 -4.993 1.00 0.00 O ATOM 832 CB ASN A 52 5.035 8.146 -2.502 1.00 0.00 C ATOM 833 CG ASN A 52 4.168 7.490 -3.579 1.00 0.00 C ATOM 834 OD1 ASN A 52 4.130 7.912 -4.723 1.00 0.00 O ATOM 835 ND2 ASN A 52 3.477 6.438 -3.150 1.00 0.00 N ATOM 0 H ASN A 52 6.814 9.412 -1.322 1.00 0.00 H new ATOM 0 HA ASN A 52 6.808 6.933 -2.637 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.809 7.707 -1.530 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.797 9.208 -2.435 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.869 5.931 -3.793 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.555 6.138 -2.178 1.00 0.00 H new ATOM 842 N ILE A 53 6.099 9.448 -4.669 1.00 0.00 N ATOM 843 CA ILE A 53 6.221 9.940 -6.031 1.00 0.00 C ATOM 844 C ILE A 53 7.673 9.796 -6.492 1.00 0.00 C ATOM 845 O ILE A 53 7.933 9.544 -7.668 1.00 0.00 O ATOM 846 CB ILE A 53 5.681 11.367 -6.136 1.00 0.00 C ATOM 847 CG1 ILE A 53 4.153 11.371 -6.208 1.00 0.00 C ATOM 848 CG2 ILE A 53 6.313 12.107 -7.317 1.00 0.00 C ATOM 849 CD1 ILE A 53 3.600 12.789 -6.049 1.00 0.00 C ATOM 0 H ILE A 53 5.485 10.000 -4.070 1.00 0.00 H new ATOM 0 HA ILE A 53 5.610 9.343 -6.708 1.00 0.00 H new ATOM 0 HB ILE A 53 5.962 11.906 -5.231 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.829 10.956 -7.162 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.747 10.729 -5.427 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.912 13.119 -7.369 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.394 12.152 -7.182 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.084 11.578 -8.242 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.512 12.763 -6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.905 13.192 -5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.989 13.423 -6.846 1.00 0.00 H new ATOM 861 N LYS A 54 8.581 9.962 -5.542 1.00 0.00 N ATOM 862 CA LYS A 54 10.000 9.854 -5.836 1.00 0.00 C ATOM 863 C LYS A 54 10.426 8.387 -5.743 1.00 0.00 C ATOM 864 O LYS A 54 11.442 8.070 -5.127 1.00 0.00 O ATOM 865 CB LYS A 54 10.808 10.787 -4.932 1.00 0.00 C ATOM 866 CG LYS A 54 10.336 12.235 -5.077 1.00 0.00 C ATOM 867 CD LYS A 54 11.051 12.932 -6.236 1.00 0.00 C ATOM 868 CE LYS A 54 10.764 14.434 -6.234 1.00 0.00 C ATOM 869 NZ LYS A 54 11.847 15.169 -5.542 1.00 0.00 N ATOM 0 H LYS A 54 8.362 10.171 -4.568 1.00 0.00 H new ATOM 0 HA LYS A 54 10.203 10.182 -6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.708 10.470 -3.894 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.866 10.718 -5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.259 12.255 -5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.524 12.777 -4.150 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.125 12.763 -6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.727 12.498 -7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.670 14.793 -7.259 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.812 14.627 -5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.541 15.412 -4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.697 14.572 -5.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.065 16.041 -6.066 1.00 0.00 H new ATOM 883 N LYS A 55 9.627 7.532 -6.364 1.00 0.00 N ATOM 884 CA LYS A 55 9.908 6.107 -6.359 1.00 0.00 C ATOM 885 C LYS A 55 9.591 5.524 -7.738 1.00 0.00 C ATOM 886 O LYS A 55 10.426 4.846 -8.335 1.00 0.00 O ATOM 887 CB LYS A 55 9.162 5.418 -5.214 1.00 0.00 C ATOM 888 CG LYS A 55 9.990 4.269 -4.633 1.00 0.00 C ATOM 889 CD LYS A 55 10.278 3.208 -5.697 1.00 0.00 C ATOM 890 CE LYS A 55 11.736 3.273 -6.156 1.00 0.00 C ATOM 891 NZ LYS A 55 11.877 2.706 -7.516 1.00 0.00 N ATOM 0 H LYS A 55 8.785 7.799 -6.874 1.00 0.00 H new ATOM 0 HA LYS A 55 10.967 5.928 -6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.940 6.143 -4.431 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.207 5.037 -5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.929 4.656 -4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.455 3.816 -3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.063 2.218 -5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.617 3.356 -6.551 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.080 4.307 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.368 2.723 -5.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.880 2.711 -7.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.521 1.729 -7.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.330 3.279 -8.189 1.00 0.00 H new ATOM 905 N ASN A 56 8.384 5.809 -8.202 1.00 0.00 N ATOM 906 CA ASN A 56 7.947 5.321 -9.499 1.00 0.00 C ATOM 907 C ASN A 56 8.087 3.798 -9.541 1.00 0.00 C ATOM 908 O ASN A 56 9.092 3.276 -10.020 1.00 0.00 O ATOM 909 CB ASN A 56 8.804 5.905 -10.624 1.00 0.00 C ATOM 910 CG ASN A 56 8.001 6.021 -11.922 1.00 0.00 C ATOM 911 OD1 ASN A 56 8.260 5.348 -12.905 1.00 0.00 O ATOM 912 ND2 ASN A 56 7.013 6.911 -11.869 1.00 0.00 N ATOM 0 H ASN A 56 7.695 6.372 -7.703 1.00 0.00 H new ATOM 0 HA ASN A 56 6.909 5.624 -9.641 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.173 6.888 -10.332 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.676 5.272 -10.787 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.419 7.062 -12.684 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.850 7.442 -11.013 1.00 0.00 H new ATOM 919 N VAL A 57 7.063 3.128 -9.031 1.00 0.00 N ATOM 920 CA VAL A 57 7.059 1.675 -9.004 1.00 0.00 C ATOM 921 C VAL A 57 5.754 1.161 -9.614 1.00 0.00 C ATOM 922 O VAL A 57 4.708 1.191 -8.968 1.00 0.00 O ATOM 923 CB VAL A 57 7.287 1.178 -7.575 1.00 0.00 C ATOM 924 CG1 VAL A 57 8.706 0.632 -7.404 1.00 0.00 C ATOM 925 CG2 VAL A 57 6.999 2.284 -6.557 1.00 0.00 C ATOM 0 H VAL A 57 6.231 3.565 -8.634 1.00 0.00 H new ATOM 0 HA VAL A 57 7.877 1.280 -9.606 1.00 0.00 H new ATOM 0 HB VAL A 57 6.589 0.362 -7.389 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.842 0.285 -6.379 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.861 -0.199 -8.092 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.428 1.420 -7.619 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.169 1.904 -5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.661 3.130 -6.742 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.962 2.606 -6.653 1.00 0.00 H new ATOM 935 N LEU A 58 5.858 0.702 -10.853 1.00 0.00 N ATOM 936 CA LEU A 58 4.699 0.183 -11.558 1.00 0.00 C ATOM 937 C LEU A 58 4.164 -1.044 -10.816 1.00 0.00 C ATOM 938 O LEU A 58 4.431 -2.178 -11.211 1.00 0.00 O ATOM 939 CB LEU A 58 5.040 -0.086 -13.025 1.00 0.00 C ATOM 940 CG LEU A 58 3.849 -0.265 -13.969 1.00 0.00 C ATOM 941 CD1 LEU A 58 3.569 1.022 -14.748 1.00 0.00 C ATOM 942 CD2 LEU A 58 4.061 -1.462 -14.897 1.00 0.00 C ATOM 0 H LEU A 58 6.727 0.679 -11.386 1.00 0.00 H new ATOM 0 HA LEU A 58 3.898 0.923 -11.572 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.649 0.740 -13.393 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.656 -0.984 -13.075 1.00 0.00 H new ATOM 0 HG LEU A 58 2.965 -0.476 -13.368 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.718 0.868 -15.412 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.343 1.828 -14.050 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.446 