USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 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 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 52 ASN : amide:sc= -1.17 K(o=3.3,f=2.7!) USER MOD Set 1.2: A 67 TYR OH : rot -126:sc= 1.09 USER MOD Set 1.3: A 78 THR OG1 : rot 151:sc= 1.8 USER MOD Set 1.4: A 105 HEC O2D : rot -95:sc= 1.54 USER MOD Set 2.1: A 48 TYR OH : rot 180:sc= -0.313 USER MOD Set 2.2: A 105 HEC O2A : rot -97:sc= 0.145 USER MOD Set 3.1: A 26 HIS : no HD1:sc= -0.465 K(o=-1.1,f=-1.7) USER MOD Set 3.2: A 31 ASN : amide:sc= -0.604 K(o=-1.1,f=-5.2!) USER MOD Single : A 1 GLY N :NH3+ -136:sc= -1.55 (180deg=-4.79!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= 1.13 (180deg=0.217) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -154:sc= 0.917 (180deg=-1.69) USER MOD Single : A 16 GLN : amide:sc= 0.815 K(o=0.82,f=0) USER MOD Single : A 19 THR OG1 : rot 43:sc= 0.382 USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= 0.83 (180deg=0.366) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0628 USER MOD Single : A 33 HIS : no HD1:sc= -0.0404 X(o=-0.04,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -107:sc= 1.57 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 47 THR OG1 : rot 170:sc= 0.351 USER MOD Single : A 49 THR OG1 : rot 130:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0705 X(o=-0.07,f=-0.07) USER MOD Single : A 55 LYS NZ :NH3+ 145:sc= 1.7 (180deg=1.25) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= 1.07 (180deg=0.827) USER MOD Single : A 63 THR OG1 : rot 100:sc= -0.134 USER MOD Single : A 65 MET CE :methyl -166:sc= -0.0936 (180deg=-0.335) USER MOD Single : A 70 ASN : amide:sc= 0.775 K(o=0.78,f=-5.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 127:sc= -0.284 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 179:sc= -0.562 (180deg=-0.562) 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 88 LYS NZ :NH3+ 144:sc= 1.16 (180deg=0.717) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 97 TYR OH : rot 150:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -118:sc= 1.12 (180deg=-2.77) USER MOD Single : A 102 THR OG1 : rot -57:sc= 0.697 USER MOD Single : A 103 ASN : amide:sc= -0.0578 K(o=-0.058,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.310 9.884 3.306 1.00 0.00 N ATOM 2 CA GLY A 1 -11.014 10.286 4.673 1.00 0.00 C ATOM 3 C GLY A 1 -10.342 11.638 4.521 1.00 0.00 C ATOM 4 O GLY A 1 -10.683 12.313 3.548 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.274 9.495 3.259 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.239 10.710 2.678 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.629 9.159 3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.921 10.356 5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.359 9.568 5.167 1.00 0.00 H new ATOM 10 N ASP A 2 -9.405 11.995 5.389 1.00 0.00 N ATOM 11 CA ASP A 2 -8.701 13.264 5.313 1.00 0.00 C ATOM 12 C ASP A 2 -7.452 13.060 4.458 1.00 0.00 C ATOM 13 O ASP A 2 -7.545 12.690 3.289 1.00 0.00 O ATOM 14 CB ASP A 2 -8.393 13.797 6.728 1.00 0.00 C ATOM 15 CG ASP A 2 -9.643 14.100 7.548 1.00 0.00 C ATOM 16 OD1 ASP A 2 -10.626 14.576 6.943 1.00 0.00 O ATOM 17 OD2 ASP A 2 -9.575 13.878 8.777 1.00 0.00 O ATOM 0 H ASP A 2 -9.112 11.408 6.170 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.317 14.029 4.840 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.788 13.063 7.260 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.794 14.704 6.644 1.00 0.00 H new ATOM 22 N VAL A 3 -6.277 13.292 5.043 1.00 0.00 N ATOM 23 CA VAL A 3 -4.992 13.246 4.364 1.00 0.00 C ATOM 24 C VAL A 3 -3.892 13.144 5.426 1.00 0.00 C ATOM 25 O VAL A 3 -3.073 12.225 5.416 1.00 0.00 O ATOM 26 CB VAL A 3 -4.872 14.466 3.423 1.00 0.00 C ATOM 27 CG1 VAL A 3 -4.841 15.835 4.118 1.00 0.00 C ATOM 28 CG2 VAL A 3 -3.653 14.326 2.520 1.00 0.00 C ATOM 0 H VAL A 3 -6.196 13.524 6.033 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.890 12.370 3.724 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.794 14.453 2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.755 16.622 3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.760 15.975 4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.986 15.881 4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.584 15.194 1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.753 14.261 3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.748 13.423 1.917 1.00 0.00 H new ATOM 38 N GLU A 4 -3.943 14.060 6.395 1.00 0.00 N ATOM 39 CA GLU A 4 -3.075 14.091 7.560 1.00 0.00 C ATOM 40 C GLU A 4 -3.374 12.875 8.424 1.00 0.00 C ATOM 41 O GLU A 4 -2.464 12.138 8.802 1.00 0.00 O ATOM 42 CB GLU A 4 -3.342 15.383 8.343 1.00 0.00 C ATOM 43 CG GLU A 4 -2.670 16.585 7.669 1.00 0.00 C ATOM 44 CD GLU A 4 -1.215 16.699 8.105 1.00 0.00 C ATOM 45 OE1 GLU A 4 -1.004 17.248 9.206 1.00 0.00 O ATOM 46 OE2 GLU A 4 -0.350 16.194 7.354 1.00 0.00 O ATOM 0 H GLU A 4 -4.617 14.826 6.384 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.027 14.068 7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.416 15.555 8.412 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.969 15.278 9.362 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.723 16.478 6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.205 17.499 7.926 1.00 0.00 H new ATOM 53 N LYS A 5 -4.661 12.642 8.710 1.00 0.00 N ATOM 54 CA LYS A 5 -5.064 11.435 9.406 1.00 0.00 C ATOM 55 C LYS A 5 -4.541 10.220 8.660 1.00 0.00 C ATOM 56 O LYS A 5 -3.970 9.340 9.287 1.00 0.00 O ATOM 57 CB LYS A 5 -6.580 11.341 9.576 1.00 0.00 C ATOM 58 CG LYS A 5 -7.105 12.396 10.557 1.00 0.00 C ATOM 59 CD LYS A 5 -8.084 11.732 11.533 1.00 0.00 C ATOM 60 CE LYS A 5 -8.706 12.786 12.455 1.00 0.00 C ATOM 61 NZ LYS A 5 -9.546 12.168 13.501 1.00 0.00 N ATOM 0 H LYS A 5 -5.426 13.272 8.469 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.634 11.469 10.407 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.064 11.471 8.608 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.845 10.346 9.934 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.276 12.846 11.104 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.603 13.200 10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.867 11.215 10.979 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.564 10.980 12.126 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.915 13.373 12.923 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.309 13.476 11.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.950 12.911 14.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.315 11.628 13.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.965 11.529 14.080 1.00 0.00 H new ATOM 75 N GLY A 6 -4.672 10.182 7.333 1.00 0.00 N ATOM 76 CA GLY A 6 -4.109 9.079 6.572 1.00 0.00 C ATOM 77 C GLY A 6 -2.623 8.928 6.878 1.00 0.00 C ATOM 78 O GLY A 6 -2.200 7.858 7.303 1.00 0.00 O ATOM 0 H GLY A 6 -5.153 10.889 6.777 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.633 8.155 6.816 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.252 9.254 5.506 1.00 0.00 H new ATOM 82 N LYS A 7 -1.828 9.988 6.704 1.00 0.00 N ATOM 83 CA LYS A 7 -0.397 9.935 6.870 1.00 0.00 C ATOM 84 C LYS A 7 0.001 9.501 8.277 1.00 0.00 C ATOM 85 O LYS A 7 0.918 8.698 8.459 1.00 0.00 O ATOM 86 CB LYS A 7 0.190 11.295 6.451 1.00 0.00 C ATOM 87 CG LYS A 7 1.710 11.176 6.396 1.00 0.00 C ATOM 88 CD LYS A 7 2.416 12.082 5.372 1.00 0.00 C ATOM 89 CE LYS A 7 2.960 13.399 5.935 1.00 0.00 C ATOM 90 NZ LYS A 7 3.809 14.077 4.931 1.00 0.00 N ATOM 0 H LYS A 7 -2.176 10.910 6.441 1.00 0.00 H new ATOM 0 HA LYS A 7 0.027 9.167 6.223 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.201 11.592 5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.103 12.068 7.161 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.109 11.398 7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.967 10.140 6.174 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.242 11.527 4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.716 12.310 4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.133 14.049 6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.538 13.205 6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.369 14.821 5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.449 13.384 4.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.207 14.503 4.198 1.00 0.00 H new ATOM 104 N LYS A 8 -0.701 10.028 9.271 1.00 0.00 N ATOM 105 CA LYS A 8 -0.368 9.814 10.664 1.00 0.00 C ATOM 106 C LYS A 8 -0.693 8.376 11.032 1.00 0.00 C ATOM 107 O LYS A 8 0.134 7.670 11.608 1.00 0.00 O ATOM 108 CB LYS A 8 -1.146 10.799 11.551 1.00 0.00 C ATOM 109 CG LYS A 8 -0.703 12.259 11.361 1.00 0.00 C ATOM 110 CD LYS A 8 0.341 12.726 12.386 1.00 0.00 C ATOM 111 CE LYS A 8 1.663 11.946 12.295 1.00 0.00 C ATOM 112 NZ LYS A 8 2.726 12.539 13.134 1.00 0.00 N ATOM 0 H LYS A 8 -1.521 10.618 9.128 1.00 0.00 H new ATOM 0 HA LYS A 8 0.696 9.991 10.824 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.210 10.716 11.329 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.016 10.519 12.596 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.293 12.377 10.358 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.578 12.906 11.426 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.540 13.787 12.236 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.070 12.618 13.390 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.495 10.914 12.602 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.995 11.919 11.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.597 11.978 13.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.908 13.515 12.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.423 12.541 14.129 1.00 0.00 H new ATOM 126 N ILE A 9 -1.907 7.945 10.695 1.00 0.00 N ATOM 127 CA ILE A 9 -2.407 6.642 11.056 1.00 0.00 C ATOM 128 C ILE A 9 -1.565 5.607 10.321 1.00 0.00 C ATOM 129 O ILE A 9 -1.114 4.633 10.918 1.00 0.00 O ATOM 130 CB ILE A 9 -3.885 6.582 10.666 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.746 7.504 11.553 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.381 5.153 10.840 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.186 7.627 11.036 1.00 0.00 C ATOM 0 H ILE A 9 -2.570 8.505 10.158 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.335 6.442 12.125 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.975 6.912 9.631 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.759 7.116 12.572 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.291 8.494 11.595 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.434 5.097 10.565 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.803 4.487 10.200 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.261 4.850 11.880 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.753 8.286 11.693 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.176 8.041 10.028 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.652 6.642 11.020 1.00 0.00 H new ATOM 145 N PHE A 10 -1.348 5.839 9.024 1.00 0.00 N ATOM 146 CA PHE A 10 -0.448 5.049 8.214 1.00 0.00 C ATOM 147 C PHE A 10 0.855 4.847 8.965 1.00 0.00 C ATOM 148 O PHE A 10 1.167 3.733 9.360 1.00 0.00 O ATOM 149 CB PHE A 10 -0.218 5.757 6.868 1.00 0.00 C ATOM 150 CG PHE A 10 0.960 5.264 6.061 1.00 0.00 C ATOM 151 CD1 PHE A 10 2.235 5.802 6.289 1.00 0.00 C ATOM 152 CD2 PHE A 10 0.818 4.199 5.169 1.00 0.00 C ATOM 153 CE1 PHE A 10 3.378 5.195 5.766 1.00 0.00 C ATOM 154 CE2 PHE A 10 1.958 3.615 4.594 1.00 0.00 C ATOM 155 CZ PHE A 10 3.239 4.097 4.906 1.00 0.00 C ATOM 0 H PHE A 10 -1.804 6.593 8.510 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.881 4.069 8.012 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.119 5.650 6.264 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.085 6.822 7.057 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.334 6.701 6.879 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.165 3.826 4.922 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.359 5.567 6.021 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.849 2.789 3.907 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.114 3.624 4.485 1.00 0.00 H new ATOM 165 N VAL A 11 1.605 5.917 9.219 1.00 0.00 N ATOM 166 CA VAL A 11 2.879 5.788 9.886 1.00 0.00 C ATOM 167 C VAL A 11 2.724 5.004 11.204 1.00 0.00 C ATOM 168 O VAL A 11 3.578 4.184 11.534 1.00 0.00 O ATOM 169 CB VAL A 11 3.529 7.179 10.033 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.595 7.175 11.123 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.166 7.698 8.735 1.00 0.00 C ATOM 0 H VAL A 11 1.347 6.872 8.972 1.00 0.00 H new ATOM 0 HA VAL A 11 3.569 5.195 9.286 1.00 0.00 H new ATOM 0 HB VAL A 11 2.711 7.848 10.299 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.036 8.168 11.204 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.141 6.901 12.075 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.371 6.453 10.870 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.604 8.680 8.912 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.944 7.007 8.410 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.403 7.775 7.961 1.00 0.00 H new ATOM 181 N GLN A 12 1.617 5.208 11.926 1.00 0.00 N ATOM 182 CA GLN A 12 1.306 4.473 13.147 1.00 0.00 C ATOM 183 C GLN A 12 1.309 2.944 12.954 1.00 0.00 C ATOM 184 O GLN A 12 1.750 2.243 13.861 1.00 0.00 O ATOM 185 CB GLN A 12 -0.015 4.996 13.753 1.00 0.00 C ATOM 186 CG GLN A 12 0.030 5.208 15.274 1.00 0.00 C ATOM 187 CD GLN A 12 -0.339 3.958 16.064 1.00 0.00 C ATOM 188 OE1 GLN A 12 0.515 3.288 16.628 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.634 3.659 16.148 1.00 0.00 N ATOM 0 H GLN A 12 0.908 5.896 11.673 1.00 0.00 H new ATOM 0 HA GLN A 12 2.108 4.660 13.861 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.273 5.940 13.273 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.813 4.291 13.519 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.032 5.529 15.560 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.652 6.015 15.543 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.323 4.237 15.666 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.937 2.852 16.694 1.00 0.00 H new ATOM 198 N LYS A 13 0.813 2.409 11.826 1.00 0.00 N ATOM 199 CA LYS A 13 0.721 0.949 11.634 1.00 0.00 C ATOM 200 C LYS A 13 1.073 0.410 10.238 1.00 0.00 C ATOM 201 O LYS A 13 0.725 -0.725 9.910 1.00 0.00 O ATOM 202 CB LYS A 13 -0.668 0.471 12.057 1.00 0.00 C ATOM 203 CG LYS A 13 -1.791 1.222 11.335 1.00 0.00 C ATOM 204 CD LYS A 13 -2.621 2.073 12.307 1.00 0.00 C ATOM 205 CE LYS A 13 -4.043 1.505 12.357 1.00 0.00 C ATOM 206 NZ LYS A 13 -5.000 2.391 13.044 1.00 0.00 N ATOM 0 H LYS A 13 0.472 2.959 11.038 1.00 0.00 H new ATOM 0 HA LYS A 13 1.504 0.535 12.270 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.759 -0.596 11.853 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.782 0.601 13.133 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.363 1.863 10.564 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.441 0.507 10.831 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.172 2.060 13.300 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.639 3.113 11.980 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.391 1.325 11.340 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.024 0.540 12.