1.288 -15.338 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.200 -1.567 -15.558 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.959 -1.305 -15.494 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.174 -2.368 -14.302 1.00 0.00 H new ATOM 954 N TRP A 59 3.418 -0.775 -9.755 1.00 0.00 N ATOM 955 CA TRP A 59 2.843 -1.843 -8.954 1.00 0.00 C ATOM 956 C TRP A 59 2.490 -2.999 -9.892 1.00 0.00 C ATOM 957 O TRP A 59 2.115 -2.777 -11.043 1.00 0.00 O ATOM 958 CB TRP A 59 1.644 -1.339 -8.148 1.00 0.00 C ATOM 959 CG TRP A 59 1.931 -0.081 -7.327 1.00 0.00 C ATOM 960 CD1 TRP A 59 1.398 1.140 -7.474 1.00 0.00 C ATOM 961 CD2 TRP A 59 2.848 0.032 -6.218 1.00 0.00 C ATOM 962 NE1 TRP A 59 1.901 2.027 -6.545 1.00 0.00 N ATOM 963 CE2 TRP A 59 2.811 1.332 -5.757 1.00 0.00 C ATOM 964 CE3 TRP A 59 3.680 -0.933 -5.624 1.00 0.00 C ATOM 965 CZ2 TRP A 59 3.584 1.786 -4.682 1.00 0.00 C ATOM 966 CZ3 TRP A 59 4.447 -0.463 -4.551 1.00 0.00 C ATOM 967 CH2 TRP A 59 4.421 0.842 -4.074 1.00 0.00 C ATOM 0 H TRP A 59 3.198 0.167 -9.431 1.00 0.00 H new ATOM 0 HA TRP A 59 3.560 -2.201 -8.215 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.820 -1.134 -8.831 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.312 -2.131 -7.477 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.666 1.397 -8.226 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.651 3.012 -6.453 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.724 -1.956 -5.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.537 2.809 -4.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 5.105 -1.164 -4.059 1.00 0.00 H new ATOM 0 HH2 TRP A 59 5.043 1.127 -3.238 1.00 0.00 H new ATOM 978 N ASP A 60 2.621 -4.208 -9.366 1.00 0.00 N ATOM 979 CA ASP A 60 2.320 -5.399 -10.141 1.00 0.00 C ATOM 980 C ASP A 60 1.643 -6.432 -9.239 1.00 0.00 C ATOM 981 O ASP A 60 0.462 -6.729 -9.408 1.00 0.00 O ATOM 982 CB ASP A 60 3.597 -6.027 -10.704 1.00 0.00 C ATOM 983 CG ASP A 60 3.377 -7.250 -11.596 1.00 0.00 C ATOM 984 OD1 ASP A 60 2.195 -7.546 -11.872 1.00 0.00 O ATOM 985 OD2 ASP A 60 4.397 -7.862 -11.982 1.00 0.00 O ATOM 0 H ASP A 60 2.932 -4.388 -8.411 1.00 0.00 H new ATOM 0 HA ASP A 60 1.667 -5.109 -10.964 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.134 -5.271 -11.276 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.240 -6.314 -9.872 1.00 0.00 H new ATOM 990 N GLU A 61 2.421 -6.952 -8.301 1.00 0.00 N ATOM 991 CA GLU A 61 1.911 -7.946 -7.372 1.00 0.00 C ATOM 992 C GLU A 61 2.989 -8.323 -6.354 1.00 0.00 C ATOM 993 O GLU A 61 2.787 -8.182 -5.149 1.00 0.00 O ATOM 994 CB GLU A 61 1.403 -9.182 -8.116 1.00 0.00 C ATOM 995 CG GLU A 61 1.034 -10.298 -7.137 1.00 0.00 C ATOM 996 CD GLU A 61 1.884 -11.547 -7.383 1.00 0.00 C ATOM 997 OE1 GLU A 61 1.479 -12.346 -8.255 1.00 0.00 O ATOM 998 OE2 GLU A 61 2.919 -11.674 -6.694 1.00 0.00 O ATOM 0 H GLU A 61 3.401 -6.704 -8.164 1.00 0.00 H new ATOM 0 HA GLU A 61 1.067 -7.514 -6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.532 -8.917 -8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.169 -9.537 -8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.178 -9.951 -6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.022 -10.546 -7.244 1.00 0.00 H new ATOM 1005 N ASN A 62 4.112 -8.796 -6.876 1.00 0.00 N ATOM 1006 CA ASN A 62 5.222 -9.195 -6.027 1.00 0.00 C ATOM 1007 C ASN A 62 5.973 -7.947 -5.558 1.00 0.00 C ATOM 1008 O ASN A 62 6.291 -7.817 -4.377 1.00 0.00 O ATOM 1009 CB ASN A 62 6.208 -10.081 -6.791 1.00 0.00 C ATOM 1010 CG ASN A 62 7.598 -10.029 -6.155 1.00 0.00 C ATOM 1011 OD1 ASN A 62 7.912 -10.753 -5.225 1.00 0.00 O ATOM 1012 ND2 ASN A 62 8.412 -9.133 -6.707 1.00 0.00 N ATOM 0 H ASN A 62 4.277 -8.912 -7.876 1.00 0.00 H new ATOM 0 HA ASN A 62 4.818 -9.751 -5.181 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.847 -11.109 -6.800 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.267 -9.754 -7.829 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.362 -9.021 -6.353 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.086 -8.558 -7.484 1.00 0.00 H new ATOM 1019 N ASN A 63 6.235 -7.061 -6.508 1.00 0.00 N ATOM 1020 CA ASN A 63 6.943 -5.828 -6.206 1.00 0.00 C ATOM 1021 C ASN A 63 6.369 -5.215 -4.927 1.00 0.00 C ATOM 1022 O ASN A 63 7.102 -4.967 -3.971 1.00 0.00 O ATOM 1023 CB ASN A 63 6.778 -4.808 -7.335 1.00 0.00 C ATOM 1024 CG ASN A 63 7.236 -3.418 -6.889 1.00 0.00 C ATOM 1025 OD1 ASN A 63 8.320 -3.234 -6.361 1.00 0.00 O ATOM 1026 ND2 ASN A 63 6.352 -2.454 -7.130 1.00 0.00 N ATOM 0 H ASN A 63 5.970 -7.172 -7.487 1.00 0.00 H new ATOM 0 HA ASN A 63 8.000 -6.066 -6.087 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.356 -5.124 -8.203 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.734 -4.769 -7.645 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.564 -1.491 -6.869 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.462 -2.678 -7.576 1.00 0.00 H new ATOM 1033 N MET A 64 5.064 -4.989 -4.951 1.00 0.00 N ATOM 1034 CA MET A 64 4.383 -4.410 -3.806 1.00 0.00 C ATOM 1035 C MET A 64 4.705 -5.186 -2.527 1.00 0.00 C ATOM 1036 O MET A 64 5.067 -4.593 -1.512 1.00 0.00 O ATOM 1037 CB MET A 64 2.873 -4.427 -4.047 1.00 0.00 C ATOM 1038 CG MET A 64 2.136 -3.632 -2.966 1.00 0.00 C ATOM 1039 SD MET A 64 1.856 -1.959 -3.523 1.00 0.00 S ATOM 1040 CE MET A 64 0.482 -2.227 -4.631 1.00 0.00 C ATOM 0 H MET A 64 4.460 -5.197 -5.746 1.00 0.00 H new ATOM 0 HA MET A 64 4.728 -3.383 -3.683 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.653 -4.005 -5.028 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.514 -5.456 -4.055 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.185 -4.111 -2.735 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.721 -3.625 -2.046 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.132 -1.269 -5.015 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.802 -2.856 -5.462 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.328 -2.720 -4.094 1.00 0.00 H new ATOM 1050 N SER A 65 4.562 -6.500 -2.618 1.00 0.00 N ATOM 1051 CA SER A 65 4.833 -7.363 -1.481 1.00 0.00 C ATOM 1052 C SER A 65 6.127 -6.928 -0.791 1.00 0.00 C ATOM 1053 O SER A 65 6.192 -6.874 0.436 1.00 0.00 O ATOM 1054 CB SER A 65 4.927 -8.828 -1.912 1.00 0.00 C ATOM 1055 OG SER A 65 6.228 -9.161 -2.390 1.00 0.00 O ATOM 0 H SER A 65 4.262 -6.988 -3.462 1.00 0.00 H new ATOM 0 HA SER A 65 4.006 -7.272 -0.777 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.675 -9.471 -1.069 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.192 -9.024 -2.693 1.00 0.00 H new ATOM 0 HG SER A 65 6.290 -8.949 -3.345 1.00 0.00 H new ATOM 1061 N GLU A 66 7.125 -6.629 -1.609 1.00 0.00 N ATOM 1062 CA GLU A 66 8.413 -6.200 -1.092 1.00 0.00 C ATOM 1063 C GLU A 66 8.258 -4.914 -0.278 1.00 0.00 C ATOM 1064 O GLU A 66 8.694 -4.846 0.870 1.00 0.00 O ATOM 1065 CB GLU A 66 9.424 -6.013 -2.226 1.00 0.00 C ATOM 1066 CG GLU A 66 10.858 -6.132 -1.707 1.00 0.00 C ATOM 1067 CD GLU A 66 11.865 -6.072 -2.858 1.00 0.00 C ATOM 1068 OE1 GLU A 66 11.614 -5.277 -3.789 1.00 0.00 O ATOM 1069 OE2 GLU A 66 12.862 -6.822 -2.780 1.00 0.00 O ATOM 0 H GLU A 66 7.068 -6.675 -2.626 1.00 0.00 H new ATOM 0 HA GLU A 