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.780 1.824 13.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.516 2.892 13.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.380 3.083 12.367 1.00 0.00 H new ATOM 220 N CYS A 14 1.778 1.188 9.426 1.00 0.00 N ATOM 221 CA CYS A 14 2.192 0.812 8.082 1.00 0.00 C ATOM 222 C CYS A 14 3.702 1.021 7.977 1.00 0.00 C ATOM 223 O CYS A 14 4.412 0.130 7.526 1.00 0.00 O ATOM 224 CB CYS A 14 1.479 1.626 7.029 1.00 0.00 C ATOM 225 SG CYS A 14 -0.346 1.674 7.097 1.00 0.00 S ATOM 0 H CYS A 14 2.085 2.123 9.693 1.00 0.00 H new ATOM 0 HA CYS A 14 1.933 -0.232 7.906 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.845 2.651 7.090 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.770 1.241 6.052 1.00 0.00 H new ATOM 230 N ALA A 15 4.208 2.183 8.416 1.00 0.00 N ATOM 231 CA ALA A 15 5.624 2.552 8.325 1.00 0.00 C ATOM 232 C ALA A 15 6.581 1.544 8.942 1.00 0.00 C ATOM 233 O ALA A 15 7.711 1.427 8.478 1.00 0.00 O ATOM 234 CB ALA A 15 5.882 3.911 8.951 1.00 0.00 C ATOM 0 H ALA A 15 3.632 2.904 8.852 1.00 0.00 H new ATOM 0 HA ALA A 15 5.827 2.576 7.254 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.941 4.155 8.867 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.293 4.668 8.433 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.597 3.887 10.003 1.00 0.00 H new ATOM 240 N GLN A 16 6.140 0.824 9.978 1.00 0.00 N ATOM 241 CA GLN A 16 6.891 -0.283 10.558 1.00 0.00 C ATOM 242 C GLN A 16 7.467 -1.185 9.459 1.00 0.00 C ATOM 243 O GLN A 16 8.570 -1.708 9.613 1.00 0.00 O ATOM 244 CB GLN A 16 5.981 -1.062 11.530 1.00 0.00 C ATOM 245 CG GLN A 16 6.675 -1.434 12.849 1.00 0.00 C ATOM 246 CD GLN A 16 7.271 -2.841 12.878 1.00 0.00 C ATOM 247 OE1 GLN A 16 6.921 -3.640 13.738 1.00 0.00 O ATOM 248 NE2 GLN A 16 8.179 -3.174 11.966 1.00 0.00 N ATOM 0 H GLN A 16 5.246 0.997 10.437 1.00 0.00 H new ATOM 0 HA GLN A 16 7.740 0.105 11.121 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.098 -0.462 11.749 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.634 -1.972 11.041 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.469 -0.713 13.043 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.955 -1.341 13.662 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.460 -2.498 11.256 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.594 -4.106 11.976 1.00 0.00 H new ATOM 257 N CYS A 17 6.715 -1.346 8.367 1.00 0.00 N ATOM 258 CA CYS A 17 7.106 -2.058 7.166 1.00 0.00 C ATOM 259 C CYS A 17 7.470 -1.089 6.021 1.00 0.00 C ATOM 260 O CYS A 17 8.399 -1.373 5.265 1.00 0.00 O ATOM 261 CB CYS A 17 5.987 -2.992 6.782 1.00 0.00 C ATOM 262 SG CYS A 17 5.732 -4.283 8.048 1.00 0.00 S ATOM 0 H CYS A 17 5.773 -0.961 8.302 1.00 0.00 H new ATOM 0 HA CYS A 17 8.008 -2.638 7.361 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.066 -2.424 6.649 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.214 -3.460 5.824 1.00 0.00 H new ATOM 267 N HIS A 18 6.755 0.038 5.870 1.00 0.00 N ATOM 268 CA HIS A 18 6.768 0.896 4.684 1.00 0.00 C ATOM 269 C HIS A 18 7.252 2.308 4.991 1.00 0.00 C ATOM 270 O HIS A 18 6.437 3.220 5.121 1.00 0.00 O ATOM 271 CB HIS A 18 5.339 1.025 4.149 1.00 0.00 C ATOM 272 CG HIS A 18 4.817 -0.212 3.505 1.00 0.00 C ATOM 273 ND1 HIS A 18 4.993 -0.520 2.182 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.820 -1.002 4.005 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.126 -1.495 1.894 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.411 -1.849 2.967 1.00 0.00 N ATOM 0 H HIS A 18 6.131 0.385 6.599 1.00 0.00 H new ATOM 0 HA HIS A 18 7.446 0.435 3.965 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.678 1.300 4.971 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.305 1.840 3.426 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.658 -0.088 1.540 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.423 -0.978 5.009 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.016 -1.941 0.917 1.00 0.00 H new ATOM 284 N THR A 19 8.555 2.555 5.054 1.00 0.00 N ATOM 285 CA THR A 19 9.032 3.881 5.414 1.00 0.00 C ATOM 286 C THR A 19 9.009 4.841 4.205 1.00 0.00 C ATOM 287 O THR A 19 10.061 5.319 3.765 1.00 0.00 O ATOM 288 CB THR A 19 10.413 3.748 6.055 1.00 0.00 C ATOM 289 OG1 THR A 19 11.333 3.270 5.096 1.00 0.00 O ATOM 290 CG2 THR A 19 10.415 2.809 7.266 1.00 0.00 C ATOM 0 H THR A 19 9.286 1.869 4.865 1.00 0.00 H new ATOM 0 HA THR A 19 8.361 4.332 6.145 1.00 0.00 H new ATOM 0 HB THR A 19 10.700 4.738 6.408 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.192 3.737 4.246 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.421 2.753 7.681 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.731 3.191 8.024 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.094 1.815 6.956 1.00 0.00 H new ATOM 298 N VAL A 20 7.820 5.123 3.661 1.00 0.00 N ATOM 299 CA VAL A 20 7.592 6.081 2.600 1.00 0.00 C ATOM 300 C VAL A 20 7.596 7.498 3.180 1.00 0.00 C ATOM 301 O VAL A 20 6.556 8.070 3.487 1.00 0.00 O ATOM 302 CB VAL A 20 6.304 5.715 1.848 1.00 0.00 C ATOM 303 CG1 VAL A 20 5.008 5.858 2.655 1.00 0.00 C ATOM 304 CG2 VAL A 20 6.214 6.541 0.566 1.00 0.00 C ATOM 0 H VAL A 20 6.962 4.665 3.968 1.00 0.00 H new ATOM 0 HA VAL A 20 8.395 6.051 1.864 1.00 0.00 H new ATOM 0 HB VAL A 20 6.384 4.650 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.159 5.575 2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.050 5.208 3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.893 6.893 2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.300 6.283 0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.200 7.602 0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.077 6.328 -0.065 1.00 0.00 H new ATOM 314 N GLU A 21 8.786 8.068 3.339 1.00 0.00 N ATOM 315 CA GLU A 21 8.944 9.465 3.703 1.00 0.00 C ATOM 316 C GLU A 21 10.184 9.961 2.974 1.00 0.00 C ATOM 317 O GLU A 21 10.122 10.842 2.123 1.00 0.00 O ATOM 318 CB GLU A 21 9.070 9.574 5.231 1.00 0.00 C ATOM 319 CG GLU A 21 9.236 11.022 5.711 1.00 0.00 C ATOM 320 CD GLU A 21 10.037 11.069 7.000 1.00 0.00 C ATOM 321 OE1 GLU A 21 11.264 10.845 6.891 1.00 0.00 O ATOM 322 OE2 GLU A 21 9.431 11.310 8.062 1.00 0.00 O ATOM 0 H GLU A 21 9.668 7.570 3.218 1.00 0.00 H new ATOM 0 HA GLU A 21 8.089 10.078 3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.184 9.141 5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.925 8.985 5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.738 11.610 4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.256 11.473 5.869 1.00 0.00 H new ATOM 329 N LYS A 22 11.315 9.335 3.299 1.00 0.00 N ATOM 330 CA LYS A 22 12.631 9.727 2.835 1.00 0.00 C ATOM 331 C LYS A 22 13.258 8.619 1.986 1.00 0.00 C ATOM 332 O LYS A 22 14.461 8.391 2.067 1.00 0.00 O ATOM 333 CB LYS A 22 13.466 10.090 4.070 1.00 0.00 C ATOM 334 CG LYS A 22 13.560 8.945 5.099 1.00 0.00 C ATOM 335 CD LYS A 22 14.752 9.104 6.056 1.00 0.00 C ATOM 336 CE LYS A 22 14.467 9.958 7.301 1.00 0.00 C ATOM 337 NZ LYS A 22 13.813 11.243 6.989 1.00 0.00 N ATOM 0 H LYS A 22 11.333 8.519 3.910 1.00 0.00 H new ATOM 0 HA LYS A 22 12.578 10.597 2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.471 10.367 3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.030 10.966 4.550 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.637 8.906 5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.647 7.995 4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.077 8.114 6.378 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.583 9.550 5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.834 9.392 7.984 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.404 10.152 7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.755 11.822 7.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.367 11.749 6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.855 11.066 6.626 1.00 0.00 H new ATOM 351 N GLY A 23 12.432 7.914 1.204 1.00 0.00 N ATOM 352 CA GLY A 23 12.861 6.820 0.342 1.00 0.00 C ATOM 353 C GLY A 23 13.761 5.827 1.080 1.00 0.00 C ATOM 354 O GLY A 23 14.928 5.682 0.732 1.00 0.00 O ATOM 0 H GLY A 23 11.429 8.096 1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.985 6.298 -0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 23 13.396 7.224 -0.518 1.00 0.00 H new ATOM 358 N GLY A 24 13.217 5.164 2.108 1.00 0.00 N ATOM 359 CA GLY A 24 13.995 4.326 3.011 1.00 0.00 C ATOM 360 C GLY A 24 14.549 3.061 2.357 1.00 0.00 C ATOM 361 O GLY A 24 15.559 3.088 1.659 1.00 0.00 O ATOM 0 H GLY A 24 12.223 5.198 2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.824 4.910 3.410 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.369 4.042 3.857 1.00 0.00 H new ATOM 365 N LYS A 25 13.944 1.920 2.677 1.00 0.00 N ATOM 366 CA LYS A 25 14.349 0.614 2.179 1.00 0.00 C ATOM 367 C LYS A 25 13.108 -0.223 1.864 1.00 0.00 C ATOM 368 O LYS A 25 11.985 0.209 2.114 1.00 0.00 O ATOM 369 CB LYS A 25 15.297 -0.089 3.174 1.00 0.00 C ATOM 370 CG LYS A 25 16.765 0.344 3.013 1.00 0.00 C ATOM 371 CD LYS A 25 17.146 1.602 3.812 1.00 0.00 C ATOM 372 CE LYS A 25 18.051 1.262 5.004 1.00 0.00 C ATOM 373 NZ LYS A 25 18.549 2.478 5.681 1.00 0.00 N ATOM 0 H LYS A 25 13.141 1.880 3.304 1.00 0.00 H new ATOM 0 HA LYS A 25 14.912 0.739 1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.970 0.125 4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.225 -1.168 3.036 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.410 -0.478 3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.964 0.525 1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.656 2.309 3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.242 2.094 4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.498 0.650 5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.896 0.666 4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.156 2.206 6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.098 3.050 5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.744 3.035 6.032 1.00 0.00 H new ATOM 387 N HIS A 26 13.337 -1.400 1.274 1.00 0.00 N ATOM 388 CA HIS A 26 12.320 -2.269 0.703 1.00 0.00 C ATOM 389 C HIS A 26 12.581 -3.697 1.199 1.00 0.00 C ATOM 390 O HIS A 26 13.016 -4.554 0.434 1.00 0.00 O ATOM 391 CB HIS A 26 12.386 -2.212 -0.827 1.00 0.00 C ATOM 392 CG HIS A 26 12.675 -0.881 -1.479 1.00 0.00 C ATOM 393 ND1 HIS A 26 13.883 -0.216 -1.418 1.00 0.00 N ATOM 394 CD2 HIS A 26 11.993 -0.365 -2.550 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.900 0.709 -2.390 1.00 0.00 C ATOM 396 NE2 HIS A 26 12.780 0.641 -3.122 1.00 0.00 N ATOM 0 H HIS A 26 14.278 -1.784 1.181 1.00 0.00 H new ATOM 0 HA HIS A 26 11.325 -1.946 1.011 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.151 -2.916 -1.154 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.434 -2.573 -1.215 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.018 -0.680 -2.893 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.704 1.410 -2.559 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.547 1.210 -3.936 1.00 0.00 H new ATOM 404 N LYS A 27 12.412 -3.940 2.501 1.00 0.00 N ATOM 405 CA LYS A 27 12.819 -5.206 3.113 1.00 0.00 C ATOM 406 C LYS A 27 11.612 -6.083 3.435 1.00 0.00 C ATOM 407 O LYS A 27 11.628 -7.292 3.212 1.00 0.00 O ATOM 408 CB LYS A 27 13.683 -4.949 4.357 1.00 0.00 C ATOM 409 CG LYS A 27 14.796 -6.004 4.424 1.00 0.00 C ATOM 410 CD LYS A 27 15.727 -5.819 5.628 1.00 0.00 C ATOM 411 CE LYS A 27 15.051 -6.244 6.940 1.00 0.00 C ATOM 412 NZ LYS A 27 16.000 -6.249 8.073 1.00 0.00 N ATOM 0 H LYS A 27 11.995 -3.275 3.152 1.00 0.00 H new ATOM 0 HA LYS A 27 13.425 -5.754 2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.115 -3.949 4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.069 -4.993 5.257 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.346 -6.996 4.469 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.384 -5.962 3.507 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.634 -6.405 5.480 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.030 -4.774 5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.227 -5.566 7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.622 -7.239 6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.505 -6.541 8.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.774 -6.915 7.