66 8.795 -6.979 -0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.250 -6.761 -3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.281 -5.036 -2.688 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.060 -5.328 -1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.976 -7.070 -1.165 1.00 0.00 H new ATOM 1076 N TYR A 67 7.635 -3.927 -0.905 1.00 0.00 N ATOM 1077 CA TYR A 67 7.416 -2.647 -0.253 1.00 0.00 C ATOM 1078 C TYR A 67 6.724 -2.832 1.099 1.00 0.00 C ATOM 1079 O TYR A 67 7.229 -2.381 2.126 1.00 0.00 O ATOM 1080 CB TYR A 67 6.494 -1.853 -1.180 1.00 0.00 C ATOM 1081 CG TYR A 67 6.017 -0.523 -0.594 1.00 0.00 C ATOM 1082 CD1 TYR A 67 6.860 0.220 0.208 1.00 0.00 C ATOM 1083 CD2 TYR A 67 4.743 -0.066 -0.866 1.00 0.00 C ATOM 1084 CE1 TYR A 67 6.410 1.472 0.759 1.00 0.00 C ATOM 1085 CE2 TYR A 67 4.294 1.186 -0.315 1.00 0.00 C ATOM 1086 CZ TYR A 67 5.150 1.893 0.471 1.00 0.00 C ATOM 1087 OH TYR A 67 4.725 3.075 0.992 1.00 0.00 O ATOM 0 H TYR A 67 7.275 -3.988 -1.857 1.00 0.00 H new ATOM 0 HA TYR A 67 8.364 -2.141 -0.074 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.017 -1.659 -2.116 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.625 -2.464 -1.421 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.856 -0.138 0.422 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.083 -0.648 -1.492 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.059 2.064 1.387 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.300 1.555 -0.521 1.00 0.00 H new ATOM 0 HH TYR A 67 4.040 2.905 1.672 1.00 0.00 H new ATOM 1097 N LEU A 68 5.577 -3.495 1.056 1.00 0.00 N ATOM 1098 CA LEU A 68 4.811 -3.744 2.264 1.00 0.00 C ATOM 1099 C LEU A 68 5.717 -4.391 3.314 1.00 0.00 C ATOM 1100 O LEU A 68 5.605 -4.095 4.503 1.00 0.00 O ATOM 1101 CB LEU A 68 3.558 -4.563 1.945 1.00 0.00 C ATOM 1102 CG LEU A 68 2.634 -3.984 0.872 1.00 0.00 C ATOM 1103 CD1 LEU A 68 1.778 -5.081 0.235 1.00 0.00 C ATOM 1104 CD2 LEU A 68 1.781 -2.847 1.439 1.00 0.00 C ATOM 0 H LEU A 68 5.160 -3.867 0.203 1.00 0.00 H new ATOM 0 HA LEU A 68 4.452 -2.806 2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.869 -5.559 1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.984 -4.685 2.864 1.00 0.00 H new ATOM 0 HG LEU A 68 3.252 -3.559 0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.130 -4.642 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.426 -5.826 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.167 -5.557 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.133 -2.453 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.170 -3.224 2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.431 -2.053 1.806 1.00 0.00 H new ATOM 1116 N THR A 69 6.594 -5.261 2.836 1.00 0.00 N ATOM 1117 CA THR A 69 7.519 -5.952 3.718 1.00 0.00 C ATOM 1118 C THR A 69 8.390 -4.945 4.472 1.00 0.00 C ATOM 1119 O THR A 69 8.509 -5.015 5.695 1.00 0.00 O ATOM 1120 CB THR A 69 8.326 -6.942 2.876 1.00 0.00 C ATOM 1121 OG1 THR A 69 7.922 -8.220 3.359 1.00 0.00 O ATOM 1122 CG2 THR A 69 9.825 -6.885 3.181 1.00 0.00 C ATOM 0 H THR A 69 6.684 -5.503 1.849 1.00 0.00 H new ATOM 0 HA THR A 69 6.987 -6.514 4.486 1.00 0.00 H new ATOM 0 HB THR A 69 8.163 -6.735 1.818 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.396 -8.921 2.865 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.351 -7.607 2.557 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.201 -5.883 2.973 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.992 -7.124 4.231 1.00 0.00 H new ATOM 1130 N ASN A 70 8.976 -4.032 3.712 1.00 0.00 N ATOM 1131 CA ASN A 70 9.832 -3.012 4.293 1.00 0.00 C ATOM 1132 C ASN A 70 9.595 -1.682 3.574 1.00 0.00 C ATOM 1133 O ASN A 70 10.402 -1.269 2.743 1.00 0.00 O ATOM 1134 CB ASN A 70 11.309 -3.377 4.136 1.00 0.00 C ATOM 1135 CG ASN A 70 11.888 -3.901 5.452 1.00 0.00 C ATOM 1136 OD1 ASN A 70 12.349 -3.153 6.299 1.00 0.00 O ATOM 1137 ND2 ASN A 70 11.838 -5.224 5.576 1.00 0.00 N ATOM 0 H ASN A 70 8.875 -3.977 2.699 1.00 0.00 H new ATOM 0 HA ASN A 70 9.590 -2.934 5.353 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.420 -4.134 3.359 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.871 -2.502 3.811 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.199 -5.671 6.419 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.439 -5.792 4.828 1.00 0.00 H new ATOM 1144 N PRO A 71 8.454 -1.033 3.929 1.00 0.00 N ATOM 1145 CA PRO A 71 8.100 0.242 3.326 1.00 0.00 C ATOM 1146 C PRO A 71 8.961 1.373 3.891 1.00 0.00 C ATOM 1147 O PRO A 71 9.185 2.323 3.162 1.00 0.00 O ATOM 1148 CB PRO A 71 6.619 0.418 3.621 1.00 0.00 C ATOM 1149 CG PRO A 71 6.306 -0.529 4.768 1.00 0.00 C ATOM 1150 CD PRO A 71 7.474 -1.492 4.909 1.00 0.00 C ATOM 0 HA PRO A 71 8.284 0.266 2.252 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.395 1.449 3.894 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.016 0.182 2.744 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.157 0.028 5.693 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.383 -1.074 4.572 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.884 -1.472 5.919 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.167 -2.519 4.711 1.00 0.00 H new HETATM 1158 N M3L A 72 9.376 1.192 5.135 1.00 0.00 N HETATM 1159 CA M3L A 72 10.182 2.206 5.848 1.00 0.00 C HETATM 1160 CB M3L A 72 10.270 1.811 7.335 1.00 0.00 C HETATM 1161 CG M3L A 72 9.498 2.920 8.051 1.00 0.00 C HETATM 1162 CD M3L A 72 9.797 2.961 9.561 1.00 0.00 C HETATM 1163 CE M3L A 72 8.951 4.117 10.129 1.00 0.00 C HETATM 1164 NZ M3L A 72 7.794 3.632 10.896 1.00 0.00 N HETATM 1165 C M3L A 72 11.589 2.416 5.354 1.00 0.00 C HETATM 1166 O M3L A 72 12.140 3.513 5.442 1.00 0.00 O HETATM 1167 CM1 M3L A 72 7.014 2.924 9.852 1.00 0.00 C HETATM 1168 CM2 M3L A 72 8.268 2.707 11.946 1.00 0.00 C HETATM 1169 CM3 M3L A 72 7.037 4.744 11.494 1.00 0.00 C HETATM 0 HM33 M3L A 72 7.685 5.305 12.167 1.00 0.00 H new HETATM 0 HM32 M3L A 72 6.675 5.403 10.705 1.00 0.00 H new HETATM 0 HM31 M3L A 72 6.189 4.348 12.053 1.00 0.00 H new HETATM 0 HM23 M3L A 72 8.782 1.864 11.484 1.00 0.00 H new HETATM 0 HM22 M3L A 72 8.955 3.231 12.610 1.00 0.00 H new HETATM 0 HM21 M3L A 72 7.417 2.342 12.521 1.00 0.00 H new HETATM 0 HM13 M3L A 72 6.742 3.625 9.063 1.00 0.00 H new HETATM 0 HM12 M3L A 72 7.617 2.119 9.431 1.00 0.00 H new HETATM 0 HM11 M3L A 72 6.109 2.506 10.294 1.00 0.00 H new HETATM 0 HG3 M3L A 72 9.753 3.882 7.606 1.00 0.00 H new HETATM 0 HG2 M3L A 72 8.429 2.772 7.899 1.00 0.00 H new HETATM 0 HE3 M3L A 72 9.574 4.741 10.770 1.00 0.00 H new HETATM 0 HE2 M3L A 72 8.604 4.748 9.310 1.00 0.00 H new HETATM 0 HD3 M3L A 72 9.536 2.016 10.037 1.00 0.00 H new HETATM 0 HD2 M3L A 72 10.859 3.127 9.744 1.00 0.00 H new HETATM 0 HB3 M3L A 72 9.826 0.832 7.516 1.00 0.00 H new HETATM 0 HB2 M3L A 72 11.304 1.759 7.675 1.00 0.00 H new HETATM 0 HA M3L A 72 9.660 3.145 5.667 1.00 0.00 H new HETATM 0 H M3L A 72 8.988 0.398 5.645 1.00 0.00 H new ATOM 1189 N LYS A 73 12.111 1.362 4.746 1.00 0.00 N ATOM 1190 CA LYS A 73 13.419 1.431 4.116 1.00 0.00 C ATOM 1191 C LYS A 73 13.247 1.725 2.625 1.00 0.00 C ATOM 1192 O LYS A 73 13.659 2.779 2.144 1.00 0.00 O ATOM 1193 CB LYS A 73 14.221 0.161 4.405 1.00 0.00 C ATOM 1194 CG LYS A 73 15.561 0.179 3.667 1.00 0.00 C ATOM 1195 CD LYS A 73 16.695 -0.292 4.579 1.00 0.00 C ATOM 1196 CE LYS A 73 17.425 0.897 5.207 1.00 0.00 C ATOM 1197 NZ LYS A 73 18.171 1.651 4.174 1.00 0.00 N ATOM 0 H LYS A 73 11.652 0.454 4.676 1.00 0.00 H new ATOM 0 HA LYS A 73 14.002 2.250 4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.394 0.072 5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.646 -0.714 4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.505 -0.464 2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.771 1.188 3.311 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.293 -0.932 5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.400 -0.895 4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.707 1.554 5.698 1.00 0.00 H new ATOM 0 HE3 LYS A 73 18.112 0.545 5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.983 2.130 4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.510 0.995 3.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.544 2.359 3.741 1.00 0.00 H new ATOM 1211 N TYR A 74 12.638 0.773 1.933 1.00 0.00 N ATOM 1212 CA TYR A 74 12.407 0.916 0.506 1.00 0.00 C ATOM 1213 C TYR A 74 12.049 2.360 0.150 1.00 0.00 C ATOM 1214 O TYR A 74 12.635 2.942 -0.761 1.00 0.00 O ATOM 1215 CB TYR A 74 11.216 0.012 0.179 1.00 0.00 C ATOM 1216 CG TYR A 74 10.979 -0.186 -1.320 1.00 0.00 C ATOM 1217 CD1 TYR A 74 12.016 -0.590 -2.135 1.00 0.00 C ATOM 1218 CD2 TYR A 74 9.727 0.039 -1.855 1.00 0.00 C ATOM 1219 CE1 TYR A 74 11.792 -0.777 -3.546 1.00 0.00 C ATOM 1220 CE2 TYR A 74 9.503 -0.147 -3.266 1.00 0.00 C ATOM 1221 CZ TYR A 74 10.547 -0.546 -4.041 1.00 0.00 C ATOM 1222 OH TYR A 74 10.336 -0.722 -5.373 1.00 0.00 O ATOM 0 H TYR A 74 12.298 -0.101 2.335 1.00 0.00 H new ATOM 0 HA TYR A 74 13.302 0.649 -0.056 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.373 -0.961 0.643 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.317 0.437 0.626 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.996 -0.766 -1.716 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.915 0.354 -1.216 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.595 -1.093 -4.196 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.529 0.026 -3.698 1.00 0.00 H new ATOM 0 HH TYR A 74 9.735 -1.484 -5.511 1.00 0.00 H new ATOM 1232 N ILE A 75 11.088 2.897 0.888 1.00 0.00 N ATOM 1233 CA ILE A 75 10.645 4.262 0.662 1.00 0.00 C ATOM 1234 C ILE A 75 10.987 5.114 1.886 1.00 0.00 C ATOM 1235 O ILE A 75 10.200 5.199 2.828 1.00 0.00 O ATOM 1236 CB ILE A 75 9.162 4.289 0.290 1.00 0.00 C ATOM 1237 CG1 ILE A 75 8.880 3.379 -0.908 1.00 0.00 C ATOM 1238 CG2 ILE A 75 8.683 5.722 0.046 1.00 0.00 C ATOM 1239 CD1 ILE A 75 7.376 3.230 -1.142 1.00 0.00 C ATOM 0 H ILE A 75 10.604 2.411 1.643 1.00 0.00 H new ATOM 0 HA ILE A 75 11.171 4.697 -0.187 1.00 0.00 H new ATOM 0 HB ILE A 75 8.592 3.898 1.133 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.351 3.791 -1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.324 2.398 -0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.625 5.712 -0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.827 6.313 0.951 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.256 6.163 -0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.204 2.579 -1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.911 2.796 -0.257 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.939 4.209 -1.337 1.00 0.00 H new ATOM 1251 N PRO A 76 12.194 5.739 1.832 1.00 0.00 N ATOM 1252 CA PRO A 76 12.650 6.581 2.925 1.00 0.00 C ATOM 1253 C PRO A 76 11.916 7.923 2.926 1.00 0.00 C ATOM 1254 O PRO A 76 12.162 8.770 2.069 1.00 0.00 O ATOM 1255 CB PRO A 76 14.148 6.724 2.713 1.00 0.00 C ATOM 1256 CG PRO A 76 14.402 6.347 1.262 1.00 0.00 C ATOM 1257 CD PRO A 76 13.152 5.661 0.734 1.00 0.00 C ATOM 0 HA PRO A 76 12.439 6.150 3.904 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.475 7.744 2.914 1.00 0.00 H new ATOM 0 HB3 PRO A 76 14.702 6.072 3.389 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.629 7.234 0.671 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.263 5.683 1.185 1.00 0.00 H new ATOM 0 HD2 PRO A 76 12.773 6.160 -0.158 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.355 4.626 0.458 1.00 0.00 H new ATOM 1265 N GLY A 77 11.029 8.076 3.899 1.00 0.00 N ATOM 1266 CA GLY A 77 10.257 9.300 4.023 1.00 0.00 C ATOM 1267 C GLY A 77 8.802 9.076 3.605 1.00 0.00 C ATOM 1268 O GLY A 77 8.216 9.909 2.915 1.00 0.00 O ATOM 0 H GLY A 77 10.828 7.372 4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.293 9.654 5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.701 10.079 3.403 1.00 0.00 H new ATOM 1272 N THR A 78 8.262 7.948 4.041 1.00 0.00 N ATOM 1273 CA THR A 78 6.887 7.604 3.721 1.00 0.00 C ATOM 1274 C THR A 78 6.014 7.674 4.975 1.00 0.00 C ATOM 1275 O THR A 78 6.203 6.899 5.911 1.00 0.00 O ATOM 1276 CB THR A 78 6.887 6.226 3.056 1.00 0.00 C ATOM 1277 OG1 THR A 78 5.584 6.114 2.489 1.00 0.00 O ATOM 1278 CG2 THR A 78 6.949 5.085 4.074 1.00 0.00 C ATOM 0 H THR A 78 8.752 7.260 4.613 1.00 0.00 H new ATOM 0 HA THR A 78 6.453 8.318 3.021 1.00 0.00 H new ATOM 0 HB THR A 78 7.735 6.152 2.375 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.498 5.249 2.036 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.946 4.129 3.550 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.861 5.173 4.664 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.083 5.139 4.734 1.00 0.00 H new ATOM 1286 N LYS A 79 5.076 8.610 4.954 1.00 0.00 N ATOM 1287 CA LYS A 79 4.174 8.792 6.077 1.00 0.00 C ATOM 1288 C LYS A 79 3.599 7.434 6.488 1.00 0.00 C ATOM 1289 O LYS A 79 3.186 7.252 7.633 1.00 0.00 O ATOM 1290 CB LYS A 79 3.106 9.836 5.744 1.00 0.00 C ATOM 1291 CG LYS A 79 2.147 10.034 6.920 1.00 0.00 C ATOM 1292 CD LYS A 79 1.856 11.519 7.146 1.00 0.00 C ATOM 1293 CE LYS A 79 0.889 11.716 8.315 1.00 0.00 C ATOM 1294 NZ LYS A 79 1.552 11.391 9.598 1.00 0.00 N ATOM 0 H LYS A 79 4.922 9.251 4.176 1.00 0.00 H new ATOM 0 HA LYS A 79 4.713 9.186 6.939 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.584 10.784 5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.547 9.521 4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.215 9.502 6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.579 9.603 7.823 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.787 12.049 7.346 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.431 11.952 6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.536 12.747 8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.013 11.081 8.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.937 11.673 10.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.731 10.368 9.