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.391 -5.294 8.203 1.00 0.00 H new ATOM 426 N THR A 28 10.569 -5.476 3.997 1.00 0.00 N ATOM 427 CA THR A 28 9.316 -6.158 4.281 1.00 0.00 C ATOM 428 C THR A 28 8.162 -5.214 3.961 1.00 0.00 C ATOM 429 O THR A 28 7.086 -5.347 4.527 1.00 0.00 O ATOM 430 CB THR A 28 9.334 -6.668 5.733 1.00 0.00 C ATOM 431 OG1 THR A 28 10.555 -7.356 5.943 1.00 0.00 O ATOM 432 CG2 THR A 28 8.185 -7.625 6.071 1.00 0.00 C ATOM 0 H THR A 28 10.573 -4.493 4.268 1.00 0.00 H new ATOM 0 HA THR A 28 9.180 -7.039 3.654 1.00 0.00 H new ATOM 0 HB THR A 28 9.221 -5.796 6.377 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.589 -7.689 6.864 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.268 -7.940 7.111 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.232 -7.117 5.920 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.237 -8.499 5.422 1.00 0.00 H new ATOM 440 N GLY A 29 8.368 -4.294 3.014 1.00 0.00 N ATOM 441 CA GLY A 29 7.359 -3.325 2.640 1.00 0.00 C ATOM 442 C GLY A 29 7.989 -2.390 1.612 1.00 0.00 C ATOM 443 O GLY A 29 8.968 -1.723 1.939 1.00 0.00 O ATOM 0 H GLY A 29 9.240 -4.208 2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.484 -3.823 2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.021 -2.766 3.512 1.00 0.00 H new ATOM 447 N PRO A 30 7.511 -2.362 0.362 1.00 0.00 N ATOM 448 CA PRO A 30 8.036 -1.447 -0.636 1.00 0.00 C ATOM 449 C PRO A 30 7.743 -0.019 -0.202 1.00 0.00 C ATOM 450 O PRO A 30 6.598 0.306 0.115 1.00 0.00 O ATOM 451 CB PRO A 30 7.311 -1.759 -1.948 1.00 0.00 C ATOM 452 CG PRO A 30 6.071 -2.538 -1.510 1.00 0.00 C ATOM 453 CD PRO A 30 6.424 -3.161 -0.163 1.00 0.00 C ATOM 0 HA PRO A 30 9.114 -1.557 -0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.042 -0.847 -2.482 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.936 -2.348 -2.619 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.207 -1.880 -1.422 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.814 -3.305 -2.240 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.567 -3.149 0.511 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.724 -4.203 -0.279 1.00 0.00 H new ATOM 461 N ASN A 31 8.751 0.852 -0.214 1.00 0.00 N ATOM 462 CA ASN A 31 8.493 2.282 -0.128 1.00 0.00 C ATOM 463 C ASN A 31 7.470 2.695 -1.199 1.00 0.00 C ATOM 464 O ASN A 31 7.664 2.476 -2.393 1.00 0.00 O ATOM 465 CB ASN A 31 9.793 3.090 -0.221 1.00 0.00 C ATOM 466 CG ASN A 31 10.447 3.050 -1.601 1.00 0.00 C ATOM 467 OD1 ASN A 31 10.374 2.051 -2.303 1.00 0.00 O ATOM 468 ND2 ASN A 31 11.113 4.129 -2.000 1.00 0.00 N ATOM 0 H ASN A 31 9.736 0.596 -0.281 1.00 0.00 H new ATOM 0 HA ASN A 31 8.063 2.506 0.848 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.585 4.127 0.042 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.500 2.710 0.517 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.577 4.135 -2.909 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.160 4.951 -1.398 1.00 0.00 H new ATOM 475 N LEU A 32 6.351 3.281 -0.776 1.00 0.00 N ATOM 476 CA LEU A 32 5.212 3.587 -1.633 1.00 0.00 C ATOM 477 C LEU A 32 5.468 4.881 -2.421 1.00 0.00 C ATOM 478 O LEU A 32 4.663 5.807 -2.402 1.00 0.00 O ATOM 479 CB LEU A 32 3.942 3.648 -0.765 1.00 0.00 C ATOM 480 CG LEU A 32 3.759 2.437 0.171 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.574 2.669 1.111 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.525 1.143 -0.609 1.00 0.00 C ATOM 0 H LEU A 32 6.210 3.562 0.194 1.00 0.00 H new ATOM 0 HA LEU A 32 5.069 2.804 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.969 4.557 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.072 3.723 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 32 4.680 2.333 0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.455 1.806 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.756 3.560 1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.666 2.806 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.401 0.315 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.626 1.242 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.381 0.948 -1.255 1.00 0.00 H new ATOM 494 N HIS A 33 6.613 4.931 -3.110 1.00 0.00 N ATOM 495 CA HIS A 33 7.141 6.094 -3.811 1.00 0.00 C ATOM 496 C HIS A 33 6.144 6.604 -4.852 1.00 0.00 C ATOM 497 O HIS A 33 5.938 7.805 -4.997 1.00 0.00 O ATOM 498 CB HIS A 33 8.471 5.682 -4.460 1.00 0.00 C ATOM 499 CG HIS A 33 9.254 6.812 -5.082 1.00 0.00 C ATOM 500 ND1 HIS A 33 10.399 7.376 -4.567 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.042 7.363 -6.319 1.00 0.00 C ATOM 502 CE1 HIS A 33 10.861 8.254 -5.473 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.073 8.274 -6.560 1.00 0.00 N ATOM 0 H HIS A 33 7.223 4.118 -3.195 1.00 0.00 H new ATOM 0 HA HIS A 33 7.308 6.915 -3.114 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.093 5.202 -3.705 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.268 4.935 -5.228 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.225 7.134 -6.987 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.745 8.861 -5.345 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.202 8.843 -7.397 1.00 0.00 H new ATOM 511 N GLY A 34 5.546 5.673 -5.594 1.00 0.00 N ATOM 512 CA GLY A 34 4.577 5.956 -6.634 1.00 0.00 C ATOM 513 C GLY A 34 3.731 4.705 -6.825 1.00 0.00 C ATOM 514 O GLY A 34 4.239 3.713 -7.338 1.00 0.00 O ATOM 0 H GLY A 34 5.732 4.677 -5.480 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.951 6.803 -6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.080 6.224 -7.563 1.00 0.00 H new ATOM 518 N LEU A 35 2.477 4.742 -6.366 1.00 0.00 N ATOM 519 CA LEU A 35 1.509 3.658 -6.478 1.00 0.00 C ATOM 520 C LEU A 35 0.550 3.933 -7.636 1.00 0.00 C ATOM 521 O LEU A 35 0.553 3.229 -8.642 1.00 0.00 O ATOM 522 CB LEU A 35 0.718 3.551 -5.169 1.00 0.00 C ATOM 523 CG LEU A 35 1.542 3.017 -3.993 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.666 3.152 -2.747 1.00 0.00 C ATOM 525 CD2 LEU A 35 1.932 1.553 -4.220 1.00 0.00 C ATOM 0 H LEU A 35 2.098 5.560 -5.889 1.00 0.00 H new ATOM 0 HA LEU A 35 2.034 2.722 -6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.327 4.535 -4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.140 2.898 -5.326 1.00 0.00 H new ATOM 0 HG LEU A 35 2.470 3.579 -3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.210 2.783 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.408 4.200 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.246 2.569 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.516 1.196 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.031 0.948 -4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.527 1.472 -5.130 1.00 0.00 H new ATOM 537 N PHE A 36 -0.272 4.972 -7.470 1.00 0.00 N ATOM 538 CA PHE A 36 -1.291 5.408 -8.408 1.00 0.00 C ATOM 539 C PHE A 36 -0.651 5.714 -9.761 1.00 0.00 C ATOM 540 O PHE A 36 -0.173 6.825 -9.976 1.00 0.00 O ATOM 541 CB PHE A 36 -2.037 6.620 -7.827 1.00 0.00 C ATOM 542 CG PHE A 36 -2.787 6.332 -6.533 1.00 0.00 C ATOM 543 CD1 PHE A 36 -2.112 6.346 -5.296 1.00 0.00 C ATOM 544 CD2 PHE A 36 -4.162 6.031 -6.559 1.00 0.00 C ATOM 545 CE1 PHE A 36 -2.772 5.969 -4.115 1.00 0.00 C ATOM 546 CE2 PHE A 36 -4.837 5.747 -5.359 1.00 0.00 C ATOM 547 CZ PHE A 36 -4.144 5.691 -4.147 1.00 0.00 C ATOM 0 H PHE A 36 -0.237 5.556 -6.634 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.022 4.616 -8.567 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.320 7.421 -7.647 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.745 6.987 -8.570 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.076 6.650 -5.256 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.696 6.018 -7.497 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.224 5.894 -3.187 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.902 5.570 -5.374 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.665 5.434 -3.237 1.00 0.00 H new ATOM 557 N GLY A 37 -0.634 4.722 -10.656 1.00 0.00 N ATOM 558 CA GLY A 37 0.018 4.816 -11.955 1.00 0.00 C ATOM 559 C GLY A 37 1.372 4.102 -11.966 1.00 0.00 C ATOM 560 O GLY A 37 2.342 4.636 -12.497 1.00 0.00 O ATOM 0 H GLY A 37 -1.081 3.820 -10.491 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.628 4.381 -12.718 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.158 5.865 -12.216 1.00 0.00 H new ATOM 564 N ARG A 38 1.447 2.890 -11.404 1.00 0.00 N ATOM 565 CA ARG A 38 2.677 2.117 -11.301 1.00 0.00 C ATOM 566 C ARG A 38 2.393 0.681 -11.737 1.00 0.00 C ATOM 567 O ARG A 38 1.807 -0.085 -10.969 1.00 0.00 O ATOM 568 CB ARG A 38 3.148 2.167 -9.848 1.00 0.00 C ATOM 569 CG ARG A 38 4.507 1.508 -9.607 1.00 0.00 C ATOM 570 CD ARG A 38 5.684 2.423 -9.975 1.00 0.00 C ATOM 571 NE ARG A 38 6.831 2.164 -9.091 1.00 0.00 N ATOM 572 CZ ARG A 38 7.587 1.058 -9.100 1.00 0.00 C ATOM 573 NH1 ARG A 38 7.461 0.171 -10.095 1.00 0.00 N ATOM 574 NH2 ARG A 38 8.456 0.844 -8.106 1.00 0.00 N ATOM 0 H ARG A 38 0.638 2.416 -11.003 1.00 0.00 H new ATOM 0 HA ARG A 38 3.458 2.524 -11.944 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.200 3.208 -9.530 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.403 1.679 -9.219 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.587 1.224 -8.558 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.570 0.590 -10.191 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.972 2.256 -11.013 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.381 3.467 -9.892 1.00 0.00 H new ATOM 0 HE ARG A 38 7.071 2.888 -8.414 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.790 0.338 -10.845 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.036 -0.671 -10.103 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.540 1.521 -7.347 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.035 0.004 -8.107 1.00 0.00 H new ATOM 588 N LYS A 39 2.809 0.327 -12.962 1.00 0.00 N ATOM 589 CA LYS A 39 2.675 -1.014 -13.530 1.00 0.00 C ATOM 590 C LYS A 39 3.092 -2.056 -12.494 1.00 0.00 C ATOM 591 O LYS A 39 4.276 -2.223 -12.208 1.00 0.00 O ATOM 592 CB LYS A 39 3.524 -1.151 -14.807 1.00 0.00 C ATOM 593 CG LYS A 39 2.977 -0.328 -15.982 1.00 0.00 C ATOM 594 CD LYS A 39 1.731 -0.961 -16.629 1.00 0.00 C ATOM 595 CE LYS A 39 2.004 -1.492 -18.046 1.00 0.00 C ATOM 596 NZ LYS A 39 2.907 -2.663 -18.051 1.00 0.00 N ATOM 0 H LYS A 39 3.259 0.986 -13.598 1.00 0.00 H new ATOM 0 HA LYS A 39 1.632 -1.180 -13.800 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.545 -0.835 -14.593 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.569 -2.201 -15.096 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.729 0.674 -15.633 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.756 -0.219 -16.736 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.376 -1.778 -16.001 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.932 -0.221 -16.670 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.059 -1.765 -18.516 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.443 -0.697 -18.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.058 -2.981 -19.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.820 -2.399 -17.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.479 -3.434 -17.499 1.00 0.00 H new ATOM 610 N THR A 40 2.105 -2.712 -11.892 1.00 0.00 N ATOM 611 CA THR A 40 2.300 -3.634 -10.810 1.00 0.00 C ATOM 612 C THR A 40 2.777 -4.968 -11.376 1.00 0.00 C ATOM 613 O THR A 40 2.789 -5.183 -12.587 1.00 0.00 O ATOM 614 CB THR A 40 0.939 -3.726 -10.134 1.00 0.00 C ATOM 615 OG1 THR A 40 0.458 -2.415 -9.873 1.00 0.00 O ATOM 616 CG2 THR A 40 0.934 -4.574 -8.875 1.00 0.00 C ATOM 0 H THR A 40 1.127 -2.605 -12.160 1.00 0.00 H new ATOM 0 HA THR A 40 3.058 -3.325 -10.090 1.00 0.00 H new ATOM 0 HB THR A 40 0.270 -4.241 -10.824 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.510 -2.233 -8.911 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.070 -4.591 -8.452 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.242 -5.591 -9.120 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.627 -4.150 -8.148 1.00 0.00 H new ATOM 624 N GLY A 41 3.181 -5.873 -10.490 1.00 0.00 N ATOM 625 CA GLY A 41 3.597 -7.204 -10.879 1.00 0.00 C ATOM 626 C GLY A 41 5.023 -7.238 -11.442 1.00 0.00 C ATOM 627 O GLY A 41 5.491 -8.282 -11.891 1.00 0.00 O ATOM 0 H GLY A 41 3.227 -5.699 -9.486 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.536 -7.866 -10.015 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.906 -7.592 -11.627 1.00 0.00 H new ATOM 631 N GLN A 42 5.738 -6.107 -11.414 1.00 0.00 N ATOM 632 CA GLN A 42 7.053 -5.972 -12.020 1.00 0.00 C ATOM 633 C GLN A 42 7.821 -4.876 -11.281 1.00 0.00 C ATOM 634 O GLN A 42 7.808 -3.713 -11.678 1.00 0.00 O ATOM 635 CB GLN A 42 6.879 -5.684 -13.519 1.00 0.00 C ATOM 636 CG GLN A 42 8.209 -5.677 -14.289 1.00 0.00 C ATOM 637 CD GLN A 42 8.645 -4.269 -14.688 1.00 0.00 C ATOM 638 OE1 GLN A 42 7.968 -3.603 -15.464 1.00 0.00 O ATOM 639 NE2 GLN A 42 9.791 -3.808 -14.191 1.00 0.00 N ATOM 0 H GLN A 42 5.409 -5.254 -10.962 1.00 0.00 H new ATOM 0 HA GLN A 42 7.635 -6.889 -11.935 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.219 -6.435 -13.953 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.389 -4.718 -13.643 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.984 -6.133 -13.673 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.110 -6.291 -15.184 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.335 -4.382 -13.547 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.125 -2.881 -14.454 1.00 0.00 H new ATOM 648 N ALA A 43 8.476 -5.249 -10.181 1.00 0.00 N ATOM 649 CA ALA A 43 9.250 -4.323 -9.368 1.00 0.00 C ATOM 650 C ALA A 43 10.735 -4.451 -9.722 1.00 0.00 C ATOM 651 O ALA A 43 11.226 -5.576 -9.803 1.00 0.00 O ATOM 652 CB ALA A 43 9.037 -4.649 -7.896 1.00 0.00 C ATOM 0 H ALA A 43 8.482 -6.207 -9.831 1.00 0.00 H new ATOM 0 HA ALA A 43 8.924 -3.301 -9.562 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.615 -3.958 -7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.979 -4.553 -7.652 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.364 -5.670 -7.698 1.00 0.00 H new ATOM 658 N PRO A 44 11.455 -3.339 -9.942 1.00 0.00 N ATOM 659 CA PRO A 44 12.855 -3.378 -10.334 1.00 0.00 C ATOM 660 C PRO A 44 13.781 -3.727 -9.171 1.00 0.00 C ATOM 661 O PRO A 44 14.680 -4.549 -9.314 1.00 0.00 O ATOM 662 CB PRO A 44 13.147 -1.998 -10.933 1.00 0.00 C ATOM 663 CG PRO A 44 12.143 -1.073 -10.243 1.00 0.00 C ATOM 664 CD PRO A 44 10.938 -1.981 -9.992 1.00 0.00 C ATOM 0 HA PRO A 44 13.043 -4.170 -11.059 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.174 -1.688 -10.739 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.013 -1.996 -12.015 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.542 -0.669 -9.313 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.881 -0.223 -10.873 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.442 -1.719 -9.058 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.199 -1.875 -10.786 1.00 0.00 H new ATOM 672 N GLY A 45 13.579 -3.064 -8.036 1.00 0.00 N ATOM 673 CA GLY A 45 14.512 -3.106 -6.917 1.00 0.00 C ATOM 674 C GLY A 45 14.241 -4.286 -5.986 1.00 0.00 C ATOM 675 O GLY A 45 15.062 -5.188 -5.848 1.00 0.00 O ATOM 0 H GLY A 45 12.760 -2.480 -7.867 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.531 -3.172 -7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.442 -2.176 -6.353 1.00 0.00 H new ATOM 679 N PHE A 46 13.084 -4.253 -5.324 1.00 0.00 N ATOM 680 CA PHE A 46 12.584 -5.292 -4.433 1.00 0.00 C ATOM 681 C PHE A 46 11.256 -5.725 -5.025 1.00 0.00 C ATOM 682 O PHE A 46 10.479 -4.859 -5.419 1.00 0.00 O ATOM 683 CB PHE A 46 12.400 -4.709 -3.021 1.00 0.00 C ATOM 684 CG PHE A 46 11.156 -5.138 -2.254 1.00 0.00 C ATOM 685 CD1 PHE A 46 9.947 -4.457 -2.463 1.00 0.00 C ATOM 686 CD2 PHE A 46 11.189 -6.211 -1.344 1.00 0.00 C ATOM 687 CE1 PHE A 46 8.785 -4.871 -1.800 1.00 0.00 C ATOM 688 CE2 PHE A 46 10.044 -6.554 -0.602 1.00 0.00 C ATOM 689 CZ PHE A 46 8.836 -5.888 -0.836 1.00 0.00 C ATOM 0 H PHE A 46 12.443 -3.463 -5.400 1.00 0.00 H new ATOM 0 HA PHE A 46 13.267 -6.137 -4.345 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.274 -4.977 -2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.391 -3.622 -3.102 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.913 -3.613 -3.136 1.00 0.00 H new ATOM 0 HD2 PHE A 46 12.100 -6.776 -1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.840 -4.402 -2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.097 -7.330 0.147 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.950 -6.155 -0.279 1.00 0.00 H new ATOM 699 N THR A 47 11.003 -7.032 -5.086 1.00 0.00 N ATOM 700 CA THR A 47 9.694 -7.569 -5.409 1.00 0.00 C ATOM 701 C THR A 47 9.190 -8.395 -4.226 1.00 0.00 C ATOM 702 O THR A 47 9.695 -8.292 -3.112 1.00 0.00 O ATOM 703 CB THR A 47 9.717 -8.311 -6.756 1.00 0.00 C ATOM 704 OG1 THR A 47 8.393 -8.569 -7.201 1.00 0.00 O ATOM 705 CG2 THR A 47 10.507 -9.616 -6.675 1.00 0.00 C ATOM 0 H THR A 47 11.709 -7.747 -4.911 1.00 0.00 H new ATOM 0 HA THR A 47 8.972 -6.766 -5.558 1.00 0.00 H new ATOM 0 HB THR A 47 10.219 -7.664 -7.475 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.416 -8.893 -8.126 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.498 -10.108 -7.648 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.536 -9.401 -6.387 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.052 -10.272 -5.933 1.00 0.00 H new ATOM 713 N TYR A 48 8.164 -9.193 -4.486 1.00 0.00 N ATOM 714 CA TYR A 48 7.265 -9.762 -3.500 1.00 0.00 C ATOM 715 C TYR A 48 6.844 -11.169 -3.915 1.00 0.00 C ATOM 716 O TYR A 48 7.315 -11.691 -4.923 1.00 0.00 O ATOM 717 CB TYR A 48 6.051 -8.834 -3.328 1.00 0.00 C ATOM 718 CG TYR A 48 5.922 -7.683 -4.311 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.519 -6.450 -4.010 1.00 0.00 C ATOM 720 CD2 TYR A 48 5.180 -7.828 -5.495 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.411 -5.371 -4.902 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.991 -6.722 -6.340 1.00 0.00 C ATOM 723 CZ TYR A 48 5.628 -5.502 -6.059 1.00 0.00 C ATOM 724 OH TYR A 48 5.679 -4.542 -7.021 1.00 0.00 O ATOM 0 H TYR A 48 7.927 -9.473 -5.438 1.00 0.00 H new ATOM 0 HA TYR A 48 7.774 -9.846 -2.540 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.148 -9.441 -3.395 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.082 -8.418 -2.321 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.065 -6.330 -3.086 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.756 -8.787 -5.755 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.928 -4.445 -4.699 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.354 -6.810 -7.208 1.00 0.00 H new ATOM 0 HH TYR A 48 5.078 -4.784 -7.757 1.00 0.00 H new ATOM 734 N THR A 49 5.952 -11.774 -3.125 1.00 0.00 N ATOM 735 CA THR A 49 5.368 -13.070 -3.435 1.00 0.00 C ATOM 736 C THR A 49 4.786 -13.077 -4.846 1.00 0.00 C ATOM 737 O THR A 49 4.168 -12.100 -5.259 1.00 0.00 O ATOM 738 CB THR A 49 4.247 -13.396 -2.441 1.00 0.00 C ATOM 739 OG1 THR A 49 3.280 -12.359 -2.409 1.00 0.00 O ATOM 740 CG2 THR A 49 4.793 -13.638 -1.035 1.00 0.00 C ATOM 0 H THR A 49 5.617 -11.372 -2.250 1.00 0.00 H new ATOM 0 HA THR A 49 6.158 -13.818 -3.365 1.00 0.00 H new ATOM 0 HB THR A 49 3.771 -14.314 -2.786 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.384 -12.744 -2.511 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.969 -13.866 -0.359 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.489 -14.477 -1.054 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.311 -12.744 -0.687 1.00 0.00 H new ATOM 748 N ASP A 50 4.917 -14.202 -5.552 1.00 0.00 N ATOM 749 CA ASP A 50 4.355 -14.411 -6.882 1.00 0.00 C ATOM 750 C ASP A 50 2.860 -14.131 -6.914 1.00 0.00 C ATOM 751 O ASP A 50 2.352 -13.674 -7.926 1.00 0.00 O ATOM 752 CB ASP A 50 4.676 -15.823 -7.390 1.00 0.00 C ATOM 753 CG ASP A 50 6.046 -15.861 -8.055 1.00 0.00 C ATOM 754 OD1 ASP A 50 6.180 -15.216 -9.119 1.00 0.00 O ATOM 755 OD2 ASP A 50 6.936 -16.511 -7.471 1.00 0.00 O ATOM 0 H ASP A 50 5.430 -15.011 -5.203 1.00 0.00 H new ATOM 0 HA ASP A 50 4.824 -13.695 -7.557 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.651 -16.528 -6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.913 -16.141 -8.101 1.00 0.00 H new ATOM 760 N ALA A 51 2.140 -14.350 -5.817 1.00 0.00 N ATOM 761 CA ALA A 51 0.727 -14.010 -5.756 1.00 0.00 C ATOM 762 C ALA A 51 0.496 -12.520 -6.010 1.00 0.00 C ATOM 763 O ALA A 51 -0.452 -12.145 -6.698 1.00 0.00 O ATOM 764 CB ALA A 51 0.175 -14.440 -4.397 1.00 0.00 C ATOM 0 H ALA A 51 2.514 -14.761 -4.961 1.00 0.00 H new ATOM 0 HA ALA A 51 0.195 -14.542 -6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.884 -14.190 -4.339 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.301 -15.516 -4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.714 -13.921 -3.605 1.00 0.00 H new ATOM 770 N ASN A 52 1.362 -11.664 -5.467 1.00 0.00 N ATOM 771 CA ASN A 52 1.290 -10.236 -5.729 1.00 0.00 C ATOM 772 C ASN A 52 1.896 -9.945 -7.095 1.00 0.00 C ATOM 773 O ASN A 52 1.291 -9.262 -7.920 1.00 0.00 O ATOM 774 CB ASN A 52 2.003 -9.481 -4.611 1.00 0.00 C ATOM 775 CG ASN A 52 1.755 -7.974 -4.682 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.779 -7.364 -5.746 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.480 -7.365 -3.538 1.00 0.00 N ATOM 0 H ASN A 52 2.120 -11.940 -4.843 1.00 0.00 H new ATOM 0 HA ASN A 52 0.253 -9.900 -5.747 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.664 -9.858 -3.646 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.074 -9.674 -4.670 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.281 -6.365 -3.528 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.467 -7.897 -2.668 1.00 0.00 H new ATOM 784 N LYS A 53 3.077 -10.506 -7.360 1.00 0.00 N ATOM 785 CA LYS A 53 3.806 -10.276 -8.593 1.00 0.00 C ATOM 786 C LYS A 53 2.944 -10.644 -9.811 1.00 0.00 C ATOM 787 O LYS A 53 3.054 -10.044 -10.874 1.00 0.00 O ATOM 788 CB LYS A 53 5.131 -11.037 -8.575 1.00 0.00 C ATOM 789 CG LYS A 53 6.090 -10.399 -9.577 1.00 0.00 C ATOM 790 CD LYS A 53 7.394 -11.190 -9.648 1.00 0.00 C ATOM 791 CE LYS A 53 8.163 -10.694 -10.877 1.00 0.00 C ATOM 792 NZ LYS A 53 9.425 -11.432 -11.069 1.00 0.00 N ATOM 0 H LYS A 53 3.552 -11.137 -6.715 1.00 0.00 H new ATOM 0 HA LYS A 53 4.039 -9.214 -8.675 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.563 -11.015 -7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.966 -12.084 -8.828 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.625 -10.364 -10.562 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.298 -9.369 -9.286 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.982 -11.043 -8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.191 -12.258 -9.727 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.539 -10.804 -11.764 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.377 -9.631 -10.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.916 -11.067 -11.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.031 -11.307 -10.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.219 -12.443 -11.199 1.00 0.00 H new ATOM 806 N ASN A 54 2.068 -11.632 -9.649 1.00 0.00 N ATOM 807 CA ASN A 54 1.189 -12.120 -10.693 1.00 0.00 C ATOM 808 C ASN A 54 0.139 -11.076 -11.100 1.00 0.00 C ATOM 809 O ASN A 54 -0.396 -11.157 -12.200 1.00 0.00 O ATOM 810 CB ASN A 54 0.512 -13.415 -10.226 1.00 0.00 C ATOM 811 CG ASN A 54 -0.467 -13.964 -11.256 1.00 0.00 C ATOM 812 OD1 ASN A 54 -1.678 -13.890 -11.073 1.00 0.00 O ATOM 813 ND2 ASN A 54 0.048 -14.546 -12.336 1.00 0.00 N ATOM 0 H ASN A 54 1.951 -12.124 -8.763 1.00 0.00 H new ATOM 0 HA ASN A 54 1.793 -12.321 -11.578 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.275 -14.165 -10.018 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.016 -13.229 -9.291 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.569 -14.947 -13.042 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.060 -14.591 -12.458 1.00 0.00 H new ATOM 820 N LYS A 55 -0.187 -10.118 -10.218 1.00 0.00 N ATOM 821 CA LYS A 55 -1.326 -9.217 -10.391 1.00 0.00 C ATOM 822 C LYS A 55 -1.328 -8.505 -11.747 1.00 0.00 C ATOM 823 O LYS A 55 -2.342 -8.487 -12.440 1.00 0.00 O ATOM 824 CB LYS A 55 -1.314 -8.153 -9.288 1.00 0.00 C ATOM 825 CG LYS A 55 -1.730 -8.660 -7.902 1.00 0.00 C ATOM 826 CD LYS A 55 -3.146 -8.210 -7.500 1.00 0.00 C ATOM 827 CE LYS A 55 -4.279 -9.059 -8.097 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.560 -8.868 -7.372 1.00 0.00 N ATOM 0 H LYS A 55 0.339 -9.950 -9.361 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.221 -9.836 -10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.311 -7.732 -9.220 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.981 -7.341 -9.578 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.683 -9.749 -7.890 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.016 -8.302 -7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.226 -8.233 -6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.285 -7.174 -7.808 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.414 -8.797 -9.146 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.998 -10.112 -8.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.351 -8.922 -8.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.666 -9.612 -6.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.562 -7.936 -6.910 1.00 0.00 H new ATOM 842 N GLY A 56 -0.220 -7.838 -12.077 1.00 0.00 N ATOM 843 CA GLY A 56 -0.075 -7.117 -13.335 1.00 0.00 C ATOM 844 C GLY A 56 -1.026 -5.922 -13.492 1.00 0.00 C ATOM 845 O GLY A 56 -1.288 -5.505 -14.619 1.00 0.00 O ATOM 0 H GLY A 56 0.602 -7.785 -11.475 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.952 -6.763 -13.421 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.243 -7.810 -14.159 1.00 0.00 H new ATOM 849 N ILE A 57 -1.533 -5.351 -12.390 1.00 0.00 N ATOM 850 CA ILE A 57 -2.378 -4.159 -12.435 1.00 0.00 C ATOM 851 C ILE A 57 -1.508 -2.890 -12.542 1.00 0.00 C ATOM 852 O ILE A 57 -0.453 -2.915 -13.176 1.00 0.00 O ATOM 853 CB ILE A 57 -3.337 -4.152 -11.233 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.590 -4.094 -9.894 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.297 -5.350 -11.266 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.384 -3.308 -8.861 1.00 0.00 C ATOM 0 H ILE A 57 -1.367 -5.704 -11.448 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.002 -4.173 -13.329 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.929 -3.241 -11.318 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.412 -5.105 -9.529 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.614 -3.630 -10.038 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.959 -5.310 -10.401 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.891 -5.315 -12.179 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.723 -6.277 -11.242 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.833 -3.282 -7.921 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.539 -2.290 -9.219 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.350 -3.788 -8.702 1.00 0.00 H new ATOM 868 N THR A 58 -1.914 -1.755 -11.957 1.00 0.00 N ATOM 869 CA THR A 58 -1.195 -0.497 -12.029 1.00 0.00 C ATOM 870 C THR A 58 -1.394 0.297 -10.715 1.00 0.00 C ATOM 871 O THR A 58 -1.502 1.521 -10.729 1.00 0.00 O ATOM 872 CB THR A 58 -1.693 0.206 -13.304 1.00 0.00 C ATOM 873 OG1 THR A 58 -1.557 -0.663 -14.416 1.00 0.00 O ATOM 874 CG2 THR A 58 -0.915 1.467 -13.629 1.00 0.00 C ATOM 0 H THR A 58 -2.773 -1.695 -11.410 1.00 0.00 H new ATOM 0 HA THR A 58 -0.114 -0.614 -12.109 1.00 0.00 H new ATOM 0 HB THR A 58 -2.733 0.472 -13.114 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.877 -0.212 -15.225 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.314 1.916 -14.538 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.007 2.174 -12.804 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.136 1.218 -13.778 1.00 0.00 H new ATOM 882 N TRP A 59 -1.479 -0.427 -9.587 1.00 0.00 N ATOM 883 CA TRP A 59 -1.861 0.043 -8.251 1.00 0.00 C ATOM 884 C TRP A 59 -2.722 1.307 -8.247 1.00 0.00 C ATOM 885 O TRP A 59 -2.289 2.369 -7.811 1.00 0.00 O ATOM 886 CB TRP A 59 -0.634 0.156 -7.340 1.00 0.00 C ATOM 887 CG TRP A 59 -0.210 -1.146 -6.745 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.961 -1.774 -6.969 1.00 0.00 C ATOM 889 CD2 TRP A 59 -0.941 -1.984 -5.801 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.987 -2.956 -6.267 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.161 -3.145 -5.529 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.182 -1.875 -5.134 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.589 -4.147 -4.647 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.597 -2.848 -4.208 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.796 -3.974 -3.954 1.00 0.00 C ATOM 0 H TRP A 59 -1.267 -1.425 -9.588 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.518 -0.722 -7.837 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.196 0.572 -7.912 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.852 0.859 -6.536 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.755 -1.406 -7.601 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.765 -3.615 -6.290 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -2.822 -1.030 -5.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.002 -5.039 -4.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.537 -2.729 -3.689 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.110 -4.706 -3.225 1.00 0.00 H new ATOM 906 N LYS A 60 -3.967 1.166 -8.703 1.00 0.00 N ATOM 907 CA LYS A 60 -4.906 2.272 -8.830 1.00 0.00 C ATOM 908 C LYS A 60 -5.852 2.356 -7.625 1.00 0.00 C ATOM 909 O LYS A 60 -5.938 1.431 -6.810 1.00 0.00 O ATOM 910 CB LYS A 60 -5.685 2.122 -10.146 1.00 0.00 C ATOM 911 CG LYS A 60 -6.362 0.747 -10.278 1.00 0.00 C ATOM 912 CD LYS A 60 -5.716 -0.142 -11.351 1.00 0.00 C ATOM 913 CE LYS A 60 -6.112 0.271 -12.780 1.00 0.00 C ATOM 914 NZ LYS A 60 -7.548 0.050 -13.059 1.00 0.00 N ATOM 0 H LYS A 60 -4.353 0.269 -8.997 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.347 3.208 -8.849 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.443 2.903 -10.207 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.006 2.271 -10.985 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.321 0.235 -9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.416 0.889 -10.518 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.632 -0.096 -11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.008 -1.179 -11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.875 1.324 -12.929 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.515 -0.294 -13.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.726 0.165 -14.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.814 -0.912 -12.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.115 0.742 -12.529 1.00 0.00 H new ATOM 928 N GLU A 61 -6.644 3.435 -7.594 1.00 0.00 N ATOM 929 CA GLU A 61 -7.618 3.800 -6.560 1.00 0.00 C ATOM 930 C GLU A 61 -8.806 2.853 -6.397 1.00 0.00 C ATOM 931 O GLU A 61 -9.765 3.179 -5.702 1.00 0.00 O ATOM 932 CB GLU A 61 -8.080 5.244 -6.825 1.00 0.00 C ATOM 933 CG GLU A 61 -8.823 5.440 -8.153 1.00 0.00 C ATOM 934 CD GLU A 61 -8.765 6.907 -8.564 1.00 0.00 C ATOM 935 OE1 GLU A 61 -7.648 7.332 -8.935 1.00 0.00 O ATOM 936 OE2 GLU A 61 -9.812 7.580 -8.462 1.00 0.00 O ATOM 0 H GLU A 61 -6.618 4.125 -8.345 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.104 3.714 -5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.730 5.560 -6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.209 5.899 -6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.374 4.818 -8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.861 5.122 -8.050 1.00 0.00 H new ATOM 943 N GLU A 62 -8.716 1.670 -6.993 1.00 0.00 N ATOM 944 CA GLU A 62 -9.744 0.658 -6.996 1.00 0.00 C ATOM 945 C GLU A 62 -9.181 -0.547 -6.244 1.00 0.00 C ATOM 946 O GLU A 62 -9.724 -1.036 -5.257 1.00 0.00 O ATOM 947 CB GLU A 62 -10.074 0.316 -8.464 1.00 0.00 C ATOM 948 CG GLU A 62 -10.098 1.554 -9.378 1.00 0.00 C ATOM 949 CD GLU A 62 -10.445 1.156 -10.808 1.00 0.00 C ATOM 950 OE1 GLU A 62 -11.650 1.039 -11.101 1.00 0.00 O ATOM 951 OE2 GLU A 62 -9.486 0.927 -11.582 1.00 0.00 O ATOM 0 H GLU A 62 -7.883 1.386 -7.508 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.664 0.985 -6.511 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.337 -0.393 -8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.044 -0.180 -8.507 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.828 2.273 -9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.126 2.047 -9.357 1.00 0.00 H new ATOM 958 N THR A 63 -8.023 -0.996 -6.715 1.00 0.00 N ATOM 959 CA THR A 63 -7.335 -2.166 -6.234 1.00 0.00 C ATOM 960 C THR A 63 -6.697 -1.894 -4.875 1.00 0.00 C ATOM 961 O THR A 63 -6.618 -2.798 -4.049 1.00 0.00 O ATOM 962 CB THR A 63 -6.322 -2.548 -7.312 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.569 -1.413 -7.712 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.076 -3.081 -8.540 1.00 0.00 C ATOM 0 H THR A 63 -7.526 -0.528 -7.473 1.00 0.00 H new ATOM 0 HA THR A 63 -8.015 -3.001 -6.066 1.00 0.00 H new ATOM 0 HB THR A 63 -5.650 -3.305 -6.907 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.698 -1.424 -7.263 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.361 -3.356 -9.315 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.659 -3.957 -8.257 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.744 -2.308 -8.921 1.00 0.00 H new ATOM 972 N LEU A 64 -6.261 -0.654 -4.622 1.00 0.00 N ATOM 973 CA LEU A 64 -5.820 -0.270 -3.291 1.00 0.00 C ATOM 974 C LEU A 64 -6.930 -0.480 -2.254 1.00 0.00 C ATOM 975 O LEU A 64 -6.667 -1.042 -1.192 1.00 0.00 O ATOM 976 CB LEU A 64 -5.320 1.183 -3.307 1.00 0.00 C ATOM 977 CG LEU A 64 -3.782 1.269 -3.350 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.289 1.945 -4.630 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.279 2.033 -2.127 1.00 0.00 C ATOM 0 H LEU A 64 -6.207 0.089 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.991 -0.913 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.735 1.699 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.687 1.701 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.385 0.254 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.200 1.987 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.625 1.374 -5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.691 2.957 -4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.191 2.094 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.699 3.039 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.588 1.512 -1.220 1.00 0.00 H new ATOM 991 N MET A 65 -8.161 -0.054 -2.558 1.00 0.00 N ATOM 992 CA MET A 65 -9.298 -0.244 -1.669 1.00 0.00 C ATOM 993 C MET A 65 -9.445 -1.731 -1.359 1.00 0.00 C ATOM 994 O MET A 65 -9.458 -2.131 -0.195 1.00 0.00 O ATOM 995 CB MET A 65 -10.588 0.286 -2.315 1.00 0.00 C ATOM 996 CG MET A 65 -10.547 1.777 -2.674 1.00 0.00 C ATOM 997 SD MET A 65 -10.354 2.947 -1.307 1.00 0.00 S ATOM 998 CE MET A 65 -11.720 2.452 -0.245 1.00 0.00 C ATOM 0 H MET A 65 -8.390 0.430 -3.426 1.00 0.00 H new ATOM 0 HA MET A 65 -9.126 0.312 -0.747 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.790 -0.288 -3.219 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.420 0.111 -1.633 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.726 1.935 -3.373 1.00 0.00 H new ATOM 0 HG3 MET A 65 -11.468 2.023 -3.203 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.893 3.221 0.508 1.00 0.00 H new ATOM 0 HE2 MET A 65 -12.620 2.323 -0.846 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.475 1.511 0.248 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.547 -2.544 -2.417 1.00 0.00 N ATOM 1009 CA GLU A 66 -9.773 -3.976 -2.282 1.00 0.00 C ATOM 1010 C GLU A 66 -8.675 -4.611 -1.418 1.00 0.00 C ATOM 1011 O GLU A 66 -8.958 -5.360 -0.488 1.00 0.00 O ATOM 1012 CB GLU A 66 -9.883 -4.611 -3.677 1.00 0.00 C ATOM 1013 CG GLU A 66 -10.504 -6.014 -3.606 1.00 0.00 C ATOM 1014 CD GLU A 66 -10.687 -6.659 -4.976 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -9.986 -6.229 -5.918 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.515 -7.593 -5.044 1.00 0.00 O ATOM 0 H GLU A 66 -9.475 -2.224 -3.383 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.715 -4.161 -1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.490 -3.975 -4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.893 -4.672 -4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.871 -6.654 -2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.472 -5.951 -3.109 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.414 -4.282 -1.692 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.275 -4.810 -0.956 1.00 0.00 C ATOM 1025 C TYR A 67 -6.358 -4.446 0.519 1.00 0.00 C ATOM 1026 O TYR A 67 -6.398 -5.332 1.364 1.00 0.00 O ATOM 1027 CB TYR A 67 -4.991 -4.255 -1.572 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.700 -4.776 -0.974 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.483 -6.159 -0.834 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.642 -3.888 -0.731 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.202 -6.661 -0.558 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.368 -4.393 -0.438 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.135 -5.774 -0.382 1.00 0.00 C ATOM 1034 OH TYR A 67 0.122 -6.254 -0.185 1.00 0.00 O ATOM 0 H TYR A 67 -7.156 -3.636 -2.438 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.278 -5.898 -1.024 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.994 -4.481 -2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.003 -3.169 -1.476 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.312 -6.843 -0.940 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.808 -2.822 -0.769 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.041 -7.726 -0.482 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.554 -3.708 -0.253 1.00 0.00 H new ATOM 0 HH TYR A 67 0.494 -5.870 0.636 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.369 -3.155 0.845 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.392 -2.721 2.235 1.00 0.00 C ATOM 1046 C LEU A 68 -7.620 -3.254 2.978 1.00 0.00 C ATOM 1047 O LEU A 68 -7.550 -3.492 4.184 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.278 -1.191 2.331 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.830 -0.667 2.319 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -4.086 -1.072 3.592 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.020 -1.120 1.102 1.00 0.00 C ATOM 0 H LEU A 68 -6.362 -2.395 0.165 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.521 -3.148 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.822 -0.744 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.766 -0.858 3.247 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.921 0.418 2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.066 -0.688 3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.599 -0.658 4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.062 -2.159 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.011 -0.712 1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.970 -2.209 1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.501 -0.763 0.191 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.739 -3.464 2.279 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.887 -4.143 2.856 1.00 0.00 C ATOM 1065 C GLU A 69 -9.555 -5.604 3.187 1.00 0.00 C ATOM 1066 O GLU A 69 -9.819 -6.060 4.300 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.085 -4.044 1.900 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.402 -4.437 2.585 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.438 -4.892 1.575 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -13.382 -6.093 1.230 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.255 -4.032 1.185 1.00 0.00 O ATOM 0 H GLU A 69 -8.868 -3.170 1.311 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.151 -3.653 3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.163 -3.025 1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.917 -4.692 1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.216 -5.236 3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.789 -3.587 3.147 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.030 -6.344 2.208 1.00 0.00 N ATOM 1079 CA ASN A 70 -8.941 -7.798 2.230 1.00 0.00 C ATOM 1080 C ASN A 70 -7.627 -8.302 1.638 1.00 0.00 C ATOM 1081 O ASN A 70 -7.646 -8.998 0.632 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.148 -8.408 1.491 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.381 -7.954 0.039 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -9.688 -8.368 -0.883 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -11.422 -7.173 -0.225 1.00 0.00 N ATOM 0 H ASN A 70 -8.646 -5.933 1.357 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.960 -8.119 3.271 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.034 -9.492 1.493 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.046 -8.181 2.065 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.640 -6.922 -1.189 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.004 -6.824 0.537 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.466 -8.054 2.252 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.203 -8.254 1.562 1.00 0.00 C ATOM 1094 C PRO A 71 -5.019 -9.704 1.102 1.00 0.00 C ATOM 1095 O PRO A 71 -4.744 -9.967 -0.070 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.119 -7.731 2.506 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.790 -7.733 3.879 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.271 -7.502 3.579 1.00 0.00 C ATOM 0 HA PRO A 71 -5.155 -7.701 0.624 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.236 -8.370 2.493 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.792 -6.730 2.223 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.632 -8.679 4.397 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.387 -6.948 4.519 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.906 -7.999 4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.521 -6.441 3.608 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.256 -10.643 2.022 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.227 -12.077 1.768 1.00 0.00 C ATOM 1108 C LYS A 72 -6.235 -12.562 0.711 1.00 0.00 C ATOM 1109 O LYS A 72 -6.133 -13.706 0.274 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.443 -12.815 3.098 1.00 0.00 C ATOM 1111 CG LYS A 72 -6.888 -12.715 3.613 1.00 0.00 C ATOM 1112 CD LYS A 72 -7.046 -13.487 4.930 1.00 0.00 C ATOM 1113 CE LYS A 72 -8.526 -13.525 5.344 1.00 0.00 C ATOM 1114 NZ LYS A 72 -8.736 -14.277 6.599 1.00 0.00 N ATOM 0 H LYS A 72 -5.479 -10.415 2.991 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.249 -12.304 1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.180 -13.865 2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.767 -12.406 3.848 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.155 -11.669 3.764 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.574 -13.114 2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.666 -14.502 4.814 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.453 -13.013 5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.893 -12.506 5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.113 -13.981 4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.748 -14.276 6.