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.455 11.903 9.662 1.00 0.00 H new ATOM 1308 N MET A 80 3.591 6.517 5.532 1.00 0.00 N ATOM 1309 CA MET A 80 3.073 5.182 5.781 1.00 0.00 C ATOM 1310 C MET A 80 3.826 4.507 6.929 1.00 0.00 C ATOM 1311 O MET A 80 4.828 3.830 6.706 1.00 0.00 O ATOM 1312 CB MET A 80 3.212 4.337 4.513 1.00 0.00 C ATOM 1313 CG MET A 80 2.788 2.889 4.770 1.00 0.00 C ATOM 1314 SD MET A 80 2.452 2.067 3.221 1.00 0.00 S ATOM 1315 CE MET A 80 2.431 0.369 3.770 1.00 0.00 C ATOM 0 H MET A 80 3.935 6.672 4.584 1.00 0.00 H new ATOM 0 HA MET A 80 2.023 5.266 6.060 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.600 4.763 3.718 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.245 4.361 4.167 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.575 2.361 5.308 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.900 2.868 5.402 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.930 -0.248 3.024 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.454 0.017 3.905 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.896 0.299 4.717 1.00 0.00 H new ATOM 1325 N ALA A 81 3.314 4.716 8.133 1.00 0.00 N ATOM 1326 CA ALA A 81 3.925 4.136 9.317 1.00 0.00 C ATOM 1327 C ALA A 81 3.263 2.790 9.620 1.00 0.00 C ATOM 1328 O ALA A 81 2.597 2.638 10.643 1.00 0.00 O ATOM 1329 CB ALA A 81 3.810 5.118 10.484 1.00 0.00 C ATOM 0 H ALA A 81 2.483 5.279 8.314 1.00 0.00 H new ATOM 0 HA ALA A 81 4.986 3.951 9.150 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.268 4.683 11.372 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.321 6.047 10.230 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.759 5.325 10.683 1.00 0.00 H new ATOM 1335 N PHE A 82 3.469 1.848 8.712 1.00 0.00 N ATOM 1336 CA PHE A 82 2.901 0.520 8.870 1.00 0.00 C ATOM 1337 C PHE A 82 3.831 -0.382 9.684 1.00 0.00 C ATOM 1338 O PHE A 82 3.440 -0.901 10.728 1.00 0.00 O ATOM 1339 CB PHE A 82 2.741 -0.068 7.466 1.00 0.00 C ATOM 1340 CG PHE A 82 2.443 -1.569 7.450 1.00 0.00 C ATOM 1341 CD1 PHE A 82 1.474 -2.078 8.257 1.00 0.00 C ATOM 1342 CD2 PHE A 82 3.147 -2.393 6.629 1.00 0.00 C ATOM 1343 CE1 PHE A 82 1.198 -3.471 8.242 1.00 0.00 C ATOM 1344 CE2 PHE A 82 2.871 -3.786 6.614 1.00 0.00 C ATOM 1345 CZ PHE A 82 1.902 -4.295 7.421 1.00 0.00 C ATOM 0 H PHE A 82 4.021 1.978 7.864 1.00 0.00 H new ATOM 0 HA PHE A 82 1.949 0.584 9.396 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.936 0.457 6.953 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.654 0.117 6.900 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.915 -1.423 8.909 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.916 -1.988 5.988 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.429 -3.876 8.883 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.430 -4.441 5.962 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.692 -5.354 7.410 1.00 0.00 H new ATOM 1355 N GLY A 83 5.044 -0.540 9.176 1.00 0.00 N ATOM 1356 CA GLY A 83 6.033 -1.369 9.843 1.00 0.00 C ATOM 1357 C GLY A 83 6.603 -2.420 8.887 1.00 0.00 C ATOM 1358 O GLY A 83 7.762 -2.335 8.485 1.00 0.00 O ATOM 0 H GLY A 83 5.365 -0.108 8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.840 -0.743 10.224 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.579 -1.862 10.703 1.00 0.00 H new ATOM 1362 N GLY A 84 5.760 -3.385 8.550 1.00 0.00 N ATOM 1363 CA GLY A 84 6.165 -4.451 7.649 1.00 0.00 C ATOM 1364 C GLY A 84 6.241 -5.791 8.384 1.00 0.00 C ATOM 1365 O GLY A 84 6.934 -5.911 9.393 1.00 0.00 O ATOM 0 H GLY A 84 4.799 -3.451 8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.456 -4.524 6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.136 -4.215 7.214 1.00 0.00 H new ATOM 1369 N LEU A 85 5.519 -6.765 7.849 1.00 0.00 N ATOM 1370 CA LEU A 85 5.496 -8.091 8.441 1.00 0.00 C ATOM 1371 C LEU A 85 6.642 -8.923 7.863 1.00 0.00 C ATOM 1372 O LEU A 85 7.335 -8.481 6.947 1.00 0.00 O ATOM 1373 CB LEU A 85 4.119 -8.734 8.264 1.00 0.00 C ATOM 1374 CG LEU A 85 2.923 -7.889 8.706 1.00 0.00 C ATOM 1375 CD1 LEU A 85 1.770 -8.005 7.706 1.00 0.00 C ATOM 1376 CD2 LEU A 85 2.488 -8.255 10.126 1.00 0.00 C ATOM 0 H LEU A 85 4.946 -6.662 7.012 1.00 0.00 H new ATOM 0 HA LEU A 85 5.657 -8.030 9.517 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.991 -8.987 7.212 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.103 -9.671 8.821 1.00 0.00 H new ATOM 0 HG LEU A 85 3.231 -6.844 8.723 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.932 -7.395 8.044 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.101 -7.657 6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.455 -9.046 7.634 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.636 -7.640 10.416 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.204 -9.307 10.160 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.313 -8.080 10.816 1.00 0.00 H new ATOM 1388 N LYS A 86 6.807 -10.114 8.420 1.00 0.00 N ATOM 1389 CA LYS A 86 7.857 -11.012 7.970 1.00 0.00 C ATOM 1390 C LYS A 86 7.348 -12.454 8.026 1.00 0.00 C ATOM 1391 O LYS A 86 8.050 -13.345 8.502 1.00 0.00 O ATOM 1392 CB LYS A 86 9.139 -10.781 8.773 1.00 0.00 C ATOM 1393 CG LYS A 86 9.976 -9.657 8.157 1.00 0.00 C ATOM 1394 CD LYS A 86 11.470 -9.905 8.374 1.00 0.00 C ATOM 1395 CE LYS A 86 11.849 -9.723 9.845 1.00 0.00 C ATOM 1396 NZ LYS A 86 13.065 -8.888 9.968 1.00 0.00 N ATOM 0 H LYS A 86 6.231 -10.478 9.179 1.00 0.00 H new ATOM 0 HA LYS A 86 8.116 -10.805 6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.887 -10.529 9.803 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.724 -11.700 8.804 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.767 -9.586 7.090 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.694 -8.703 8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.725 -10.914 8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.049 -9.217 7.758 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.024 -9.256 10.384 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.021 -10.696 10.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.308 -8.775 10.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.854 -9.348 9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.889 -7.954 9.547 1.00 0.00 H new ATOM 1410 N LYS A 87 6.132 -12.638 7.534 1.00 0.00 N ATOM 1411 CA LYS A 87 5.521 -13.956 7.523 1.00 0.00 C ATOM 1412 C LYS A 87 4.920 -14.222 6.141 1.00 0.00 C ATOM 1413 O LYS A 87 3.768 -13.874 5.883 1.00 0.00 O ATOM 1414 CB LYS A 87 4.514 -14.090 8.667 1.00 0.00 C ATOM 1415 CG LYS A 87 5.205 -13.941 10.025 1.00 0.00 C ATOM 1416 CD LYS A 87 6.013 -15.194 10.369 1.00 0.00 C ATOM 1417 CE LYS A 87 5.462 -15.874 11.624 1.00 0.00 C ATOM 1418 NZ LYS A 87 4.644 -17.052 11.258 1.00 0.00 N ATOM 0 H LYS A 87 5.553 -11.896 7.140 1.00 0.00 H new ATOM 0 HA LYS A 87 6.272 -14.726 7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.738 -13.331 8.564 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.020 -15.060 8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.863 -13.072 10.009 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.459 -13.761 10.799 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.985 -15.891 9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.058 -14.926 10.525 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.285 -16.181 12.269 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.858 -15.167 12.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.278 -17.502 12.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.848 -16.750 10.