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.410 -15.257 6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.198 -13.828 7.367 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.257 -11.763 0.373 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.258 -12.129 -0.621 1.00 0.00 C ATOM 1130 C LYS A 73 -7.895 -11.447 -1.942 1.00 0.00 C ATOM 1131 O LYS A 73 -7.711 -12.140 -2.941 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.645 -11.734 -0.112 1.00 0.00 C ATOM 1133 CG LYS A 73 -10.802 -12.238 -0.981 1.00 0.00 C ATOM 1134 CD LYS A 73 -12.075 -11.464 -0.603 1.00 0.00 C ATOM 1135 CE LYS A 73 -13.207 -11.726 -1.605 1.00 0.00 C ATOM 1136 NZ LYS A 73 -14.334 -10.788 -1.412 1.00 0.00 N ATOM 0 H LYS A 73 -7.407 -10.843 0.787 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.277 -13.205 -0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.771 -12.119 0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.700 -10.647 -0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.572 -12.095 -2.037 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.951 -13.307 -0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.397 -11.756 0.397 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.857 -10.397 -0.569 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.824 -11.631 -2.621 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.562 -12.750 -1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.080 -10.995 -2.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.716 -10.897 -0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.000 -9.812 -1.543 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.768 -10.111 -1.958 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.247 -9.371 -3.102 1.00 0.00 C ATOM 1152 C TYR A 74 -6.047 -10.057 -3.769 1.00 0.00 C ATOM 1153 O TYR A 74 -5.957 -10.086 -5.001 1.00 0.00 O ATOM 1154 CB TYR A 74 -6.827 -7.988 -2.618 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.100 -7.160 -3.655 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -6.789 -6.583 -4.734 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -4.699 -7.124 -3.634 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -6.077 -5.889 -5.729 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -3.997 -6.375 -4.586 1.00 0.00 C ATOM 1160 CZ TYR A 74 -4.694 -5.693 -5.584 1.00 0.00 C ATOM 1161 OH TYR A 74 -3.985 -5.035 -6.533 1.00 0.00 O ATOM 0 H TYR A 74 -8.027 -9.517 -1.170 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.035 -9.318 -3.853 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.714 -7.445 -2.293 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.185 -8.101 -1.745 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.863 -6.672 -4.800 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.158 -7.677 -2.880 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.591 -5.509 -6.600 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.919 -6.325 -4.548 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.480 -4.305 -6.117 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.099 -10.541 -2.960 1.00 0.00 N ATOM 1172 CA ILE A 75 -3.976 -11.359 -3.419 1.00 0.00 C ATOM 1173 C ILE A 75 -4.028 -12.729 -2.741 1.00 0.00 C ATOM 1174 O ILE A 75 -4.056 -12.785 -1.512 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.641 -10.645 -3.135 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -2.412 -9.610 -4.238 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.453 -11.618 -3.157 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -1.434 -8.521 -3.801 1.00 0.00 C ATOM 0 H ILE A 75 -5.092 -10.372 -1.954 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.051 -11.504 -4.497 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.702 -10.192 -2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.028 -10.107 -5.129 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.364 -9.155 -4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.532 -11.072 -2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.597 -12.385 -2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.386 -12.088 -4.138 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.299 -7.806 -4.613 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.830 -8.006 -2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.474 -8.973 -3.552 1.00 0.00 H new ATOM 1190 N PRO A 76 -3.964 -13.836 -3.503 1.00 0.00 N ATOM 1191 CA PRO A 76 -3.960 -15.181 -2.946 1.00 0.00 C ATOM 1192 C PRO A 76 -2.593 -15.511 -2.325 1.00 0.00 C ATOM 1193 O PRO A 76 -1.853 -16.342 -2.846 1.00 0.00 O ATOM 1194 CB PRO A 76 -4.317 -16.091 -4.126 1.00 0.00 C ATOM 1195 CG PRO A 76 -3.721 -15.360 -5.327 1.00 0.00 C ATOM 1196 CD PRO A 76 -3.928 -13.890 -4.960 1.00 0.00 C ATOM 0 HA PRO A 76 -4.672 -15.307 -2.130 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.890 -17.087 -4.009 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.395 -16.216 -4.226 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.666 -15.599 -5.464 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.230 -15.622 -6.254 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.120 -13.273 -5.353 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.856 -13.509 -5.387 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.268 -14.869 -1.199 1.00 0.00 N ATOM 1205 CA GLY A 77 -1.069 -15.150 -0.414 1.00 0.00 C ATOM 1206 C GLY A 77 -0.005 -14.067 -0.585 1.00 0.00 C ATOM 1207 O GLY A 77 1.085 -14.327 -1.090 1.00 0.00 O ATOM 0 H GLY A 77 -2.844 -14.126 -0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.337 -15.232 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.657 -16.113 -0.714 1.00 0.00 H new ATOM 1211 N THR A 78 -0.325 -12.853 -0.133 1.00 0.00 N ATOM 1212 CA THR A 78 0.602 -11.738 -0.044 1.00 0.00 C ATOM 1213 C THR A 78 1.586 -12.001 1.098 1.00 0.00 C ATOM 1214 O THR A 78 1.304 -12.792 1.999 1.00 0.00 O ATOM 1215 CB THR A 78 -0.193 -10.432 0.163 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.657 -9.374 0.537 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.276 -10.526 1.243 1.00 0.00 C ATOM 0 H THR A 78 -1.264 -12.618 0.189 1.00 0.00 H new ATOM 0 HA THR A 78 1.176 -11.634 -0.965 1.00 0.00 H new ATOM 0 HB THR A 78 -0.668 -10.252 -0.801 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.282 -8.526 0.220 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.789 -9.568 1.328 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.994 -11.300 0.972 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.816 -10.777 2.199 1.00 0.00 H new ATOM 1225 N LYS A 79 2.730 -11.314 1.083 1.00 0.00 N ATOM 1226 CA LYS A 79 3.621 -11.274 2.238 1.00 0.00 C ATOM 1227 C LYS A 79 3.095 -10.295 3.297 1.00 0.00 C ATOM 1228 O LYS A 79 3.557 -10.322 4.435 1.00 0.00 O ATOM 1229 CB LYS A 79 5.026 -10.846 1.801 1.00 0.00 C ATOM 1230 CG LYS A 79 6.123 -11.276 2.789 1.00 0.00 C ATOM 1231 CD LYS A 79 7.045 -12.309 2.126 1.00 0.00 C ATOM 1232 CE LYS A 79 8.001 -12.937 3.149 1.00 0.00 C ATOM 1233 NZ LYS A 79 8.942 -13.883 2.512 1.00 0.00 N ATOM 0 H LYS A 79 3.059 -10.777 0.280 1.00 0.00 H new ATOM 0 HA LYS A 79 3.662 -12.273 2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.241 -11.272 0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.051 -9.762 1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.702 -10.408 3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.671 -11.701 3.686 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.444 -13.089 1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.620 -11.831 1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.562 -12.150 3.653 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.424 -13.457 3.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.571 -14.286 3.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.408 -14.648 2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.510 -13.381 1.800 1.00 0.00 H new ATOM 1247 N MET A 80 2.192 -9.388 2.914 1.00 0.00 N ATOM 1248 CA MET A 80 1.663 -8.349 3.775 1.00 0.00 C ATOM 1249 C MET A 80 0.810 -8.959 4.882 1.00 0.00 C ATOM 1250 O MET A 80 0.104 -9.945 4.675 1.00 0.00 O ATOM 1251 CB MET A 80 0.856 -7.390 2.906 1.00 0.00 C ATOM 1252 CG MET A 80 0.246 -6.186 3.614 1.00 0.00 C ATOM 1253 SD MET A 80 0.254 -4.714 2.563 1.00 0.00 S ATOM 1254 CE MET A 80 -1.420 -4.048 2.786 1.00 0.00 C ATOM 0 H MET A 80 1.804 -9.363 1.971 1.00 0.00 H new ATOM 0 HA MET A 80 2.471 -7.804 4.264 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.502 -7.026 2.108 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.051 -7.952 2.433 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.778 -6.417 3.908 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.802 -5.982 4.529 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.528 -3.133 2.203 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.152 -4.782 2.448 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.587 -3.828 3.841 1.00 0.00 H new ATOM 1264 N ILE A 81 0.889 -8.354 6.066 1.00 0.00 N ATOM 1265 CA ILE A 81 0.310 -8.863 7.294 1.00 0.00 C ATOM 1266 C ILE A 81 -0.589 -7.761 7.840 1.00 0.00 C ATOM 1267 O ILE A 81 -0.135 -6.872 8.558 1.00 0.00 O ATOM 1268 CB ILE A 81 1.437 -9.228 8.274 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.514 -10.145 7.663 1.00 0.00 C ATOM 1270 CG2 ILE A 81 0.864 -9.839 9.562 1.00 0.00 C ATOM 1271 CD1 ILE A 81 2.020 -11.552 7.306 1.00 0.00 C ATOM 0 H ILE A 81 1.376 -7.467 6.194 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.276 -9.768 7.133 1.00 0.00 H new ATOM 0 HB ILE A 81 1.941 -8.292 8.516 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.908 -9.672 6.763 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.342 -10.232 8.367 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.680 -10.089 10.240 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.201 -9.120 10.042 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.304 -10.742 9.319 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.842 -12.130 6.882 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.653 -12.048 8.205 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.213 -11.480 6.577 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.864 -7.787 7.458 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.836 -6.801 7.889 1.00 0.00 C ATOM 1285 C PHE A 82 -4.213 -7.459 7.814 1.00 0.00 C ATOM 1286 O PHE A 82 -4.485 -8.172 6.850 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.702 -5.555 7.001 1.00 0.00 C ATOM 1288 CG PHE A 82 -3.288 -4.303 7.609 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.658 -3.710 8.719 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -4.427 -3.703 7.046 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -3.197 -2.549 9.299 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.943 -2.525 7.607 1.00 0.00 C ATOM 1293 CZ PHE A 82 -4.354 -1.964 8.755 1.00 0.00 C ATOM 0 H PHE A 82 -2.248 -8.499 6.837 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.677 -6.469 8.915 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.647 -5.384 6.789 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.192 -5.747 6.046 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.759 -4.148 9.126 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.904 -4.147 6.185 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.723 -2.106 10.162 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.798 -2.045 7.154 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.788 -1.089 9.216 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.045 -7.299 8.846 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.317 -8.003 8.969 1.00 0.00 C ATOM 1305 C ALA A 83 -7.336 -7.083 9.639 1.00 0.00 C ATOM 1306 O ALA A 83 -7.471 -7.085 10.860 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.120 -9.304 9.757 1.00 0.00 C ATOM 0 H ALA A 83 -4.850 -6.671 9.625 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.696 -8.272 7.983 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.074 -9.824 9.845 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.406 -9.941 9.235 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.740 -9.073 10.752 1.00 0.00 H new ATOM 1313 N GLY A 84 -8.045 -6.296 8.828 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.938 -5.252 9.307 1.00 0.00 C ATOM 1315 C GLY A 84 -8.187 -3.925 9.346 1.00 0.00 C ATOM 1316 O GLY A 84 -6.963 -3.911 9.439 1.00 0.00 O ATOM 0 H GLY A 84 -8.012 -6.370 7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.807 -5.172 8.653 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.309 -5.502 10.301 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.921 -2.813 9.229 1.00 0.00 N ATOM 1321 CA ILE A 85 -8.370 -1.477 9.108 1.00 0.00 C ATOM 1322 C ILE A 85 -9.001 -0.643 10.228 1.00 0.00 C ATOM 1323 O ILE A 85 -8.478 -0.628 11.340 1.00 0.00 O ATOM 1324 CB ILE A 85 -8.528 -1.018 7.638 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -7.881 0.342 7.372 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -9.940 -1.056 7.034 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -7.211 0.414 5.997 1.00 0.00 C ATOM 0 H ILE A 85 -9.941 -2.828 9.217 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.297 -1.380 9.270 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.984 -1.802 7.110 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.639 1.122 7.444 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.140 0.545 8.145 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.904 -0.709 6.001 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.320 -2.077 7.060 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.600 -0.409 7.611 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.768 1.400 5.859 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.433 -0.346 5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.955 0.239 5.220 1.00 0.00 H new ATOM 1339 N LYS A 86 -10.199 -0.092 10.010 1.00 0.00 N ATOM 1340 CA LYS A 86 -11.122 0.237 11.086 1.00 0.00 C ATOM 1341 C LYS A 86 -12.547 -0.041 10.612 1.00 0.00 C ATOM 1342 O LYS A 86 -13.099 -1.110 10.853 1.00 0.00 O ATOM 1343 CB LYS A 86 -10.985 1.695 11.568 1.00 0.00 C ATOM 1344 CG LYS A 86 -9.720 1.932 12.396 1.00 0.00 C ATOM 1345 CD LYS A 86 -9.633 3.357 12.965 1.00 0.00 C ATOM 1346 CE LYS A 86 -10.574 3.576 14.158 1.00 0.00 C ATOM 1347 NZ LYS A 86 -10.495 4.960 14.667 1.00 0.00 N ATOM 0 H LYS A 86 -10.551 0.136 9.080 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.878 -0.389 11.944 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -10.977 2.359 10.704 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.858 1.959 12.164 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.691 1.216 13.218 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.845 1.741 11.775 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.607 3.558 13.274 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.876 4.073 12.180 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.599 3.356 13.859 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.318 2.879 14.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.144 5.071 15.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.522 5.161 14.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.763 5.623 13.912 1.00 0.00 H new ATOM 1361 N LYS A 87 -13.141 0.947 9.939 1.00 0.00 N ATOM 1362 CA LYS A 87 -14.561 1.021 9.648 1.00 0.00 C ATOM 1363 C LYS A 87 -14.737 2.159 8.643 1.00 0.00 C ATOM 1364 O LYS A 87 -15.126 3.265 9.024 1.00 0.00 O ATOM 1365 CB LYS A 87 -15.328 1.285 10.958 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.847 1.427 10.760 1.00 0.00 C ATOM 1367 CD LYS A 87 -17.472 2.077 12.004 1.00 0.00 C ATOM 1368 CE LYS A 87 -18.894 2.579 11.709 1.00 0.00 C ATOM 1369 NZ LYS A 87 -19.440 3.387 12.820 1.00 0.00 N ATOM 0 H LYS A 87 -12.621 1.743 9.571 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.952 0.095 9.227 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.135 0.469 11.654 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.943 2.195 11.419 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.054 2.033 9.878 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.294 0.448 10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.500 1.355 12.820 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.850 2.909 12.335 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.885 3.176 10.797 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.548 1.727 11.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.400 3.705 12.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.473 2.810 13.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.831 4.215 12.979 1.00 0.00 H new ATOM 1383 N LYS A 88 -14.403 1.887 7.375 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.507 2.798 6.232 1.00 0.00 C ATOM 1385 C LYS A 88 -13.552 3.994 6.347 1.00 0.00 C ATOM 1386 O LYS A 88 -12.691 4.165 5.493 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.970 3.215 5.965 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.601 2.497 4.758 1.00 0.00 C ATOM 1389 CD LYS A 88 -16.539 3.305 3.449 1.00 0.00 C ATOM 1390 CE LYS A 88 -15.126 3.479 2.869 1.00 0.00 C ATOM 1391 NZ LYS A 88 -15.145 4.234 1.599 1.00 0.00 N ATOM 0 H LYS A 88 -14.033 0.975 7.106 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.179 2.246 5.351 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.567 3.008 6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.008 4.292 5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -16.094 1.544 4.609 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -17.643 2.272 4.986 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.165 2.813 2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -16.969 4.291 3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -14.498 3.999 3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -14.678 2.499 2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -14.301 4.840 1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.148 3.569 0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.999 4.826 1.560 1.00 0.00 H new ATOM 1405 N THR A 89 -13.694 4.791 7.401 1.00 0.00 N ATOM 1406 CA THR A 89 -12.842 5.894 7.809 1.00 0.00 C ATOM 1407 C THR A 89 -11.375 5.618 7.461 1.00 0.00 C ATOM 1408 O THR A 89 -10.864 6.162 6.485 1.00 0.00 O ATOM 1409 CB THR A 89 -13.074 6.132 9.313 1.00 0.00 C ATOM 1410 OG1 THR A 89 -14.462 6.085 9.602 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.489 7.471 9.768 1.00 0.00 C ATOM 0 H THR A 89 -14.476 4.668 8.044 1.00 0.00 H new ATOM 0 HA THR A 89 -13.097 6.804 7.266 1.00 0.00 H new ATOM 0 HB THR A 89 -12.561 5.341 9.860 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.602 6.235 10.560 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.672 7.604 10.834 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.415 7.482 9.580 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.963 8.282 9.215 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.730 4.703 8.195 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.324 4.385 7.991 1.00 0.00 C ATOM 1421 C GLU A 90 -9.068 3.869 6.571 1.00 0.00 C ATOM 1422 O GLU A 90 -8.069 4.212 5.937 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.868 3.410 9.081 1.00 0.00 C ATOM 1424 CG GLU A 90 -7.344 3.419 9.189 1.00 0.00 C ATOM 1425 CD GLU A 90 -6.854 2.697 10.431 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -6.865 3.309 11.525 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -6.473 1.521 10.312 1.00 0.00 O ATOM 0 H GLU A 90 -11.172 4.168 8.942 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.723 5.290 8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.310 3.689 10.038 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.218 2.404 8.850 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.916 2.948 8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.988 4.449 9.205 1.00 0.00 H new ATOM 1434 N ARG A 91 -10.014 3.072 6.066 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.005 2.527 4.714 1.00 0.00 C ATOM 1436 C ARG A 91 -9.937 3.625 3.651 1.00 0.00 C ATOM 1437 O ARG A 91 -9.492 3.350 2.544 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.238 1.625 4.502 1.00 0.00 C ATOM 1439 CG ARG A 91 -11.017 0.518 3.463 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.339 -0.158 3.050 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.227 -0.503 4.180 1.00 0.00 N ATOM 1442 CZ ARG A 91 -13.054 -1.524 5.035 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -11.940 -2.251 4.978 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -13.993 -1.811 5.947 1.00 0.00 N ATOM 0 H ARG A 91 -10.829 2.782 6.606 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.103 1.926 4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.513 1.169 5.453 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.080 2.242 4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.534 0.939 2.581 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.338 -0.231 3.870 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.876 0.505 2.371 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.110 -1.067 2.493 1.00 0.00 H new ATOM 0 HE ARG A 91 -14.046 0.088 4.323 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.223 -2.031 4.287 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.804 -3.027 5.625 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.845 -1.253 5.995 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.855 -2.588 6.594 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.390 4.842 3.964 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.349 5.965 3.054 1.00 0.00 C ATOM 1460 C GLU A 92 -9.167 6.872 3.412 1.00 0.00 C ATOM 1461 O GLU A 92 -8.470 7.344 2.524 1.00 0.00 O ATOM 1462 CB GLU A 92 -11.708 6.677 3.119 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.010 7.427 1.812 1.00 0.00 C ATOM 1464 CD GLU A 92 -12.271 6.463 0.662 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -13.172 5.614 0.842 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -11.574 6.591 -0.360 1.00 0.00 O ATOM 0 H GLU A 92 -10.799 5.067 4.871 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.187 5.648 2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.494 5.947 3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.713 7.379 3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.879 8.070 1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.170 8.075 1.561 1.00 0.00 H new ATOM 1473 N ASP A 93 -8.941 7.135 4.704 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.843 7.965 5.194 1.00 0.00 C ATOM 1475 C ASP A 93 -6.523 7.476 4.614 1.00 0.00 C ATOM 1476 O ASP A 93 -5.817 8.230 3.954 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.754 7.932 6.728 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.801 8.774 7.432 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -8.875 9.971 7.084 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -9.489 8.219 8.313 1.00 0.00 O ATOM 0 H ASP A 93 -9.530 6.768 5.451 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.038 8.990 4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.849 6.899 7.064 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.765 8.276 7.030 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.183 6.212 4.854 1.00 0.00 N ATOM 1486 CA LEU A 94 -4.923 5.643 4.397 1.00 0.00 C ATOM 1487 C LEU A 94 -4.807 5.806 2.887 1.00 0.00 C ATOM 1488 O LEU A 94 -3.804 6.302 2.370 1.00 0.00 O ATOM 1489 CB LEU A 94 -4.858 4.163 4.793 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.646 3.902 6.298 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.305 3.210 6.508 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.670 5.121 7.224 1.00 0.00 C ATOM 0 H LEU A 94 -6.772 5.558 5.369 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.089 6.165 4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.783 3.678 4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.048 3.689 4.239 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.508 3.296 6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.154 3.025 7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.296 2.262 5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.504 3.847 6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.509 4.799 8.253 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.881 5.815 6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.637 5.618 7.146 1.00 0.00 H new ATOM 1504 N ILE A 95 -5.870 5.441 2.175 1.00 0.00 N ATOM 1505 CA ILE A 95 -5.884 5.495 0.726 1.00 0.00 C ATOM 1506 C ILE A 95 -5.847 6.948 0.229 1.00 0.00 C ATOM 1507 O ILE A 95 -5.525 7.182 -0.934 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.074 4.669 0.202 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.033 3.224 0.745 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.112 4.650 -1.335 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -5.720 2.496 0.461 1.00 0.00 C ATOM 0 H ILE A 95 -6.739 5.102 2.589 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.982 5.040 0.316 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.982 5.152 0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.200 3.246 1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.854 2.657 0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.964 4.059 -1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.208 5.669 -1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.191 4.209 -1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.767 1.488 0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.560 2.442 -0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.896 3.039 0.924 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.102 7.936 1.098 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.142 9.336 0.721 1.00 0.00 C ATOM 1525 C ALA A 96 -4.757 9.927 0.944 1.00 0.00 C ATOM 1526 O ALA A 96 -4.254 10.674 0.106 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.216 10.052 1.538 1.00 0.00 C ATOM 0 H ALA A 96 -6.286 7.774 2.088 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.404 9.457 -0.330 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.247 11.104 1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.186 9.595 