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.231 -17.733 10.735 1.00 0.00 H new ATOM 1432 N GLU A 88 5.726 -14.837 5.288 1.00 0.00 N ATOM 1433 CA GLU A 88 5.289 -15.154 3.940 1.00 0.00 C ATOM 1434 C GLU A 88 3.822 -15.589 3.946 1.00 0.00 C ATOM 1435 O GLU A 88 3.085 -15.314 3.000 1.00 0.00 O ATOM 1436 CB GLU A 88 6.177 -16.231 3.314 1.00 0.00 C ATOM 1437 CG GLU A 88 7.127 -15.625 2.279 1.00 0.00 C ATOM 1438 CD GLU A 88 8.213 -16.626 1.878 1.00 0.00 C ATOM 1439 OE1 GLU A 88 7.897 -17.835 1.877 1.00 0.00 O ATOM 1440 OE2 GLU A 88 9.334 -16.159 1.582 1.00 0.00 O ATOM 0 H GLU A 88 6.680 -15.124 5.505 1.00 0.00 H new ATOM 0 HA GLU A 88 5.379 -14.255 3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.753 -16.730 4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.555 -16.991 2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.563 -15.322 1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.589 -14.726 2.687 1.00 0.00 H new ATOM 1447 N LYS A 89 3.441 -16.260 5.023 1.00 0.00 N ATOM 1448 CA LYS A 89 2.076 -16.735 5.165 1.00 0.00 C ATOM 1449 C LYS A 89 1.108 -15.584 4.887 1.00 0.00 C ATOM 1450 O LYS A 89 0.413 -15.584 3.871 1.00 0.00 O ATOM 1451 CB LYS A 89 1.876 -17.389 6.534 1.00 0.00 C ATOM 1452 CG LYS A 89 3.010 -18.367 6.846 1.00 0.00 C ATOM 1453 CD LYS A 89 2.467 -19.776 7.094 1.00 0.00 C ATOM 1454 CE LYS A 89 3.605 -20.796 7.173 1.00 0.00 C ATOM 1455 NZ LYS A 89 4.111 -21.114 5.819 1.00 0.00 N ATOM 0 H LYS A 89 4.055 -16.486 5.806 1.00 0.00 H new ATOM 0 HA LYS A 89 1.866 -17.513 4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.832 -16.620 7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.922 -17.915 6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.717 -18.387 6.016 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.559 -18.025 7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.895 -19.791 8.022 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.782 -20.052 6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.414 -20.400 7.786 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.253 -21.706 7.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.786 -21.903 5.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.316 -21.383 5.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.588 -20.279 5.422 1.00 0.00 H new ATOM 1469 N ASP A 90 1.093 -14.629 5.806 1.00 0.00 N ATOM 1470 CA ASP A 90 0.222 -13.474 5.672 1.00 0.00 C ATOM 1471 C ASP A 90 0.657 -12.651 4.458 1.00 0.00 C ATOM 1472 O ASP A 90 -0.141 -12.400 3.555 1.00 0.00 O ATOM 1473 CB ASP A 90 0.305 -12.575 6.907 1.00 0.00 C ATOM 1474 CG ASP A 90 -0.819 -12.772 7.926 1.00 0.00 C ATOM 1475 OD1 ASP A 90 -1.857 -13.340 7.524 1.00 0.00 O ATOM 1476 OD2 ASP A 90 -0.615 -12.349 9.085 1.00 0.00 O ATOM 0 H ASP A 90 1.671 -14.632 6.647 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.800 -13.834 5.557 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.260 -12.751 7.403 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.302 -11.535 6.582 1.00 0.00 H new ATOM 1481 N ARG A 91 1.921 -12.254 4.474 1.00 0.00 N ATOM 1482 CA ARG A 91 2.471 -11.464 3.386 1.00 0.00 C ATOM 1483 C ARG A 91 1.925 -11.955 2.044 1.00 0.00 C ATOM 1484 O ARG A 91 1.485 -11.156 1.219 1.00 0.00 O ATOM 1485 CB ARG A 91 3.999 -11.543 3.366 1.00 0.00 C ATOM 1486 CG ARG A 91 4.590 -11.067 4.695 1.00 0.00 C ATOM 1487 CD ARG A 91 6.091 -10.803 4.564 1.00 0.00 C ATOM 1488 NE ARG A 91 6.833 -12.083 4.571 1.00 0.00 N ATOM 1489 CZ ARG A 91 8.169 -12.178 4.625 1.00 0.00 C ATOM 1490 NH1 ARG A 91 8.917 -11.067 4.677 1.00 0.00 N ATOM 1491 NH2 ARG A 91 8.756 -13.382 4.627 1.00 0.00 N ATOM 0 H ARG A 91 2.580 -12.465 5.223 1.00 0.00 H new ATOM 0 HA ARG A 91 2.174 -10.428 3.546 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.311 -12.569 3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.388 -10.932 2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.084 -10.157 5.017 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.415 -11.819 5.465 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.294 -10.261 3.640 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.431 -10.172 5.385 1.00 0.00 H new ATOM 0 HE ARG A 91 6.294 -12.948 4.532 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.470 -10.150 4.675 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.934 -11.138 4.718 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.186 -14.227 4.587 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.773 -13.454 4.668 1.00 0.00 H new ATOM 1505 N ASN A 92 1.970 -13.268 1.868 1.00 0.00 N ATOM 1506 CA ASN A 92 1.485 -13.875 0.640 1.00 0.00 C ATOM 1507 C ASN A 92 -0.035 -13.723 0.567 1.00 0.00 C ATOM 1508 O ASN A 92 -0.565 -13.208 -0.416 1.00 0.00 O ATOM 1509 CB ASN A 92 1.813 -15.369 0.598 1.00 0.00 C ATOM 1510 CG ASN A 92 3.315 -15.596 0.411 1.00 0.00 C ATOM 1511 OD1 ASN A 92 4.006 -14.837 -0.249 1.00 0.00 O ATOM 1512 ND2 ASN A 92 3.779 -16.679 1.027 1.00 0.00 N ATOM 0 H ASN A 92 2.335 -13.928 2.555 1.00 0.00 H new ATOM 0 HA ASN A 92 1.970 -13.375 -0.198 1.00 0.00 H new ATOM 0 HB2 ASN A 92 1.482 -15.844 1.522 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.266 -15.842 -0.217 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.769 -16.917 0.963 1.00 0.00 H new ATOM 0 HD22 ASN A 92 3.145 -17.271 1.563 1.00 0.00 H new ATOM 1519 N ASP A 93 -0.695 -14.181 1.621 1.00 0.00 N ATOM 1520 CA ASP A 93 -2.144 -14.102 1.689 1.00 0.00 C ATOM 1521 C ASP A 93 -2.591 -12.683 1.332 1.00 0.00 C ATOM 1522 O ASP A 93 -3.474 -12.498 0.496 1.00 0.00 O ATOM 1523 CB ASP A 93 -2.648 -14.415 3.099 1.00 0.00 C ATOM 1524 CG ASP A 93 -2.662 -15.900 3.466 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -2.782 -16.716 2.526 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -2.552 -16.187 4.678 1.00 0.00 O ATOM 0 H ASP A 93 -0.253 -14.608 2.435 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.554 -14.831 0.990 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.024 -13.884 3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.659 -14.021 3.203 1.00 0.00 H new ATOM 1531 N LEU A 94 -1.960 -11.717 1.983 1.00 0.00 N ATOM 1532 CA LEU A 94 -2.281 -10.320 1.745 1.00 0.00 C ATOM 1533 C LEU A 94 -2.352 -10.067 0.238 1.00 0.00 C ATOM 1534 O LEU A 94 -3.434 -9.862 -0.311 1.00 0.00 O ATOM 1535 CB LEU A 94 -1.291 -9.410 2.475 1.00 0.00 C ATOM 1536 CG LEU A 94 -1.789 -8.000 2.799 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -3.233 -8.031 3.303 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -0.852 -7.302 3.787 1.00 0.00 C ATOM 0 H LEU A 94 -1.228 -11.874 2.675 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.262 -10.080 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.002 -9.895 3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.390 -9.325 1.867 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.782 -7.415 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.562 -7.016 3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.877 -8.461 2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.290 -8.638 4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.228 -6.302 4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.805 -7.877 4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.145 -7.229 3.353 1.00 0.00 H new ATOM 1550 N ILE A 95 -1.186 -10.090 -0.390 1.00 0.00 N ATOM 1551 CA ILE A 95 -1.102 -9.866 -1.823 1.00 0.00 C ATOM 1552 C ILE A 95 -2.275 -10.566 -2.513 1.00 0.00 C ATOM 1553 O ILE A 95 -2.911 -9.992 -3.396 1.00 0.00 O ATOM 1554 CB ILE A 95 0.268 -10.295 -2.353 1.00 0.00 C ATOM 1555 CG1 ILE A 95 1.393 -9.553 -1.628 1.00 0.00 C ATOM 1556 CG2 ILE A 95 0.349 -10.116 -3.870 1.00 0.00 C ATOM 1557 CD1 ILE A 95 2.470 -10.527 -1.146 1.00 0.00 C ATOM 0 H ILE A 95 -0.291 -10.261 0.068 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.187 -8.803 -2.048 1.00 0.00 H new ATOM 0 HB ILE A 95 0.397 -11.357 -2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.837 -8.816 -2.297 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.984 -9.007 -0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.333 -10.428 -4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.417 -10.725 -4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.190 -9.067 -4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.258 -9.974 -0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.027 -11.248 -0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.893 -11.054 -2.001 1.00 0.00 H new ATOM 1569 N THR A 96 -2.525 -11.794 -2.085 1.00 0.00 N ATOM 1570 CA THR A 96 -3.610 -12.578 -2.651 1.00 0.00 C ATOM 1571 C THR A 96 -4.941 -11.841 -2.488 1.00 0.00 C ATOM 1572 O THR A 96 -5.684 -11.675 -3.453 1.00 0.00 O ATOM 1573 CB THR A 96 -3.593 -13.956 -1.988 1.00 0.00 C ATOM 1574 OG1 THR A 96 -3.168 -14.836 -3.026 1.00 0.00 O ATOM 1575 CG2 THR A 96 -4.996 -14.452 -1.631 1.00 0.00 C ATOM 0 H THR A 96 -1.995 -12.266 -1.353 1.00 0.00 H new ATOM 0 HA THR A 96 -3.480 -12.717 -3.724 1.00 0.00 H new ATOM 0 HB THR A 96 -2.981 -13.917 -1.087 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.947 -15.292 -3.407 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.927 -15.434 -1.163 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.464 -13.752 -0.938 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.598 -14.523 -2.537 1.00 0.00 H new ATOM 1583 N TYR A 97 -5.200 -11.420 -1.259 1.00 0.00 N ATOM 1584 CA TYR A 97 -6.429 -10.705 -0.957 1.00 0.00 C ATOM 1585 C TYR A 97 -6.418 -9.308 -1.580 1.00 0.00 C ATOM 1586 O TYR A 97 -7.400 -8.888 -2.190 1.00 0.00 O ATOM 1587 CB TYR A 97 -6.475 -10.571 0.566 1.00 0.00 C ATOM 1588 CG TYR A 97 -7.583 -9.647 1.076 1.00 0.00 C ATOM 1589 CD1 TYR A 97 -8.848 -10.149 1.309 1.00 0.00 C ATOM 1590 CD2 TYR A 97 -7.318 -8.312 1.304 1.00 0.00 C ATOM 1591 CE1 TYR A 97 -9.890 -9.280 1.789 1.00 0.00 C ATOM 1592 CE2 TYR A 97 -8.361 -7.442 1.783 1.00 0.00 C ATOM 1593 CZ TYR A 97 -9.596 -7.969 2.002 1.00 0.00 C ATOM 1594 OH TYR A 97 -10.581 -7.148 2.455 1.00 0.00 O ATOM 0 H TYR A 97 -4.580 -11.560 -0.461 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.292 -11.239 -1.356 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -6.611 -11.560 1.004 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.513 -10.196 0.917 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -9.056 -11.194 1.131 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.328 -7.920 1.123 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.883 -9.660 1.976 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -8.167 -6.395 1.964 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.227 -6.241 2.563 1.00 0.00 H new ATOM 1604 N LEU A 98 -5.295 -8.626 -1.405 1.00 0.00 N ATOM 1605 CA LEU A 98 -5.143 -7.284 -1.943 1.00 0.00 C ATOM 1606 C LEU A 98 -5.594 -7.271 -3.404 1.00 0.00 C ATOM 1607 O LEU A 98 -6.398 -6.429 -3.802 1.00 0.00 O ATOM 1608 CB LEU A 98 -3.712 -6.784 -1.736 1.00 0.00 C ATOM 1609 CG LEU A 98 -3.570 -5.408 -1.082 1.00 0.00 C ATOM 1610 CD1 LEU A 98 -4.199 -4.319 -1.953 1.00 0.00 C ATOM 1611 CD2 LEU A 98 -4.147 -5.413 0.335 1.00 0.00 C ATOM 0 H LEU A 98 -4.482 -8.977 -0.899 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.782 -6.583 -1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.179 -7.512 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.214 -6.757 -2.705 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.508 -5.178 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.084 -3.351 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.703 -4.297 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.259 -4.532 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.034 -4.423 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.205 -5.674 0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.615 -6.145 0.942 1.00 0.00 H new ATOM 1623 N LYS A 99 -5.058 -8.214 -4.165 1.00 0.00 N ATOM 1624 CA LYS A 99 -5.395 -8.321 -5.574 1.00 0.00 C ATOM 1625 C LYS A 99 -6.883 -8.651 -5.714 1.00 0.00 C ATOM 1626 O LYS A 99 -7.502 -8.325 -6.726 1.00 0.00 O ATOM 1627 CB LYS A 99 -4.475 -9.325 -6.271 1.00 0.00 C ATOM 1628 CG LYS A 99 -4.904 -9.547 -7.722 1.00 0.00 C ATOM 1629 CD LYS A 99 -4.067 -10.646 -8.380 1.00 0.00 C ATOM 1630 CE LYS A 99 -4.576 -10.954 -9.789 1.00 0.00 C ATOM 1631 NZ LYS A 99 -3.873 -12.131 -10.349 1.00 0.00 N ATOM 0 H LYS A 99 -4.392 -8.911 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.229 -7.369 -6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.448 -8.962 -6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.493 -10.273 -5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.959 -9.819 -7.755 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.797 -8.618 -8.283 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.024 -10.334 -8.427 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.103 -11.549 -7.771 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.649 -11.143 -9.761 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.422 -10.090 -10.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.231 -12.326 -11.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.852 -11.937 -10.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.042 -12.958 -9.741 1.00 0.00 H new ATOM 1645 N LYS A 100 -7.413 -9.293 -4.684 1.00 0.00 N ATOM 1646 CA LYS A 100 -8.816 -9.671 -4.679 1.00 0.00 C ATOM 1647 C LYS A 100 -9.670 -8.439 -4.371 1.00 0.00 C ATOM 1648 O LYS A 100 -10.471 -8.011 -5.201 1.00 0.00 O ATOM 1649 CB LYS A 100 -9.054 -10.839 -3.720 1.00 0.00 C ATOM 1650 CG LYS A 100 -10.468 -11.400 -3.879 1.00 0.00 C ATOM 1651 CD LYS A 100 -10.781 -12.417 -2.780 1.00 0.00 C ATOM 1652 CE LYS A 100 -10.944 -11.727 -1.424 1.00 0.00 C ATOM 1653 NZ LYS A 100 -12.364 -11.736 -1.005 1.00 0.00 N ATOM 0 H LYS A 100 -6.896 -9.561 -3.847 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.117 -10.031 -5.663 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.324 -11.625 -3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.904 -10.507 -2.693 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.192 -10.586 -3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.568 -11.873 -4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.694 -12.957 -3.029 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.980 -13.154 -2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.335 -12.234 -0.676 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.584 -10.700 -1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.457 -11.264 -0.