1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.982 9.968 2.599 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.101 9.533 2.040 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.693 9.816 2.218 1.00 0.00 C ATOM 1535 C TYR A 97 -1.934 9.325 1.003 1.00 0.00 C ATOM 1536 O TYR A 97 -1.266 10.113 0.349 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.111 9.152 3.467 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.583 9.125 3.499 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.140 10.218 2.986 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.119 7.964 3.873 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.542 10.206 2.938 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.525 7.945 3.800 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.237 9.077 3.384 1.00 0.00 C ATOM 1544 OH TYR A 97 3.598 9.069 3.410 1.00 0.00 O ATOM 0 H TYR A 97 -4.530 9.019 2.809 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.590 10.894 2.341 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.474 9.679 4.349 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.484 8.130 3.530 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.395 11.083 2.622 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.418 7.092 4.214 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.081 11.062 2.560 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.061 7.047 4.068 1.00 0.00 H new ATOM 0 HH TYR A 97 3.908 8.483 4.132 1.00 0.00 H new ATOM 1554 N LEU A 98 -1.998 8.031 0.706 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.144 7.481 -0.337 1.00 0.00 C ATOM 1556 C LEU A 98 -1.357 8.187 -1.667 1.00 0.00 C ATOM 1557 O LEU A 98 -0.415 8.362 -2.439 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.351 5.979 -0.464 1.00 0.00 C ATOM 1559 CG LEU A 98 -0.994 5.268 0.843 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.273 3.775 0.664 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.452 5.512 1.291 1.00 0.00 C ATOM 0 H LEU A 98 -2.616 7.359 1.160 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.108 7.655 -0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.389 5.771 -0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.735 5.590 -1.275 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.613 5.681 1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.026 3.246 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.328 3.627 0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.664 3.386 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.639 4.980 2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.137 5.151 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.610 6.579 1.445 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.580 8.661 -1.893 1.00 0.00 N ATOM 1574 CA LYS A 99 -2.918 9.386 -3.103 1.00 0.00 C ATOM 1575 C LYS A 99 -2.008 10.606 -3.232 1.00 0.00 C ATOM 1576 O LYS A 99 -1.495 10.906 -4.309 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.419 9.713 -3.090 1.00 0.00 C ATOM 1578 CG LYS A 99 -4.984 10.080 -4.467 1.00 0.00 C ATOM 1579 CD LYS A 99 -4.819 11.576 -4.772 1.00 0.00 C ATOM 1580 CE LYS A 99 -5.195 11.870 -6.228 1.00 0.00 C ATOM 1581 NZ LYS A 99 -4.810 13.241 -6.621 1.00 0.00 N ATOM 0 H LYS A 99 -3.358 8.551 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.744 8.784 -3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.965 8.854 -2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.595 10.541 -2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.478 9.495 -5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.041 9.815 -4.509 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.449 12.162 -4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.788 11.880 -4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.704 11.151 -6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.269 11.741 -6.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.079 13.407 -7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.298 13.927 -6.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.782 13.356 -6.518 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.779 11.283 -2.111 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.929 12.455 -2.033 1.00 0.00 C ATOM 1597 C LYS A 100 0.531 12.066 -1.808 1.00 0.00 C ATOM 1598 O LYS A 100 1.404 12.859 -2.117 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.448 13.466 -0.997 1.00 0.00 C ATOM 1600 CG LYS A 100 -1.110 13.144 0.469 1.00 0.00 C ATOM 1601 CD LYS A 100 -0.614 14.390 1.217 1.00 0.00 C ATOM 1602 CE LYS A 100 0.835 14.651 0.793 1.00 0.00 C ATOM 1603 NZ LYS A 100 1.467 15.775 1.507 1.00 0.00 N ATOM 0 H LYS A 100 -2.191 11.022 -1.215 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.969 12.964 -2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.041 14.448 -1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.531 13.537 -1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.993 12.746 0.968 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.346 12.368 0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.241 15.250 0.982 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.674 14.237 2.295 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.422 13.748 0.962 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.860 14.852 -0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.727 16.517 0.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.799 16.163 2.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.321 15.439 1.996 1.00 0.00 H new ATOM 1617 N ALA A 101 0.820 10.875 -1.272 1.00 0.00 N ATOM 1618 CA ALA A 101 2.186 10.420 -1.047 1.00 0.00 C ATOM 1619 C ALA A 101 2.905 10.315 -2.382 1.00 0.00 C ATOM 1620 O ALA A 101 4.067 10.690 -2.499 1.00 0.00 O ATOM 1621 CB ALA A 101 2.209 9.069 -0.332 1.00 0.00 C ATOM 0 H ALA A 101 0.109 10.203 -0.984 1.00 0.00 H new ATOM 0 HA ALA A 101 2.693 11.143 -0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.242 8.756 -0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.710 9.159 0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.692 8.327 -0.940 1.00 0.00 H new ATOM 1627 N THR A 102 2.183 9.842 -3.406 1.00 0.00 N ATOM 1628 CA THR A 102 2.713 9.835 -4.762 1.00 0.00 C ATOM 1629 C THR A 102 3.133 11.229 -5.234 1.00 0.00 C ATOM 1630 O THR A 102 3.922 11.339 -6.170 1.00 0.00 O ATOM 1631 CB THR A 102 1.722 9.202 -5.744 1.00 0.00 C ATOM 1632 OG1 THR A 102 0.537 9.961 -5.911 1.00 0.00 O ATOM 1633 CG2 THR A 102 1.372 7.785 -5.303 1.00 0.00 C ATOM 0 H THR A 102 1.240 9.464 -3.316 1.00 0.00 H new ATOM 0 HA THR A 102 3.613 9.221 -4.740 1.00 0.00 H new ATOM 0 HB THR A 102 2.221 9.179 -6.713 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.109 10.096 -5.040 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.667 7.348 -6.010 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.278 7.179 -5.272 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.921 7.814 -4.311 1.00 0.00 H new ATOM 1641 N ASN A 103 2.594 12.285 -4.613 1.00 0.00 N ATOM 1642 CA ASN A 103 2.957 13.657 -4.926 1.00 0.00 C ATOM 1643 C ASN A 103 3.145 14.460 -3.635 1.00 0.00 C ATOM 1644 O ASN A 103 2.405 15.420 -3.404 1.00 0.00 O ATOM 1645 CB ASN A 103 1.860 14.235 -5.831 1.00 0.00 C ATOM 1646 CG ASN A 103 2.202 15.615 -6.388 1.00 0.00 C ATOM 1647 OD1 ASN A 103 3.338 16.070 -6.331 1.00 0.00 O ATOM 1648 ND2 ASN A 103 1.213 16.287 -6.976 1.00 0.00 N ATOM 0 H ASN A 103 1.892 12.203 -3.878 1.00 0.00 H new ATOM 0 HA ASN A 103 3.908 13.706 -5.456 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.684 13.550 -6.660 1.00 0.00 H new ATOM 0 HB3 ASN A 103 0.929 14.299 -5.267 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.394 17.201 -7.391 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.275 15.887 -7.011 1.00 0.00 H new ATOM 1655 N GLU A 104 4.107 14.063 -2.786 1.00 0.00 N ATOM 1656 CA GLU A 104 4.556 14.866 -1.654 1.00 0.00 C ATOM 1657 C GLU A 104 6.069 15.047 -1.678 1.00 0.00 C ATOM 1658 O GLU A 104 6.720 14.289 -2.433 1.00 0.00 O ATOM 1659 CB GLU A 104 3.991 14.389 -0.301 1.00 0.00 C ATOM 1660 CG GLU A 104 4.708 13.367 0.613 1.00 0.00 C ATOM 1661 CD GLU A 104 4.254 13.502 2.068 1.00 0.00 C ATOM 1662 OE1 GLU A 104 3.404 14.375 2.374 1.00 0.00 O ATOM 1663 OE2 GLU A 104 4.738 12.753 2.942 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.536 15.959 -0.960 1.00 0.00 O ATOM 0 H GLU A 104 4.593 13.170 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 104 4.128 15.862 -1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.839 15.285 0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.005 13.975 -0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.505 12.356 0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.786 13.516 0.552 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.903 -3.062 2.886 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.718 -4.109 -0.410 1.00 0.00 C HETATM 1674 CHB HEC A 105 0.030 -0.508 1.663 1.00 0.00 C HETATM 1675 CHC HEC A 105 1.042 -2.364 6.114 1.00 0.00 C HETATM 1676 CHD HEC A 105 4.105 -5.532 4.078 1.00 0.00 C HETATM 1677 NA HEC A 105 1.405 -2.457 0.961 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.862 -3.005 -0.223 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.330 -2.185 -1.294 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.550 -1.200 -0.719 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.640 -1.354 0.717 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.300 -0.179 -1.446 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.642 -2.346 -2.769 1.00 0.00 C HETATM 1684 CBA HEC A 105 3.086 -1.992 -3.123 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.351 -2.088 -4.617 1.00 0.00 C HETATM 1686 O1A HEC A 105 3.412 -1.015 -5.254 1.00 0.00 O HETATM 1687 O2A HEC A 105 3.467 -3.236 -5.101 1.00 0.00 O HETATM 1688 NB HEC A 105 0.773 -1.672 3.738 1.00 0.00 N HETATM 1689 C1B HEC A 105 0.103 -0.704 3.056 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.542 0.129 4.045 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.302 -0.428 5.288 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.550 -1.566 5.081 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.280 1.410 3.748 1.00 0.00 C HETATM 1694 CAB HEC A 105 -0.845 0.003 6.637 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.349 -0.236 6.758 1.00 0.00 C HETATM 1696 NC HEC A 105 2.453 -3.822 4.752 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.964 -3.363 5.922 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.600 -4.080 6.996 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.567 -4.868 6.421 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.383 -4.785 4.993 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.314 -3.902 8.468 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.756 -5.498 7.111 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.420 -6.755 7.913 1.00 0.00 C HETATM 1704 ND HEC A 105 3.152 -4.583 1.996 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.948 -5.431 2.706 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.681 -6.248 1.776 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.270 -5.892 0.514 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.315 -4.806 0.653 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.773 -7.224 2.144 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.775 -6.505 -0.771 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.674 -7.189 -1.584 1.00 0.00 C HETATM 1712 CGD HEC A 105 3.394 -8.653 -1.246 1.00 0.00 C HETATM 1713 O1D HEC A 105 4.302 -9.379 -0.790 1.00 0.00 O HETATM 1714 O2D HEC A 105 2.240 -9.050 -1.507 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.585 -6.692 2.640 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 5.372 -7.982 2.817 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 6.151 -7.704 1.241 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.524 -2.872 8.758 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.266 -4.127 8.665 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.945 -4.577 9.046 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.599 2.122 3.282 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -2.109 1.204 3.071 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.666 1.831 4.676 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.334 0.428 -2.093 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -1.049 -0.692 -2.049 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.798 0.463 -0.720 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 2.751 -6.625 -1.453 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 3.939 -7.126 -2.640 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.694 -6.509 8.688 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.999 -7.509 7.248 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.327 -7.144 8.376 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.871 0.331 5.987 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.560 -1.298 6.633 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.691 0.088 7.741 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.305 -0.980 -2.781 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.763 -2.661 -2.592 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 5.238 -5.728 -1.379 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.552 -7.233 -0.538 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.445 -3.376 -3.065 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 0.968 -1.714 -3.347 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.840 -6.241 4.460 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.676 -2.185 7.125 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.533 0.350 1.295 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.927 -4.437 -1.428 1.00 0.00 H new HETATM 0 H2D HEC A 105 1.683 -8.988 -0.703 1.00 0.00 H new HETATM 0 H2A HEC A 105 4.417 -3.469 -5.166 1.00 0.00 H new