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -12.938 -11.232 -1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.696 -12.718 -0.926 1.00 0.00 H new ATOM 1667 N ALA A 101 -9.470 -7.903 -3.176 1.00 0.00 N ATOM 1668 CA ALA A 101 -10.212 -6.729 -2.749 1.00 0.00 C ATOM 1669 C ALA A 101 -9.984 -5.595 -3.750 1.00 0.00 C ATOM 1670 O ALA A 101 -10.923 -4.891 -4.120 1.00 0.00 O ATOM 1671 CB ALA A 101 -9.789 -6.347 -1.329 1.00 0.00 C ATOM 0 H ALA A 101 -8.805 -8.260 -2.490 1.00 0.00 H new ATOM 0 HA ALA A 101 -11.282 -6.938 -2.726 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -10.345 -5.466 -1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.998 -7.175 -0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.722 -6.127 -1.314 1.00 0.00 H new ATOM 1677 N SER A 102 -8.732 -5.453 -4.160 1.00 0.00 N ATOM 1678 CA SER A 102 -8.369 -4.416 -5.111 1.00 0.00 C ATOM 1679 C SER A 102 -9.021 -4.698 -6.466 1.00 0.00 C ATOM 1680 O SER A 102 -9.303 -3.774 -7.227 1.00 0.00 O ATOM 1681 CB SER A 102 -6.850 -4.315 -5.263 1.00 0.00 C ATOM 1682 OG SER A 102 -6.208 -4.025 -4.024 1.00 0.00 O ATOM 0 H SER A 102 -7.956 -6.039 -3.851 1.00 0.00 H new ATOM 0 HA SER A 102 -8.733 -3.461 -4.732 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.462 -5.253 -5.662 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.609 -3.537 -5.987 1.00 0.00 H new ATOM 0 HG SER A 102 -6.404 -4.737 -3.380 1.00 0.00 H new ATOM 1688 N GLU A 103 -9.240 -5.979 -6.726 1.00 0.00 N ATOM 1689 CA GLU A 103 -9.853 -6.394 -7.977 1.00 0.00 C ATOM 1690 C GLU A 103 -10.658 -7.679 -7.772 1.00 0.00 C ATOM 1691 O GLU A 103 -11.776 -7.801 -8.270 1.00 0.00 O ATOM 1692 CB GLU A 103 -8.799 -6.575 -9.070 1.00 0.00 C ATOM 1693 CG GLU A 103 -9.456 -6.818 -10.431 1.00 0.00 C ATOM 1694 CD GLU A 103 -8.402 -6.971 -11.529 1.00 0.00 C ATOM 1695 OE1 GLU A 103 -7.934 -5.919 -12.017 1.00 0.00 O ATOM 1696 OE2 GLU A 103 -8.088 -8.136 -11.856 1.00 0.00 O ATOM 0 H GLU A 103 -9.004 -6.743 -6.092 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.535 -5.609 -8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.167 -5.689 -9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.151 -7.415 -8.820 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.072 -7.716 -10.386 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.119 -5.987 -10.672 1.00 0.00 H new TER 1703 GLU A 103 HETATM 1704 FE HEC A 104 -0.095 2.153 3.206 1.00 0.00 FE HETATM 1705 CHA HEC A 104 0.998 4.473 0.871 1.00 0.00 C HETATM 1706 CHB HEC A 104 -0.530 -0.039 0.574 1.00 0.00 C HETATM 1707 CHC HEC A 104 -0.653 -0.226 5.392 1.00 0.00 C HETATM 1708 CHD HEC A 104 -0.242 4.502 5.471 1.00 0.00 C HETATM 1709 NA HEC A 104 0.180 2.248 1.168 1.00 0.00 N HETATM 1710 C1A HEC A 104 0.618 3.236 0.372 1.00 0.00 C HETATM 1711 C2A HEC A 104 0.951 2.758 -0.992 1.00 0.00 C HETATM 1712 C3A HEC A 104 0.488 1.509 -1.043 1.00 0.00 C HETATM 1713 C4A HEC A 104 0.040 1.118 0.220 1.00 0.00 C HETATM 1714 CMA HEC A 104 0.568 0.554 -2.295 1.00 0.00 C HETATM 1715 CAA HEC A 104 1.464 3.688 -2.054 1.00 0.00 C HETATM 1716 CBA HEC A 104 0.286 4.577 -2.569 1.00 0.00 C HETATM 1717 CGA HEC A 104 0.622 5.948 -3.135 1.00 0.00 C HETATM 1718 O1A HEC A 104 0.880 5.938 -4.344 1.00 0.00 O HETATM 1719 O2A HEC A 104 0.605 6.960 -2.401 1.00 0.00 O HETATM 1720 NB HEC A 104 -0.524 0.215 3.015 1.00 0.00 N HETATM 1721 C1B HEC A 104 -0.874 -0.460 1.852 1.00 0.00 C HETATM 1722 C2B HEC A 104 -1.216 -1.815 2.274 1.00 0.00 C HETATM 1723 C3B HEC A 104 -1.196 -1.921 3.626 1.00 0.00 C HETATM 1724 C4B HEC A 104 -0.809 -0.600 4.044 1.00 0.00 C HETATM 1725 CMB HEC A 104 -1.694 -2.896 1.238 1.00 0.00 C HETATM 1726 CAB HEC A 104 -1.548 -3.056 4.551 1.00 0.00 C HETATM 1727 CBB HEC A 104 -0.741 -4.342 4.309 1.00 0.00 C HETATM 1728 NC HEC A 104 -0.389 2.186 5.083 1.00 0.00 N HETATM 1729 C1C HEC A 104 -0.602 1.134 5.922 1.00 0.00 C HETATM 1730 C2C HEC A 104 -0.877 1.424 7.275 1.00 0.00 C HETATM 1731 C3C HEC A 104 -0.714 2.763 7.309 1.00 0.00 C HETATM 1732 C4C HEC A 104 -0.500 3.249 5.948 1.00 0.00 C HETATM 1733 CMC HEC A 104 -1.162 0.488 8.409 1.00 0.00 C HETATM 1734 CAC HEC A 104 -1.043 3.804 8.423 1.00 0.00 C HETATM 1735 CBC HEC A 104 -0.292 3.496 9.738 1.00 0.00 C HETATM 1736 ND HEC A 104 0.294 4.133 3.177 1.00 0.00 N HETATM 1737 C1D HEC A 104 0.171 4.970 4.279 1.00 0.00 C HETATM 1738 C2D HEC A 104 0.543 6.263 3.933 1.00 0.00 C HETATM 1739 C3D HEC A 104 0.926 6.256 2.646 1.00 0.00 C HETATM 1740 C4D HEC A 104 0.841 4.875 2.178 1.00 0.00 C HETATM 1741 CMD HEC A 104 0.601 7.519 4.917 1.00 0.00 C HETATM 1742 CAD HEC A 104 1.548 7.456 1.889 1.00 0.00 C HETATM 1743 CBD HEC A 104 0.611 8.637 1.792 1.00 0.00 C HETATM 1744 CGD HEC A 104 1.163 10.017 2.097 1.00 0.00 C HETATM 1745 O1D HEC A 104 1.811 10.590 1.180 1.00 0.00 O HETATM 1746 O2D HEC A 104 1.055 10.367 3.294 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -0.389 7.700 5.335 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 1.305 7.316 5.725 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 0.927 8.400 4.364 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.051 -0.100 8.181 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -0.313 -0.180 8.552 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -1.330 1.061 9.321 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.603 -2.551 0.745 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -0.915 -3.055 0.493 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -1.896 -3.833 1.757 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 0.037 1.006 -3.132 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 1.612 0.399 -2.569 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.111 -0.405 -2.051 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 0.204 8.657 0.781 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 -0.224 8.456 2.468 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -0.579 2.508 10.098 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 0.783 3.518 9.557 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -0.549 4.244 10.488 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -0.914 -4.694 3.292 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 0.321 -4.137 4.446 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -1.057 -5.108 5.017 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -0.242 4.017 -3.341 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.412 4.718 -1.744 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 2.463 7.764 2.395 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 1.831 7.139 0.885 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 2.260 4.315 -1.652 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 1.893 3.118 -2.878 1.00 0.00 H new HETATM 0 HHD HEC A 104 -0.404 5.287 6.210 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.561 -1.036 6.116 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.751 -0.734 -0.236 1.00 0.00 H new HETATM 0 HHA HEC A 104 1.455 5.179 0.177 1.00 0.00 H new HETATM 0 H2D HEC A 104 1.567 11.189 3.442 1.00 0.00 H new HETATM 0 H2A HEC A 104 -0.070 7.590 -2.729 1.00 0.00 H new